Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 1:45 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./PbClF.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 41 26 7 2151 1074 171 Max 42 27 8 2164 1095 176 Sum 1489 949 285 77557 38977 6269 bravais-lattice index = 14 lattice parameter (alat) = 7.7290 a.u. unit-cell volume = 813.9138 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.728979 celldm(2)= 1.000000 celldm(3)= 1.762836 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.762836 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.567268 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Pb 14.00 207.20000 Pb( 1.00) Cl 7.00 35.45300 Cl( 1.00) 4 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,1,0] -C2 -2 180 deg rotation - cart. axis [1,1,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,1,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,1,0] E Cartesian axes number of k points= 341 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0029326 k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0029326 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0029326 k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0029326 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0029326 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0029326 k( 8) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0029326 k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0029326 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0029326 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0029326 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0029326 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0029326 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0029326 k( 15) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0029326 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0029326 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0029326 k( 18) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0029326 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0029326 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0029326 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0029326 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0029326 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0029326 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0029326 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0029326 k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0029326 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0029326 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0029326 k( 29) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0029326 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0029326 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0029326 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0029326 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0029326 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0029326 k( 35) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0029326 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0029326 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0029326 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0029326 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0029326 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029326 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029326 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0029326 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0029326 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0029326 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0029326 k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0029326 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0029326 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0029326 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0029326 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0029326 k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0029326 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0029326 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0029326 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0029326 k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0029326 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0029326 k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0029326 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0029326 k( 59) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0029326 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0029326 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0029326 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0029326 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0029326 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0029326 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0029326 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0029326 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0029326 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0029326 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0029326 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0029326 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0029326 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0029326 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0029326 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0029326 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0029326 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0029326 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0029326 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0029326 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0029326 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029326 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029326 k( 82) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0029326 k( 83) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0029326 k( 84) = ( 0.4727273 0.4727273 -0.0000000), wk = 0.0029326 k( 85) = ( 0.4636364 0.4636364 -0.0000000), wk = 0.0029326 k( 86) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0029326 k( 87) = ( 0.4454546 0.4454545 -0.0000000), wk = 0.0029326 k( 88) = ( 0.4363636 0.4363636 -0.0000000), wk = 0.0029326 k( 89) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0029326 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0029326 k( 91) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0029326 k( 92) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0029326 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0029326 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0029326 k( 95) = ( 0.3727273 0.3727273 -0.0000000), wk = 0.0029326 k( 96) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0029326 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0029326 k( 98) = ( 0.3454546 0.3454545 -0.0000000), wk = 0.0029326 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0029326 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0029326 k( 101) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0029326 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0029326 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0029326 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0029326 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0029326 k( 106) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0029326 k( 107) = ( 0.2636364 0.2636364 -0.0000000), wk = 0.0029326 k( 108) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0029326 k( 109) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0029326 k( 110) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0029326 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0029326 k( 112) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0029326 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0029326 k( 114) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0029326 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0029326 k( 116) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0029326 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0029326 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0029326 k( 119) = ( 0.1545455 0.1545454 -0.0000000), wk = 0.0029326 k( 120) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0029326 k( 121) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0029326 k( 122) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0029326 k( 123) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0029326 k( 124) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0029326 k( 125) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0029326 k( 126) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0029326 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0029326 k( 128) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0029326 k( 129) = ( 0.0636364 0.0636364 -0.0000000), wk = 0.0029326 k( 130) = ( 0.0545455 0.0545454 -0.0000000), wk = 0.0029326 k( 131) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0029326 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0029326 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0029326 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0029326 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0029326 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 138) = ( 0.0000000 0.0000000 0.0128924), wk = 0.0029326 k( 139) = ( 0.0000000 0.0000000 0.0257849), wk = 0.0029326 k( 140) = ( 0.0000000 0.0000000 0.0386773), wk = 0.0029326 k( 141) = ( 0.0000000 0.0000000 0.0515698), wk = 0.0029326 k( 142) = ( 0.0000000 0.0000000 0.0644622), wk = 0.0029326 k( 143) = ( 0.0000000 0.0000000 0.0773547), wk = 0.0029326 k( 144) = ( 0.0000000 0.0000000 0.0902471), wk = 0.0029326 k( 145) = ( 0.0000000 0.0000000 0.1031396), wk = 0.0029326 k( 146) = ( 0.0000000 0.0000000 0.1160320), wk = 0.0029326 k( 147) = ( 0.0000000 0.0000000 0.1289245), wk = 0.0029326 k( 148) = ( 0.0000000 0.0000000 0.1418169), wk = 0.0029326 k( 149) = ( 0.0000000 0.0000000 0.1547094), wk = 0.0029326 k( 150) = ( 0.0000000 0.0000000 0.1676018), wk = 0.0029326 k( 151) = ( 0.0000000 0.0000000 0.1804943), wk = 0.0029326 k( 152) = ( 0.0000000 0.0000000 0.1933867), wk = 0.0029326 k( 153) = ( 0.0000000 0.0000000 0.2062792), wk = 0.0029326 k( 154) = ( 0.0000000 0.0000000 0.2191716), wk = 0.0029326 k( 155) = ( 0.0000000 0.0000000 0.2320641), wk = 0.0029326 k( 156) = ( 0.0000000 0.0000000 0.2449565), wk = 0.0029326 k( 157) = ( 0.0000000 0.0000000 0.2578489), wk = 0.0029326 k( 158) = ( 0.0000000 0.0000000 0.2707414), wk = 0.0029326 k( 159) = ( 0.0000000 0.0000000 0.2836338), wk = 0.0029326 k( 160) = ( 0.0000000 0.0000000 0.2836338), wk = 0.0029326 k( 161) = ( 0.0000000 0.0128205 0.2836338), wk = 0.0029326 k( 162) = ( 0.0000000 0.0256410 0.2836338), wk = 0.0029326 k( 163) = ( 0.0000000 0.0384615 0.2836338), wk = 0.0029326 k( 164) = ( 0.0000000 0.0512821 0.2836338), wk = 0.0029326 k( 165) = ( 0.0000000 0.0641026 0.2836338), wk = 0.0029326 k( 166) = ( 0.0000000 0.0769231 0.2836338), wk = 0.0029326 k( 167) = ( 0.0000000 0.0897436 0.2836338), wk = 0.0029326 k( 168) = ( 0.0000000 0.1025641 0.2836338), wk = 0.0029326 k( 169) = ( 0.0000000 0.1153846 0.2836338), wk = 0.0029326 k( 170) = ( 0.0000000 0.1282051 0.2836338), wk = 0.0029326 k( 171) = ( 0.0000000 0.1410256 0.2836338), wk = 0.0029326 k( 172) = ( 0.0000000 0.1538461 0.2836338), wk = 0.0029326 k( 173) = ( 0.0000000 0.1666667 0.2836338), wk = 0.0029326 k( 174) = ( 0.0000000 0.1794872 0.2836338), wk = 0.0029326 k( 175) = ( 0.0000000 0.1923077 0.2836338), wk = 0.0029326 k( 176) = ( 0.0000000 0.2051282 0.2836338), wk = 0.0029326 k( 177) = ( 0.0000000 0.2179487 0.2836338), wk = 0.0029326 k( 178) = ( 0.0000000 0.2307692 0.2836338), wk = 0.0029326 k( 179) = ( 0.0000000 0.2435897 0.2836338), wk = 0.0029326 k( 180) = ( 0.0000000 0.2564103 0.2836338), wk = 0.0029326 k( 181) = ( 0.0000000 0.2692308 0.2836338), wk = 0.0029326 k( 182) = ( 0.0000000 0.2820513 0.2836338), wk = 0.0029326 k( 183) = ( 0.0000000 0.2948718 0.2836338), wk = 0.0029326 k( 184) = ( 0.0000000 0.3076923 0.2836338), wk = 0.0029326 k( 185) = ( 0.0000000 0.3205128 0.2836338), wk = 0.0029326 k( 186) = ( 0.0000000 0.3333333 0.2836338), wk = 0.0029326 k( 187) = ( 0.0000000 0.3461538 0.2836338), wk = 0.0029326 k( 188) = ( 0.0000000 0.3589744 0.2836338), wk = 0.0029326 k( 189) = ( 0.0000000 0.3717949 0.2836338), wk = 0.0029326 k( 190) = ( 0.0000000 0.3846154 0.2836338), wk = 0.0029326 k( 191) = ( 0.0000000 0.3974359 0.2836338), wk = 0.0029326 k( 192) = ( 0.0000000 0.4102564 0.2836338), wk = 0.0029326 k( 193) = ( 0.0000000 0.4230769 0.2836338), wk = 0.0029326 k( 194) = ( 0.0000000 0.4358974 0.2836338), wk = 0.0029326 k( 195) = ( 0.0000000 0.4487179 0.2836338), wk = 0.0029326 k( 196) = ( 0.0000000 0.4615385 0.2836338), wk = 0.0029326 k( 197) = ( 0.0000000 0.4743590 0.2836338), wk = 0.0029326 k( 198) = ( 0.0000000 0.4871795 0.2836338), wk = 0.0029326 k( 199) = ( 0.0000000 0.5000000 0.2836338), wk = 0.0029326 k( 200) = ( 0.0000000 0.5000000 0.2836338), wk = 0.0029326 k( 201) = ( 0.0128205 0.5000000 0.2836338), wk = 0.0029326 k( 202) = ( 0.0256410 0.5000000 0.2836338), wk = 0.0029326 k( 203) = ( 0.0384615 0.5000000 0.2836338), wk = 0.0029326 k( 204) = ( 0.0512821 0.5000000 0.2836338), wk = 0.0029326 k( 205) = ( 0.0641026 0.5000000 0.2836338), wk = 0.0029326 k( 206) = ( 0.0769231 0.5000000 0.2836338), wk = 0.0029326 k( 207) = ( 0.0897436 0.5000000 0.2836338), wk = 0.0029326 k( 208) = ( 0.1025641 0.5000000 0.2836338), wk = 0.0029326 k( 209) = ( 0.1153846 0.5000000 0.2836338), wk = 0.0029326 k( 210) = ( 0.1282051 0.5000000 0.2836338), wk = 0.0029326 k( 211) = ( 0.1410256 0.5000000 0.2836338), wk = 0.0029326 k( 212) = ( 0.1538461 0.5000000 0.2836338), wk = 0.0029326 k( 213) = ( 0.1666667 0.5000000 0.2836338), wk = 0.0029326 k( 214) = ( 0.1794872 0.5000000 0.2836338), wk = 0.0029326 k( 215) = ( 0.1923077 0.5000000 0.2836338), wk = 0.0029326 k( 216) = ( 0.2051282 0.5000000 0.2836338), wk = 0.0029326 k( 217) = ( 0.2179487 0.5000000 0.2836338), wk = 0.0029326 k( 218) = ( 0.2307692 0.5000000 0.2836338), wk = 0.0029326 k( 219) = ( 0.2435897 0.5000000 0.2836338), wk = 0.0029326 k( 220) = ( 0.2564103 0.5000000 0.2836338), wk = 0.0029326 k( 221) = ( 0.2692308 0.5000000 0.2836338), wk = 0.0029326 k( 222) = ( 0.2820513 0.5000000 0.2836338), wk = 0.0029326 k( 223) = ( 0.2948718 0.5000000 0.2836338), wk = 0.0029326 k( 224) = ( 0.3076923 0.5000000 0.2836338), wk = 0.0029326 k( 225) = ( 0.3205128 0.5000000 0.2836338), wk = 0.0029326 k( 226) = ( 0.3333333 0.5000000 0.2836338), wk = 0.0029326 k( 227) = ( 0.3461538 0.5000000 0.2836338), wk = 0.0029326 k( 228) = ( 0.3589744 0.5000000 0.2836338), wk = 0.0029326 k( 229) = ( 0.3717949 0.5000000 0.2836338), wk = 0.0029326 k( 230) = ( 0.3846154 0.5000000 0.2836338), wk = 0.0029326 k( 231) = ( 0.3974359 0.5000000 0.2836338), wk = 0.0029326 k( 232) = ( 0.4102564 0.5000000 0.2836338), wk = 0.0029326 k( 233) = ( 0.4230769 0.5000000 0.2836338), wk = 0.0029326 k( 234) = ( 0.4358974 0.5000000 0.2836338), wk = 0.0029326 k( 235) = ( 0.4487179 0.5000000 0.2836338), wk = 0.0029326 k( 236) = ( 0.4615385 0.5000000 0.2836338), wk = 0.0029326 k( 237) = ( 0.4743590 0.5000000 0.2836338), wk = 0.0029326 k( 238) = ( 0.4871795 0.5000000 0.2836338), wk = 0.0029326 k( 239) = ( 0.5000000 0.5000000 0.2836338), wk = 0.0029326 k( 240) = ( 0.5000000 0.5000000 0.2836338), wk = 0.0029326 k( 241) = ( 0.4909091 0.4909091 0.2836338), wk = 0.0029326 k( 242) = ( 0.4818182 0.4818182 0.2836338), wk = 0.0029326 k( 243) = ( 0.4727273 0.4727273 0.2836338), wk = 0.0029326 k( 244) = ( 0.4636364 0.4636364 0.2836338), wk = 0.0029326 k( 245) = ( 0.4545455 0.4545454 0.2836338), wk = 0.0029326 k( 246) = ( 0.4454546 0.4454545 0.2836338), wk = 0.0029326 k( 247) = ( 0.4363636 0.4363636 0.2836338), wk = 0.0029326 k( 248) = ( 0.4272727 0.4272727 0.2836338), wk = 0.0029326 k( 249) = ( 0.4181818 0.4181818 0.2836338), wk = 0.0029326 k( 250) = ( 0.4090909 0.4090909 0.2836338), wk = 0.0029326 k( 251) = ( 0.4000000 0.4000000 0.2836338), wk = 0.0029326 k( 252) = ( 0.3909091 0.3909091 0.2836338), wk = 0.0029326 k( 253) = ( 0.3818182 0.3818182 0.2836338), wk = 0.0029326 k( 254) = ( 0.3727273 0.3727273 0.2836338), wk = 0.0029326 k( 255) = ( 0.3636364 0.3636364 0.2836338), wk = 0.0029326 k( 256) = ( 0.3545454 0.3545454 0.2836338), wk = 0.0029326 k( 257) = ( 0.3454546 0.3454545 0.2836338), wk = 0.0029326 k( 258) = ( 0.3363636 0.3363636 0.2836338), wk = 0.0029326 k( 259) = ( 0.3272727 0.3272727 0.2836338), wk = 0.0029326 k( 260) = ( 0.3181818 0.3181818 0.2836338), wk = 0.0029326 k( 261) = ( 0.3090909 0.3090909 0.2836338), wk = 0.0029326 k( 262) = ( 0.3000000 0.3000000 0.2836338), wk = 0.0029326 k( 263) = ( 0.2909091 0.2909091 0.2836338), wk = 0.0029326 k( 264) = ( 0.2818182 0.2818182 0.2836338), wk = 0.0029326 k( 265) = ( 0.2727273 0.2727273 0.2836338), wk = 0.0029326 k( 266) = ( 0.2636364 0.2636364 0.2836338), wk = 0.0029326 k( 267) = ( 0.2545455 0.2545455 0.2836338), wk = 0.0029326 k( 268) = ( 0.2454545 0.2454545 0.2836338), wk = 0.0029326 k( 269) = ( 0.2363636 0.2363636 0.2836338), wk = 0.0029326 k( 270) = ( 0.2272727 0.2272727 0.2836338), wk = 0.0029326 k( 271) = ( 0.2181818 0.2181818 0.2836338), wk = 0.0029326 k( 272) = ( 0.2090909 0.2090909 0.2836338), wk = 0.0029326 k( 273) = ( 0.2000000 0.2000000 0.2836338), wk = 0.0029326 k( 274) = ( 0.1909091 0.1909091 0.2836338), wk = 0.0029326 k( 275) = ( 0.1818182 0.1818182 0.2836338), wk = 0.0029326 k( 276) = ( 0.1727273 0.1727273 0.2836338), wk = 0.0029326 k( 277) = ( 0.1636364 0.1636364 0.2836338), wk = 0.0029326 k( 278) = ( 0.1545455 0.1545454 0.2836338), wk = 0.0029326 k( 279) = ( 0.1454545 0.1454545 0.2836338), wk = 0.0029326 k( 280) = ( 0.1363636 0.1363636 0.2836338), wk = 0.0029326 k( 281) = ( 0.1272727 0.1272727 0.2836338), wk = 0.0029326 k( 282) = ( 0.1181818 0.1181818 0.2836338), wk = 0.0029326 k( 283) = ( 0.1090909 0.1090909 0.2836338), wk = 0.0029326 k( 284) = ( 0.1000000 0.1000000 0.2836338), wk = 0.0029326 k( 285) = ( 0.0909091 0.0909091 0.2836338), wk = 0.0029326 k( 286) = ( 0.0818182 0.0818182 0.2836338), wk = 0.0029326 k( 287) = ( 0.0727273 0.0727273 0.2836338), wk = 0.0029326 k( 288) = ( 0.0636364 0.0636364 0.2836338), wk = 0.0029326 k( 289) = ( 0.0545455 0.0545454 0.2836338), wk = 0.0029326 k( 290) = ( 0.0454546 0.0454545 0.2836338), wk = 0.0029326 k( 291) = ( 0.0363636 0.0363636 0.2836338), wk = 0.0029326 k( 292) = ( 0.0272727 0.0272727 0.2836338), wk = 0.0029326 k( 293) = ( 0.0181818 0.0181818 0.2836338), wk = 0.0029326 k( 294) = ( 0.0090909 0.0090909 0.2836338), wk = 0.0029326 k( 295) = ( 0.0000000 0.0000000 0.2836338), wk = 0.0029326 k( 296) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029326 k( 297) = ( 0.0000000 0.5000000 0.0128924), wk = 0.0029326 k( 298) = ( 0.0000000 0.5000000 0.0257849), wk = 0.0029326 k( 299) = ( 0.0000000 0.5000000 0.0386773), wk = 0.0029326 k( 300) = ( 0.0000000 0.5000000 0.0515698), wk = 0.0029326 k( 301) = ( 0.0000000 0.5000000 0.0644622), wk = 0.0029326 k( 302) = ( 0.0000000 0.5000000 0.0773547), wk = 0.0029326 k( 303) = ( 0.0000000 0.5000000 0.0902471), wk = 0.0029326 k( 304) = ( 0.0000000 0.5000000 0.1031396), wk = 0.0029326 k( 305) = ( 0.0000000 0.5000000 0.1160320), wk = 0.0029326 k( 306) = ( 0.0000000 0.5000000 0.1289245), wk = 0.0029326 k( 307) = ( 0.0000000 0.5000000 0.1418169), wk = 0.0029326 k( 308) = ( 0.0000000 0.5000000 0.1547094), wk = 0.0029326 k( 309) = ( 0.0000000 0.5000000 0.1676018), wk = 0.0029326 k( 310) = ( 0.0000000 0.5000000 0.1804943), wk = 0.0029326 k( 311) = ( 0.0000000 0.5000000 0.1933867), wk = 0.0029326 k( 312) = ( 0.0000000 0.5000000 0.2062792), wk = 0.0029326 k( 313) = ( 0.0000000 0.5000000 0.2191716), wk = 0.0029326 k( 314) = ( 0.0000000 0.5000000 0.2320641), wk = 0.0029326 k( 315) = ( 0.0000000 0.5000000 0.2449565), wk = 0.0029326 k( 316) = ( 0.0000000 0.5000000 0.2578489), wk = 0.0029326 k( 317) = ( 0.0000000 0.5000000 0.2707414), wk = 0.0029326 k( 318) = ( 0.0000000 0.5000000 0.2836338), wk = 0.0029326 k( 319) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029326 k( 320) = ( 0.5000000 0.5000000 0.0128924), wk = 0.0029326 k( 321) = ( 0.5000000 0.5000000 0.0257849), wk = 0.0029326 k( 322) = ( 0.5000000 0.5000000 0.0386773), wk = 0.0029326 k( 323) = ( 0.5000000 0.5000000 0.0515698), wk = 0.0029326 k( 324) = ( 0.5000000 0.5000000 0.0644622), wk = 0.0029326 k( 325) = ( 0.5000000 0.5000000 0.0773547), wk = 0.0029326 k( 326) = ( 0.5000000 0.5000000 0.0902471), wk = 0.0029326 k( 327) = ( 0.5000000 0.5000000 0.1031396), wk = 0.0029326 k( 328) = ( 0.5000000 0.5000000 0.1160320), wk = 0.0029326 k( 329) = ( 0.5000000 0.5000000 0.1289245), wk = 0.0029326 k( 330) = ( 0.5000000 0.5000000 0.1418169), wk = 0.0029326 k( 331) = ( 0.5000000 0.5000000 0.1547094), wk = 0.0029326 k( 332) = ( 0.5000000 0.5000000 0.1676018), wk = 0.0029326 k( 333) = ( 0.5000000 0.5000000 0.1804943), wk = 0.0029326 k( 334) = ( 0.5000000 0.5000000 0.1933867), wk = 0.0029326 k( 335) = ( 0.5000000 0.5000000 0.2062792), wk = 0.0029326 k( 336) = ( 0.5000000 0.5000000 0.2191716), wk = 0.0029326 k( 337) = ( 0.5000000 0.5000000 0.2320641), wk = 0.0029326 k( 338) = ( 0.5000000 0.5000000 0.2449565), wk = 0.0029326 k( 339) = ( 0.5000000 0.5000000 0.2578489), wk = 0.0029326 k( 340) = ( 0.5000000 0.5000000 0.2707414), wk = 0.0029326 k( 341) = ( 0.5000000 0.5000000 0.2836338), wk = 0.0029326 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 2) = ( 0.0000000 0.0128205 0.0000000), wk = 0.0029326 k( 3) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0029326 k( 4) = ( 0.0000000 0.0384615 0.0000000), wk = 0.0029326 k( 5) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0029326 k( 6) = ( 0.0000000 0.0641026 0.0000000), wk = 0.0029326 k( 7) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0029326 k( 8) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0029326 k( 9) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0029326 k( 10) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0029326 k( 11) = ( 0.0000000 0.1282051 0.0000000), wk = 0.0029326 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0029326 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0029326 k( 14) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0029326 k( 15) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0029326 k( 16) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0029326 k( 17) = ( 0.0000000 0.2051282 0.0000000), wk = 0.0029326 k( 18) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0029326 k( 19) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0029326 k( 20) = ( 0.0000000 0.2435897 0.0000000), wk = 0.0029326 k( 21) = ( 0.0000000 0.2564103 0.0000000), wk = 0.0029326 k( 22) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0029326 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0029326 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0029326 k( 25) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0029326 k( 26) = ( 0.0000000 0.3205128 0.0000000), wk = 0.0029326 k( 27) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0029326 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0029326 k( 29) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0029326 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0029326 k( 31) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0029326 k( 32) = ( 0.0000000 0.3974359 0.0000000), wk = 0.0029326 k( 33) = ( 0.0000000 0.4102564 0.0000000), wk = 0.0029326 k( 34) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0029326 k( 35) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0029326 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0029326 k( 37) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0029326 k( 38) = ( 0.0000000 0.4743590 0.0000000), wk = 0.0029326 k( 39) = ( 0.0000000 0.4871795 0.0000000), wk = 0.0029326 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029326 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029326 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0029326 k( 43) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0029326 k( 44) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0029326 k( 45) = ( 0.0512821 0.5000000 0.0000000), wk = 0.0029326 k( 46) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0029326 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0029326 k( 48) = ( 0.0897436 0.5000000 0.0000000), wk = 0.0029326 k( 49) = ( 0.1025641 0.5000000 0.0000000), wk = 0.0029326 k( 50) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0029326 k( 51) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0029326 k( 52) = ( 0.1410256 0.5000000 0.0000000), wk = 0.0029326 k( 53) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0029326 k( 54) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0029326 k( 55) = ( 0.1794872 0.5000000 0.0000000), wk = 0.0029326 k( 56) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0029326 k( 57) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0029326 k( 58) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0029326 k( 59) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0029326 k( 60) = ( 0.2435897 0.5000000 0.0000000), wk = 0.0029326 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0029326 k( 62) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0029326 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0029326 k( 64) = ( 0.2948718 0.5000000 0.0000000), wk = 0.0029326 k( 65) = ( 0.3076923 0.5000000 0.0000000), wk = 0.0029326 k( 66) = ( 0.3205128 0.5000000 0.0000000), wk = 0.0029326 k( 67) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0029326 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0029326 k( 69) = ( 0.3589744 0.5000000 0.0000000), wk = 0.0029326 k( 70) = ( 0.3717949 0.5000000 0.0000000), wk = 0.0029326 k( 71) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0029326 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0029326 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0029326 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0029326 k( 75) = ( 0.4358974 0.5000000 0.0000000), wk = 0.0029326 k( 76) = ( 0.4487179 0.5000000 0.0000000), wk = 0.0029326 k( 77) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0029326 k( 78) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0029326 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0029326 k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029326 k( 81) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029326 k( 82) = ( 0.4909091 0.4909091 0.0000000), wk = 0.0029326 k( 83) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0029326 k( 84) = ( 0.4727273 0.4727273 0.0000000), wk = 0.0029326 k( 85) = ( 0.4636364 0.4636364 0.0000000), wk = 0.0029326 k( 86) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0029326 k( 87) = ( 0.4454546 0.4454546 0.0000000), wk = 0.0029326 k( 88) = ( 0.4363636 0.4363636 0.0000000), wk = 0.0029326 k( 89) = ( 0.4272727 0.4272727 0.0000000), wk = 0.0029326 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0029326 k( 91) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0029326 k( 92) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0029326 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0029326 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0029326 k( 95) = ( 0.3727273 0.3727273 0.0000000), wk = 0.0029326 k( 96) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0029326 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0029326 k( 98) = ( 0.3454546 0.3454546 0.0000000), wk = 0.0029326 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0029326 k( 100) = ( 0.3272727 0.3272727 0.0000000), wk = 0.0029326 k( 101) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0029326 k( 102) = ( 0.3090909 0.3090909 0.0000000), wk = 0.0029326 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0029326 k( 104) = ( 0.2909091 0.2909091 0.0000000), wk = 0.0029326 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0029326 k( 106) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0029326 k( 107) = ( 0.2636364 0.2636364 0.0000000), wk = 0.0029326 k( 108) = ( 0.2545455 0.2545455 0.0000000), wk = 0.0029326 k( 109) = ( 0.2454545 0.2454545 0.0000000), wk = 0.0029326 k( 110) = ( 0.2363636 0.2363636 0.0000000), wk = 0.0029326 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0029326 k( 112) = ( 0.2181818 0.2181818 0.0000000), wk = 0.0029326 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0029326 k( 114) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0029326 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0029326 k( 116) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0029326 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0029326 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0029326 k( 119) = ( 0.1545455 0.1545455 -0.0000000), wk = 0.0029326 k( 120) = ( 0.1454545 0.1454545 0.0000000), wk = 0.0029326 k( 121) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0029326 k( 122) = ( 0.1272727 0.1272727 0.0000000), wk = 0.0029326 k( 123) = ( 0.1181818 0.1181818 0.0000000), wk = 0.0029326 k( 124) = ( 0.1090909 0.1090909 0.0000000), wk = 0.0029326 k( 125) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0029326 k( 126) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0029326 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0029326 k( 128) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0029326 k( 129) = ( 0.0636364 0.0636364 0.0000000), wk = 0.0029326 k( 130) = ( 0.0545455 0.0545455 0.0000000), wk = 0.0029326 k( 131) = ( 0.0454546 0.0454546 -0.0000000), wk = 0.0029326 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0029326 k( 133) = ( 0.0272727 0.0272727 0.0000000), wk = 0.0029326 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0029326 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0029326 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029326 k( 138) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0029326 k( 139) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0029326 k( 140) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0029326 k( 141) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0029326 k( 142) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0029326 k( 143) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0029326 k( 144) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0029326 k( 145) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0029326 k( 146) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0029326 k( 147) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0029326 k( 148) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029326 k( 149) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0029326 k( 150) = ( 0.0000000 0.0000000 0.2954546), wk = 0.0029326 k( 151) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0029326 k( 152) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0029326 k( 153) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0029326 k( 154) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0029326 k( 155) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0029326 k( 156) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0029326 k( 157) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0029326 k( 158) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0029326 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 161) = ( 0.0000000 0.0128205 0.5000000), wk = 0.0029326 k( 162) = ( 0.0000000 0.0256410 0.5000000), wk = 0.0029326 k( 163) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0029326 k( 164) = ( 0.0000000 0.0512821 0.5000000), wk = 0.0029326 k( 165) = ( 0.0000000 0.0641026 0.5000000), wk = 0.0029326 k( 166) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0029326 k( 167) = ( 0.0000000 0.0897436 0.5000000), wk = 0.0029326 k( 168) = ( 0.0000000 0.1025641 0.5000000), wk = 0.0029326 k( 169) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0029326 k( 170) = ( 0.0000000 0.1282051 0.5000000), wk = 0.0029326 k( 171) = ( 0.0000000 0.1410256 0.5000000), wk = 0.0029326 k( 172) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0029326 k( 173) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0029326 k( 174) = ( 0.0000000 0.1794872 0.5000000), wk = 0.0029326 k( 175) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0029326 k( 176) = ( 0.0000000 0.2051282 0.5000000), wk = 0.0029326 k( 177) = ( 0.0000000 0.2179487 0.5000000), wk = 0.0029326 k( 178) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0029326 k( 179) = ( 0.0000000 0.2435897 0.5000000), wk = 0.0029326 k( 180) = ( 0.0000000 0.2564103 0.5000000), wk = 0.0029326 k( 181) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0029326 k( 182) = ( 0.0000000 0.2820513 0.5000000), wk = 0.0029326 k( 183) = ( 0.0000000 0.2948718 0.5000000), wk = 0.0029326 k( 184) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0029326 k( 185) = ( 0.0000000 0.3205128 0.5000000), wk = 0.0029326 k( 186) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0029326 k( 187) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0029326 k( 188) = ( 0.0000000 0.3589744 0.5000000), wk = 0.0029326 k( 189) = ( 0.0000000 0.3717949 0.5000000), wk = 0.0029326 k( 190) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0029326 k( 191) = ( 0.0000000 0.3974359 0.5000000), wk = 0.0029326 k( 192) = ( 0.0000000 0.4102564 0.5000000), wk = 0.0029326 k( 193) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0029326 k( 194) = ( 0.0000000 0.4358974 0.5000000), wk = 0.0029326 k( 195) = ( 0.0000000 0.4487179 0.5000000), wk = 0.0029326 k( 196) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0029326 k( 197) = ( 0.0000000 0.4743590 0.5000000), wk = 0.0029326 k( 198) = ( 0.0000000 0.4871795 0.5000000), wk = 0.0029326 k( 199) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029326 k( 200) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029326 k( 201) = ( 0.0128205 0.5000000 0.5000000), wk = 0.0029326 k( 202) = ( 0.0256410 0.5000000 0.5000000), wk = 0.0029326 k( 203) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0029326 k( 204) = ( 0.0512821 0.5000000 0.5000000), wk = 0.0029326 k( 205) = ( 0.0641026 0.5000000 0.5000000), wk = 0.0029326 k( 206) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0029326 k( 207) = ( 0.0897436 0.5000000 0.5000000), wk = 0.0029326 k( 208) = ( 0.1025641 0.5000000 0.5000000), wk = 0.0029326 k( 209) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0029326 k( 210) = ( 0.1282051 0.5000000 0.5000000), wk = 0.0029326 k( 211) = ( 0.1410256 0.5000000 0.5000000), wk = 0.0029326 k( 212) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0029326 k( 213) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0029326 k( 214) = ( 0.1794872 0.5000000 0.5000000), wk = 0.0029326 k( 215) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0029326 k( 216) = ( 0.2051282 0.5000000 0.5000000), wk = 0.0029326 k( 217) = ( 0.2179487 0.5000000 0.5000000), wk = 0.0029326 k( 218) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0029326 k( 219) = ( 0.2435897 0.5000000 0.5000000), wk = 0.0029326 k( 220) = ( 0.2564103 0.5000000 0.5000000), wk = 0.0029326 k( 221) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0029326 k( 222) = ( 0.2820513 0.5000000 0.5000000), wk = 0.0029326 k( 223) = ( 0.2948718 0.5000000 0.5000000), wk = 0.0029326 k( 224) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0029326 k( 225) = ( 0.3205128 0.5000000 0.5000000), wk = 0.0029326 k( 226) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0029326 k( 227) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0029326 k( 228) = ( 0.3589744 0.5000000 0.5000000), wk = 0.0029326 k( 229) = ( 0.3717949 0.5000000 0.5000000), wk = 0.0029326 k( 230) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0029326 k( 231) = ( 0.3974359 0.5000000 0.5000000), wk = 0.0029326 k( 232) = ( 0.4102564 0.5000000 0.5000000), wk = 0.0029326 k( 233) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0029326 k( 234) = ( 0.4358974 0.5000000 0.5000000), wk = 0.0029326 k( 235) = ( 0.4487179 0.5000000 0.5000000), wk = 0.0029326 k( 236) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0029326 k( 237) = ( 0.4743590 0.5000000 0.5000000), wk = 0.0029326 k( 238) = ( 0.4871795 0.5000000 0.5000000), wk = 0.0029326 k( 239) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029326 k( 240) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029326 k( 241) = ( 0.4909091 0.4909091 0.5000000), wk = 0.0029326 k( 242) = ( 0.4818182 0.4818182 0.5000000), wk = 0.0029326 k( 243) = ( 0.4727273 0.4727273 0.5000000), wk = 0.0029326 k( 244) = ( 0.4636364 0.4636364 0.5000000), wk = 0.0029326 k( 245) = ( 0.4545455 0.4545455 0.5000000), wk = 0.0029326 k( 246) = ( 0.4454546 0.4454546 0.5000000), wk = 0.0029326 k( 247) = ( 0.4363636 0.4363636 0.5000000), wk = 0.0029326 k( 248) = ( 0.4272727 0.4272727 0.5000000), wk = 0.0029326 k( 249) = ( 0.4181818 0.4181818 0.5000000), wk = 0.0029326 k( 250) = ( 0.4090909 0.4090909 0.5000000), wk = 0.0029326 k( 251) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0029326 k( 252) = ( 0.3909091 0.3909091 0.5000000), wk = 0.0029326 k( 253) = ( 0.3818182 0.3818182 0.5000000), wk = 0.0029326 k( 254) = ( 0.3727273 0.3727273 0.5000000), wk = 0.0029326 k( 255) = ( 0.3636364 0.3636364 0.5000000), wk = 0.0029326 k( 256) = ( 0.3545454 0.3545454 0.5000000), wk = 0.0029326 k( 257) = ( 0.3454546 0.3454546 0.5000000), wk = 0.0029326 k( 258) = ( 0.3363636 0.3363636 0.5000000), wk = 0.0029326 k( 259) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0029326 k( 260) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0029326 k( 261) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0029326 k( 262) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0029326 k( 263) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0029326 k( 264) = ( 0.2818182 0.2818182 0.5000000), wk = 0.0029326 k( 265) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0029326 k( 266) = ( 0.2636364 0.2636364 0.5000000), wk = 0.0029326 k( 267) = ( 0.2545455 0.2545455 0.5000000), wk = 0.0029326 k( 268) = ( 0.2454545 0.2454545 0.5000000), wk = 0.0029326 k( 269) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0029326 k( 270) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0029326 k( 271) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0029326 k( 272) = ( 0.2090909 0.2090909 0.5000000), wk = 0.0029326 k( 273) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0029326 k( 274) = ( 0.1909091 0.1909091 0.5000000), wk = 0.0029326 k( 275) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0029326 k( 276) = ( 0.1727273 0.1727273 0.5000000), wk = 0.0029326 k( 277) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0029326 k( 278) = ( 0.1545455 0.1545455 0.5000000), wk = 0.0029326 k( 279) = ( 0.1454545 0.1454545 0.5000000), wk = 0.0029326 k( 280) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0029326 k( 281) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0029326 k( 282) = ( 0.1181818 0.1181818 0.5000000), wk = 0.0029326 k( 283) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0029326 k( 284) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0029326 k( 285) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0029326 k( 286) = ( 0.0818182 0.0818182 0.5000000), wk = 0.0029326 k( 287) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0029326 k( 288) = ( 0.0636364 0.0636364 0.5000000), wk = 0.0029326 k( 289) = ( 0.0545455 0.0545455 0.5000000), wk = 0.0029326 k( 290) = ( 0.0454546 0.0454546 0.5000000), wk = 0.0029326 k( 291) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0029326 k( 292) = ( 0.0272727 0.0272727 0.5000000), wk = 0.0029326 k( 293) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0029326 k( 294) = ( 0.0090909 0.0090909 0.5000000), wk = 0.0029326 k( 295) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029326 k( 296) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029326 k( 297) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0029326 k( 298) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0029326 k( 299) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0029326 k( 300) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0029326 k( 301) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0029326 k( 302) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0029326 k( 303) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0029326 k( 304) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0029326 k( 305) = ( 0.0000000 0.5000000 0.2045455), wk = 0.0029326 k( 306) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0029326 k( 307) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0029326 k( 308) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0029326 k( 309) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0029326 k( 310) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0029326 k( 311) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0029326 k( 312) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0029326 k( 313) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0029326 k( 314) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0029326 k( 315) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0029326 k( 316) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0029326 k( 317) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0029326 k( 318) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0029326 k( 319) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029326 k( 320) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0029326 k( 321) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0029326 k( 322) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0029326 k( 323) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0029326 k( 324) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0029326 k( 325) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0029326 k( 326) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0029326 k( 327) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0029326 k( 328) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0029326 k( 329) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0029326 k( 330) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0029326 k( 331) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0029326 k( 332) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0029326 k( 333) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0029326 k( 334) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0029326 k( 335) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0029326 k( 336) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0029326 k( 337) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0029326 k( 338) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0029326 k( 339) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0029326 k( 340) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0029326 k( 341) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029326 Dense grid: 77557 G-vectors FFT dimensions: ( 45, 45, 80) Smooth grid: 38977 G-vectors FFT dimensions: ( 36, 36, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 272, 68) NL pseudopotentials 0.34 Mb ( 136, 164) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2164) G-vector shells 0.01 Mb ( 1088) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.13 Mb ( 272, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.34 Mb ( 164, 2, 68) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./PbClF.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 5.3 secs Computing kpt #: 4 total cpu time spent up to now is 6.0 secs Computing kpt #: 5 total cpu time spent up to now is 6.6 secs Computing kpt #: 6 total cpu time spent up to now is 7.2 secs Computing kpt #: 7 total cpu time spent up to now is 7.9 secs Computing kpt #: 8 total cpu time spent up to now is 8.6 secs Computing kpt #: 9 total cpu time spent up to now is 9.2 secs Computing kpt #: 10 total cpu time spent up to now is 9.8 secs Computing kpt #: 11 total cpu time spent up to now is 10.3 secs Computing kpt #: 12 total cpu time spent up to now is 10.9 secs Computing kpt #: 13 total cpu time spent up to now is 11.4 secs Computing kpt #: 14 total cpu time spent up to now is 11.9 secs Computing kpt #: 15 total cpu time spent up to now is 12.4 secs Computing kpt #: 16 total cpu time spent up to now is 12.9 secs Computing kpt #: 17 total cpu time spent up to now is 13.5 secs Computing kpt #: 18 total cpu time spent up to now is 14.0 secs Computing kpt #: 19 total cpu time spent up to now is 14.4 secs Computing kpt #: 20 total cpu time spent up to now is 14.9 secs Computing kpt #: 21 total cpu time spent up to now is 15.4 secs Computing kpt #: 22 total cpu time spent up to now is 15.9 secs Computing kpt #: 23 total cpu time spent up to now is 16.4 secs Computing kpt #: 24 total cpu time spent up to now is 16.9 secs Computing kpt #: 25 total cpu time spent up to now is 17.4 secs Computing kpt #: 26 total cpu time spent up to now is 17.9 secs Computing kpt #: 27 total cpu time spent up to now is 18.4 secs Computing kpt #: 28 total cpu time spent up to now is 18.9 secs Computing kpt #: 29 total cpu time spent up to now is 19.4 secs Computing kpt #: 30 total cpu time spent up to now is 19.9 secs Computing kpt #: 31 total cpu time spent up to now is 20.4 secs Computing kpt #: 32 total cpu time spent up to now is 20.9 secs Computing kpt #: 33 total cpu time spent up to now is 21.4 secs Computing kpt #: 34 total cpu time spent up to now is 21.8 secs Computing kpt #: 35 total cpu time spent up to now is 22.3 secs Computing kpt #: 36 total cpu time spent up to now is 22.8 secs Computing kpt #: 37 total cpu time spent up to now is 23.3 secs Computing kpt #: 38 total cpu time spent up to now is 23.8 secs Computing kpt #: 39 total cpu time spent up to now is 24.3 secs Computing kpt #: 40 total cpu time spent up to now is 24.8 secs Computing kpt #: 41 total cpu time spent up to now is 25.3 secs Computing kpt #: 42 total cpu time spent up to now is 25.8 secs Computing kpt #: 43 total cpu time spent up to now is 26.3 secs Computing kpt #: 44 total cpu time spent up to now is 26.8 secs Computing kpt #: 45 total cpu time spent up to now is 27.3 secs Computing kpt #: 46 total cpu time spent up to now is 27.8 secs Computing kpt #: 47 total cpu time spent up to now is 28.4 secs Computing kpt #: 48 total cpu time spent up to now is 28.9 secs Computing kpt #: 49 total cpu time spent up to now is 29.4 secs Computing kpt #: 50 total cpu time spent up to now is 29.9 secs Computing kpt #: 51 total cpu time spent up to now is 30.4 secs Computing kpt #: 52 total cpu time spent up to now is 30.9 secs Computing kpt #: 53 total cpu time spent up to now is 31.4 secs Computing kpt #: 54 total cpu time spent up to now is 31.9 secs Computing kpt #: 55 total cpu time spent up to now is 32.4 secs Computing kpt #: 56 total cpu time spent up to now is 32.9 secs Computing kpt #: 57 total cpu time spent up to now is 33.4 secs Computing kpt #: 58 total cpu time spent up to now is 33.9 secs Computing kpt #: 59 total cpu time spent up to now is 34.4 secs Computing kpt #: 60 total cpu time spent up to now is 34.9 secs Computing kpt #: 61 total cpu time spent up to now is 35.4 secs Computing kpt #: 62 total cpu time spent up to now is 35.9 secs Computing kpt #: 63 total cpu time spent up to now is 36.4 secs Computing kpt #: 64 total cpu time spent up to now is 36.9 secs Computing kpt #: 65 total cpu time spent up to now is 37.4 secs Computing kpt #: 66 total cpu time spent up to now is 37.9 secs Computing kpt #: 67 total cpu time spent up to now is 38.4 secs Computing kpt #: 68 total cpu time spent up to now is 38.9 secs Computing kpt #: 69 total cpu time spent up to now is 39.4 secs Computing kpt #: 70 total cpu time spent up to now is 39.9 secs Computing kpt #: 71 total cpu time spent up to now is 40.4 secs Computing kpt #: 72 total cpu time spent up to now is 40.9 secs Computing kpt #: 73 total cpu time spent up to now is 41.4 secs Computing kpt #: 74 total cpu time spent up to now is 41.9 secs Computing kpt #: 75 total cpu time spent up to now is 42.5 secs Computing kpt #: 76 total cpu time spent up to now is 43.0 secs Computing kpt #: 77 total cpu time spent up to now is 43.5 secs Computing kpt #: 78 total cpu time spent up to now is 44.0 secs Computing kpt #: 79 total cpu time spent up to now is 44.5 secs Computing kpt #: 80 total cpu time spent up to now is 45.0 secs Computing kpt #: 81 total cpu time spent up to now is 45.5 secs Computing kpt #: 82 total cpu time spent up to now is 46.0 secs Computing kpt #: 83 total cpu time spent up to now is 46.5 secs Computing kpt #: 84 total cpu time spent up to now is 47.1 secs Computing kpt #: 85 total cpu time spent up to now is 47.6 secs Computing kpt #: 86 total cpu time spent up to now is 48.1 secs Computing kpt #: 87 total cpu time spent up to now is 48.6 secs Computing kpt #: 88 total cpu time spent up to now is 49.1 secs Computing kpt #: 89 total cpu time spent up to now is 49.6 secs Computing kpt #: 90 total cpu time spent up to now is 50.1 secs Computing kpt #: 91 total cpu time spent up to now is 50.7 secs Computing kpt #: 92 total cpu time spent up to now is 51.2 secs Computing kpt #: 93 total cpu time spent up to now is 51.7 secs Computing kpt #: 94 total cpu time spent up to now is 52.2 secs Computing kpt #: 95 total cpu time spent up to now is 52.8 secs Computing kpt #: 96 total cpu time spent up to now is 53.3 secs Computing kpt #: 97 total cpu time spent up to now is 53.8 secs Computing kpt #: 98 total cpu time spent up to now is 54.4 secs Computing kpt #: 99 total cpu time spent up to now is 54.9 secs Computing kpt #: 100 total cpu time spent up to now is 55.4 secs Computing kpt #: 101 total cpu time spent up to now is 55.9 secs Computing kpt #: 102 total cpu time spent up to now is 56.4 secs Computing kpt #: 103 total cpu time spent up to now is 56.9 secs Computing kpt #: 104 total cpu time spent up to now is 57.4 secs Computing kpt #: 105 total cpu time spent up to now is 57.9 secs Computing kpt #: 106 total cpu time spent up to now is 58.4 secs Computing kpt #: 107 total cpu time spent up to now is 58.9 secs Computing kpt #: 108 total cpu time spent up to now is 59.4 secs Computing kpt #: 109 total cpu time spent up to now is 59.9 secs Computing kpt #: 110 total cpu time spent up to now is 60.4 secs Computing kpt #: 111 total cpu time spent up to now is 60.9 secs Computing kpt #: 112 total cpu time spent up to now is 61.4 secs Computing kpt #: 113 total cpu time spent up to now is 61.9 secs Computing kpt #: 114 total cpu time spent up to now is 62.3 secs Computing kpt #: 115 total cpu time spent up to now is 62.9 secs Computing kpt #: 116 total cpu time spent up to now is 63.4 secs Computing kpt #: 117 total cpu time spent up to now is 63.9 secs Computing kpt #: 118 total cpu time spent up to now is 64.4 secs Computing kpt #: 119 total cpu time spent up to now is 64.9 secs Computing kpt #: 120 total cpu time spent up to now is 65.4 secs Computing kpt #: 121 total cpu time spent up to now is 65.9 secs Computing kpt #: 122 total cpu time spent up to now is 66.4 secs Computing kpt #: 123 total cpu time spent up to now is 66.9 secs Computing kpt #: 124 total cpu time spent up to now is 67.4 secs Computing kpt #: 125 total cpu time spent up to now is 67.9 secs Computing kpt #: 126 total cpu time spent up to now is 68.5 secs Computing kpt #: 127 total cpu time spent up to now is 69.0 secs Computing kpt #: 128 total cpu time spent up to now is 69.7 secs Computing kpt #: 129 total cpu time spent up to now is 70.4 secs Computing kpt #: 130 total cpu time spent up to now is 71.0 secs Computing kpt #: 131 total cpu time spent up to now is 71.7 secs Computing kpt #: 132 total cpu time spent up to now is 72.3 secs Computing kpt #: 133 total cpu time spent up to now is 73.0 secs Computing kpt #: 134 total cpu time spent up to now is 73.6 secs Computing kpt #: 135 total cpu time spent up to now is 74.3 secs Computing kpt #: 136 total cpu time spent up to now is 74.9 secs Computing kpt #: 137 total cpu time spent up to now is 75.5 secs Computing kpt #: 138 total cpu time spent up to now is 76.2 secs Computing kpt #: 139 total cpu time spent up to now is 76.8 secs Computing kpt #: 140 total cpu time spent up to now is 77.5 secs Computing kpt #: 141 total cpu time spent up to now is 78.1 secs Computing kpt #: 142 total cpu time spent up to now is 78.7 secs Computing kpt #: 143 total cpu time spent up to now is 79.4 secs Computing kpt #: 144 total cpu time spent up to now is 80.0 secs Computing kpt #: 145 total cpu time spent up to now is 80.7 secs Computing kpt #: 146 total cpu time spent up to now is 81.3 secs Computing kpt #: 147 total cpu time spent up to now is 82.0 secs Computing kpt #: 148 total cpu time spent up to now is 82.6 secs Computing kpt #: 149 total cpu time spent up to now is 83.2 secs Computing kpt #: 150 total cpu time spent up to now is 83.9 secs Computing kpt #: 151 total cpu time spent up to now is 84.5 secs Computing kpt #: 152 total cpu time spent up to now is 85.2 secs Computing kpt #: 153 total cpu time spent up to now is 85.8 secs Computing kpt #: 154 total cpu time spent up to now is 86.5 secs Computing kpt #: 155 total cpu time spent up to now is 87.1 secs Computing kpt #: 156 total cpu time spent up to now is 87.8 secs Computing kpt #: 157 total cpu time spent up to now is 88.4 secs Computing kpt #: 158 total cpu time spent up to now is 89.1 secs Computing kpt #: 159 total cpu time spent up to now is 89.7 secs Computing kpt #: 160 total cpu time spent up to now is 90.4 secs Computing kpt #: 161 total cpu time spent up to now is 91.0 secs Computing kpt #: 162 total cpu time spent up to now is 91.7 secs Computing kpt #: 163 total cpu time spent up to now is 92.3 secs Computing kpt #: 164 total cpu time spent up to now is 93.0 secs Computing kpt #: 165 total cpu time spent up to now is 93.6 secs Computing kpt #: 166 total cpu time spent up to now is 94.3 secs Computing kpt #: 167 total cpu time spent up to now is 95.0 secs Computing kpt #: 168 total cpu time spent up to now is 95.6 secs Computing kpt #: 169 total cpu time spent up to now is 96.3 secs Computing kpt #: 170 total cpu time spent up to now is 96.8 secs Computing kpt #: 171 total cpu time spent up to now is 97.4 secs Computing kpt #: 172 total cpu time spent up to now is 97.9 secs Computing kpt #: 173 total cpu time spent up to now is 98.4 secs Computing kpt #: 174 total cpu time spent up to now is 98.9 secs Computing kpt #: 175 total cpu time spent up to now is 99.4 secs Computing kpt #: 176 total cpu time spent up to now is 99.9 secs Computing kpt #: 177 total cpu time spent up to now is 100.4 secs Computing kpt #: 178 total cpu time spent up to now is 100.9 secs Computing kpt #: 179 total cpu time spent up to now is 101.3 secs Computing kpt #: 180 total cpu time spent up to now is 101.8 secs Computing kpt #: 181 total cpu time spent up to now is 102.3 secs Computing kpt #: 182 total cpu time spent up to now is 102.8 secs Computing kpt #: 183 total cpu time spent up to now is 103.3 secs Computing kpt #: 184 total cpu time spent up to now is 103.8 secs Computing kpt #: 185 total cpu time spent up to now is 104.3 secs Computing kpt #: 186 total cpu time spent up to now is 104.8 secs Computing kpt #: 187 total cpu time spent up to now is 105.2 secs Computing kpt #: 188 total cpu time spent up to now is 105.7 secs Computing kpt #: 189 total cpu time spent up to now is 106.2 secs Computing kpt #: 190 total cpu time spent up to now is 106.7 secs Computing kpt #: 191 total cpu time spent up to now is 107.2 secs Computing kpt #: 192 total cpu time spent up to now is 107.7 secs Computing kpt #: 193 total cpu time spent up to now is 108.2 secs Computing kpt #: 194 total cpu time spent up to now is 108.6 secs Computing kpt #: 195 total cpu time spent up to now is 109.1 secs Computing kpt #: 196 total cpu time spent up to now is 109.6 secs Computing kpt #: 197 total cpu time spent up to now is 110.1 secs Computing kpt #: 198 total cpu time spent up to now is 110.6 secs Computing kpt #: 199 total cpu time spent up to now is 111.1 secs Computing kpt #: 200 total cpu time spent up to now is 111.6 secs Computing kpt #: 201 total cpu time spent up to now is 112.0 secs Computing kpt #: 202 total cpu time spent up to now is 112.5 secs Computing kpt #: 203 total cpu time spent up to now is 113.0 secs Computing kpt #: 204 total cpu time spent up to now is 113.5 secs Computing kpt #: 205 total cpu time spent up to now is 114.0 secs Computing kpt #: 206 total cpu time spent up to now is 114.5 secs Computing kpt #: 207 total cpu time spent up to now is 115.0 secs Computing kpt #: 208 total cpu time spent up to now is 115.5 secs Computing kpt #: 209 total cpu time spent up to now is 116.0 secs Computing kpt #: 210 total cpu time spent up to now is 116.5 secs Computing kpt #: 211 total cpu time spent up to now is 117.0 secs Computing kpt #: 212 total cpu time spent up to now is 117.5 secs Computing kpt #: 213 total cpu time spent up to now is 117.9 secs Computing kpt #: 214 total cpu time spent up to now is 118.4 secs Computing kpt #: 215 total cpu time spent up to now is 118.9 secs Computing kpt #: 216 total cpu time spent up to now is 119.4 secs Computing kpt #: 217 total cpu time spent up to now is 119.9 secs Computing kpt #: 218 total cpu time spent up to now is 120.4 secs Computing kpt #: 219 total cpu time spent up to now is 120.9 secs Computing kpt #: 220 total cpu time spent up to now is 121.4 secs Computing kpt #: 221 total cpu time spent up to now is 121.9 secs Computing kpt #: 222 total cpu time spent up to now is 122.4 secs Computing kpt #: 223 total cpu time spent up to now is 122.9 secs Computing kpt #: 224 total cpu time spent up to now is 123.4 secs Computing kpt #: 225 total cpu time spent up to now is 124.0 secs Computing kpt #: 226 total cpu time spent up to now is 124.5 secs Computing kpt #: 227 total cpu time spent up to now is 125.0 secs Computing kpt #: 228 total cpu time spent up to now is 125.5 secs Computing kpt #: 229 total cpu time spent up to now is 126.0 secs Computing kpt #: 230 total cpu time spent up to now is 126.5 secs Computing kpt #: 231 total cpu time spent up to now is 127.1 secs Computing kpt #: 232 total cpu time spent up to now is 127.6 secs Computing kpt #: 233 total cpu time spent up to now is 128.1 secs Computing kpt #: 234 total cpu time spent up to now is 128.6 secs Computing kpt #: 235 total cpu time spent up to now is 129.1 secs Computing kpt #: 236 total cpu time spent up to now is 129.6 secs Computing kpt #: 237 total cpu time spent up to now is 130.2 secs Computing kpt #: 238 total cpu time spent up to now is 130.7 secs Computing kpt #: 239 total cpu time spent up to now is 131.2 secs Computing kpt #: 240 total cpu time spent up to now is 131.7 secs Computing kpt #: 241 total cpu time spent up to now is 132.2 secs Computing kpt #: 242 total cpu time spent up to now is 132.7 secs Computing kpt #: 243 total cpu time spent up to now is 133.2 secs Computing kpt #: 244 total cpu time spent up to now is 133.7 secs Computing kpt #: 245 total cpu time spent up to now is 134.2 secs Computing kpt #: 246 total cpu time spent up to now is 134.8 secs Computing kpt #: 247 total cpu time spent up to now is 135.3 secs Computing kpt #: 248 total cpu time spent up to now is 135.8 secs Computing kpt #: 249 total cpu time spent up to now is 136.3 secs Computing kpt #: 250 total cpu time spent up to now is 136.8 secs Computing kpt #: 251 total cpu time spent up to now is 137.4 secs Computing kpt #: 252 total cpu time spent up to now is 137.9 secs Computing kpt #: 253 total cpu time spent up to now is 138.4 secs Computing kpt #: 254 total cpu time spent up to now is 138.9 secs Computing kpt #: 255 total cpu time spent up to now is 139.5 secs Computing kpt #: 256 total cpu time spent up to now is 140.0 secs Computing kpt #: 257 total cpu time spent up to now is 140.5 secs Computing kpt #: 258 total cpu time spent up to now is 141.0 secs Computing kpt #: 259 total cpu time spent up to now is 141.5 secs Computing kpt #: 260 total cpu time spent up to now is 142.0 secs Computing kpt #: 261 total cpu time spent up to now is 142.5 secs Computing kpt #: 262 total cpu time spent up to now is 143.0 secs Computing kpt #: 263 total cpu time spent up to now is 143.6 secs Computing kpt #: 264 total cpu time spent up to now is 144.0 secs Computing kpt #: 265 total cpu time spent up to now is 144.5 secs Computing kpt #: 266 total cpu time spent up to now is 145.0 secs Computing kpt #: 267 total cpu time spent up to now is 145.5 secs Computing kpt #: 268 total cpu time spent up to now is 146.0 secs Computing kpt #: 269 total cpu time spent up to now is 146.5 secs Computing kpt #: 270 total cpu time spent up to now is 147.0 secs Computing kpt #: 271 total cpu time spent up to now is 147.5 secs Computing kpt #: 272 total cpu time spent up to now is 148.0 secs Computing kpt #: 273 total cpu time spent up to now is 148.5 secs Computing kpt #: 274 total cpu time spent up to now is 149.0 secs Computing kpt #: 275 total cpu time spent up to now is 149.5 secs Computing kpt #: 276 total cpu time spent up to now is 150.0 secs Computing kpt #: 277 total cpu time spent up to now is 150.5 secs Computing kpt #: 278 total cpu time spent up to now is 151.0 secs Computing kpt #: 279 total cpu time spent up to now is 151.5 secs Computing kpt #: 280 total cpu time spent up to now is 152.1 secs Computing kpt #: 281 total cpu time spent up to now is 152.6 secs Computing kpt #: 282 total cpu time spent up to now is 153.1 secs Computing kpt #: 283 total cpu time spent up to now is 153.6 secs Computing kpt #: 284 total cpu time spent up to now is 154.1 secs Computing kpt #: 285 total cpu time spent up to now is 154.7 secs Computing kpt #: 286 total cpu time spent up to now is 155.2 secs Computing kpt #: 287 total cpu time spent up to now is 155.9 secs Computing kpt #: 288 total cpu time spent up to now is 156.6 secs Computing kpt #: 289 total cpu time spent up to now is 157.2 secs Computing kpt #: 290 total cpu time spent up to now is 157.9 secs Computing kpt #: 291 total cpu time spent up to now is 158.5 secs Computing kpt #: 292 total cpu time spent up to now is 159.2 secs Computing kpt #: 293 total cpu time spent up to now is 159.8 secs Computing kpt #: 294 total cpu time spent up to now is 160.5 secs Computing kpt #: 295 total cpu time spent up to now is 161.1 secs Computing kpt #: 296 total cpu time spent up to now is 161.6 secs Computing kpt #: 297 total cpu time spent up to now is 162.1 secs Computing kpt #: 298 total cpu time spent up to now is 162.7 secs Computing kpt #: 299 total cpu time spent up to now is 163.1 secs Computing kpt #: 300 total cpu time spent up to now is 163.6 secs Computing kpt #: 301 total cpu time spent up to now is 164.2 secs Computing kpt #: 302 total cpu time spent up to now is 164.7 secs Computing kpt #: 303 total cpu time spent up to now is 165.1 secs Computing kpt #: 304 total cpu time spent up to now is 165.6 secs Computing kpt #: 305 total cpu time spent up to now is 166.1 secs Computing kpt #: 306 total cpu time spent up to now is 166.6 secs Computing kpt #: 307 total cpu time spent up to now is 167.1 secs Computing kpt #: 308 total cpu time spent up to now is 167.6 secs Computing kpt #: 309 total cpu time spent up to now is 168.1 secs Computing kpt #: 310 total cpu time spent up to now is 168.6 secs Computing kpt #: 311 total cpu time spent up to now is 169.1 secs Computing kpt #: 312 total cpu time spent up to now is 169.6 secs Computing kpt #: 313 total cpu time spent up to now is 170.1 secs Computing kpt #: 314 total cpu time spent up to now is 170.5 secs Computing kpt #: 315 total cpu time spent up to now is 171.0 secs Computing kpt #: 316 total cpu time spent up to now is 171.5 secs Computing kpt #: 317 total cpu time spent up to now is 172.0 secs Computing kpt #: 318 total cpu time spent up to now is 172.5 secs Computing kpt #: 319 total cpu time spent up to now is 173.0 secs Computing kpt #: 320 total cpu time spent up to now is 173.5 secs Computing kpt #: 321 total cpu time spent up to now is 174.0 secs Computing kpt #: 322 total cpu time spent up to now is 174.5 secs Computing kpt #: 323 total cpu time spent up to now is 175.0 secs Computing kpt #: 324 total cpu time spent up to now is 175.5 secs Computing kpt #: 325 total cpu time spent up to now is 176.1 secs Computing kpt #: 326 total cpu time spent up to now is 176.6 secs Computing kpt #: 327 total cpu time spent up to now is 177.1 secs Computing kpt #: 328 total cpu time spent up to now is 177.6 secs Computing kpt #: 329 total cpu time spent up to now is 178.1 secs Computing kpt #: 330 total cpu time spent up to now is 178.6 secs Computing kpt #: 331 total cpu time spent up to now is 179.1 secs Computing kpt #: 332 total cpu time spent up to now is 179.6 secs Computing kpt #: 333 total cpu time spent up to now is 180.1 secs Computing kpt #: 334 total cpu time spent up to now is 180.6 secs Computing kpt #: 335 total cpu time spent up to now is 181.2 secs Computing kpt #: 336 total cpu time spent up to now is 181.7 secs Computing kpt #: 337 total cpu time spent up to now is 182.2 secs Computing kpt #: 338 total cpu time spent up to now is 182.7 secs Computing kpt #: 339 total cpu time spent up to now is 183.2 secs Computing kpt #: 340 total cpu time spent up to now is 183.7 secs Computing kpt #: 341 total cpu time spent up to now is 184.2 secs ethr = 1.79E-08, avg # of iterations = 15.1 total cpu time spent up to now is 184.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4863 PWs) bands (ev): -13.0841 -13.0841 -12.9993 -12.9993 -11.6935 -11.6935 -11.2339 -11.2339 -10.9989 -10.9989 -10.9987 -10.9987 -10.9474 -10.9474 -9.4680 -9.4680 -8.6103 -8.6103 -8.4576 -8.4576 -8.4393 -8.4393 -8.4136 -8.4136 -8.3942 -8.3942 -7.3716 -7.3716 -2.7946 -2.7946 -0.0068 -0.0068 0.1855 0.1855 1.5418 1.5418 3.0722 3.0722 3.6883 3.6883 3.9822 3.9822 5.1173 5.1173 5.1633 5.1633 5.2491 5.2491 5.2751 5.2751 5.3278 5.3278 5.3890 5.3890 5.4401 5.4401 8.4806 8.4806 9.7236 9.7236 10.1777 10.1777 10.9154 10.9154 12.7253 12.7253 13.5014 13.5014 k = 0.0000 0.0128-0.0000 ( 4861 PWs) bands (ev): -13.0840 -13.0840 -12.9993 -12.9993 -11.6932 -11.6932 -11.2340 -11.2340 -10.9989 -10.9989 -10.9987 -10.9987 -10.9469 -10.9469 -9.4686 -9.4686 -8.6102 -8.6102 -8.4576 -8.4576 -8.4393 -8.4393 -8.4134 -8.4134 -8.3941 -8.3941 -7.3720 -7.3720 -2.7947 -2.7947 -0.0057 -0.0057 0.1866 0.1866 1.5382 1.5382 3.0689 3.0689 3.6881 3.6881 3.9806 3.9806 5.1159 5.1159 5.1617 5.1617 5.2493 5.2493 5.2771 5.2771 5.3279 5.3279 5.3902 5.3902 5.4421 5.4421 8.4827 8.4827 9.7250 9.7250 10.1805 10.1805 10.9164 10.9164 12.7222 12.7222 13.5056 13.5056 k = 0.0000 0.0256-0.0000 ( 4873 PWs) bands (ev): -13.0837 -13.0837 -12.9993 -12.9993 -11.6926 -11.6926 -11.2343 -11.2343 -10.9989 -10.9989 -10.9986 -10.9986 -10.9454 -10.9454 -9.4703 -9.4703 -8.6097 -8.6097 -8.4576 -8.4576 -8.4395 -8.4395 -8.4128 -8.4128 -8.3937 -8.3937 -7.3732 -7.3732 -2.7952 -2.7952 -0.0022 -0.0022 0.1899 0.1899 1.5274 1.5274 3.0592 3.0592 3.6873 3.6873 3.9761 3.9761 5.1112 5.1112 5.1576 5.1576 5.2502 5.2502 5.2827 5.2827 5.3283 5.3283 5.3939 5.3939 5.4479 5.4479 8.4891 8.4891 9.7291 9.7291 10.1890 10.1890 10.9194 10.9194 12.7131 12.7131 13.5182 13.5182 k = 0.0000 0.0385-0.0000 ( 4865 PWs) bands (ev): -13.0832 -13.0832 -12.9993 -12.9993 -11.6914 -11.6914 -11.2350 -11.2350 -10.9990 -10.9990 -10.9983 -10.9983 -10.9428 -10.9428 -9.4731 -9.4731 -8.6090 -8.6090 -8.4576 -8.4576 -8.4398 -8.4398 -8.4117 -8.4117 -8.3931 -8.3931 -7.3752 -7.3752 -2.7960 -2.7960 0.0036 0.0036 0.1953 0.1953 1.5093 1.5093 3.0439 3.0439 3.6852 3.6852 3.9686 3.9686 5.1026 5.1026 5.1529 5.1529 5.2526 5.2526 5.2900 5.2900 5.3299 5.3299 5.4002 5.4002 5.4567 5.4567 8.4998 8.4998 9.7358 9.7358 10.2033 10.2033 10.9246 10.9246 12.6981 12.6981 13.5391 13.5391 k = 0.0000 0.0513-0.0000 ( 4871 PWs) bands (ev): -13.0825 -13.0825 -12.9992 -12.9992 -11.6899 -11.6899 -11.2359 -11.2359 -10.9991 -10.9991 -10.9979 -10.9979 -10.9391 -10.9391 -9.4770 -9.4770 -8.6079 -8.6079 -8.4576 -8.4576 -8.4401 -8.4401 -8.4104 -8.4104 -8.3922 -8.3922 -7.3780 -7.3780 -2.7969 -2.7969 0.0118 0.0118 0.2030 0.2030 1.4840 1.4840 3.0239 3.0239 3.6808 3.6808 3.9584 3.9584 5.0895 5.0895 5.1490 5.1490 5.2575 5.2575 5.2973 5.2973 5.3331 5.3331 5.4090 5.4090 5.4675 5.4675 8.5147 8.5147 9.7444 9.7444 10.2233 10.2233 10.9321 10.9321 12.6774 12.6774 13.5683 13.5683 k = 0.0000 0.0641-0.0000 ( 4869 PWs) bands (ev): -13.0816 -13.0816 -12.9992 -12.9992 -11.6878 -11.6878 -11.2370 -11.2370 -10.9993 -10.9993 -10.9974 -10.9974 -10.9344 -10.9344 -9.4820 -9.4820 -8.6066 -8.6066 -8.4578 -8.4578 -8.4403 -8.4403 -8.4087 -8.4087 -8.3910 -8.3910 -7.3816 -7.3816 -2.7979 -2.7979 0.0222 0.0222 0.2128 0.2128 1.4514 1.4514 3.0003 3.0003 3.6731 3.6731 3.9456 3.9456 5.0722 5.0722 5.1464 5.1464 5.2655 5.2655 5.3036 5.3036 5.3385 5.3385 5.4204 5.4204 5.4797 5.4797 8.5337 8.5337 9.7547 9.7547 10.2492 10.2492 10.9421 10.9421 12.6513 12.6513 13.6055 13.6055 k = 0.0000 0.0769-0.0000 ( 4877 PWs) bands (ev): -13.0806 -13.0806 -12.9991 -12.9991 -11.6854 -11.6854 -11.2384 -11.2384 -10.9994 -10.9994 -10.9968 -10.9968 -10.9287 -10.9287 -9.4881 -9.4881 -8.6050 -8.6050 -8.4581 -8.4581 -8.4404 -8.4404 -8.4068 -8.4068 -8.3894 -8.3894 -7.3861 -7.3861 -2.7988 -2.7988 0.0348 0.0348 0.2248 0.2248 1.4116 1.4116 2.9743 2.9743 3.6610 3.6610 3.9305 3.9305 5.0513 5.0513 5.1455 5.1455 5.2766 5.2766 5.3090 5.3090 5.3456 5.3456 5.4343 5.4343 5.4926 5.4926 8.5567 8.5567 9.7663 9.7663 10.2807 10.2807 10.9549 10.9549 12.6205 12.6205 13.6507 13.6507 k = 0.0000 0.0897-0.0000 ( 4873 PWs) bands (ev): -13.0793 -13.0793 -12.9990 -12.9990 -11.6825 -11.6825 -11.2402 -11.2402 -10.9996 -10.9996 -10.9962 -10.9962 -10.9218 -10.9218 -9.4953 -9.4953 -8.6032 -8.6032 -8.4587 -8.4587 -8.4403 -8.4403 -8.4047 -8.4047 -8.3875 -8.3875 -7.3914 -7.3914 -2.7995 -2.7995 0.0497 0.0497 0.2389 0.2389 1.3646 1.3646 2.9467 2.9467 3.6439 3.6439 3.9130 3.9130 5.0273 5.0273 5.1466 5.1466 5.2896 5.2896 5.3144 5.3144 5.3544 5.3544 5.4501 5.4501 5.5059 5.5059 8.5836 8.5836 9.7787 9.7787 10.3176 10.3176 10.9708 10.9708 12.5855 12.5855 13.7035 13.7035 k = 0.0000 0.1026-0.0000 ( 4877 PWs) bands (ev): -13.0779 -13.0779 -12.9989 -12.9989 -11.6792 -11.6792 -11.2422 -11.2422 -10.9997 -10.9997 -10.9955 -10.9955 -10.9139 -10.9139 -9.5035 -9.5035 -8.6011 -8.6011 -8.4594 -8.4594 -8.4398 -8.4398 -8.4025 -8.4025 -8.3851 -8.3851 -7.3976 -7.3976 -2.7998 -2.7998 0.0667 0.0667 0.2551 0.2551 1.3107 1.3107 2.9183 2.9183 3.6213 3.6213 3.8935 3.8935 5.0009 5.0009 5.1501 5.1501 5.3023 5.3023 5.3211 5.3211 5.3655 5.3655 5.4675 5.4675 5.5194 5.5194 8.6143 8.6143 9.7918 9.7918 10.3592 10.3592 10.9901 10.9901 12.5472 12.5472 13.7632 13.7632 k = 0.0000 0.1154-0.0000 ( 4885 PWs) bands (ev): -13.0763 -13.0763 -12.9988 -12.9988 -11.6755 -11.6755 -11.2446 -11.2446 -10.9998 -10.9998 -10.9948 -10.9948 -10.9048 -10.9048 -9.5128 -9.5128 -8.5989 -8.5989 -8.4605 -8.4605 -8.4391 -8.4391 -8.4004 -8.4004 -8.3821 -8.3821 -7.4048 -7.4048 -2.7995 -2.7995 0.0859 0.0859 0.2733 0.2733 1.2502 1.2502 2.8897 2.8897 3.5932 3.5932 3.8721 3.8721 4.9724 4.9724 5.1559 5.1559 5.3118 5.3118 5.3305 5.3305 5.3801 5.3801 5.4857 5.4857 5.5332 5.5332 8.6486 8.6486 9.8056 9.8056 10.4047 10.4047 11.0130 11.0130 12.5064 12.5064 13.7968 13.7968 k = 0.0000 0.1282-0.0000 ( 4899 PWs) bands (ev): -13.0746 -13.0746 -12.9987 -12.9987 -11.6714 -11.6714 -11.2473 -11.2473 -10.9998 -10.9998 -10.9940 -10.9940 -10.8946 -10.8946 -9.5231 -9.5231 -8.5964 -8.5964 -8.4618 -8.4618 -8.4382 -8.4382 -8.3984 -8.3984 -8.3786 -8.3786 -7.4129 -7.4129 -2.7984 -2.7984 0.1072 0.1072 0.2936 0.2936 1.1832 1.1832 2.8611 2.8611 3.5597 3.5597 3.8489 3.8489 4.9421 4.9421 5.1641 5.1641 5.3182 5.3182 5.3411 5.3411 5.3992 5.3992 5.5039 5.5039 5.5476 5.5476 8.6863 8.6863 9.8200 9.8200 10.4534 10.4534 11.0396 11.0396 12.4643 12.4643 13.7394 13.7394 k = 0.0000 0.1410-0.0000 ( 4891 PWs) bands (ev): -13.0727 -13.0727 -12.9986 -12.9986 -11.6668 -11.6668 -11.2503 -11.2503 -10.9998 -10.9998 -10.9932 -10.9932 -10.8833 -10.8833 -9.5344 -9.5344 -8.5939 -8.5939 -8.4632 -8.4632 -8.4369 -8.4369 -8.3965 -8.3965 -8.3743 -8.3743 -7.4220 -7.4220 -2.7962 -2.7962 0.1306 0.1306 0.3159 0.3159 1.1102 1.1102 2.8326 2.8326 3.5211 3.5211 3.8243 3.8243 4.9103 4.9103 5.1743 5.1743 5.3235 5.3235 5.3507 5.3507 5.4227 5.4227 5.5213 5.5213 5.5631 5.5631 8.7271 8.7271 9.8353 9.8353 10.5042 10.5042 11.0699 11.0699 12.4223 12.4223 13.6787 13.6787 k = 0.0000 0.1538-0.0000 ( 4887 PWs) bands (ev): -13.0707 -13.0707 -12.9985 -12.9985 -11.6620 -11.6620 -11.2537 -11.2537 -10.9998 -10.9998 -10.9924 -10.9924 -10.8708 -10.8708 -9.5468 -9.5468 -8.5912 -8.5912 -8.4648 -8.4648 -8.4355 -8.4355 -8.3947 -8.3947 -8.3693 -8.3693 -7.4321 -7.4321 -2.7927 -2.7927 0.1560 0.1560 0.3402 0.3402 1.0317 1.0317 2.8043 2.8043 3.4778 3.4778 3.7985 3.7985 4.8773 4.8773 5.1862 5.1862 5.3285 5.3285 5.3591 5.3591 5.4495 5.4495 5.5371 5.5371 5.5805 5.5805 8.7708 8.7708 9.8517 9.8517 10.5562 10.5562 11.1033 11.1033 12.3819 12.3819 13.6184 13.6184 k = 0.0000 0.1667-0.0000 ( 4875 PWs) bands (ev): -13.0686 -13.0686 -12.9985 -12.9985 -11.6567 -11.6567 -11.2574 -11.2574 -10.9997 -10.9997 -10.9917 -10.9917 -10.8571 -10.8571 -9.5600 -9.5600 -8.5884 -8.5884 -8.4666 -8.4666 -8.4338 -8.4338 -8.3931 -8.3931 -8.3635 -8.3635 -7.4431 -7.4431 -2.7877 -2.7877 0.1834 0.1834 0.3663 0.3663 0.9481 0.9481 2.7759 2.7759 3.4301 3.4301 3.7721 3.7721 4.8433 4.8433 5.1995 5.1995 5.3336 5.3336 5.3666 5.3666 5.4781 5.4781 5.5515 5.5515 5.5999 5.5999 8.8171 8.8171 9.8693 9.8693 10.6088 10.6088 11.1390 11.1390 12.3448 12.3448 13.5588 13.5588 k = 0.0000 0.1795-0.0000 ( 4875 PWs) bands (ev): -13.0664 -13.0664 -12.9984 -12.9984 -11.6511 -11.6511 -11.2615 -11.2615 -10.9996 -10.9996 -10.9909 -10.9909 -10.8423 -10.8423 -9.5743 -9.5743 -8.5855 -8.5855 -8.4685 -8.4685 -8.4320 -8.4320 -8.3916 -8.3916 -8.3571 -8.3571 -7.4552 -7.4552 -2.7811 -2.7811 0.2128 0.2128 0.3944 0.3944 0.8600 0.8600 2.7472 2.7472 3.3784 3.3784 3.7455 3.7455 4.8083 4.8083 5.2138 5.2138 5.3388 5.3388 5.3735 5.3735 5.5068 5.5068 5.5654 5.5654 5.6210 5.6210 8.8656 8.8656 9.8884 9.8884 10.6614 10.6614 11.1757 11.1757 12.3128 12.3128 13.5000 13.5000 k = 0.0000 0.1923-0.0000 ( 4871 PWs) bands (ev): -13.0641 -13.0641 -12.9983 -12.9983 -11.6452 -11.6452 -11.2659 -11.2659 -10.9995 -10.9995 -10.9903 -10.9903 -10.8263 -10.8263 -9.5895 -9.5895 -8.5826 -8.5826 -8.4704 -8.4704 -8.4301 -8.4301 -8.3903 -8.3903 -8.3500 -8.3500 -7.4683 -7.4683 -2.7724 -2.7724 0.2440 0.2440 0.4243 0.4243 0.7678 0.7678 2.7177 2.7177 3.3233 3.3233 3.7195 3.7195 4.7725 4.7725 5.2287 5.2287 5.3442 5.3442 5.3802 5.3802 5.5324 5.5324 5.5817 5.5817 5.6432 5.6432 8.9161 8.9161 9.9092 9.9092 10.7138 10.7138 11.2116 11.2116 12.2878 12.2878 13.4422 13.4422 k = 0.0000 0.2051-0.0000 ( 4873 PWs) bands (ev): -13.0618 -13.0618 -12.9983 -12.9983 -11.6389 -11.6389 -11.2706 -11.2706 -10.9993 -10.9993 -10.9896 -10.9896 -10.8092 -10.8092 -9.6057 -9.6057 -8.5797 -8.5797 -8.4725 -8.4725 -8.4280 -8.4280 -8.3890 -8.3890 -8.3423 -8.3423 -7.4824 -7.4824 -2.7616 -2.7616 0.2770 0.2770 0.4561 0.4561 0.6722 0.6722 2.6871 2.6871 3.2649 3.2649 3.6945 3.6945 4.7360 4.7360 5.2440 5.2440 5.3497 5.3497 5.3866 5.3866 5.5512 5.5512 5.6041 5.6041 5.6662 5.6662 8.9681 8.9681 9.9318 9.9318 10.7662 10.7662 11.2447 11.2447 12.2718 12.2718 13.3856 13.3856 k = 0.0000 0.2179-0.0000 ( 4877 PWs) bands (ev): -13.0593 -13.0593 -12.9982 -12.9982 -11.6323 -11.6323 -11.2757 -11.2757 -10.9991 -10.9991 -10.9890 -10.9890 -10.7910 -10.7910 -9.6227 -9.6227 -8.5767 -8.5767 -8.4745 -8.4745 -8.4259 -8.4259 -8.3879 -8.3879 -8.3339 -8.3339 -7.4976 -7.4976 -2.7485 -2.7485 0.3117 0.3117 0.4895 0.4895 0.5737 0.5737 2.6549 2.6549 3.2038 3.2038 3.6711 3.6711 4.6990 4.6990 5.2593 5.2593 5.3555 5.3555 5.3928 5.3928 5.5629 5.5629 5.6326 5.6326 5.6895 5.6895 9.0212 9.0212 9.9563 9.9563 10.8186 10.8186 11.2729 11.2729 12.2661 12.2661 13.3304 13.3304 k = 0.0000 0.2308-0.0000 ( 4875 PWs) bands (ev): -13.0569 -13.0569 -12.9982 -12.9982 -11.6255 -11.6255 -11.2810 -11.2810 -10.9988 -10.9988 -10.9884 -10.9884 -10.7717 -10.7717 -9.6407 -9.6407 -8.5738 -8.5738 -8.4766 -8.4766 -8.4237 -8.4237 -8.3868 -8.3868 -8.3248 -8.3248 -7.5137 -7.5137 -2.7328 -2.7328 0.3476 0.3476 0.4730 0.4730 0.5252 0.5252 2.6208 2.6208 3.1402 3.1402 3.6500 3.6500 4.6615 4.6615 5.2746 5.2746 5.3615 5.3615 5.3989 5.3989 5.5703 5.5703 5.6641 5.6641 5.7130 5.7130 9.0751 9.0751 9.9825 9.9825 10.8712 10.8712 11.2952 11.2952 12.2712 12.2712 13.2770 13.2770 k = 0.0000 0.2436-0.0000 ( 4871 PWs) bands (ev): -13.0543 -13.0543 -12.9983 -12.9983 -11.6184 -11.6184 -11.2867 -11.2867 -10.9986 -10.9986 -10.9879 -10.9879 -10.7512 -10.7512 -9.6595 -9.6595 -8.5709 -8.5709 -8.4788 -8.4788 -8.4215 -8.4215 -8.3858 -8.3858 -8.3150 -8.3150 -7.5309 -7.5309 -2.7144 -2.7144 0.3597 0.3597 0.3961 0.3961 0.5620 0.5620 2.5845 2.5845 3.0745 3.0745 3.6315 3.6315 4.6236 4.6236 5.2895 5.2895 5.3676 5.3676 5.4049 5.4049 5.5753 5.5753 5.6966 5.6966 5.7365 5.7365 9.1295 9.1295 10.0103 10.0103 10.9241 10.9241 11.3114 11.3114 12.2866 12.2866 13.2259 13.2259 k = 0.0000 0.2564-0.0000 ( 4875 PWs) bands (ev): -13.0518 -13.0518 -12.9983 -12.9983 -11.6110 -11.6110 -11.2926 -11.2926 -10.9983 -10.9983 -10.9875 -10.9875 -10.7298 -10.7298 -9.6792 -9.6792 -8.5680 -8.5680 -8.4809 -8.4809 -8.4192 -8.4192 -8.3849 -8.3849 -8.3045 -8.3045 -7.5489 -7.5489 -2.6931 -2.6931 0.2612 0.2612 0.4298 0.4298 0.6007 0.6007 2.5457 2.5457 3.0068 3.0068 3.6160 3.6160 4.5854 4.5854 5.3041 5.3041 5.3740 5.3740 5.4107 5.4107 5.5787 5.5787 5.7290 5.7290 5.7597 5.7597 9.1839 9.1839 10.0393 10.0393 10.9770 10.9770 11.3227 11.3227 12.3102 12.3102 13.1779 13.1779 k = 0.0000 0.2692-0.0000 ( 4877 PWs) bands (ev): -13.0493 -13.0493 -12.9984 -12.9984 -11.6034 -11.6034 -11.2988 -11.2988 -10.9979 -10.9979 -10.9871 -10.9871 -10.7073 -10.7073 -9.6997 -9.6997 -8.5651 -8.5651 -8.4831 -8.4831 -8.4169 -8.4169 -8.3840 -8.3840 -8.2934 -8.2934 -7.5679 -7.5679 -2.6689 -2.6689 0.1553 0.1553 0.4711 0.4711 0.6411 0.6411 2.5043 2.5043 2.9376 2.9376 3.6039 3.6039 4.5469 4.5469 5.3181 5.3181 5.3805 5.3805 5.4162 5.4162 5.5808 5.5808 5.7605 5.7605 5.7827 5.7827 9.2381 9.2381 10.0690 10.0690 11.0290 11.0290 11.3321 11.3321 12.3386 12.3386 13.1341 13.1341 k = 0.0000 0.2821-0.0000 ( 4875 PWs) bands (ev): -13.0467 -13.0467 -12.9986 -12.9986 -11.5956 -11.5956 -11.3053 -11.3053 -10.9976 -10.9976 -10.9868 -10.9868 -10.6838 -10.6838 -9.7211 -9.7211 -8.5623 -8.5623 -8.4852 -8.4852 -8.4146 -8.4146 -8.3832 -8.3832 -8.2817 -8.2817 -7.5877 -7.5877 -2.6415 -2.6415 0.0481 0.0481 0.5146 0.5146 0.6831 0.6831 2.4602 2.4602 2.8670 2.8670 3.5952 3.5952 4.5082 4.5082 5.3316 5.3316 5.3872 5.3872 5.4216 5.4216 5.5820 5.5820 5.7904 5.7904 5.8058 5.8058 9.2919 9.2919 10.0989 10.0989 11.0780 11.0780 11.3438 11.3438 12.3680 12.3680 13.0960 13.0960 k = 0.0000 0.2949-0.0000 ( 4867 PWs) bands (ev): -13.0441 -13.0441 -12.9988 -12.9988 -11.5875 -11.5875 -11.3120 -11.3120 -10.9972 -10.9972 -10.9865 -10.9865 -10.6594 -10.6594 -9.7433 -9.7433 -8.5595 -8.5595 -8.4874 -8.4874 -8.4124 -8.4124 -8.3825 -8.3825 -8.2692 -8.2692 -7.6083 -7.6083 -2.6109 -2.6109 -0.0599 -0.0599 0.5597 0.5597 0.7268 0.7268 2.4135 2.4135 2.7953 2.7953 3.5901 3.5901 4.4693 4.4693 5.3444 5.3444 5.3940 5.3940 5.4267 5.4267 5.5823 5.5823 5.8177 5.8177 5.8296 5.8296 9.3451 9.3451 10.1280 10.1280 11.1208 11.1208 11.3633 11.3633 12.3938 12.3938 13.0651 13.0651 k = 0.0000 0.3077-0.0000 ( 4854 PWs) bands (ev): -13.0416 -13.0416 -12.9990 -12.9990 -11.5793 -11.5793 -11.3190 -11.3190 -10.9968 -10.9968 -10.9863 -10.9863 -10.6341 -10.6341 -9.7663 -9.7663 -8.5568 -8.5568 -8.4896 -8.4896 -8.4101 -8.4101 -8.3819 -8.3819 -8.2561 -8.2561 -7.6296 -7.6296 -2.5770 -2.5770 -0.1681 -0.1681 0.6065 0.6065 0.7720 0.7720 2.3642 2.3642 2.7226 2.7226 3.5885 3.5885 4.4304 4.4304 5.3565 5.3565 5.4010 5.4010 5.4316 5.4316 5.5818 5.5818 5.8414 5.8414 5.8546 5.8546 9.3975 9.3975 10.1555 10.1555 11.1539 11.1539 11.3962 11.3962 12.4120 12.4120 13.0432 13.0432 k = 0.0000 0.3205-0.0000 ( 4856 PWs) bands (ev): -13.0391 -13.0391 -12.9993 -12.9993 -11.5709 -11.5709 -11.3262 -11.3262 -10.9964 -10.9964 -10.9862 -10.9862 -10.6080 -10.6080 -9.7901 -9.7901 -8.5542 -8.5542 -8.4917 -8.4917 -8.4079 -8.4079 -8.3814 -8.3814 -8.2423 -8.2423 -7.6516 -7.6516 -2.5398 -2.5398 -0.2764 -0.2764 0.6548 0.6548 0.8189 0.8189 2.3126 2.3126 2.6493 2.6493 3.5904 3.5904 4.3914 4.3914 5.3679 5.3679 5.4082 5.4082 5.4361 5.4361 5.5806 5.5806 5.8625 5.8625 5.8797 5.8797 9.4491 9.4491 10.1805 10.1805 11.1773 11.1773 11.4440 11.4440 12.4196 12.4196 13.0311 13.0311 k = 0.0000 0.3333-0.0000 ( 4856 PWs) bands (ev): -13.0367 -13.0367 -12.9996 -12.9996 -11.5624 -11.5624 -11.3337 -11.3337 -10.9959 -10.9959 -10.9861 -10.9861 -10.5811 -10.5811 -9.8146 -9.8146 -8.5515 -8.5515 -8.4939 -8.4939 -8.4057 -8.4057 -8.3809 -8.3809 -8.2278 -8.2278 -7.6741 -7.6741 -2.4991 -2.4991 -0.3843 -0.3843 0.7045 0.7045 0.8672 0.8672 2.2588 2.2588 2.5754 2.5754 3.5955 3.5955 4.3525 4.3525 5.3785 5.3785 5.4155 5.4155 5.4403 5.4403 5.5788 5.5788 5.8820 5.8820 5.9036 5.9036 9.4998 9.4998 10.2021 10.2021 11.1946 11.1946 11.5042 11.5042 12.4156 12.4156 13.0279 13.0279 k = 0.0000 0.3462-0.0000 ( 4856 PWs) bands (ev): -13.0342 -13.0342 -13.0001 -13.0001 -11.5537 -11.5537 -11.3413 -11.3413 -10.9955 -10.9955 -10.9861 -10.9861 -10.5534 -10.5534 -9.8399 -9.8399 -8.5490 -8.5490 -8.4960 -8.4960 -8.4035 -8.4035 -8.3806 -8.3806 -8.2127 -8.2127 -7.6972 -7.6972 -2.4550 -2.4550 -0.4917 -0.4917 0.7557 0.7557 0.9171 0.9171 2.2030 2.2030 2.5012 2.5012 3.6037 3.6037 4.3137 4.3137 5.3883 5.3883 5.4231 5.4231 5.4442 5.4442 5.5763 5.5763 5.9003 5.9003 5.9257 5.9257 9.5496 9.5496 10.2194 10.2194 11.2101 11.2101 11.5726 11.5726 12.4014 12.4014 13.0313 13.0313 k = 0.0000 0.3590-0.0000 ( 4856 PWs) bands (ev): -13.0319 -13.0319 -13.0005 -13.0005 -11.5449 -11.5449 -11.3491 -11.3491 -10.9950 -10.9950 -10.9862 -10.9862 -10.5251 -10.5251 -9.8659 -9.8659 -8.5465 -8.5465 -8.4982 -8.4982 -8.4015 -8.4015 -8.3803 -8.3803 -8.1969 -8.1969 -7.7206 -7.7206 -2.4074 -2.4074 -0.5984 -0.5984 0.8083 0.8083 0.9686 0.9686 2.1456 2.1456 2.4268 2.4268 3.6148 3.6148 4.2750 4.2750 5.3973 5.3973 5.4308 5.4308 5.4477 5.4477 5.5734 5.5734 5.9176 5.9176 5.9459 5.9459 9.5985 9.5985 10.2319 10.2319 11.2270 11.2270 11.6453 11.6453 12.3798 12.3798 13.0381 13.0381 k = 0.0000 0.3718-0.0000 ( 4854 PWs) bands (ev): -13.0296 -13.0296 -13.0011 -13.0011 -11.5360 -11.5360 -11.3571 -11.3571 -10.9945 -10.9945 -10.9863 -10.9863 -10.4961 -10.4961 -9.8925 -9.8925 -8.5440 -8.5440 -8.5003 -8.5003 -8.3995 -8.3995 -8.3802 -8.3802 -8.1804 -8.1804 -7.7444 -7.7444 -2.3564 -2.3564 -0.7040 -0.7040 0.8621 0.8621 1.0215 1.0215 2.0867 2.0867 2.3524 2.3524 3.6287 3.6287 4.2365 4.2365 5.4055 5.4055 5.4385 5.4385 5.4508 5.4508 5.5699 5.5699 5.9337 5.9337 5.9640 5.9640 9.6464 9.6464 10.2391 10.2391 11.2475 11.2475 11.7181 11.7181 12.3552 12.3552 13.0446 13.0446 k = 0.0000 0.3846-0.0000 ( 4864 PWs) bands (ev): -13.0274 -13.0274 -13.0017 -13.0017 -11.5270 -11.5270 -11.3652 -11.3652 -10.9940 -10.9940 -10.9864 -10.9864 -10.4666 -10.4666 -9.9198 -9.9198 -8.5416 -8.5416 -8.5024 -8.5024 -8.3976 -8.3976 -8.3801 -8.3801 -8.1634 -8.1634 -7.7684 -7.7684 -2.3019 -2.3019 -0.8084 -0.8084 0.9171 0.9171 1.0758 1.0758 2.0267 2.0267 2.2782 2.2782 3.6451 3.6451 4.1983 4.1983 5.4130 5.4130 5.4462 5.4462 5.4538 5.4538 5.5660 5.5660 5.9488 5.9488 5.9799 5.9799 9.6935 9.6935 10.2409 10.2409 11.2722 11.2722 11.7863 11.7863 12.3331 12.3331 13.0481 13.0481 k = 0.0000 0.3974-0.0000 ( 4860 PWs) bands (ev): -13.0252 -13.0252 -13.0024 -13.0024 -11.5179 -11.5179 -11.3736 -11.3736 -10.9935 -10.9935 -10.9866 -10.9866 -10.4367 -10.4367 -9.9478 -9.9478 -8.5392 -8.5392 -8.5045 -8.5045 -8.3957 -8.3957 -8.3801 -8.3801 -8.1456 -8.1456 -7.7925 -7.7925 -2.2440 -2.2440 -0.9114 -0.9114 0.9733 0.9733 1.1315 1.1315 1.9657 1.9657 2.2042 2.2042 3.6638 3.6638 4.1604 4.1604 5.4197 5.4197 5.4526 5.4526 5.4575 5.4575 5.5617 5.5617 5.9628 5.9628 5.9937 5.9937 9.7395 9.7395 10.2374 10.2374 11.3017 11.3017 11.8429 11.8429 12.3208 12.3208 13.0463 13.0463 k = 0.0000 0.4103-0.0000 ( 4858 PWs) bands (ev): -13.0231 -13.0231 -13.0032 -13.0032 -11.5088 -11.5088 -11.3820 -11.3820 -10.9930 -10.9930 -10.9868 -10.9868 -10.4063 -10.4063 -9.9763 -9.9763 -8.5369 -8.5369 -8.5066 -8.5066 -8.3939 -8.3939 -8.3803 -8.3803 -8.1272 -8.1272 -7.8168 -7.8168 -2.1827 -2.1827 -1.0128 -1.0128 1.0305 1.0305 1.1886 1.1886 1.9040 1.9040 2.1307 2.1307 3.6846 3.6846 4.1229 4.1229 5.4259 5.4259 5.4557 5.4557 5.4640 5.4640 5.5570 5.5570 5.9757 5.9757 6.0053 6.0053 9.7846 9.7846 10.2289 10.2289 11.3356 11.3356 11.8792 11.8792 12.3269 12.3269 13.0378 13.0378 k = 0.0000 0.4231-0.0000 ( 4848 PWs) bands (ev): -13.0211 -13.0211 -13.0040 -13.0040 -11.4996 -11.4996 -11.3906 -11.3906 -10.9925 -10.9925 -10.9871 -10.9871 -10.3755 -10.3755 -10.0053 -10.0053 -8.5346 -8.5346 -8.5087 -8.5087 -8.3922 -8.3922 -8.3805 -8.3805 -8.1082 -8.1082 -7.8410 -7.8410 -2.1181 -2.1181 -1.1124 -1.1124 1.0887 1.0887 1.2470 1.2470 1.8419 1.8419 2.0577 2.0577 3.7075 3.7075 4.0859 4.0859 5.4315 5.4315 5.4573 5.4573 5.4716 5.4716 5.5519 5.5519 5.9874 5.9874 6.0148 6.0148 9.8285 9.8285 10.2158 10.2158 11.3738 11.3738 11.8896 11.8896 12.3571 12.3571 13.0216 13.0216 k = 0.0000 0.4359-0.0000 ( 4848 PWs) bands (ev): -13.0192 -13.0192 -13.0050 -13.0050 -11.4904 -11.4904 -11.3993 -11.3993 -10.9920 -10.9920 -10.9874 -10.9874 -10.3445 -10.3445 -10.0348 -10.0348 -8.5323 -8.5323 -8.5108 -8.5108 -8.3907 -8.3907 -8.3809 -8.3809 -8.0886 -8.0886 -7.8651 -7.8651 -2.0502 -2.0502 -1.2101 -1.2101 1.1477 1.1477 1.3064 1.3064 1.7797 1.7797 1.9855 1.9855 3.7321 3.7321 4.0494 4.0494 5.4365 5.4365 5.4580 5.4580 5.4793 5.4793 5.5466 5.5466 5.9979 5.9979 6.0221 6.0221 9.8713 9.8713 10.1985 10.1985 11.4156 11.4156 11.8760 11.8760 12.4086 12.4086 12.9973 12.9973 k = 0.0000 0.4487-0.0000 ( 4852 PWs) bands (ev): -13.0174 -13.0174 -13.0060 -13.0060 -11.4811 -11.4811 -11.4082 -11.4082 -10.9915 -10.9915 -10.9878 -10.9878 -10.3133 -10.3133 -10.0648 -10.0648 -8.5301 -8.5301 -8.5130 -8.5130 -8.3892 -8.3892 -8.3813 -8.3813 -8.0684 -8.0684 -7.8891 -7.8891 -1.9791 -1.9791 -1.3057 -1.3057 1.2075 1.2075 1.3665 1.3665 1.7180 1.7180 1.9141 1.9141 3.7584 3.7584 4.0135 4.0135 5.4409 5.4409 5.4582 5.4582 5.4869 5.4869 5.5409 5.5409 6.0072 6.0072 6.0275 6.0275 9.9127 9.9127 10.1774 10.1774 11.4606 11.4606 11.8458 11.8458 12.4739 12.4739 12.9648 12.9648 k = 0.0000 0.4615-0.0000 ( 4854 PWs) bands (ev): -13.0156 -13.0156 -13.0071 -13.0071 -11.4719 -11.4719 -11.4171 -11.4171 -10.9910 -10.9910 -10.9882 -10.9882 -10.2820 -10.2820 -10.0951 -10.0951 -8.5279 -8.5279 -8.5151 -8.5151 -8.3878 -8.3878 -8.3819 -8.3819 -8.0477 -8.0477 -7.9129 -7.9129 -1.9048 -1.9048 -1.3990 -1.3990 1.2678 1.2678 1.4262 1.4262 1.6579 1.6579 1.8438 1.8438 3.7862 3.7862 3.9782 3.9782 5.4449 5.4449 5.4579 5.4579 5.4944 5.4944 5.5349 5.5349 6.0151 6.0151 6.0309 6.0309 9.9528 9.9528 10.1529 10.1529 11.5080 11.5080 11.8054 11.8054 12.5456 12.5456 12.9241 12.9241 k = 0.0000 0.4744-0.0000 ( 4854 PWs) bands (ev): -13.0140 -13.0140 -13.0083 -13.0083 -11.4627 -11.4627 -11.4261 -11.4261 -10.9905 -10.9905 -10.9886 -10.9886 -10.2506 -10.2506 -10.1258 -10.1258 -8.5257 -8.5257 -8.5172 -8.5172 -8.3866 -8.3866 -8.3826 -8.3826 -8.0263 -8.0263 -7.9363 -7.9363 -1.8276 -1.8276 -1.4900 -1.4900 1.3283 1.3283 1.4798 1.4798 1.6051 1.6051 1.7748 1.7748 3.8154 3.8154 3.9438 3.9438 5.4483 5.4483 5.4570 5.4570 5.5017 5.5017 5.5288 5.5288 6.0217 6.0217 6.0325 6.0325 9.9912 9.9912 10.1254 10.1254 11.5574 11.5574 11.7592 11.7592 12.6188 12.6188 12.8756 12.8756 k = 0.0000 0.4872-0.0000 ( 4850 PWs) bands (ev): -13.0124 -13.0124 -13.0096 -13.0096 -11.4535 -11.4535 -11.4351 -11.4351 -10.9900 -10.9900 -10.9890 -10.9890 -10.2192 -10.2192 -10.1568 -10.1568 -8.5236 -8.5236 -8.5193 -8.5193 -8.3854 -8.3854 -8.3835 -8.3835 -8.0045 -8.0045 -7.9595 -7.9595 -1.7473 -1.7473 -1.5784 -1.5784 1.3886 1.3886 1.4922 1.4922 1.5950 1.5950 1.7077 1.7077 3.8459 3.8459 3.9102 3.9102 5.4513 5.4513 5.4556 5.4556 5.5088 5.5088 5.5223 5.5223 6.0267 6.0267 6.0322 6.0322 10.0279 10.0279 10.0952 10.0952 11.6080 11.6080 11.7099 11.7099 12.6902 12.6902 12.8199 12.8199 k = 0.0000 0.5000-0.0000 ( 4866 PWs) bands (ev): -13.0110 -13.0110 -13.0110 -13.0110 -11.4443 -11.4443 -11.4443 -11.4443 -10.9895 -10.9895 -10.9895 -10.9895 -10.1879 -10.1879 -10.1879 -10.1879 -8.5214 -8.5214 -8.5214 -8.5214 -8.3844 -8.3844 -8.3844 -8.3844 -7.9822 -7.9822 -7.9822 -7.9822 -1.6643 -1.6643 -1.6642 -1.6642 1.4467 1.4467 1.4467 1.4467 1.6443 1.6443 1.6443 1.6443 3.8775 3.8775 3.8775 3.8775 5.4537 5.4537 5.4537 5.4537 5.5156 5.5156 5.5156 5.5156 6.0303 6.0303 6.0303 6.0303 10.0627 10.0627 10.0627 10.0627 11.6591 11.6591 11.6591 11.6591 12.7578 12.7578 12.7578 12.7578 k = 0.0000 0.5000-0.0000 ( 4866 PWs) bands (ev): -13.0110 -13.0110 -13.0110 -13.0110 -11.4443 -11.4443 -11.4443 -11.4443 -10.9895 -10.9895 -10.9895 -10.9895 -10.1879 -10.1879 -10.1879 -10.1879 -8.5214 -8.5214 -8.5214 -8.5214 -8.3844 -8.3844 -8.3844 -8.3844 -7.9822 -7.9822 -7.9822 -7.9822 -1.6643 -1.6643 -1.6642 -1.6642 1.4467 1.4467 1.4467 1.4467 1.6443 1.6443 1.6443 1.6443 3.8775 3.8775 3.8775 3.8775 5.4537 5.4537 5.4537 5.4537 5.5156 5.5156 5.5156 5.5156 6.0303 6.0303 6.0303 6.0303 10.0627 10.0627 10.0627 10.0627 11.6591 11.6591 11.6591 11.6591 12.7578 12.7578 12.7578 12.7578 k = 0.0128 0.5000-0.0000 ( 4854 PWs) bands (ev): -13.0110 -13.0110 -13.0109 -13.0109 -11.4474 -11.4474 -11.4413 -11.4413 -10.9901 -10.9901 -10.9887 -10.9887 -10.1941 -10.1941 -10.1812 -10.1812 -8.5221 -8.5221 -8.5204 -8.5204 -8.3845 -8.3845 -8.3842 -8.3842 -7.9842 -7.9842 -7.9797 -7.9797 -1.6687 -1.6687 -1.6654 -1.6654 1.3867 1.3867 1.4558 1.4558 1.6431 1.6431 1.7037 1.7037 3.8732 3.8732 3.8813 3.8813 5.4521 5.4521 5.4549 5.4549 5.5145 5.5145 5.5162 5.5162 6.0277 6.0277 6.0299 6.0299 10.0459 10.0459 10.0788 10.0788 11.6352 11.6352 11.6859 11.6859 12.7527 12.7527 12.7640 12.7640 k = 0.0256 0.5000-0.0000 ( 4854 PWs) bands (ev): -13.0110 -13.0110 -13.0108 -13.0108 -11.4507 -11.4507 -11.4386 -11.4386 -10.9906 -10.9906 -10.9876 -10.9876 -10.1998 -10.1998 -10.1739 -10.1739 -8.5224 -8.5224 -8.5191 -8.5191 -8.3847 -8.3847 -8.3841 -8.3841 -7.9856 -7.9856 -7.9765 -7.9765 -1.6787 -1.6787 -1.6721 -1.6721 1.3151 1.3151 1.4082 1.4082 1.7061 1.7061 1.7821 1.7821 3.8684 3.8684 3.8844 3.8844 5.4501 5.4501 5.4558 5.4558 5.5126 5.5126 5.5160 5.5160 6.0222 6.0222 6.0266 6.0266 10.0289 10.0289 10.0942 10.0942 11.6144 11.6144 11.7155 11.7155 12.7487 12.7487 12.7712 12.7712 k = 0.0385 0.5000-0.0000 ( 4852 PWs) bands (ev): -13.0110 -13.0110 -13.0108 -13.0108 -11.4542 -11.4542 -11.4362 -11.4362 -10.9908 -10.9908 -10.9863 -10.9863 -10.2048 -10.2048 -10.1662 -10.1662 -8.5225 -8.5225 -8.5174 -8.5174 -8.3849 -8.3849 -8.3840 -8.3840 -7.9864 -7.9864 -7.9729 -7.9729 -1.6942 -1.6942 -1.6843 -1.6843 1.2436 1.2436 1.3453 1.3453 1.7917 1.7917 1.8679 1.8679 3.8630 3.8630 3.8871 3.8871 5.4477 5.4477 5.4562 5.4562 5.5099 5.5099 5.5153 5.5153 6.0139 6.0139 6.0205 6.0205 10.0117 10.0117 10.1087 10.1087 11.5967 11.5967 11.7475 11.7475 12.7459 12.7459 12.7792 12.7792 k = 0.0513 0.5000-0.0000 ( 4848 PWs) bands (ev): -13.0110 -13.0110 -13.0107 -13.0107 -11.4578 -11.4578 -11.4340 -11.4340 -10.9909 -10.9909 -10.9849 -10.9849 -10.2091 -10.2091 -10.1581 -10.1581 -8.5222 -8.5222 -8.5153 -8.5153 -8.3850 -8.3850 -8.3839 -8.3839 -7.9866 -7.9866 -7.9686 -7.9686 -1.7152 -1.7152 -1.7019 -1.7019 1.1752 1.1752 1.2814 1.2814 1.8855 1.8855 1.9577 1.9577 3.8569 3.8569 3.8893 3.8893 5.4448 5.4448 5.4564 5.4564 5.5065 5.5065 5.5139 5.5139 6.0030 6.0030 6.0115 6.0115 9.9946 9.9946 10.1223 10.1223 11.5823 11.5823 11.7817 11.7817 12.7444 12.7444 12.7881 12.7881 k = 0.0641 0.5000-0.0000 ( 4848 PWs) bands (ev): -13.0110 -13.0110 -13.0106 -13.0106 -11.4614 -11.4614 -11.4322 -11.4322 -10.9907 -10.9907 -10.9832 -10.9832 -10.2128 -10.2128 -10.1497 -10.1497 -8.5216 -8.5216 -8.5130 -8.5130 -8.3852 -8.3852 -8.3838 -8.3838 -7.9861 -7.9861 -7.9639 -7.9639 -1.7415 -1.7415 -1.7248 -1.7248 1.1110 1.1110 1.2200 1.2200 1.9838 1.9838 2.0504 2.0504 3.8503 3.8503 3.8909 3.8909 5.4413 5.4413 5.4562 5.4562 5.5021 5.5021 5.5119 5.5119 5.9897 5.9897 6.0000 6.0000 9.9779 9.9779 10.1348 10.1348 11.5712 11.5712 11.8179 11.8179 12.7441 12.7441 12.7975 12.7975 k = 0.0769 0.5000-0.0000 ( 4848 PWs) bands (ev): -13.0110 -13.0110 -13.0105 -13.0105 -11.4651 -11.4651 -11.4307 -11.4307 -10.9905 -10.9905 -10.9813 -10.9813 -10.2157 -10.2157 -10.1410 -10.1410 -8.5207 -8.5207 -8.5103 -8.5103 -8.3854 -8.3854 -8.3837 -8.3837 -7.9851 -7.9851 -7.9586 -7.9586 -1.7731 -1.7731 -1.7529 -1.7529 1.0518 1.0518 1.1625 1.1625 2.0850 2.0850 2.1449 2.1449 3.8431 3.8431 3.8920 3.8920 5.4371 5.4371 5.4555 5.4555 5.4969 5.4969 5.5093 5.5093 5.9743 5.9743 5.9861 5.9861 9.9619 9.9619 10.1462 10.1462 11.5633 11.5633 11.8559 11.8559 12.7450 12.7450 12.8075 12.8075 k = 0.0897 0.5000-0.0000 ( 4840 PWs) bands (ev): -13.0110 -13.0110 -13.0103 -13.0103 -11.4688 -11.4688 -11.4296 -11.4296 -10.9900 -10.9900 -10.9792 -10.9792 -10.2179 -10.2179 -10.1320 -10.1320 -8.5195 -8.5195 -8.5073 -8.5073 -8.3857 -8.3857 -8.3836 -8.3836 -7.9834 -7.9834 -7.9528 -7.9528 -1.8096 -1.8096 -1.7858 -1.7858 0.9977 0.9977 1.1095 1.1095 2.1882 2.1882 2.2407 2.2407 3.8353 3.8353 3.8926 3.8926 5.4321 5.4321 5.4542 5.4542 5.4908 5.4908 5.5062 5.5062 5.9572 5.9572 5.9702 5.9702 9.9467 9.9467 10.1567 10.1567 11.5585 11.5585 11.8952 11.8952 12.7470 12.7470 12.8179 12.8179 k = 0.1026 0.5000-0.0000 ( 4848 PWs) bands (ev): -13.0109 -13.0109 -13.0102 -13.0102 -11.4725 -11.4725 -11.4288 -11.4288 -10.9895 -10.9895 -10.9770 -10.9770 -10.2193 -10.2193 -10.1229 -10.1229 -8.5181 -8.5181 -8.5040 -8.5040 -8.3859 -8.3859 -8.3836 -8.3836 -7.9811 -7.9811 -7.9465 -7.9465 -1.8508 -1.8508 -1.8235 -1.8235 0.9490 0.9490 1.0611 1.0611 2.2928 2.2928 2.3373 2.3373 3.8268 3.8268 3.8928 3.8928 5.4261 5.4261 5.4518 5.4518 5.4840 5.4840 5.5026 5.5026 5.9389 5.9389 5.9527 5.9527 9.9325 9.9325 10.1663 10.1663 11.5566 11.5566 11.9357 11.9357 12.7500 12.7500 12.8285 12.8285 k = 0.1154 0.5000-0.0000 ( 4836 PWs) bands (ev): -13.0109 -13.0109 -13.0101 -13.0101 -11.4762 -11.4762 -11.4284 -11.4284 -10.9888 -10.9888 -10.9746 -10.9746 -10.2199 -10.2199 -10.1136 -10.1136 -8.5164 -8.5164 -8.5004 -8.5004 -8.3862 -8.3862 -8.3835 -8.3835 -7.9780 -7.9780 -7.9397 -7.9397 -1.8964 -1.8964 -1.8655 -1.8655 0.9057 0.9057 1.0177 1.0177 2.3984 2.3984 2.4342 2.4342 3.8178 3.8178 3.8927 3.8927 5.4188 5.4188 5.4475 5.4475 5.4774 5.4774 5.4986 5.4986 5.9196 5.9196 5.9340 5.9340 9.9196 9.9196 10.1750 10.1750 11.5573 11.5573 11.9771 11.9771 12.7539 12.7539 12.8395 12.8395 k = 0.1282 0.5000-0.0000 ( 4852 PWs) bands (ev): -13.0108 -13.0108 -13.0100 -13.0100 -11.4797 -11.4797 -11.4283 -11.4283 -10.9880 -10.9880 -10.9722 -10.9722 -10.2198 -10.2198 -10.1043 -10.1043 -8.5145 -8.5145 -8.4965 -8.4965 -8.3865 -8.3865 -8.3834 -8.3834 -7.9744 -7.9744 -7.9324 -7.9324 -1.9461 -1.9461 -1.9117 -1.9117 0.8677 0.8677 0.9791 0.9791 2.5041 2.5041 2.5307 2.5307 3.8082 3.8082 3.8922 3.8922 5.4099 5.4099 5.4399 5.4399 5.4720 5.4720 5.4945 5.4945 5.9001 5.9001 5.9146 5.9146 9.9082 9.9082 10.1831 10.1831 11.5604 11.5604 12.0190 12.0190 12.7585 12.7585 12.8506 12.8506 k = 0.1410 0.5000-0.0000 ( 4856 PWs) bands (ev): -13.0107 -13.0107 -13.0098 -13.0098 -11.4832 -11.4832 -11.4287 -11.4287 -10.9871 -10.9871 -10.9696 -10.9696 -10.2188 -10.2188 -10.0950 -10.0950 -8.5124 -8.5124 -8.4924 -8.4924 -8.3868 -8.3868 -8.3834 -8.3834 -7.9700 -7.9700 -7.9247 -7.9247 -1.9994 -1.9994 -1.9617 -1.9617 0.8350 0.8350 0.9453 0.9453 2.6097 2.6097 2.6263 2.6263 3.7982 3.7982 3.8917 3.8917 5.3989 5.3989 5.4282 5.4282 5.4685 5.4685 5.4903 5.4903 5.8807 5.8807 5.8949 5.8949 9.8983 9.8983 10.1907 10.1907 11.5654 11.5654 12.0610 12.0610 12.7639 12.7639 12.8619 12.8619 k = 0.1538 0.5000-0.0000 ( 4856 PWs) bands (ev): -13.0107 -13.0107 -13.0097 -13.0097 -11.4866 -11.4866 -11.4293 -11.4293 -10.9861 -10.9861 -10.9669 -10.9669 -10.2170 -10.2170 -10.0858 -10.0858 -8.5100 -8.5100 -8.4882 -8.4882 -8.3872 -8.3872 -8.3833 -8.3833 -7.9650 -7.9650 -7.9166 -7.9166 -2.0560 -2.0560 -2.0150 -2.0150 0.8073 0.8073 0.9164 0.9164 2.7145 2.7145 2.7204 2.7204 3.7879 3.7879 3.8912 3.8912 5.3855 5.3855 5.4126 5.4126 5.4665 5.4665 5.4864 5.4864 5.8619 5.8619 5.8755 5.8755 9.8902 9.8902 10.1979 10.1979 11.5721 11.5721 12.1028 12.1028 12.7697 12.7697 12.8734 12.8734 k = 0.1667 0.5000-0.0000 ( 4858 PWs) bands (ev): -13.0106 -13.0106 -13.0095 -13.0095 -11.4899 -11.4899 -11.4304 -11.4304 -10.9850 -10.9850 -10.9643 -10.9643 -10.2145 -10.2145 -10.0766 -10.0766 -8.5075 -8.5075 -8.4837 -8.4837 -8.3876 -8.3876 -8.3833 -8.3833 -7.9593 -7.9593 -7.9081 -7.9081 -2.1154 -2.1154 -2.0712 -2.0712 0.7845 0.7845 0.8920 0.8920 2.8123 2.8123 2.8177 2.8177 3.7775 3.7775 3.8911 3.8911 5.3695 5.3695 5.3936 5.3936 5.4656 5.4656 5.4830 5.4830 5.8442 5.8442 5.8569 5.8569 9.8837 9.8837 10.2048 10.2048 11.5800 11.5800 12.1438 12.1438 12.7761 12.7761 12.8852 12.8852 k = 0.1795 0.5000-0.0000 ( 4858 PWs) bands (ev): -13.0105 -13.0105 -13.0094 -13.0094 -11.4930 -11.4930 -11.4318 -11.4318 -10.9838 -10.9838 -10.9616 -10.9616 -10.2111 -10.2111 -10.0676 -10.0676 -8.5048 -8.5048 -8.4791 -8.4791 -8.3880 -8.3880 -8.3833 -8.3833 -7.9529 -7.9529 -7.8992 -7.8992 -2.1770 -2.1770 -2.1301 -2.1301 0.7664 0.7664 0.8720 0.8720 2.9013 2.9013 2.9187 2.9187 3.7676 3.7676 3.8919 3.8919 5.3505 5.3505 5.3715 5.3715 5.4653 5.4653 5.4802 5.4802 5.8278 5.8278 5.8394 5.8394 9.8792 9.8792 10.2116 10.2116 11.5888 11.5888 12.1835 12.1835 12.7831 12.7831 12.8973 12.8973 k = 0.1923 0.5000-0.0000 ( 4866 PWs) bands (ev): -13.0103 -13.0103 -13.0093 -13.0093 -11.4960 -11.4960 -11.4334 -11.4334 -10.9826 -10.9826 -10.9589 -10.9589 -10.2070 -10.2070 -10.0589 -10.0589 -8.5019 -8.5019 -8.4744 -8.4744 -8.3884 -8.3884 -8.3832 -8.3832 -7.9458 -7.9458 -7.8899 -7.8899 -2.2405 -2.2405 -2.1910 -2.1910 0.7526 0.7526 0.8562 0.8562 2.9862 2.9862 3.0163 3.0163 3.7588 3.7588 3.8941 3.8941 5.3287 5.3287 5.3467 5.3467 5.4656 5.4656 5.4780 5.4780 5.8131 5.8131 5.8233 5.8233 9.8764 9.8764 10.2184 10.2184 11.5979 11.5979 12.2213 12.2213 12.7907 12.7907 12.9098 12.9098 k = 0.2051 0.5000-0.0000 ( 4862 PWs) bands (ev): -13.0102 -13.0102 -13.0091 -13.0091 -11.4988 -11.4988 -11.4354 -11.4354 -10.9812 -10.9812 -10.9563 -10.9563 -10.2022 -10.2022 -10.0504 -10.0504 -8.4989 -8.4989 -8.4697 -8.4697 -8.3888 -8.3888 -8.3832 -8.3832 -7.9380 -7.9380 -7.8803 -7.8803 -2.3053 -2.3053 -2.2536 -2.2536 0.7429 0.7429 0.8443 0.8443 3.0660 3.0660 3.1091 3.1091 3.7523 3.7523 3.8986 3.8986 5.3042 5.3042 5.3194 5.3194 5.4663 5.4663 5.4766 5.4766 5.8001 5.8001 5.8088 5.8088 9.8756 9.8756 10.2252 10.2252 11.6069 11.6069 12.2561 12.2561 12.7994 12.7994 12.9230 12.9230 k = 0.2179 0.5000-0.0000 ( 4854 PWs) bands (ev): -13.0101 -13.0101 -13.0090 -13.0090 -11.5014 -11.5014 -11.4376 -11.4376 -10.9798 -10.9798 -10.9538 -10.9538 -10.1966 -10.1966 -10.0422 -10.0422 -8.4958 -8.4958 -8.4649 -8.4649 -8.3893 -8.3893 -8.3832 -8.3832 -7.9296 -7.9296 -7.8705 -7.8705 -2.3710 -2.3710 -2.3175 -2.3175 0.7369 0.7369 0.8361 0.8361 3.1393 3.1393 3.1948 3.1948 3.7498 3.7498 3.9065 3.9065 5.2773 5.2773 5.2901 5.2901 5.4674 5.4674 5.4758 5.4758 5.7888 5.7888 5.7961 5.7961 9.8766 9.8766 10.2320 10.2320 11.6157 11.6157 12.2872 12.2872 12.8095 12.8095 12.9369 12.9369 k = 0.2308 0.5000-0.0000 ( 4864 PWs) bands (ev): -13.0100 -13.0100 -13.0088 -13.0088 -11.5038 -11.5038 -11.4401 -11.4401 -10.9784 -10.9784 -10.9514 -10.9514 -10.1904 -10.1904 -10.0344 -10.0344 -8.4926 -8.4926 -8.4601 -8.4601 -8.3898 -8.3898 -8.3832 -8.3832 -7.9206 -7.9206 -7.8604 -7.8604 -2.4372 -2.4372 -2.3821 -2.3821 0.7345 0.7345 0.8312 0.8312 3.2045 3.2045 3.2705 3.2705 3.7543 3.7543 3.9189 3.9189 5.2484 5.2484 5.2591 5.2591 5.4688 5.4688 5.4757 5.4757 5.7791 5.7791 5.7850 5.7850 9.8794 9.8794 10.2389 10.2389 11.6237 11.6237 12.3134 12.3134 12.8217 12.8217 12.9516 12.9516 k = 0.2436 0.5000-0.0000 ( 4868 PWs) bands (ev): -13.0098 -13.0098 -13.0087 -13.0087 -11.5060 -11.5060 -11.4428 -11.4428 -10.9769 -10.9769 -10.9492 -10.9492 -10.1836 -10.1836 -10.0270 -10.0270 -8.4893 -8.4893 -8.4555 -8.4555 -8.3903 -8.3903 -8.3832 -8.3832 -7.9110 -7.9110 -7.8502 -7.8502 -2.5033 -2.5033 -2.4471 -2.4471 0.7352 0.7352 0.8294 0.8294 3.2601 3.2601 3.3319 3.3319 3.7695 3.7695 3.9374 3.9374 5.2179 5.2179 5.2269 5.2269 5.4706 5.4706 5.4762 5.4762 5.7710 5.7710 5.7756 5.7756 9.8839 9.8839 10.2458 10.2458 11.6309 11.6309 12.3336 12.3336 12.8366 12.8366 12.9674 12.9674 k = 0.2564 0.5000-0.0000 ( 4864 PWs) bands (ev): -13.0097 -13.0097 -13.0085 -13.0085 -11.5080 -11.5080 -11.4457 -11.4457 -10.9753 -10.9753 -10.9471 -10.9471 -10.1762 -10.1762 -10.0201 -10.0201 -8.4858 -8.4858 -8.4509 -8.4509 -8.3909 -8.3909 -8.3832 -8.3832 -7.9008 -7.9008 -7.8398 -7.8398 -2.5689 -2.5689 -2.5121 -2.5121 0.7389 0.7389 0.8304 0.8304 3.3047 3.3047 3.3753 3.3753 3.7991 3.7991 3.9628 3.9628 5.1864 5.1864 5.1940 5.1940 5.4728 5.4728 5.4773 5.4773 5.7642 5.7642 5.7676 5.7676 9.8902 9.8902 10.2526 10.2526 11.6370 11.6370 12.3471 12.3471 12.8547 12.8547 12.9843 12.9843 k = 0.2692 0.5000-0.0000 ( 4858 PWs) bands (ev): -13.0095 -13.0095 -13.0084 -13.0084 -11.5098 -11.5098 -11.4488 -11.4488 -10.9737 -10.9737 -10.9451 -10.9451 -10.1682 -10.1682 -10.0137 -10.0137 -8.4824 -8.4824 -8.4464 -8.4464 -8.3914 -8.3914 -8.3833 -8.3833 -7.8901 -7.8901 -7.8294 -7.8294 -2.6337 -2.6337 -2.5766 -2.5766 0.7451 0.7451 0.8338 0.8338 3.3377 3.3377 3.3999 3.3999 3.8438 3.8438 3.9958 3.9958 5.1544 5.1544 5.1607 5.1607 5.4753 5.4753 5.4789 5.4789 5.7585 5.7585 5.7610 5.7610 9.8980 9.8980 10.2593 10.2593 11.6419 11.6419 12.3532 12.3532 12.8763 12.8763 13.0023 13.0023 k = 0.2821 0.5000-0.0000 ( 4862 PWs) bands (ev): -13.0094 -13.0094 -13.0082 -13.0082 -11.5114 -11.5114 -11.4520 -11.4520 -10.9720 -10.9720 -10.9434 -10.9434 -10.1598 -10.1598 -10.0079 -10.0079 -8.4789 -8.4789 -8.4421 -8.4421 -8.3920 -8.3920 -8.3833 -8.3833 -7.8790 -7.8790 -7.8189 -7.8189 -2.6972 -2.6972 -2.6403 -2.6403 0.7536 0.7536 0.8394 0.8394 3.3594 3.3594 3.4082 3.4082 3.9006 3.9006 4.0358 4.0358 5.1222 5.1222 5.1276 5.1276 5.4780 5.4780 5.4809 5.4809 5.7540 5.7540 5.7555 5.7555 9.9075 9.9075 10.2657 10.2657 11.6457 11.6457 12.3519 12.3519 12.9012 12.9012 13.0214 13.0214 k = 0.2949 0.5000-0.0000 ( 4874 PWs) bands (ev): -13.0092 -13.0092 -13.0081 -13.0081 -11.5128 -11.5128 -11.4553 -11.4553 -10.9704 -10.9704 -10.9419 -10.9419 -10.1511 -10.1511 -10.0026 -10.0026 -8.4753 -8.4753 -8.4380 -8.4380 -8.3926 -8.3926 -8.3834 -8.3834 -7.8676 -7.8676 -7.8086 -7.8086 -2.7591 -2.7591 -2.7027 -2.7027 0.7642 0.7642 0.8468 0.8468 3.3708 3.3708 3.4048 3.4048 3.9651 3.9651 4.0818 4.0818 5.0903 5.0903 5.0948 5.0948 5.4810 5.4810 5.4834 5.4834 5.7502 5.7502 5.7510 5.7510 9.9183 9.9183 10.2716 10.2716 11.6485 11.6485 12.3435 12.3435 12.9290 12.9290 13.0417 13.0417 k = 0.3077 0.5000-0.0000 ( 4870 PWs) bands (ev): -13.0091 -13.0091 -13.0080 -13.0080 -11.5140 -11.5140 -11.4586 -11.4586 -10.9687 -10.9687 -10.9406 -10.9406 -10.1420 -10.1420 -9.9979 -9.9979 -8.4717 -8.4717 -8.4342 -8.4342 -8.3932 -8.3932 -8.3835 -8.3835 -7.8558 -7.8558 -7.7984 -7.7984 -2.8189 -2.8189 -2.7636 -2.7636 0.7765 0.7765 0.8559 0.8559 3.3735 3.3735 3.3937 3.3937 4.0333 4.0333 4.1320 4.1320 5.0590 5.0590 5.0628 5.0628 5.4843 5.4843 5.4862 5.4862 5.7473 5.7473 5.7474 5.7474 9.9305 9.9305 10.2769 10.2769 11.6505 11.6505 12.3286 12.3286 12.9591 12.9591 13.0628 13.0628 k = 0.3205 0.5000-0.0000 ( 4864 PWs) bands (ev): -13.0089 -13.0089 -13.0079 -13.0079 -11.5149 -11.5149 -11.4621 -11.4621 -10.9669 -10.9669 -10.9395 -10.9395 -10.1326 -10.1326 -9.9939 -9.9939 -8.4682 -8.4682 -8.4306 -8.4306 -8.3938 -8.3938 -8.3836 -8.3836 -7.8439 -7.8439 -7.7884 -7.7884 -2.8764 -2.8764 -2.8225 -2.8225 0.7902 0.7902 0.8661 0.8661 3.3693 3.3693 3.3775 3.3775 4.1023 4.1023 4.1847 4.1847 5.0288 5.0288 5.0318 5.0318 5.4877 5.4877 5.4893 5.4893 5.7445 5.7445 5.7450 5.7450 9.9439 9.9439 10.2815 10.2815 11.6520 11.6520 12.3080 12.3080 12.9907 12.9907 13.0846 13.0846 k = 0.3333 0.5000-0.0000 ( 4866 PWs) bands (ev): -13.0088 -13.0088 -13.0078 -13.0078 -11.5156 -11.5156 -11.4655 -11.4655 -10.9652 -10.9652 -10.9386 -10.9386 -10.1230 -10.1230 -9.9905 -9.9905 -8.4646 -8.4646 -8.4273 -8.4273 -8.3943 -8.3943 -8.3838 -8.3838 -7.8319 -7.8319 -7.7787 -7.7787 -2.9313 -2.9313 -2.8792 -2.8792 0.8051 0.8051 0.8774 0.8774 3.3582 3.3582 3.3597 3.3597 4.1704 4.1704 4.2385 4.2385 4.9997 4.9997 5.0020 5.0020 5.4913 5.4913 5.4926 5.4926 5.7423 5.7423 5.7432 5.7432 9.9584 9.9584 10.2850 10.2850 11.6534 11.6534 12.2825 12.2825 13.0229 13.0229 13.1068 13.1068 k = 0.3462 0.5000-0.0000 ( 4866 PWs) bands (ev): -13.0086 -13.0086 -13.0077 -13.0077 -11.5161 -11.5161 -11.4690 -11.4690 -10.9634 -10.9634 -10.9379 -10.9379 -10.1133 -10.1133 -9.9878 -9.9878 -8.4611 -8.4611 -8.4244 -8.4244 -8.3948 -8.3948 -8.3840 -8.3840 -7.8200 -7.8200 -7.7694 -7.7694 -2.9832 -2.9832 -2.9334 -2.9334 0.8208 0.8208 0.8892 0.8892 3.3371 3.3371 3.3461 3.3461 4.2363 4.2363 4.2920 4.2920 4.9720 4.9720 4.9735 4.9735 5.4949 5.4949 5.4961 5.4961 5.7406 5.7406 5.7418 5.7418 9.9740 9.9740 10.2874 10.2874 11.6551 11.6551 12.2531 12.2531 13.0551 13.0551 13.1292 13.1292 k = 0.3590 0.5000-0.0000 ( 4866 PWs) bands (ev): -13.0085 -13.0085 -13.0076 -13.0076 -11.5163 -11.5163 -11.4725 -11.4725 -10.9616 -10.9616 -10.9374 -10.9374 -10.1036 -10.1036 -9.9858 -9.9858 -8.4576 -8.4576 -8.4219 -8.4219 -8.3952 -8.3952 -8.3842 -8.3842 -7.8082 -7.8082 -7.7606 -7.7606 -3.0318 -3.0318 -2.9846 -2.9846 0.8371 0.8371 0.9014 0.9014 3.3151 3.3151 3.3297 3.3297 4.2993 4.2993 4.3443 4.3443 4.9458 4.9458 4.9465 4.9465 5.4985 5.4985 5.4996 5.4996 5.7393 5.7393 5.7408 5.7408 9.9904 9.9904 10.2885 10.2885 11.6575 11.6575 12.2205 12.2205 13.0866 13.0866 13.1512 13.1512 k = 0.3718 0.5000-0.0000 ( 4862 PWs) bands (ev): -13.0084 -13.0084 -13.0075 -13.0075 -11.5164 -11.5164 -11.4759 -11.4759 -10.9598 -10.9598 -10.9371 -10.9371 -10.0939 -10.0939 -9.9846 -9.9846 -8.4541 -8.4541 -8.4199 -8.4199 -8.3955 -8.3955 -8.3844 -8.3844 -7.7966 -7.7966 -7.7524 -7.7524 -3.0769 -3.0769 -3.0327 -3.0327 0.8537 0.8537 0.9135 0.9135 3.2929 3.2929 3.3114 3.3114 4.3588 4.3588 4.3945 4.3945 4.9210 4.9210 4.9212 4.9212 5.5021 5.5021 5.5031 5.5031 5.7384 5.7384 5.7401 5.7401 10.0076 10.0076 10.2880 10.2880 11.6611 11.6611 12.1854 12.1854 13.1168 13.1168 13.1727 13.1727 k = 0.3846 0.5000-0.0000 ( 4862 PWs) bands (ev): -13.0082 -13.0082 -13.0075 -13.0075 -11.5162 -11.5162 -11.4793 -11.4793 -10.9580 -10.9580 -10.9370 -10.9370 -10.0842 -10.0842 -9.9840 -9.9840 -8.4507 -8.4507 -8.4183 -8.4183 -8.3956 -8.3956 -8.3847 -8.3847 -7.7854 -7.7854 -7.7449 -7.7449 -3.1183 -3.1183 -3.0774 -3.0774 0.8703 0.8703 0.9253 0.9253 3.2713 3.2713 3.2921 3.2921 4.4143 4.4143 4.4420 4.4420 4.8970 4.8970 4.8982 4.8982 5.5057 5.5057 5.5065 5.5065 5.7378 5.7378 5.7396 5.7396 10.0255 10.0255 10.2860 10.2860 11.6662 11.6662 12.1486 12.1486 13.1453 13.1453 13.1931 13.1931 k = 0.3974 0.5000-0.0000 ( 4862 PWs) bands (ev): -13.0081 -13.0081 -13.0074 -13.0074 -11.5157 -11.5157 -11.4826 -11.4826 -10.9563 -10.9563 -10.9371 -10.9371 -10.0747 -10.0747 -9.9842 -9.9842 -8.4474 -8.4474 -8.4173 -8.4173 -8.3955 -8.3955 -8.3850 -8.3850 -7.7748 -7.7748 -7.7381 -7.7381 -3.1556 -3.1556 -3.1184 -3.1184 0.8865 0.8865 0.9366 0.9366 3.2507 3.2507 3.2725 3.2725 4.4657 4.4657 4.4865 4.4865 4.8746 4.8746 4.8767 4.8767 5.5090 5.5090 5.5098 5.5098 5.7375 5.7375 5.7393 5.7393 10.0438 10.0438 10.2822 10.2822 11.6733 11.6733 12.1106 12.1106 13.1718 13.1718 13.2123 13.2123 k = 0.4103 0.5000-0.0000 ( 4856 PWs) bands (ev): -13.0080 -13.0080 -13.0074 -13.0074 -11.5151 -11.5151 -11.4858 -11.4858 -10.9545 -10.9545 -10.9374 -10.9374 -10.0654 -10.0654 -9.9851 -9.9851 -8.4442 -8.4442 -8.4168 -8.4168 -8.3951 -8.3951 -8.3854 -8.3854 -7.7648 -7.7648 -7.7322 -7.7322 -3.1887 -3.1887 -3.1555 -3.1555 0.9022 0.9022 0.9468 0.9468 3.2317 3.2317 3.2532 3.2532 4.5128 4.5128 4.5277 4.5277 4.8536 4.8536 4.8567 4.8567 5.5121 5.5121 5.5129 5.5129 5.7373 5.7373 5.7391 5.7391 10.0625 10.0625 10.2766 10.2766 11.6827 11.6827 12.0720 12.0720 13.1959 13.1959 13.2297 13.2297 k = 0.4231 0.5000-0.0000 ( 4864 PWs) bands (ev): -13.0079 -13.0079 -13.0073 -13.0073 -11.5142 -11.5142 -11.4889 -11.4889 -10.9528 -10.9528 -10.9379 -10.9379 -10.0564 -10.0564 -9.9867 -9.9867 -8.4411 -8.4411 -8.4169 -8.4169 -8.3945 -8.3945 -8.3858 -8.3858 -7.7555 -7.7555 -7.7272 -7.7272 -3.2175 -3.2175 -3.1885 -3.1885 0.9169 0.9169 0.9559 0.9559 3.2146 3.2146 3.2350 3.2350 4.5555 4.5555 4.5654 4.5654 4.8338 4.8338 4.8379 4.8379 5.5150 5.5150 5.5157 5.5157 5.7373 5.7373 5.7390 5.7390 10.0815 10.0815 10.2692 10.2692 11.6945 11.6945 12.0334 12.0334 13.2173 13.2173 13.2452 13.2452 k = 0.4359 0.5000-0.0000 ( 4870 PWs) bands (ev): -13.0078 -13.0078 -13.0073 -13.0073 -11.5132 -11.5132 -11.4920 -11.4920 -10.9512 -10.9512 -10.9385 -10.9385 -10.0478 -10.0478 -9.9891 -9.9891 -8.4381 -8.4381 -8.4175 -8.4175 -8.3938 -8.3938 -8.3863 -8.3863 -7.7470 -7.7470 -7.7232 -7.7232 -3.2417 -3.2417 -3.2171 -3.2171 0.9305 0.9305 0.9635 0.9635 3.1999 3.1999 3.2182 3.2182 4.5939 4.5939 4.5996 4.5996 4.8151 4.8151 4.8201 4.8201 5.5175 5.5175 5.5181 5.5181 5.7374 5.7374 5.7389 5.7389 10.1006 10.1006 10.2601 10.2601 11.7091 11.7091 11.9952 11.9952 13.2360 13.2360 13.2584 13.2584 k = 0.4487 0.5000-0.0000 ( 4860 PWs) bands (ev): -13.0077 -13.0077 -13.0073 -13.0073 -11.5119 -11.5119 -11.4948 -11.4948 -10.9495 -10.9495 -10.9393 -10.9393 -10.0395 -10.0395 -9.9921 -9.9921 -8.4352 -8.4352 -8.4184 -8.4184 -8.3930 -8.3930 -8.3868 -8.3868 -7.7395 -7.7395 -7.7203 -7.7203 -3.2612 -3.2612 -3.2413 -3.2413 0.9426 0.9426 0.9695 0.9695 3.1878 3.1878 3.2033 3.2033 4.6281 4.6281 4.6302 4.6302 4.7973 4.7973 4.8030 4.8030 5.5197 5.5197 5.5202 5.5202 5.7376 5.7376 5.7389 5.7389 10.1196 10.1196 10.2493 10.2493 11.7264 11.7264 11.9578 11.9578 13.2518 13.2518 13.2691 13.2691 k = 0.4615 0.5000-0.0000 ( 4868 PWs) bands (ev): -13.0076 -13.0076 -13.0073 -13.0073 -11.5104 -11.5104 -11.4976 -11.4976 -10.9480 -10.9480 -10.9402 -10.9402 -10.0316 -10.0316 -9.9958 -9.9958 -8.4325 -8.4325 -8.4197 -8.4197 -8.3921 -8.3921 -8.3874 -8.3874 -7.7331 -7.7331 -7.7186 -7.7186 -3.2759 -3.2759 -3.2608 -3.2608 0.9531 0.9531 0.9735 0.9735 3.1786 3.1786 3.1908 3.1908 4.6576 4.6576 4.6584 4.6584 4.7801 4.7801 4.7863 4.7863 5.5214 5.5214 5.5218 5.5218 5.7378 5.7378 5.7388 5.7388 10.1384 10.1384 10.2369 10.2369 11.7466 11.7466 11.9216 11.9216 13.2646 13.2646 13.2773 13.2773 k = 0.4744 0.5000-0.0000 ( 4868 PWs) bands (ev): -13.0075 -13.0075 -13.0073 -13.0073 -11.5087 -11.5087 -11.5001 -11.5001 -10.9464 -10.9464 -10.9412 -10.9412 -10.0242 -10.0242 -10.0003 -10.0003 -8.4299 -8.4299 -8.4213 -8.4213 -8.3912 -8.3912 -8.3880 -8.3880 -7.7277 -7.7277 -7.7180 -7.7180 -3.2857 -3.2857 -3.2756 -3.2756 0.9618 0.9618 0.9755 0.9755 3.1726 3.1726 3.1810 3.1810 4.6820 4.6820 4.6849 4.6849 4.7631 4.7631 4.7695 4.7695 5.5227 5.5227 5.5230 5.5230 5.7381 5.7381 5.7388 5.7388 10.1568 10.1568 10.2231 10.2231 11.7696 11.7696 11.8869 11.8869 13.2743 13.2743 13.2826 13.2826 k = 0.4872 0.5000-0.0000 ( 4888 PWs) bands (ev): -13.0075 -13.0075 -13.0074 -13.0074 -11.5069 -11.5069 -11.5026 -11.5026 -10.9450 -10.9450 -10.9424 -10.9424 -10.0174 -10.0174 -10.0054 -10.0054 -8.4275 -8.4275 -8.4232 -8.4232 -8.3903 -8.3903 -8.3887 -8.3887 -7.7235 -7.7235 -7.7186 -7.7186 -3.2906 -3.2906 -3.2855 -3.2855 0.9684 0.9684 0.9753 0.9753 3.1698 3.1698 3.1741 3.1741 4.7033 4.7033 4.7074 4.7074 4.7466 4.7466 4.7524 4.7524 5.5235 5.5235 5.5236 5.5236 5.7383 5.7383 5.7386 5.7386 10.1746 10.1746 10.2080 10.2080 11.7953 11.7953 11.8541 11.8541 13.2809 13.2809 13.2850 13.2850 k = 0.5000 0.5000-0.0000 ( 4888 PWs) bands (ev): -13.0074 -13.0074 -13.0074 -13.0074 -11.5048 -11.5048 -11.5048 -11.5048 -10.9437 -10.9437 -10.9437 -10.9437 -10.0111 -10.0111 -10.0111 -10.0111 -8.4252 -8.4252 -8.4252 -8.4252 -8.3895 -8.3895 -8.3895 -8.3895 -7.7204 -7.7204 -7.7204 -7.7204 -3.2905 -3.2905 -3.2905 -3.2905 0.9730 0.9730 0.9730 0.9730 3.1703 3.1703 3.1703 3.1703 4.7183 4.7183 4.7183 4.7183 4.7382 4.7382 4.7382 4.7382 5.5238 5.5238 5.5238 5.5238 5.7385 5.7385 5.7385 5.7385 10.1918 10.1918 10.1918 10.1918 11.8235 11.8235 11.8235 11.8235 13.2845 13.2845 13.2845 13.2845 k = 0.5000 0.5000-0.0000 ( 4888 PWs) bands (ev): -13.0074 -13.0074 -13.0074 -13.0074 -11.5048 -11.5048 -11.5048 -11.5048 -10.9437 -10.9437 -10.9437 -10.9437 -10.0111 -10.0111 -10.0111 -10.0111 -8.4252 -8.4252 -8.4252 -8.4252 -8.3895 -8.3895 -8.3895 -8.3895 -7.7204 -7.7204 -7.7204 -7.7204 -3.2905 -3.2905 -3.2905 -3.2905 0.9730 0.9730 0.9730 0.9730 3.1703 3.1703 3.1703 3.1703 4.7183 4.7183 4.7183 4.7183 4.7382 4.7382 4.7382 4.7382 5.5238 5.5238 5.5238 5.5238 5.7385 5.7385 5.7385 5.7385 10.1918 10.1918 10.1918 10.1918 11.8235 11.8235 11.8235 11.8235 13.2845 13.2845 13.2845 13.2845 k = 0.4909 0.4909-0.0000 ( 4890 PWs) bands (ev): -13.0075 -13.0075 -13.0074 -13.0074 -11.5069 -11.5069 -11.5025 -11.5025 -10.9450 -10.9450 -10.9424 -10.9424 -10.0174 -10.0174 -10.0053 -10.0053 -8.4275 -8.4275 -8.4231 -8.4231 -8.3903 -8.3903 -8.3887 -8.3887 -7.7236 -7.7236 -7.7185 -7.7185 -3.2912 -3.2912 -3.2848 -3.2848 0.9677 0.9677 0.9760 0.9760 3.1683 3.1683 3.1756 3.1756 4.6953 4.6953 4.7213 4.7213 4.7366 4.7366 4.7565 4.7565 5.5233 5.5233 5.5238 5.5238 5.7382 5.7382 5.7388 5.7388 10.1744 10.1744 10.2082 10.2082 11.7952 11.7952 11.8542 11.8542 13.2807 13.2807 13.2852 13.2852 k = 0.4818 0.4818-0.0000 ( 4870 PWs) bands (ev): -13.0076 -13.0076 -13.0073 -13.0073 -11.5088 -11.5088 -11.5001 -11.5001 -10.9465 -10.9465 -10.9412 -10.9412 -10.0245 -10.0245 -10.0000 -10.0000 -8.4299 -8.4299 -8.4213 -8.4213 -8.3912 -8.3912 -8.3880 -8.3880 -7.7287 -7.7287 -7.7170 -7.7170 -3.2898 -3.2898 -3.2714 -3.2714 0.9571 0.9571 0.9801 0.9801 3.1644 3.1644 3.1892 3.1892 4.6591 4.6591 4.7280 4.7280 4.7348 4.7348 4.7774 4.7774 5.5219 5.5219 5.5237 5.5237 5.7374 5.7374 5.7395 5.7395 10.1554 10.1554 10.2244 10.2244 11.7696 11.7696 11.8869 11.8869 13.2729 13.2729 13.2838 13.2838 k = 0.4727 0.4727-0.0000 ( 4870 PWs) bands (ev): -13.0077 -13.0077 -13.0072 -13.0072 -11.5107 -11.5107 -11.4973 -11.4973 -10.9480 -10.9480 -10.9402 -10.9402 -10.0326 -10.0326 -9.9949 -9.9949 -8.4325 -8.4325 -8.4196 -8.4196 -8.3922 -8.3922 -8.3873 -8.3873 -7.7362 -7.7362 -7.7154 -7.7154 -3.2870 -3.2870 -3.2494 -3.2494 0.9405 0.9405 0.9864 0.9864 3.1581 3.1581 3.2115 3.2115 4.6158 4.6158 4.7304 4.7304 4.7405 4.7405 4.7954 4.7954 5.5197 5.5197 5.5236 5.5236 5.7361 5.7361 5.7406 5.7406 10.1341 10.1341 10.2410 10.2410 11.7468 11.7468 11.9212 11.9212 13.2607 13.2607 13.2809 13.2809 k = 0.4636 0.4636-0.0000 ( 4870 PWs) bands (ev): -13.0080 -13.0080 -13.0070 -13.0070 -11.5124 -11.5124 -11.4943 -11.4943 -10.9496 -10.9496 -10.9392 -10.9392 -10.0417 -10.0417 -9.9900 -9.9900 -8.4353 -8.4353 -8.4182 -8.4182 -8.3932 -8.3932 -8.3866 -8.3866 -7.7462 -7.7462 -7.7136 -7.7136 -3.2831 -3.2831 -3.2190 -3.2190 0.9179 0.9179 0.9950 0.9950 3.1495 3.1495 3.2419 3.2419 4.5653 4.5653 4.7258 4.7258 4.7561 4.7561 4.8109 4.8109 5.5166 5.5166 5.5234 5.5234 5.7342 5.7342 5.7420 5.7420 10.1099 10.1099 10.2584 10.2584 11.7271 11.7271 11.9566 11.9566 13.2440 13.2440 13.2765 13.2765 k = 0.4545 0.4545-0.0000 ( 4866 PWs) bands (ev): -13.0082 -13.0082 -13.0069 -13.0069 -11.5142 -11.5142 -11.4909 -11.4909 -10.9513 -10.9513 -10.9384 -10.9384 -10.0520 -10.0520 -9.9850 -9.9850 -8.4382 -8.4382 -8.4171 -8.4171 -8.3944 -8.3944 -8.3860 -8.3860 -7.7585 -7.7585 -7.7115 -7.7115 -3.2781 -3.2781 -3.1803 -3.1803 0.8902 0.8902 1.0060 1.0060 3.1388 3.1388 3.2797 3.2797 4.5075 4.5075 4.7197 4.7197 4.7759 4.7759 4.8245 4.8245 5.5128 5.5128 5.5231 5.5231 5.7320 5.7320 5.7439 5.7439 10.0826 10.0826 10.2770 10.2770 11.7102 11.7102 11.9925 11.9925 13.2229 13.2229 13.2706 13.2706 k = 0.4455 0.4455-0.0000 ( 4870 PWs) bands (ev): -13.0086 -13.0086 -13.0066 -13.0066 -11.5160 -11.5160 -11.4872 -11.4872 -10.9530 -10.9530 -10.9377 -10.9377 -10.0635 -10.0635 -9.9799 -9.9799 -8.4412 -8.4412 -8.4162 -8.4162 -8.3956 -8.3956 -8.3853 -8.3853 -7.7730 -7.7730 -7.7090 -7.7090 -3.2719 -3.2719 -3.1335 -3.1335 0.8578 0.8578 1.0194 1.0194 3.1264 3.1264 3.3241 3.3241 4.4424 4.4424 4.7123 4.7123 4.7994 4.7994 4.8367 4.8367 5.5084 5.5084 5.5228 5.5228 5.7292 5.7292 5.7460 5.7460 10.0518 10.0518 10.2967 10.2967 11.6962 11.6962 12.0284 12.0284 13.1977 13.1977 13.2633 13.2633 k = 0.4364 0.4364-0.0000 ( 4860 PWs) bands (ev): -13.0090 -13.0090 -13.0064 -13.0064 -11.5178 -11.5178 -11.4832 -11.4832 -10.9548 -10.9548 -10.9371 -10.9371 -10.0764 -10.0764 -9.9745 -9.9745 -8.4444 -8.4444 -8.4155 -8.4155 -8.3969 -8.3969 -8.3846 -8.3846 -7.7896 -7.7896 -7.7061 -7.7061 -3.2648 -3.2648 -3.0789 -3.0789 0.8216 0.8216 1.0352 1.0352 3.1126 3.1126 3.3742 3.3742 4.3700 4.3700 4.7036 4.7036 4.8262 4.8262 4.8480 4.8480 5.5037 5.5037 5.5224 5.5224 5.7261 5.7261 5.7484 5.7484 10.0178 10.0178 10.3176 10.3176 11.6847 11.6847 12.0638 12.0638 13.1685 13.1685 13.2543 13.2543 k = 0.4273 0.4273-0.0000 ( 4856 PWs) bands (ev): -13.0095 -13.0095 -13.0061 -13.0061 -11.5197 -11.5197 -11.4788 -11.4788 -10.9566 -10.9566 -10.9367 -10.9367 -10.0906 -10.0906 -9.9689 -9.9689 -8.4477 -8.4477 -8.4151 -8.4151 -8.3983 -8.3983 -8.3840 -8.3840 -7.8079 -7.8079 -7.7027 -7.7027 -3.2566 -3.2566 -3.0168 -3.0168 0.7823 0.7823 1.0534 1.0534 3.0976 3.0976 3.4291 3.4291 4.2907 4.2907 4.6936 4.6936 4.8558 4.8558 4.8586 4.8586 5.4987 5.4987 5.5219 5.5219 5.7227 5.7227 5.7510 5.7510 9.9805 9.9805 10.3393 10.3393 11.6752 11.6752 12.0982 12.0982 13.1356 13.1356 13.2435 13.2435 k = 0.4182 0.4182-0.0000 ( 4834 PWs) bands (ev): -13.0101 -13.0101 -13.0058 -13.0058 -11.5216 -11.5216 -11.4740 -11.4740 -10.9584 -10.9584 -10.9363 -10.9363 -10.1062 -10.1062 -9.9628 -9.9628 -8.4511 -8.4511 -8.4149 -8.4149 -8.3998 -8.3998 -8.3833 -8.3833 -7.8277 -7.8277 -7.6990 -7.6990 -3.2474 -3.2474 -2.9476 -2.9476 0.7406 0.7406 1.0739 1.0739 3.0818 3.0818 3.4879 3.4879 4.2049 4.2049 4.6825 4.6825 4.8689 4.8689 4.8879 4.8879 5.4936 5.4936 5.5214 5.5214 5.7190 5.7190 5.7538 5.7538 9.9402 9.9402 10.3616 10.3616 11.6673 11.6673 12.1309 12.1309 13.0994 13.0994 13.2309 13.2309 k = 0.4091 0.4091-0.0000 ( 4846 PWs) bands (ev): -13.0107 -13.0107 -13.0055 -13.0055 -11.5237 -11.5237 -11.4689 -11.4689 -10.9603 -10.9603 -10.9362 -10.9362 -10.1231 -10.1231 -9.9564 -9.9564 -8.4545 -8.4545 -8.4150 -8.4150 -8.4014 -8.4014 -8.3827 -8.3827 -7.8488 -7.8488 -7.6949 -7.6949 -3.2374 -3.2374 -2.8717 -2.8717 0.6970 0.6970 1.0966 1.0966 3.0655 3.0655 3.5496 3.5496 4.1132 4.1132 4.6702 4.6702 4.8790 4.8790 4.9218 4.9218 5.4886 5.4886 5.5207 5.5207 5.7152 5.7152 5.7566 5.7566 9.8972 9.8972 10.3842 10.3842 11.6603 11.6603 12.1615 12.1615 13.0600 13.0600 13.2162 13.2162 k = 0.4000 0.4000-0.0000 ( 4838 PWs) bands (ev): -13.0114 -13.0114 -13.0051 -13.0051 -11.5259 -11.5259 -11.4634 -11.4634 -10.9622 -10.9622 -10.9361 -10.9361 -10.1414 -10.1414 -9.9495 -9.9495 -8.4581 -8.4581 -8.4152 -8.4152 -8.4031 -8.4031 -8.3821 -8.3821 -7.8709 -7.8709 -7.6903 -7.6903 -3.2264 -3.2264 -2.7894 -2.7894 0.6523 0.6523 1.1217 1.1217 3.0490 3.0490 3.6131 3.6131 4.0165 4.0165 4.6568 4.6568 4.8891 4.8891 4.9571 4.9571 5.4839 5.4839 5.5200 5.5200 5.7113 5.7113 5.7596 5.7596 9.8519 9.8519 10.4066 10.4066 11.6535 11.6535 12.1897 12.1897 13.0179 13.0179 13.1993 13.1993 k = 0.3909 0.3909-0.0000 ( 4850 PWs) bands (ev): -13.0123 -13.0123 -13.0047 -13.0047 -11.5282 -11.5282 -11.4576 -11.4576 -10.9641 -10.9641 -10.9362 -10.9362 -10.1610 -10.1610 -9.9422 -9.9422 -8.4618 -8.4618 -8.4156 -8.4156 -8.4049 -8.4049 -8.3815 -8.3815 -7.8937 -7.8937 -7.6854 -7.6854 -3.2146 -3.2146 -2.7011 -2.7011 0.6069 0.6069 1.1490 1.1490 3.0324 3.0324 3.6763 3.6763 3.9165 3.9165 4.6425 4.6425 4.8993 4.8993 4.9934 4.9934 5.4796 5.4796 5.5192 5.5192 5.7074 5.7074 5.7625 5.7625 9.8046 9.8046 10.4285 10.4285 11.6462 11.6462 12.2149 12.2149 12.9732 12.9732 13.1800 13.1800 k = 0.3818 0.3818-0.0000 ( 4842 PWs) bands (ev): -13.0131 -13.0131 -13.0043 -13.0043 -11.5306 -11.5306 -11.4514 -11.4514 -10.9660 -10.9660 -10.9364 -10.9364 -10.1818 -10.1818 -9.9343 -9.9343 -8.4655 -8.4655 -8.4162 -8.4162 -8.4067 -8.4067 -8.3810 -8.3810 -7.9171 -7.9171 -7.6801 -7.6801 -3.2021 -3.2021 -2.6072 -2.6072 0.5613 0.5613 1.1785 1.1785 3.0162 3.0162 3.7275 3.7275 3.8248 3.8248 4.6272 4.6272 4.9097 4.9097 5.0300 5.0300 5.4759 5.4759 5.5183 5.5183 5.7038 5.7038 5.7655 5.7655 9.7559 9.7559 10.4494 10.4494 11.6376 11.6376 12.2371 12.2371 12.9262 12.9262 13.1580 13.1580 k = 0.3727 0.3727-0.0000 ( 4858 PWs) bands (ev): -13.0141 -13.0141 -13.0039 -13.0039 -11.5332 -11.5332 -11.4450 -11.4450 -10.9679 -10.9679 -10.9368 -10.9368 -10.2037 -10.2037 -9.9260 -9.9260 -8.4693 -8.4693 -8.4170 -8.4170 -8.4086 -8.4086 -8.3805 -8.3805 -7.9407 -7.9407 -7.6745 -7.6745 -3.1889 -3.1889 -2.5080 -2.5080 0.5159 0.5159 1.2102 1.2102 3.0004 3.0004 3.6780 3.6780 3.8303 3.8303 4.6111 4.6111 4.9203 4.9203 5.0665 5.0665 5.4731 5.4731 5.5173 5.5173 5.7005 5.7005 5.7685 5.7685 9.7060 9.7060 10.4688 10.4688 11.6270 11.6270 12.2560 12.2560 12.8772 12.8772 13.1332 13.1332 k = 0.3636 0.3636-0.0000 ( 4858 PWs) bands (ev): -13.0151 -13.0151 -13.0035 -13.0035 -11.5359 -11.5359 -11.4383 -11.4383 -10.9698 -10.9698 -10.9373 -10.9373 -10.2267 -10.2267 -9.9171 -9.9171 -8.4731 -8.4731 -8.4179 -8.4179 -8.4105 -8.4105 -8.3801 -8.3801 -7.9643 -7.9643 -7.6685 -7.6685 -3.1750 -3.1750 -2.4040 -2.4040 0.4711 0.4711 1.2439 1.2439 2.9852 2.9852 3.5702 3.5702 3.8902 3.8902 4.5942 4.5942 4.9312 4.9312 5.1023 5.1023 5.4712 5.4712 5.5162 5.5162 5.6978 5.6978 5.7714 5.7714 9.6555 9.6555 10.4862 10.4862 11.6137 11.6137 12.2716 12.2716 12.8263 12.8263 13.1053 13.1053 k = 0.3545 0.3545-0.0000 ( 4858 PWs) bands (ev): -13.0162 -13.0162 -13.0031 -13.0031 -11.5388 -11.5388 -11.4314 -11.4314 -10.9716 -10.9716 -10.9379 -10.9379 -10.2507 -10.2507 -9.9077 -9.9077 -8.4771 -8.4771 -8.4189 -8.4189 -8.4125 -8.4125 -8.3798 -8.3798 -7.9879 -7.9879 -7.6621 -7.6621 -3.1606 -3.1606 -2.2954 -2.2954 0.4273 0.4273 1.2797 1.2797 2.9707 2.9707 3.4550 3.4550 3.9537 3.9537 4.5768 4.5768 4.9423 4.9423 5.1368 5.1368 5.4704 5.4704 5.5149 5.5149 5.6958 5.6958 5.7742 5.7742 9.6048 9.6048 10.5012 10.5012 11.5973 11.5973 12.2841 12.2841 12.7737 12.7737 13.0742 13.0742 k = 0.3455 0.3455-0.0000 ( 4860 PWs) bands (ev): -13.0175 -13.0175 -13.0027 -13.0027 -11.5419 -11.5419 -11.4242 -11.4242 -10.9735 -10.9735 -10.9387 -10.9387 -10.2755 -10.2755 -9.8978 -9.8978 -8.4810 -8.4810 -8.4200 -8.4200 -8.4145 -8.4145 -8.3795 -8.3795 -8.0112 -8.0112 -7.6555 -7.6555 -3.1456 -3.1456 -2.1826 -2.1826 0.3846 0.3846 1.3175 1.3175 2.9567 2.9567 3.3372 3.3372 4.0164 4.0164 4.5588 4.5588 4.9538 4.9538 5.1694 5.1694 5.4708 5.4708 5.5135 5.5135 5.6949 5.6949 5.7768 5.7768 9.5543 9.5543 10.5130 10.5130 11.5775 11.5775 12.2938 12.2938 12.7197 12.7197 13.0398 13.0398 k = 0.3364 0.3364-0.0000 ( 4856 PWs) bands (ev): -13.0187 -13.0187 -13.0022 -13.0022 -11.5451 -11.5451 -11.4169 -11.4169 -10.9753 -10.9753 -10.9395 -10.9395 -10.3011 -10.3011 -9.8874 -9.8874 -8.4850 -8.4850 -8.4212 -8.4212 -8.4165 -8.4165 -8.3793 -8.3793 -8.0341 -8.0341 -7.6485 -7.6485 -3.1303 -3.1303 -2.0660 -2.0660 0.3434 0.3434 1.3572 1.3572 2.9424 2.9424 3.2187 3.2187 4.0772 4.0772 4.5406 4.5406 4.9654 4.9654 5.1996 5.1996 5.4725 5.4725 5.5121 5.5121 5.6953 5.6953 5.7792 5.7792 9.5044 9.5044 10.5212 10.5212 11.5541 11.5541 12.3009 12.3009 12.6646 12.6646 13.0023 13.0023 k = 0.3273 0.3273-0.0000 ( 4854 PWs) bands (ev): -13.0201 -13.0201 -13.0018 -13.0018 -11.5485 -11.5485 -11.4093 -11.4093 -10.9771 -10.9771 -10.9405 -10.9405 -10.3274 -10.3274 -9.8765 -9.8765 -8.4891 -8.4891 -8.4225 -8.4225 -8.4185 -8.4185 -8.3792 -8.3792 -8.0565 -8.0565 -7.6412 -7.6412 -3.1147 -3.1147 -1.9460 -1.9460 0.3038 0.3038 1.3988 1.3988 2.9248 2.9248 3.1034 3.1034 4.1351 4.1351 4.5223 4.5223 4.9773 4.9773 5.2268 5.2268 5.4755 5.4755 5.5105 5.5105 5.6971 5.6971 5.7814 5.7814 9.4555 9.4555 10.5250 10.5250 11.5274 11.5274 12.3057 12.3057 12.6087 12.6087 12.9620 12.9620 k = 0.3182 0.3182-0.0000 ( 4846 PWs) bands (ev): -13.0216 -13.0216 -13.0014 -13.0014 -11.5520 -11.5520 -11.4017 -11.4017 -10.9788 -10.9788 -10.9416 -10.9416 -10.3542 -10.3542 -9.8651 -9.8651 -8.4932 -8.4932 -8.4238 -8.4238 -8.4204 -8.4204 -8.3791 -8.3791 -8.0783 -8.0783 -7.6336 -7.6336 -3.0988 -3.0988 -1.8228 -1.8228 0.2661 0.2661 1.4422 1.4422 2.8893 2.8893 3.0066 3.0066 4.1893 4.1893 4.5045 4.5045 4.9894 4.9894 5.2505 5.2505 5.4798 5.4798 5.5088 5.5088 5.7004 5.7004 5.7832 5.7832 9.4081 9.4081 10.5237 10.5237 11.4979 11.4979 12.3083 12.3083 12.5524 12.5524 12.9195 12.9195 k = 0.3091 0.3091-0.0000 ( 4842 PWs) bands (ev): -13.0231 -13.0231 -13.0010 -13.0010 -11.5557 -11.5557 -11.3940 -11.3940 -10.9805 -10.9805 -10.9428 -10.9428 -10.3814 -10.3814 -9.8532 -9.8532 -8.4974 -8.4974 -8.4253 -8.4253 -8.4223 -8.4223 -8.3792 -8.3792 -8.0995 -8.0995 -7.6257 -7.6257 -3.0827 -3.0827 -1.6969 -1.6969 0.2304 0.2304 1.4873 1.4873 2.8052 2.8052 2.9597 2.9597 4.2389 4.2389 4.4878 4.4878 5.0018 5.0018 5.2704 5.2704 5.4850 5.4850 5.5074 5.5074 5.7053 5.7053 5.7846 5.7846 9.3625 9.3625 10.5168 10.5168 11.4664 11.4664 12.3083 12.3083 12.4967 12.4967 12.8757 12.8757 k = 0.3000 0.3000-0.0000 ( 4848 PWs) bands (ev): -13.0248 -13.0248 -13.0007 -13.0007 -11.5596 -11.5596 -11.3861 -11.3861 -10.9821 -10.9821 -10.9442 -10.9442 -10.4090 -10.4090 -9.8409 -9.8409 -8.5016 -8.5016 -8.4269 -8.4269 -8.4242 -8.4242 -8.3793 -8.3793 -8.1198 -8.1198 -7.6176 -7.6176 -3.0665 -3.0665 -1.5685 -1.5685 0.1969 0.1969 1.5340 1.5340 2.6913 2.6913 2.9442 2.9442 4.2821 4.2821 4.4739 4.4739 5.0142 5.0142 5.2862 5.2862 5.4906 5.4906 5.5066 5.5066 5.7117 5.7117 5.7855 5.7855 9.3190 9.3190 10.5035 10.5035 11.4337 11.4337 12.3036 12.3036 12.4438 12.4438 12.8318 12.8318 k = 0.2909 0.2909-0.0000 ( 4860 PWs) bands (ev): -13.0265 -13.0265 -13.0003 -13.0003 -11.5637 -11.5637 -11.3783 -11.3783 -10.9837 -10.9837 -10.9456 -10.9456 -10.4367 -10.4367 -9.8281 -9.8281 -8.5059 -8.5059 -8.4286 -8.4286 -8.4258 -8.4258 -8.3795 -8.3795 -8.1395 -8.1395 -7.6092 -7.6092 -3.0504 -3.0504 -1.4380 -1.4380 0.1656 0.1656 1.5823 1.5823 2.5701 2.5701 2.9383 2.9383 4.3155 4.3155 4.4662 4.4662 5.0269 5.0269 5.2980 5.2980 5.4944 5.4944 5.5083 5.5083 5.7191 5.7191 5.7857 5.7857 9.2779 9.2779 10.4835 10.4835 11.4008 11.4008 12.2887 12.2887 12.3993 12.3993 12.7895 12.7895 k = 0.2818 0.2818-0.0000 ( 4862 PWs) bands (ev): -13.0283 -13.0283 -13.0000 -13.0000 -11.5679 -11.5679 -11.3704 -11.3704 -10.9853 -10.9853 -10.9471 -10.9471 -10.4644 -10.4644 -9.8149 -9.8149 -8.5102 -8.5102 -8.4304 -8.4304 -8.4274 -8.4274 -8.3799 -8.3799 -8.1582 -8.1582 -7.6006 -7.6006 -3.0343 -3.0343 -1.3057 -1.3057 0.1366 0.1366 1.6319 1.6319 2.4471 2.4471 2.9370 2.9370 4.3341 4.3341 4.4696 4.4696 5.0396 5.0396 5.3060 5.3060 5.4946 5.4946 5.5143 5.5143 5.7271 5.7271 5.7852 5.7852 9.2396 9.2396 10.4565 10.4565 11.3687 11.3687 12.2550 12.2550 12.3711 12.3711 12.7506 12.7506 k = 0.2727 0.2727-0.0000 ( 4856 PWs) bands (ev): -13.0302 -13.0302 -12.9997 -12.9997 -11.5723 -11.5723 -11.3626 -11.3626 -10.9867 -10.9867 -10.9487 -10.9487 -10.4921 -10.4921 -9.8014 -9.8014 -8.5145 -8.5145 -8.4322 -8.4322 -8.4289 -8.4289 -8.3802 -8.3802 -8.1761 -8.1761 -7.5917 -7.5917 -3.0185 -3.0185 -1.1720 -1.1720 0.1101 0.1101 1.6829 1.6829 2.3241 2.3241 2.9390 2.9390 4.3361 4.3361 4.4863 4.4863 5.0524 5.0524 5.3105 5.3105 5.4927 5.4927 5.5226 5.5226 5.7351 5.7351 5.7838 5.7838 9.2041 9.2041 10.4224 10.4224 11.3381 11.3381 12.2041 12.2041 12.3567 12.3567 12.7176 12.7176 k = 0.2636 0.2636-0.0000 ( 4852 PWs) bands (ev): -13.0322 -13.0322 -12.9994 -12.9994 -11.5768 -11.5768 -11.3548 -11.3548 -10.9881 -10.9881 -10.9504 -10.9504 -10.5196 -10.5196 -9.7874 -9.7874 -8.5188 -8.5188 -8.4341 -8.4341 -8.4303 -8.4303 -8.3807 -8.3807 -8.1932 -8.1932 -7.5827 -7.5827 -3.0028 -3.0028 -1.0373 -1.0373 0.0861 0.0861 1.7350 1.7350 2.2017 2.2017 2.9439 2.9439 4.3265 4.3265 4.5114 4.5114 5.0652 5.0652 5.3120 5.3120 5.4900 5.4900 5.5318 5.5318 5.7423 5.7423 5.7815 5.7815 9.1717 9.1717 10.3819 10.3819 11.3093 11.3093 12.1439 12.1439 12.3467 12.3467 12.6931 12.6931 k = 0.2545 0.2545-0.0000 ( 4850 PWs) bands (ev): -13.0342 -13.0342 -12.9991 -12.9991 -11.5814 -11.5814 -11.3471 -11.3471 -10.9895 -10.9895 -10.9522 -10.9522 -10.5467 -10.5467 -9.7732 -9.7732 -8.5232 -8.5232 -8.4359 -8.4359 -8.4316 -8.4316 -8.3812 -8.3812 -8.2094 -8.2094 -7.5735 -7.5735 -2.9875 -2.9875 -0.9019 -0.9019 0.0647 0.0647 1.7878 1.7878 2.0810 2.0810 2.9517 2.9517 4.3109 4.3109 4.5396 4.5396 5.0780 5.0780 5.3107 5.3107 5.4868 5.4868 5.5411 5.5411 5.7481 5.7481 5.7782 5.7782 9.1424 9.1424 10.3355 10.3355 11.2826 11.2826 12.0792 12.0792 12.3355 12.3355 12.6796 12.6796 k = 0.2455 0.2455-0.0000 ( 4854 PWs) bands (ev): -13.0363 -13.0363 -12.9989 -12.9989 -11.5862 -11.5862 -11.3396 -11.3396 -10.9908 -10.9908 -10.9540 -10.9540 -10.5735 -10.5735 -9.7586 -9.7586 -8.5276 -8.5276 -8.4377 -8.4377 -8.4328 -8.4328 -8.3819 -8.3819 -8.2248 -8.2248 -7.5641 -7.5641 -2.9726 -2.9726 -0.7662 -0.7662 0.0458 0.0458 1.8393 1.8393 1.9642 1.9642 2.9623 2.9623 4.2924 4.2924 4.5681 4.5681 5.0907 5.0907 5.3073 5.3073 5.4831 5.4831 5.5501 5.5501 5.7513 5.7513 5.7741 5.7741 9.1161 9.1161 10.2844 10.2844 11.2575 11.2575 12.0115 12.0115 12.3209 12.3209 12.6783 12.6783 k = 0.2364 0.2364-0.0000 ( 4846 PWs) bands (ev): -13.0385 -13.0385 -12.9987 -12.9987 -11.5912 -11.5912 -11.3321 -11.3321 -10.9920 -10.9920 -10.9559 -10.9559 -10.5998 -10.5998 -9.7439 -9.7439 -8.5321 -8.5321 -8.4395 -8.4395 -8.4340 -8.4340 -8.3826 -8.3826 -8.2393 -8.2393 -7.5546 -7.5546 -2.9581 -2.9581 -0.6308 -0.6308 0.0295 0.0295 1.8308 1.8308 1.9101 1.9101 2.9757 2.9757 4.2724 4.2724 4.5959 4.5959 5.1033 5.1033 5.3021 5.3021 5.4792 5.4792 5.5585 5.5585 5.7509 5.7509 5.7699 5.7699 9.0926 9.0926 10.2298 10.2298 11.2334 11.2334 11.9421 11.9421 12.3031 12.3031 12.6894 12.6894 k = 0.2273 0.2273-0.0000 ( 4850 PWs) bands (ev): -13.0407 -13.0407 -12.9985 -12.9985 -11.5962 -11.5962 -11.3248 -11.3248 -10.9931 -10.9931 -10.9579 -10.9579 -10.6254 -10.6254 -9.7289 -9.7289 -8.5365 -8.5365 -8.4412 -8.4412 -8.4351 -8.4351 -8.3833 -8.3833 -8.2531 -8.2531 -7.5450 -7.5450 -2.9442 -2.9442 -0.4960 -0.4960 0.0160 0.0160 1.7214 1.7214 1.9598 1.9598 2.9921 2.9921 4.2516 4.2516 4.6227 4.6227 5.1158 5.1158 5.2953 5.2953 5.4748 5.4748 5.5660 5.5660 5.7458 5.7458 5.7659 5.7659 9.0716 9.0716 10.1732 10.1732 11.2096 11.2096 11.8717 11.8717 12.2836 12.2836 12.7116 12.7116 k = 0.2182 0.2182-0.0000 ( 4862 PWs) bands (ev): -13.0430 -13.0430 -12.9984 -12.9984 -11.6014 -11.6014 -11.3177 -11.3177 -10.9942 -10.9942 -10.9600 -10.9600 -10.6504 -10.6504 -9.7138 -9.7138 -8.5410 -8.5410 -8.4428 -8.4428 -8.4362 -8.4362 -8.3841 -8.3841 -8.2660 -8.2660 -7.5353 -7.5353 -2.9308 -2.9308 -0.3626 -0.3626 0.0054 0.0054 1.6088 1.6088 2.0158 2.0158 3.0114 3.0114 4.2304 4.2304 4.6484 4.6484 5.1281 5.1281 5.2874 5.2874 5.4701 5.4701 5.5724 5.5724 5.7367 5.7367 5.7614 5.7614 9.0527 9.0527 10.1159 10.1159 11.1850 11.1850 11.8010 11.8010 12.2645 12.2645 12.7433 12.7433 k = 0.2091 0.2091-0.0000 ( 4862 PWs) bands (ev): -13.0454 -13.0454 -12.9983 -12.9983 -11.6066 -11.6066 -11.3109 -11.3109 -10.9953 -10.9953 -10.9621 -10.9621 -10.6746 -10.6746 -9.6986 -9.6986 -8.5454 -8.5454 -8.4444 -8.4444 -8.4372 -8.4372 -8.3850 -8.3850 -8.2781 -8.2781 -7.5255 -7.5255 -2.9180 -2.9180 -0.2319 -0.2319 -0.0015 -0.0015 1.4982 1.4982 2.0731 2.0731 3.0336 3.0336 4.2090 4.2090 4.6732 4.6732 5.1402 5.1402 5.2785 5.2785 5.4650 5.4650 5.5776 5.5776 5.7244 5.7244 5.7552 5.7552 9.0352 9.0352 10.0595 10.0595 11.1584 11.1584 11.7308 11.7308 12.2475 12.2475 12.7832 12.7832 k = 0.2000 0.2000-0.0000 ( 4858 PWs) bands (ev): -13.0477 -13.0477 -12.9982 -12.9982 -11.6119 -11.6119 -11.3042 -11.3042 -10.9962 -10.9962 -10.9642 -10.9642 -10.6979 -10.6979 -9.6834 -9.6834 -8.5498 -8.5498 -8.4458 -8.4458 -8.4381 -8.4381 -8.3859 -8.3859 -8.2895 -8.2895 -7.5157 -7.5157 -2.9058 -2.9058 -0.1096 -0.1096 0.0005 0.0005 1.3903 1.3903 2.1309 2.1309 3.0589 3.0589 4.1876 4.1876 4.6973 4.6973 5.1519 5.1519 5.2690 5.2690 5.4596 5.4596 5.5813 5.5813 5.7096 5.7096 5.7467 5.7467 9.0183 9.0183 10.0054 10.0054 11.1287 11.1287 11.6619 11.6619 12.2342 12.2342 12.8300 12.8300 k = 0.1909 0.1909-0.0000 ( 4854 PWs) bands (ev): -13.0501 -13.0501 -12.9981 -12.9981 -11.6172 -11.6172 -11.2978 -11.2978 -10.9971 -10.9971 -10.9663 -10.9663 -10.7203 -10.7203 -9.6682 -9.6682 -8.5542 -8.5542 -8.4472 -8.4472 -8.4389 -8.4389 -8.3869 -8.3869 -8.3002 -8.3002 -7.5058 -7.5058 -2.8944 -2.8944 -0.0403 -0.0403 0.0554 0.0554 1.2854 1.2854 2.1892 2.1892 3.0871 3.0871 4.1663 4.1663 4.7207 4.7207 5.1633 5.1633 5.2590 5.2590 5.4538 5.4538 5.5833 5.5833 5.6926 5.6926 5.7357 5.7357 9.0012 9.0012 9.9549 9.9549 11.0949 11.0949 11.5950 11.5950 12.2257 12.2257 12.8828 12.8828 k = 0.1818 0.1818-0.0000 ( 4854 PWs) bands (ev): -13.0525 -13.0525 -12.9981 -12.9981 -11.6226 -11.6226 -11.2916 -11.2916 -10.9979 -10.9979 -10.9685 -10.9685 -10.7418 -10.7418 -9.6531 -9.6531 -8.5585 -8.5585 -8.4485 -8.4485 -8.4397 -8.4397 -8.3879 -8.3879 -8.3102 -8.3102 -7.4960 -7.4960 -2.8836 -2.8836 -0.0313 -0.0313 0.1700 0.1700 1.1837 1.1837 2.2475 2.2475 3.1183 3.1183 4.1452 4.1452 4.7438 4.7438 5.1741 5.1741 5.2488 5.2488 5.4476 5.4476 5.5834 5.5834 5.6738 5.6738 5.7224 5.7224 8.9830 8.9830 9.9094 9.9094 11.0560 11.0560 11.5307 11.5307 12.2228 12.2228 12.9407 12.9407 k = 0.1727 0.1727-0.0000 ( 4854 PWs) bands (ev): -13.0549 -13.0549 -12.9981 -12.9981 -11.6280 -11.6280 -11.2857 -11.2857 -10.9986 -10.9986 -10.9707 -10.9707 -10.7622 -10.7622 -9.6382 -9.6382 -8.5628 -8.5628 -8.4496 -8.4496 -8.4403 -8.4403 -8.3890 -8.3890 -8.3196 -8.3196 -7.4863 -7.4863 -2.8735 -2.8735 -0.0295 -0.0295 0.2904 0.2904 1.0857 1.0857 2.3059 2.3059 3.1523 3.1523 4.1244 4.1244 4.7667 4.7667 5.1841 5.1841 5.2388 5.2388 5.4410 5.4410 5.5811 5.5811 5.6538 5.6538 5.7069 5.7069 8.9629 8.9629 9.8697 9.8697 11.0117 11.0117 11.4695 11.4695 12.2260 12.2260 13.0032 13.0032 k = 0.1636 0.1636-0.0000 ( 4856 PWs) bands (ev): -13.0573 -13.0573 -12.9981 -12.9981 -11.6334 -11.6334 -11.2801 -11.2801 -10.9992 -10.9992 -10.9729 -10.9729 -10.7816 -10.7816 -9.6235 -9.6235 -8.5669 -8.5669 -8.4507 -8.4507 -8.4409 -8.4409 -8.3901 -8.3901 -8.3283 -8.3283 -7.4767 -7.4767 -2.8641 -2.8641 -0.0277 -0.0277 0.4088 0.4088 0.9915 0.9915 2.3640 2.3640 3.1890 3.1890 4.1040 4.1040 4.7894 4.7894 5.1925 5.1925 5.2299 5.2299 5.4339 5.4339 5.5755 5.5755 5.6337 5.6337 5.6896 5.6896 8.9401 8.9401 9.8367 9.8367 10.9620 10.9620 11.4114 11.4114 12.2354 12.2354 13.0696 13.0696 k = 0.1545 0.1545-0.0000 ( 4852 PWs) bands (ev): -13.0597 -13.0597 -12.9981 -12.9981 -11.6387 -11.6387 -11.2749 -11.2749 -10.9998 -10.9998 -10.9751 -10.9751 -10.7999 -10.7999 -9.6090 -9.6090 -8.5710 -8.5710 -8.4517 -8.4517 -8.4414 -8.4414 -8.3912 -8.3912 -8.3364 -8.3364 -7.4672 -7.4672 -2.8555 -2.8555 -0.0250 -0.0250 0.5237 0.5237 0.9012 0.9012 2.4216 2.4216 3.2283 3.2283 4.0840 4.0840 4.8121 4.8121 5.1969 5.1969 5.2246 5.2246 5.4265 5.4265 5.5651 5.5651 5.6153 5.6153 5.6709 5.6709 8.9143 8.9143 9.8106 9.8106 10.9075 10.9075 11.3565 11.3565 12.2508 12.2508 13.1395 13.1395 k = 0.1455 0.1455-0.0000 ( 4849 PWs) bands (ev): -13.0621 -13.0621 -12.9982 -12.9982 -11.6440 -11.6440 -11.2699 -11.2699 -11.0003 -11.0003 -10.9772 -10.9772 -10.8171 -10.8171 -9.5949 -9.5949 -8.5750 -8.5750 -8.4526 -8.4526 -8.4418 -8.4418 -8.3924 -8.3924 -8.3439 -8.3439 -7.4579 -7.4579 -2.8475 -2.8475 -0.0213 -0.0213 0.6341 0.6341 0.8154 0.8154 2.4787 2.4787 3.2698 3.2698 4.0645 4.0645 4.8349 4.8349 5.1941 5.1941 5.2263 5.2263 5.4186 5.4186 5.5486 5.5486 5.6000 5.6000 5.6513 5.6513 8.8853 8.8853 9.7913 9.7913 10.8490 10.8490 11.3046 11.3046 12.2719 12.2719 13.2122 13.2122 k = 0.1364 0.1364-0.0000 ( 4859 PWs) bands (ev): -13.0644 -13.0644 -12.9982 -12.9982 -11.6491 -11.6491 -11.2653 -11.2653 -11.0007 -11.0007 -10.9794 -10.9794 -10.8332 -10.8332 -9.5813 -9.5813 -8.5788 -8.5788 -8.4535 -8.4535 -8.4421 -8.4421 -8.3936 -8.3936 -8.3509 -8.3509 -7.4489 -7.4489 -2.8402 -2.8402 -0.0167 -0.0167 0.7292 0.7292 0.7443 0.7443 2.5350 2.5350 3.3132 3.3132 4.0457 4.0457 4.8577 4.8577 5.1867 5.1867 5.2325 5.2325 5.4101 5.4101 5.5270 5.5270 5.5870 5.5870 5.6313 5.6313 8.8535 8.8535 9.7781 9.7781 10.7877 10.7877 11.2555 11.2555 12.2980 12.2980 13.2873 13.2873 k = 0.1273 0.1273-0.0000 ( 4867 PWs) bands (ev): -13.0666 -13.0666 -12.9983 -12.9983 -11.6541 -11.6541 -11.2610 -11.2610 -11.0010 -11.0010 -10.9815 -10.9815 -10.8482 -10.8482 -9.5681 -9.5681 -8.5825 -8.5825 -8.4542 -8.4542 -8.4423 -8.4423 -8.3949 -8.3949 -8.3573 -8.3573 -7.4401 -7.4401 -2.8335 -2.8335 -0.0114 -0.0114 0.6564 0.6564 0.8405 0.8405 2.5902 2.5902 3.3579 3.3579 4.0277 4.0277 4.8807 4.8807 5.1780 5.1780 5.2400 5.2400 5.4010 5.4010 5.5025 5.5025 5.5743 5.5743 5.6119 5.6119 8.8195 8.8195 9.7702 9.7702 10.7246 10.7246 11.2092 11.2092 12.3285 12.3285 13.3641 13.3641 k = 0.1182 0.1182-0.0000 ( 4869 PWs) bands (ev): -13.0687 -13.0687 -12.9984 -12.9984 -11.6589 -11.6589 -11.2570 -11.2570 -11.0012 -11.0012 -10.9836 -10.9836 -10.8621 -10.8621 -9.5555 -9.5555 -8.5861 -8.5861 -8.4548 -8.4548 -8.4425 -8.4425 -8.3962 -8.3962 -8.3632 -8.3632 -7.4317 -7.4317 -2.8275 -2.8275 -0.0057 -0.0057 0.5847 0.5847 0.9348 0.9348 2.6441 2.6441 3.4033 3.4033 4.0107 4.0107 4.9038 4.9038 5.1694 5.1694 5.2475 5.2475 5.3911 5.3911 5.4771 5.4771 5.5597 5.5597 5.5940 5.5940 8.7839 8.7839 9.7663 9.7663 10.6609 10.6609 11.1656 11.1656 12.3625 12.3625 13.4422 13.4422 k = 0.1091 0.1091-0.0000 ( 4873 PWs) bands (ev): -13.0708 -13.0708 -12.9985 -12.9985 -11.6636 -11.6636 -11.2534 -11.2534 -11.0014 -11.0014 -10.9855 -10.9855 -10.8748 -10.8748 -9.5435 -9.5435 -8.5894 -8.5894 -8.4554 -8.4554 -8.4425 -8.4425 -8.3976 -8.3976 -8.3685 -8.3685 -7.4236 -7.4236 -2.8221 -2.8221 0.0002 0.0002 0.5180 0.5180 1.0231 1.0231 2.6966 2.6966 3.4486 3.4486 3.9949 3.9949 4.9270 4.9270 5.1614 5.1614 5.2548 5.2548 5.3801 5.3801 5.4522 5.4522 5.5426 5.5426 5.5782 5.5782 8.7475 8.7475 9.7651 9.7651 10.5978 10.5978 11.1251 11.1251 12.3991 12.3991 13.5210 13.5210 k = 0.1000 0.1000-0.0000 ( 4881 PWs) bands (ev): -13.0728 -13.0728 -12.9986 -12.9986 -11.6680 -11.6680 -11.2501 -11.2501 -11.0014 -11.0014 -10.9875 -10.9875 -10.8865 -10.8865 -9.5322 -9.5322 -8.5926 -8.5926 -8.4558 -8.4558 -8.4424 -8.4424 -8.3990 -8.3990 -8.3733 -8.3733 -7.4159 -7.4159 -2.8173 -2.8173 0.0058 0.0058 0.4568 0.4568 1.1049 1.1049 2.7472 2.7472 3.4928 3.4928 3.9807 3.9807 4.9500 4.9500 5.1545 5.1545 5.2615 5.2615 5.3676 5.3676 5.4290 5.4290 5.5237 5.5237 5.5638 5.5638 8.7113 8.7113 9.7655 9.7655 10.5361 10.5361 11.0878 11.0878 12.4374 12.4374 13.5998 13.5998 k = 0.0909 0.0909-0.0000 ( 4887 PWs) bands (ev): -13.0746 -13.0746 -12.9987 -12.9987 -11.6721 -11.6721 -11.2471 -11.2471 -11.0014 -11.0014 -10.9893 -10.9893 -10.8970 -10.8970 -9.5216 -9.5216 -8.5955 -8.5955 -8.4562 -8.4562 -8.4423 -8.4423 -8.4006 -8.4006 -8.3775 -8.3775 -7.4087 -7.4087 -2.8131 -2.8131 0.0108 0.0108 0.4015 0.4015 1.1801 1.1801 2.7957 2.7957 3.5348 3.5348 3.9686 3.9686 4.9729 4.9729 5.1489 5.1489 5.2676 5.2676 5.3532 5.3532 5.4086 5.4086 5.5040 5.5040 5.5501 5.5501 8.6760 8.6760 9.7661 9.7661 10.4771 10.4771 11.0540 11.0540 12.4765 12.4765 13.6778 13.6778 k = 0.0818 0.0818-0.0000 ( 4887 PWs) bands (ev): -13.0763 -13.0763 -12.9988 -12.9988 -11.6760 -11.6760 -11.2445 -11.2445 -11.0013 -11.0013 -10.9910 -10.9910 -10.9066 -10.9066 -9.5119 -9.5119 -8.5983 -8.5983 -8.4566 -8.4566 -8.4421 -8.4421 -8.4022 -8.4022 -8.3812 -8.3812 -7.4020 -7.4020 -2.8093 -2.8093 0.0148 0.0148 0.3523 0.3523 1.2485 1.2485 2.8418 2.8418 3.5734 3.5734 3.9590 3.9590 4.9954 4.9954 5.1448 5.1448 5.2727 5.2727 5.3373 5.3373 5.3914 5.3914 5.4845 5.4845 5.5365 5.5365 8.6422 8.6422 9.7661 9.7661 10.4216 10.4216 11.0241 11.0241 12.5155 12.5155 13.7538 13.7538 k = 0.0727 0.0727-0.0000 ( 4887 PWs) bands (ev): -13.0779 -13.0779 -12.9989 -12.9989 -11.6795 -11.6795 -11.2421 -11.2421 -11.0011 -11.0011 -10.9926 -10.9926 -10.9151 -10.9151 -9.5030 -9.5030 -8.6007 -8.6007 -8.4569 -8.4569 -8.4418 -8.4418 -8.4038 -8.4038 -8.3844 -8.3844 -7.3959 -7.3959 -2.8060 -2.8060 0.0172 0.0172 0.3097 0.3097 1.3098 1.3098 2.8850 2.8850 3.6072 3.6072 3.9527 3.9527 5.0173 5.0173 5.1423 5.1423 5.2765 5.2765 5.3211 5.3211 5.3769 5.3769 5.4658 5.4658 5.5226 5.5226 8.6106 8.6106 9.7646 9.7646 10.3706 10.3706 10.9982 10.9982 12.5534 12.5534 13.7698 13.7698 k = 0.0636 0.0636-0.0000 ( 4885 PWs) bands (ev): -13.0793 -13.0793 -12.9990 -12.9990 -11.6827 -11.6827 -11.2401 -11.2401 -11.0008 -11.0008 -10.9940 -10.9940 -10.9226 -10.9226 -9.4950 -9.4950 -8.6029 -8.6029 -8.4571 -8.4571 -8.4415 -8.4415 -8.4056 -8.4056 -8.3870 -8.3870 -7.3904 -7.3904 -2.8032 -2.8032 0.0178 0.0178 0.2739 0.2739 1.3641 1.3641 2.9251 2.9251 3.6351 3.6351 3.9501 3.9501 5.0383 5.0383 5.1415 5.1415 5.2778 5.2778 5.3071 5.3071 5.3643 5.3643 5.4485 5.4485 5.5087 5.5087 8.5816 8.5816 9.7614 9.7614 10.3248 10.3248 10.9762 10.9762 12.5895 12.5895 13.7081 13.7081 k = 0.0545 0.0545-0.0000 ( 4895 PWs) bands (ev): -13.0806 -13.0806 -12.9991 -12.9991 -11.6855 -11.6855 -11.2384 -11.2384 -11.0005 -11.0005 -10.9952 -10.9952 -10.9291 -10.9291 -9.4880 -9.4880 -8.6049 -8.6049 -8.4572 -8.4572 -8.4411 -8.4411 -8.4073 -8.4073 -8.3891 -8.3891 -7.3855 -7.3855 -2.8009 -2.8009 0.0163 0.0163 0.2452 0.2452 1.4112 1.4112 2.9614 2.9614 3.6564 3.6564 3.9513 3.9513 5.0579 5.0579 5.1423 5.1423 5.2741 5.2741 5.2987 5.2987 5.3530 5.3530 5.4329 5.4329 5.4947 5.4947 8.5557 8.5557 9.7563 9.7563 10.2850 10.2850 10.9582 10.9582 12.6227 12.6227 13.6535 13.6535 k = 0.0455 0.0455-0.0000 ( 4887 PWs) bands (ev): -13.0816 -13.0816 -12.9992 -12.9992 -11.6879 -11.6879 -11.2370 -11.2370 -11.0001 -11.0001 -10.9963 -10.9963 -10.9346 -10.9346 -9.4820 -9.4820 -8.6065 -8.6065 -8.4574 -8.4574 -8.4407 -8.4407 -8.4090 -8.4090 -8.3908 -8.3908 -7.3814 -7.3814 -2.7989 -2.7989 0.0127 0.0127 0.2232 0.2232 1.4511 1.4511 2.9934 2.9934 3.6711 3.6711 3.9558 3.9558 5.0757 5.0757 5.1446 5.1446 5.2663 5.2663 5.2954 5.2954 5.3432 5.3432 5.4196 5.4196 5.4811 5.4811 8.5333 8.5333 9.7497 9.7497 10.2514 10.2514 10.9439 10.9439 12.6524 12.6524 13.6071 13.6071 k = 0.0364 0.0364-0.0000 ( 4883 PWs) bands (ev): -13.0825 -13.0825 -12.9992 -12.9992 -11.6899 -11.6899 -11.2359 -11.2359 -10.9997 -10.9997 -10.9972 -10.9972 -10.9392 -10.9392 -9.4770 -9.4770 -8.6079 -8.6079 -8.4575 -8.4575 -8.4402 -8.4402 -8.4105 -8.4105 -8.3921 -8.3921 -7.3779 -7.3779 -2.7973 -2.7973 0.0078 0.0078 0.2074 0.2074 1.4837 1.4837 3.0208 3.0208 3.6802 3.6802 3.9626 3.9626 5.0911 5.0911 5.1481 5.1481 5.2587 5.2587 5.2927 5.2927 5.3354 5.3354 5.4086 5.4086 5.4683 5.4683 8.5146 8.5146 9.7423 9.7423 10.2244 10.2244 10.9329 10.9329 12.6777 12.6777 13.5691 13.5691 k = 0.0273 0.0273-0.0000 ( 4873 PWs) bands (ev): -13.0832 -13.0832 -12.9993 -12.9993 -11.6914 -11.6914 -11.2350 -11.2350 -10.9994 -10.9994 -10.9979 -10.9979 -10.9428 -10.9428 -9.4731 -9.4731 -8.6090 -8.6090 -8.4575 -8.4575 -8.4399 -8.4399 -8.4118 -8.4118 -8.3930 -8.3930 -7.3751 -7.3751 -2.7961 -2.7961 0.0024 0.0024 0.1968 0.1968 1.5092 1.5092 3.0428 3.0428 3.6851 3.6851 3.9699 3.9699 5.1031 5.1031 5.1526 5.1526 5.2534 5.2534 5.2882 5.2882 5.3305 5.3305 5.4000 5.4000 5.4570 5.4570 8.4998 8.4998 9.7351 9.7351 10.2037 10.2037 10.9249 10.9249 12.6981 12.6981 13.5395 13.5395 k = 0.0182 0.0182-0.0000 ( 4859 PWs) bands (ev): -13.0837 -13.0837 -12.9993 -12.9993 -11.6926 -11.6926 -11.2343 -11.2343 -10.9991 -10.9991 -10.9984 -10.9984 -10.9454 -10.9454 -9.4703 -9.4703 -8.6097 -8.6097 -8.4575 -8.4575 -8.4395 -8.4395 -8.4128 -8.4128 -8.3937 -8.3937 -7.3732 -7.3732 -2.7953 -2.7953 -0.0024 -0.0024 0.1902 0.1902 1.5273 1.5273 3.0590 3.0590 3.6873 3.6873 3.9763 3.9763 5.1113 5.1113 5.1575 5.1575 5.2505 5.2505 5.2823 5.2823 5.3284 5.3284 5.3939 5.3939 5.4480 5.4480 8.4892 8.4892 9.7290 9.7290 10.1891 10.1891 10.9195 10.9195 12.7131 12.7131 13.5183 13.5183 k = 0.0091 0.0091-0.0000 ( 4859 PWs) bands (ev): -13.0840 -13.0840 -12.9993 -12.9993 -11.6932 -11.6932 -11.2340 -11.2340 -10.9989 -10.9989 -10.9987 -10.9987 -10.9469 -10.9469 -9.4686 -9.4686 -8.6102 -8.6102 -8.4576 -8.4576 -8.4393 -8.4393 -8.4134 -8.4134 -8.3941 -8.3941 -7.3720 -7.3720 -2.7947 -2.7947 -0.0057 -0.0057 0.1866 0.1866 1.5382 1.5382 3.0689 3.0689 3.6881 3.6881 3.9806 3.9806 5.1159 5.1159 5.1617 5.1617 5.2494 5.2494 5.2771 5.2771 5.3279 5.3279 5.3902 5.3902 5.4421 5.4421 8.4827 8.4827 9.7250 9.7250 10.1805 10.1805 10.9164 10.9164 12.7222 12.7222 13.5057 13.5057 k = 0.0000 0.0000 0.0000 ( 4863 PWs) bands (ev): -13.0841 -13.0841 -12.9993 -12.9993 -11.6935 -11.6935 -11.2339 -11.2339 -10.9989 -10.9989 -10.9987 -10.9987 -10.9474 -10.9474 -9.4680 -9.4680 -8.6103 -8.6103 -8.4576 -8.4576 -8.4393 -8.4393 -8.4136 -8.4136 -8.3942 -8.3942 -7.3716 -7.3716 -2.7946 -2.7946 -0.0068 -0.0068 0.1855 0.1855 1.5418 1.5418 3.0722 3.0722 3.6883 3.6883 3.9822 3.9822 5.1173 5.1173 5.1633 5.1633 5.2491 5.2491 5.2751 5.2751 5.3278 5.3278 5.3890 5.3890 5.4401 5.4401 8.4806 8.4806 9.7236 9.7236 10.1777 10.1777 10.9154 10.9154 12.7253 12.7253 13.5014 13.5014 k = 0.0000 0.0000 0.0000 ( 4863 PWs) bands (ev): -13.0841 -13.0841 -12.9993 -12.9993 -11.6935 -11.6935 -11.2339 -11.2339 -10.9989 -10.9989 -10.9987 -10.9987 -10.9474 -10.9474 -9.4680 -9.4680 -8.6103 -8.6103 -8.4576 -8.4576 -8.4393 -8.4393 -8.4136 -8.4136 -8.3942 -8.3942 -7.3716 -7.3716 -2.7946 -2.7946 -0.0068 -0.0068 0.1855 0.1855 1.5418 1.5418 3.0722 3.0722 3.6883 3.6883 3.9822 3.9822 5.1173 5.1173 5.1633 5.1633 5.2491 5.2491 5.2751 5.2751 5.3278 5.3278 5.3890 5.3890 5.4401 5.4401 8.4806 8.4806 9.7236 9.7236 10.1777 10.1777 10.9154 10.9154 12.7253 12.7253 13.5014 13.5014 k = 0.0000 0.0000 0.0129 ( 4859 PWs) bands (ev): -13.0840 -13.0840 -12.9994 -12.9994 -11.6935 -11.6935 -11.2338 -11.2338 -10.9989 -10.9989 -10.9987 -10.9987 -10.9475 -10.9475 -9.4680 -9.4680 -8.6103 -8.6103 -8.4575 -8.4575 -8.4393 -8.4393 -8.4136 -8.4136 -8.3942 -8.3942 -7.3716 -7.3716 -2.7944 -2.7944 -0.0068 -0.0068 0.1855 0.1855 1.5417 1.5417 3.0722 3.0722 3.6882 3.6882 3.9821 3.9821 5.0839 5.0839 5.1959 5.1959 5.2441 5.2441 5.2809 5.2809 5.3250 5.3250 5.3917 5.3917 5.4418 5.4418 8.4768 8.4768 9.7248 9.7248 10.1780 10.1780 10.9157 10.9157 12.7258 12.7258 13.5014 13.5014 k = 0.0000 0.0000 0.0258 ( 4859 PWs) bands (ev): -13.0837 -13.0837 -12.9997 -12.9997 -11.6936 -11.6936 -11.2338 -11.2338 -10.9989 -10.9989 -10.9986 -10.9986 -10.9475 -10.9475 -9.4680 -9.4680 -8.6103 -8.6103 -8.4575 -8.4575 -8.4393 -8.4393 -8.4137 -8.4137 -8.3942 -8.3942 -7.3716 -7.3716 -2.7940 -2.7940 -0.0067 -0.0067 0.1856 0.1856 1.5412 1.5412 3.0722 3.0722 3.6881 3.6881 3.9821 3.9821 5.0350 5.0350 5.2280 5.2280 5.2488 5.2488 5.2931 5.2931 5.3178 5.3178 5.3986 5.3986 5.4468 5.4468 8.4656 8.4656 9.7282 9.7282 10.1787 10.1787 10.9166 10.9166 12.7272 12.7272 13.5014 13.5014 k = 0.0000 0.0000 0.0387 ( 4867 PWs) bands (ev): -13.0832 -13.0832 -13.0001 -13.0001 -11.6938 -11.6938 -11.2338 -11.2338 -10.9989 -10.9989 -10.9985 -10.9985 -10.9477 -10.9477 -9.4680 -9.4680 -8.6103 -8.6103 -8.4573 -8.4573 -8.4393 -8.4393 -8.4139 -8.4139 -8.3943 -8.3943 -7.3716 -7.3716 -2.7933 -2.7933 -0.0065 -0.0065 0.1858 0.1858 1.5405 1.5405 3.0722 3.0722 3.6878 3.6878 3.9820 3.9820 4.9851 4.9851 5.2184 5.2184 5.2901 5.2901 5.3081 5.3081 5.3111 5.3111 5.4079 5.4079 5.4554 5.4554 8.4472 8.4472 9.7339 9.7339 10.1798 10.1798 10.9182 10.9182 12.7294 12.7294 13.5014 13.5014 k = 0.0000 0.0000 0.0516 ( 4883 PWs) bands (ev): -13.0824 -13.0824 -13.0008 -13.0008 -11.6940 -11.6940 -11.2339 -11.2339 -10.9989 -10.9989 -10.9984 -10.9984 -10.9478 -10.9478 -9.4681 -9.4681 -8.6103 -8.6103 -8.4572 -8.4572 -8.4393 -8.4393 -8.4141 -8.4141 -8.3943 -8.3943 -7.3716 -7.3716 -2.7923 -2.7923 -0.0063 -0.0063 0.1860 0.1860 1.5395 1.5395 3.0722 3.0722 3.6875 3.6875 3.9819 3.9819 4.9357 4.9357 5.2061 5.2061 5.2971 5.2971 5.3140 5.3140 5.3478 5.3478 5.4183 5.4183 5.4682 5.4682 8.4223 8.4223 9.7416 9.7416 10.1812 10.1812 10.9203 10.9203 12.7325 12.7325 13.5014 13.5014 k = 0.0000 0.0000 0.0645 ( 4875 PWs) bands (ev): -13.0815 -13.0815 -13.0016 -13.0016 -11.6943 -11.6943 -11.2338 -11.2338 -10.9989 -10.9989 -10.9981 -10.9981 -10.9481 -10.9481 -9.4681 -9.4681 -8.6102 -8.6102 -8.4569 -8.4569 -8.4392 -8.4392 -8.4144 -8.4144 -8.3944 -8.3944 -7.3716 -7.3716 -2.7911 -2.7911 -0.0060 -0.0060 0.1863 0.1863 1.5383 1.5383 3.0721 3.0721 3.6871 3.6871 3.9817 3.9817 4.8873 4.8873 5.1934 5.1934 5.2856 5.2856 5.3298 5.3298 5.3896 5.3896 5.4290 5.4290 5.4864 5.4864 8.3914 8.3914 9.7511 9.7511 10.1825 10.1825 10.9230 10.9230 12.7364 12.7364 13.5014 13.5014 k = 0.0000 0.0000 0.0774 ( 4887 PWs) bands (ev): -13.0803 -13.0803 -13.0025 -13.0025 -11.6946 -11.6946 -11.2339 -11.2339 -10.9989 -10.9989 -10.9979 -10.9979 -10.9483 -10.9483 -9.4681 -9.4681 -8.6102 -8.6102 -8.4566 -8.4566 -8.4393 -8.4393 -8.4148 -8.4148 -8.3944 -8.3944 -7.3716 -7.3716 -2.7896 -2.7896 -0.0056 -0.0056 0.1866 0.1866 1.5368 1.5368 3.0721 3.0721 3.6866 3.6866 3.9816 3.9816 4.8403 4.8403 5.1807 5.1807 5.2740 5.2740 5.3449 5.3449 5.4263 5.4263 5.4398 5.4398 5.5120 5.5120 8.3552 8.3552 9.7623 9.7623 10.1835 10.1835 10.9262 10.9262 12.7408 12.7408 13.5014 13.5014 k = 0.0000 0.0000 0.0902 ( 4879 PWs) bands (ev): -13.0790 -13.0790 -13.0037 -13.0037 -11.6950 -11.6950 -11.2339 -11.2339 -10.9989 -10.9989 -10.9976 -10.9976 -10.9486 -10.9486 -9.4681 -9.4681 -8.6102 -8.6102 -8.4563 -8.4563 -8.4392 -8.4392 -8.4152 -8.4152 -8.3945 -8.3945 -7.3716 -7.3716 -2.7880 -2.7880 -0.0052 -0.0052 0.1870 0.1870 1.5352 1.5352 3.0721 3.0721 3.6860 3.6860 3.9814 3.9814 4.7948 4.7948 5.1682 5.1682 5.2624 5.2624 5.3599 5.3599 5.4503 5.4503 5.4561 5.4561 5.5455 5.5455 8.3148 8.3148 9.7749 9.7749 10.1841 10.1841 10.9297 10.9297 12.7458 12.7458 13.5014 13.5014 k = 0.0000 0.0000 0.1031 ( 4879 PWs) bands (ev): -13.0775 -13.0775 -13.0049 -13.0049 -11.6955 -11.6955 -11.2339 -11.2339 -10.9989 -10.9989 -10.9972 -10.9972 -10.9489 -10.9489 -9.4681 -9.4681 -8.6101 -8.6101 -8.4559 -8.4559 -8.4392 -8.4392 -8.4156 -8.4156 -8.3946 -8.3946 -7.3716 -7.3716 -2.7862 -2.7862 -0.0048 -0.0048 0.1874 0.1874 1.5334 1.5334 3.0721 3.0721 3.6854 3.6854 3.9812 3.9812 4.7513 4.7513 5.1560 5.1560 5.2511 5.2511 5.3747 5.3747 5.4606 5.4606 5.4809 5.4809 5.5843 5.5843 8.2709 8.2709 9.7888 9.7888 10.1838 10.1838 10.9337 10.9337 12.7512 12.7512 13.5014 13.5014 k = 0.0000 0.0000 0.1160 ( 4887 PWs) bands (ev): -13.0759 -13.0759 -13.0064 -13.0064 -11.6959 -11.6959 -11.2339 -11.2339 -10.9989 -10.9989 -10.9969 -10.9969 -10.9493 -10.9493 -9.4682 -9.4682 -8.6100 -8.6100 -8.4555 -8.4555 -8.4392 -8.4392 -8.4162 -8.4162 -8.3947 -8.3947 -7.3716 -7.3716 -2.7843 -2.7843 -0.0043 -0.0043 0.1879 0.1879 1.5315 1.5315 3.0720 3.0720 3.6847 3.6847 3.9809 3.9809 4.7097 4.7097 5.1442 5.1442 5.2401 5.2401 5.3890 5.3890 5.4704 5.4704 5.5035 5.5035 5.6252 5.6252 8.2244 8.2244 9.8038 9.8038 10.1825 10.1825 10.9379 10.9379 12.7568 12.7568 13.5014 13.5014 k = 0.0000 0.0000 0.1289 ( 4887 PWs) bands (ev): -13.0741 -13.0741 -13.0079 -13.0079 -11.6964 -11.6964 -11.2339 -11.2339 -10.9989 -10.9989 -10.9965 -10.9965 -10.9497 -10.9497 -9.4682 -9.4682 -8.6099 -8.6099 -8.4550 -8.4550 -8.4392 -8.4392 -8.4167 -8.4167 -8.3948 -8.3948 -7.3716 -7.3716 -2.7823 -2.7823 -0.0038 -0.0038 0.1883 0.1883 1.5295 1.5295 3.0720 3.0720 3.6840 3.6840 3.9807 3.9807 4.6705 4.6705 5.1329 5.1329 5.2296 5.2296 5.4028 5.4028 5.4797 5.4797 5.5258 5.5258 5.6660 5.6660 8.1762 8.1762 9.8198 9.8198 10.1801 10.1801 10.9423 10.9423 12.7626 12.7626 13.5014 13.5014 k = 0.0000 0.0000 0.1418 ( 4907 PWs) bands (ev): -13.0721 -13.0721 -13.0096 -13.0096 -11.6969 -11.6969 -11.2339 -11.2339 -10.9989 -10.9989 -10.9961 -10.9961 -10.9501 -10.9501 -9.4682 -9.4682 -8.6099 -8.6099 -8.4545 -8.4545 -8.4392 -8.4392 -8.4173 -8.4173 -8.3949 -8.3949 -7.3716 -7.3716 -2.7803 -2.7803 -0.0033 -0.0033 0.1888 0.1888 1.5275 1.5275 3.0719 3.0719 3.6833 3.6833 3.9804 3.9804 4.6337 4.6337 5.1221 5.1221 5.2196 5.2196 5.4156 5.4156 5.4884 5.4884 5.5482 5.5482 5.7056 5.7056 8.1273 8.1273 9.8366 9.8366 10.1763 10.1763 10.9467 10.9467 12.7683 12.7683 13.5014 13.5014 k = 0.0000 0.0000 0.1547 ( 4907 PWs) bands (ev): -13.0701 -13.0701 -13.0114 -13.0114 -11.6973 -11.6973 -11.2339 -11.2339 -10.9989 -10.9989 -10.9957 -10.9957 -10.9505 -10.9505 -9.4682 -9.4682 -8.6098 -8.6098 -8.4540 -8.4540 -8.4392 -8.4392 -8.4179 -8.4179 -8.3950 -8.3950 -7.3716 -7.3716 -2.7782 -2.7782 -0.0028 -0.0028 0.1893 0.1893 1.5255 1.5255 3.0719 3.0719 3.6825 3.6825 3.9802 3.9802 4.5995 4.5995 5.1121 5.1121 5.2103 5.2103 5.4274 5.4274 5.4966 5.4966 5.5710 5.5710 5.7432 5.7432 8.0785 8.0785 9.8540 9.8540 10.1711 10.1711 10.9512 10.9512 12.7740 12.7740 13.5014 13.5014 k = 0.0000 0.0000 0.1676 ( 4899 PWs) bands (ev): -13.0679 -13.0679 -13.0134 -13.0134 -11.6978 -11.6978 -11.2339 -11.2339 -10.9989 -10.9989 -10.9952 -10.9952 -10.9509 -10.9509 -9.4683 -9.4683 -8.6097 -8.6097 -8.4535 -8.4535 -8.4391 -8.4391 -8.4184 -8.4184 -8.3951 -8.3951 -7.3716 -7.3716 -2.7762 -2.7762 -0.0023 -0.0023 0.1897 0.1897 1.5235 1.5235 3.0719 3.0719 3.6818 3.6818 3.9800 3.9800 4.5681 4.5681 5.1028 5.1028 5.2016 5.2016 5.4382 5.4382 5.5040 5.5040 5.5940 5.5940 5.7784 5.7784 8.0307 8.0307 9.8721 9.8721 10.1644 10.1644 10.9556 10.9556 12.7794 12.7794 13.5014 13.5014 k = 0.0000 0.0000 0.1805 ( 4899 PWs) bands (ev): -13.0657 -13.0657 -13.0153 -13.0153 -11.6982 -11.6982 -11.2339 -11.2339 -10.9989 -10.9989 -10.9948 -10.9948 -10.9513 -10.9513 -9.4683 -9.4683 -8.6097 -8.6097 -8.4530 -8.4530 -8.4391 -8.4391 -8.4190 -8.4190 -8.3952 -8.3952 -7.3716 -7.3716 -2.7743 -2.7743 -0.0018 -0.0018 0.1902 0.1902 1.5216 1.5216 3.0718 3.0718 3.6811 3.6811 3.9797 3.9797 4.5396 4.5396 5.0943 5.0943 5.1937 5.1937 5.4477 5.4477 5.5108 5.5108 5.6168 5.6168 5.8107 5.8107 7.9848 7.9848 9.8906 9.8906 10.1562 10.1562 10.9599 10.9599 12.7845 12.7845 13.5014 13.5014 k = 0.0000 0.0000 0.1934 ( 4898 PWs) bands (ev): -13.0634 -13.0634 -13.0174 -13.0174 -11.6987 -11.6987 -11.2339 -11.2339 -10.9988 -10.9988 -10.9945 -10.9945 -10.9517 -10.9517 -9.4683 -9.4683 -8.6096 -8.6096 -8.4525 -8.4525 -8.4391 -8.4391 -8.4196 -8.4196 -8.3953 -8.3953 -7.3716 -7.3716 -2.7725 -2.7725 -0.0014 -0.0014 0.1906 0.1906 1.5199 1.5199 3.0718 3.0718 3.6804 3.6804 3.9795 3.9795 4.5142 4.5142 5.0866 5.0866 5.1866 5.1866 5.4562 5.4562 5.5168 5.5168 5.6389 5.6389 5.8398 5.8398 7.9417 7.9417 9.9095 9.9095 10.1466 10.1466 10.9638 10.9638 12.7892 12.7892 13.5014 13.5014 k = 0.0000 0.0000 0.2063 ( 4902 PWs) bands (ev): -13.0612 -13.0612 -13.0194 -13.0194 -11.6990 -11.6990 -11.2339 -11.2339 -10.9988 -10.9988 -10.9941 -10.9941 -10.9521 -10.9521 -9.4683 -9.4683 -8.6096 -8.6096 -8.4521 -8.4521 -8.4391 -8.4391 -8.4201 -8.4201 -8.3954 -8.3954 -7.3716 -7.3716 -2.7708 -2.7708 -0.0010 -0.0010 0.1910 0.1910 1.5183 1.5183 3.0718 3.0718 3.6798 3.6798 3.9793 3.9793 4.4919 4.4919 5.0799 5.0799 5.1803 5.1803 5.4634 5.4634 5.5221 5.5221 5.6597 5.6597 5.8655 5.8655 7.9022 7.9022 9.9286 9.9286 10.1355 10.1355 10.9675 10.9675 12.7934 12.7934 13.5014 13.5014 k = 0.0000 0.0000 0.2192 ( 4882 PWs) bands (ev): -13.0590 -13.0590 -13.0214 -13.0214 -11.6994 -11.6994 -11.2339 -11.2339 -10.9988 -10.9988 -10.9938 -10.9938 -10.9524 -10.9524 -9.4683 -9.4683 -8.6095 -8.6095 -8.4517 -8.4517 -8.4391 -8.4391 -8.4205 -8.4205 -8.3955 -8.3955 -7.3716 -7.3716 -2.7694 -2.7694 -0.0006 -0.0006 0.1913 0.1913 1.5169 1.5169 3.0718 3.0718 3.6792 3.6792 3.9791 3.9791 4.4729 4.4729 5.0741 5.0741 5.1750 5.1750 5.4696 5.4696 5.5266 5.5266 5.6787 5.6787 5.8877 5.8877 7.8670 7.8670 9.9479 9.9479 10.1230 10.1230 10.9707 10.9707 12.7971 12.7971 13.5014 13.5014 k = 0.0000 0.0000 0.2321 ( 4862 PWs) bands (ev): -13.0569 -13.0569 -13.0233 -13.0233 -11.6997 -11.6997 -11.2339 -11.2339 -10.9988 -10.9988 -10.9935 -10.9935 -10.9526 -10.9526 -9.4683 -9.4683 -8.6094 -8.6094 -8.4513 -8.4513 -8.4390 -8.4390 -8.4209 -8.4209 -8.3955 -8.3955 -7.3715 -7.3715 -2.7681 -2.7681 -0.0003 -0.0003 0.1916 0.1916 1.5157 1.5157 3.0718 3.0718 3.6787 3.6787 3.9790 3.9790 4.4572 4.4572 5.0694 5.0694 5.1706 5.1706 5.4746 5.4746 5.5303 5.5303 5.6952 5.6952 5.9060 5.9060 7.8371 7.8371 9.9671 9.9671 10.1093 10.1093 10.9734 10.9734 12.8002 12.8002 13.5014 13.5014 k = 0.0000 0.0000 0.2450 ( 4862 PWs) bands (ev): -13.0551 -13.0551 -13.0250 -13.0250 -11.6999 -11.6999 -11.2339 -11.2339 -10.9988 -10.9988 -10.9932 -10.9932 -10.9529 -10.9529 -9.4684 -9.4684 -8.6094 -8.6094 -8.4510 -8.4510 -8.4390 -8.4390 -8.4213 -8.4213 -8.3956 -8.3956 -7.3715 -7.3715 -2.7671 -2.7671 -0.0000 -0.0000 0.1919 0.1919 1.5147 1.5147 3.0718 3.0718 3.6784 3.6784 3.9789 3.9789 4.4449 4.4449 5.0656 5.0656 5.1671 5.1671 5.4785 5.4785 5.5332 5.5332 5.7088 5.7088 5.9204 5.9204 7.8130 7.8130 9.9862 9.9862 10.0946 10.0946 10.9756 10.9756 12.8026 12.8026 13.5014 13.5014 k = 0.0000 0.0000 0.2578 ( 4874 PWs) bands (ev): -13.0536 -13.0536 -13.0264 -13.0264 -11.7001 -11.7001 -11.2339 -11.2339 -10.9988 -10.9988 -10.9931 -10.9931 -10.9531 -10.9531 -9.4684 -9.4684 -8.6094 -8.6094 -8.4508 -8.4508 -8.4390 -8.4390 -8.4215 -8.4215 -8.3957 -8.3957 -7.3716 -7.3716 -2.7664 -2.7664 0.0001 0.0001 0.1920 0.1920 1.5141 1.5141 3.0717 3.0717 3.6781 3.6781 3.9788 3.9788 4.4361 4.4361 5.0629 5.0629 5.1646 5.1646 5.4812 5.4812 5.5352 5.5352 5.7188 5.7188 5.9308 5.9308 7.7954 7.7954 10.0048 10.0048 10.0791 10.0791 10.9771 10.9771 12.8044 12.8044 13.5014 13.5014 k = 0.0000 0.0000 0.2707 ( 4882 PWs) bands (ev): -13.0527 -13.0527 -13.0273 -13.0273 -11.7002 -11.7002 -11.2339 -11.2339 -10.9988 -10.9988 -10.9930 -10.9930 -10.9532 -10.9532 -9.4684 -9.4684 -8.6093 -8.6093 -8.4506 -8.4506 -8.4390 -8.4390 -8.4217 -8.4217 -8.3957 -8.3957 -7.3716 -7.3716 -2.7660 -2.7660 0.0003 0.0003 0.1921 0.1921 1.5136 1.5136 3.0717 3.0717 3.6779 3.6779 3.9787 3.9787 4.4308 4.4308 5.0613 5.0613 5.1631 5.1631 5.4829 5.4829 5.5365 5.5365 5.7250 5.7250 5.9370 5.9370 7.7846 7.7846 10.0222 10.0222 10.0634 10.0634 10.9781 10.9781 12.8054 12.8054 13.5014 13.5014 k = 0.0000 0.0000 0.2836 ( 4894 PWs) bands (ev): -13.0523 -13.0523 -13.0277 -13.0277 -11.7002 -11.7002 -11.2339 -11.2339 -10.9988 -10.9988 -10.9930 -10.9930 -10.9532 -10.9532 -9.4684 -9.4684 -8.6094 -8.6094 -8.4506 -8.4506 -8.4390 -8.4390 -8.4218 -8.4218 -8.3957 -8.3957 -7.3716 -7.3716 -2.7658 -2.7658 0.0003 0.0003 0.1922 0.1922 1.5135 1.5135 3.0717 3.0717 3.6778 3.6778 3.9787 3.9787 4.4290 4.4290 5.0608 5.0608 5.1626 5.1626 5.4834 5.4834 5.5369 5.5369 5.7271 5.7271 5.9391 5.9391 7.7810 7.7810 10.0330 10.0330 10.0533 10.0533 10.9784 10.9784 12.8058 12.8058 13.5014 13.5014 k = 0.0000 0.0000 0.2836 ( 4894 PWs) bands (ev): -13.0523 -13.0523 -13.0277 -13.0277 -11.7002 -11.7002 -11.2339 -11.2339 -10.9988 -10.9988 -10.9930 -10.9930 -10.9532 -10.9532 -9.4684 -9.4684 -8.6094 -8.6094 -8.4506 -8.4506 -8.4390 -8.4390 -8.4218 -8.4218 -8.3957 -8.3957 -7.3716 -7.3716 -2.7658 -2.7658 0.0003 0.0003 0.1922 0.1922 1.5135 1.5135 3.0717 3.0717 3.6778 3.6778 3.9787 3.9787 4.4290 4.4290 5.0608 5.0608 5.1626 5.1626 5.4834 5.4834 5.5369 5.5369 5.7271 5.7271 5.9391 5.9391 7.7810 7.7810 10.0330 10.0330 10.0533 10.0533 10.9784 10.9784 12.8058 12.8058 13.5014 13.5014 k = 0.0000 0.0128 0.2836 ( 4882 PWs) bands (ev): -13.0523 -13.0523 -13.0276 -13.0276 -11.7000 -11.7000 -11.2341 -11.2341 -10.9987 -10.9987 -10.9930 -10.9930 -10.9526 -10.9526 -9.4690 -9.4690 -8.6092 -8.6092 -8.4506 -8.4506 -8.4391 -8.4391 -8.4215 -8.4215 -8.3956 -8.3956 -7.3719 -7.3719 -2.7661 -2.7661 0.0015 0.0015 0.1933 0.1933 1.5099 1.5099 3.0683 3.0683 3.6779 3.6779 3.9774 3.9774 4.4293 4.4293 5.0613 5.0613 5.1632 5.1632 5.4831 5.4831 5.5366 5.5366 5.7269 5.7269 5.9392 5.9392 7.7848 7.7848 10.0304 10.0304 10.0605 10.0605 10.9790 10.9790 12.8025 12.8025 13.5056 13.5056 k = 0.0000 0.0256 0.2836 ( 4886 PWs) bands (ev): -13.0521 -13.0521 -13.0274 -13.0274 -11.6993 -11.6993 -11.2344 -11.2344 -10.9986 -10.9986 -10.9932 -10.9932 -10.9509 -10.9509 -9.4706 -9.4706 -8.6087 -8.6087 -8.4508 -8.4508 -8.4394 -8.4394 -8.4207 -8.4207 -8.3952 -8.3952 -7.3731 -7.3731 -2.7667 -2.7667 0.0050 0.0050 0.1967 0.1967 1.4991 1.4991 3.0582 3.0582 3.6779 3.6779 3.9738 3.9738 4.4302 4.4302 5.0631 5.0631 5.1650 5.1650 5.4823 5.4823 5.5358 5.5358 5.7265 5.7265 5.9393 5.9393 7.7961 7.7961 10.0272 10.0272 10.0772 10.0772 10.9805 10.9805 12.7928 12.7928 13.5182 13.5182 k = 0.0000 0.0385 0.2836 ( 4888 PWs) bands (ev): -13.0519 -13.0519 -13.0272 -13.0272 -11.6981 -11.6981 -11.2351 -11.2351 -10.9985 -10.9985 -10.9934 -10.9934 -10.9481 -10.9481 -9.4734 -9.4734 -8.6080 -8.6080 -8.4510 -8.4510 -8.4397 -8.4397 -8.4194 -8.4194 -8.3945 -8.3945 -7.3751 -7.3751 -2.7676 -2.7676 0.0110 0.0110 0.2023 0.2023 1.4811 1.4811 3.0421 3.0421 3.6769 3.6769 3.9678 3.9678 4.4315 4.4315 5.0660 5.0660 5.1682 5.1682 5.4810 5.4810 5.5345 5.5345 5.7259 5.7259 5.9394 5.9394 7.8148 7.8148 10.0263 10.0263 10.1004 10.1004 10.9832 10.9832 12.7767 12.7767 13.5391 13.5391 k = 0.0000 0.0513 0.2836 ( 4876 PWs) bands (ev): -13.0515 -13.0515 -13.0268 -13.0268 -11.6965 -11.6965 -11.2359 -11.2359 -10.9982 -10.9982 -10.9937 -10.9937 -10.9441 -10.9441 -9.4773 -9.4773 -8.6069 -8.6069 -8.4515 -8.4515 -8.4399 -8.4399 -8.4177 -8.4177 -8.3936 -8.3936 -7.3779 -7.3779 -2.7689 -2.7689 0.0192 0.0192 0.2101 0.2101 1.4560 1.4560 3.0212 3.0212 3.6739 3.6739 3.9599 3.9599 4.4332 4.4332 5.0702 5.0702 5.1727 5.1727 5.4792 5.4792 5.5329 5.5329 5.7250 5.7250 5.9396 5.9396 7.8408 7.8408 10.0280 10.0280 10.1295 10.1295 10.9871 10.9871 12.7544 12.7544 13.5682 13.5682 k = 0.0000 0.0641 0.2836 ( 4872 PWs) bands (ev): -13.0511 -13.0511 -13.0263 -13.0263 -11.6944 -11.6944 -11.2371 -11.2371 -10.9980 -10.9980 -10.9939 -10.9939 -10.9391 -10.9391 -9.4823 -9.4823 -8.6056 -8.6056 -8.4522 -8.4522 -8.4399 -8.4399 -8.4157 -8.4157 -8.3924 -8.3924 -7.3815 -7.3815 -2.7703 -2.7703 0.0298 0.0298 0.2202 0.2202 1.4236 1.4236 2.9965 2.9965 3.6675 3.6675 3.9504 3.9504 4.4350 4.4350 5.0756 5.0756 5.1787 5.1787 5.4769 5.4769 5.5313 5.5313 5.7239 5.7239 5.9399 5.9399 7.8738 7.8738 10.0320 10.0320 10.1642 10.1642 10.9923 10.9923 12.7262 12.7262 13.6055 13.6055 k = 0.0000 0.0769 0.2836 ( 4864 PWs) bands (ev): -13.0505 -13.0505 -13.0257 -13.0257 -11.6919 -11.6919 -11.2386 -11.2386 -10.9977 -10.9977 -10.9940 -10.9940 -10.9330 -10.9330 -9.4883 -9.4883 -8.6041 -8.6041 -8.4532 -8.4532 -8.4397 -8.4397 -8.4133 -8.4133 -8.3909 -8.3909 -7.3859 -7.3859 -2.7717 -2.7717 0.0427 0.0427 0.2325 0.2325 1.3841 1.3841 2.9690 2.9690 3.6568 3.6568 3.9395 3.9395 4.4367 4.4367 5.0823 5.0823 5.1864 5.1864 5.4743 5.4743 5.5298 5.5298 5.7225 5.7225 5.9403 5.9403 7.9137 7.9137 10.0381 10.0381 10.2039 10.2039 10.9988 10.9988 12.6927 12.6927 13.6507 13.6507 k = 0.0000 0.0897 0.2836 ( 4868 PWs) bands (ev): -13.0499 -13.0499 -13.0250 -13.0250 -11.6889 -11.6889 -11.2403 -11.2403 -10.9975 -10.9975 -10.9941 -10.9941 -10.9259 -10.9259 -9.4955 -9.4955 -8.6022 -8.6022 -8.4544 -8.4544 -8.4392 -8.4392 -8.4108 -8.4108 -8.3891 -8.3891 -7.3913 -7.3913 -2.7729 -2.7729 0.0578 0.0578 0.2469 0.2469 1.3376 1.3376 2.9399 2.9399 3.6408 3.6408 3.9274 3.9274 4.4381 4.4381 5.0902 5.0902 5.1957 5.1957 5.4716 5.4716 5.5286 5.5286 5.7210 5.7210 5.9407 5.9407 7.9600 7.9600 10.0463 10.0463 10.2482 10.2482 11.0069 11.0069 12.6543 12.6543 13.7036 13.7036 k = 0.0000 0.1026 0.2836 ( 4868 PWs) bands (ev): -13.0492 -13.0492 -13.0242 -13.0242 -11.6855 -11.6855 -11.2424 -11.2424 -10.9974 -10.9974 -10.9939 -10.9939 -10.9177 -10.9177 -9.5037 -9.5037 -8.6002 -8.6002 -8.4559 -8.4559 -8.4384 -8.4384 -8.4081 -8.4081 -8.3868 -8.3868 -7.3975 -7.3975 -2.7738 -2.7738 0.0752 0.0752 0.2634 0.2634 1.2842 1.2842 2.9097 2.9097 3.6191 3.6191 3.9143 3.9143 4.4388 4.4388 5.0991 5.0991 5.2070 5.2070 5.4690 5.4690 5.5276 5.5276 5.7194 5.7194 5.9412 5.9412 8.0126 8.0126 10.0564 10.0564 10.2960 10.2960 11.0165 11.0165 12.6120 12.6120 13.7636 13.7636 k = 0.0000 0.1154 0.2836 ( 4856 PWs) bands (ev): -13.0483 -13.0483 -13.0234 -13.0234 -11.6816 -11.6816 -11.2448 -11.2448 -10.9973 -10.9973 -10.9936 -10.9936 -10.9084 -10.9084 -9.5130 -9.5130 -8.5980 -8.5980 -8.4575 -8.4575 -8.4374 -8.4374 -8.4054 -8.4054 -8.3840 -8.3840 -7.4046 -7.4046 -2.7741 -2.7741 0.0946 0.0946 0.2821 0.2821 1.2241 1.2241 2.8792 2.8792 3.5916 3.5916 3.9001 3.9001 4.4386 4.4386 5.1089 5.1089 5.2204 5.2204 5.4669 5.4669 5.5269 5.5269 5.7176 5.7176 5.9418 5.9418 8.0710 8.0710 10.0684 10.0684 10.3465 10.3465 11.0279 11.0279 12.5668 12.5668 13.8029 13.8029 k = 0.0000 0.1282 0.2836 ( 4850 PWs) bands (ev): -13.0474 -13.0474 -13.0224 -13.0224 -11.6774 -11.6774 -11.2475 -11.2475 -10.9973 -10.9973 -10.9932 -10.9932 -10.8979 -10.8979 -9.5232 -9.5232 -8.5956 -8.5956 -8.4594 -8.4594 -8.4362 -8.4362 -8.4028 -8.4028 -8.3806 -8.3806 -7.4127 -7.4127 -2.7737 -2.7737 0.1162 0.1162 0.3028 0.3028 1.1578 1.1578 2.8485 2.8485 3.5585 3.5585 3.8848 3.8848 4.4372 4.4372 5.1194 5.1194 5.2358 5.2358 5.4655 5.4655 5.5265 5.5265 5.7158 5.7158 5.9425 5.9425 8.1348 8.1348 10.0824 10.0824 10.3984 10.3984 11.0411 11.0411 12.5199 12.5199 13.7414 13.7414 k = 0.0000 0.1410 0.2836 ( 4842 PWs) bands (ev): -13.0465 -13.0465 -13.0215 -13.0215 -11.6727 -11.6727 -11.2506 -11.2506 -10.9973 -10.9973 -10.9927 -10.9927 -10.8864 -10.8864 -9.5345 -9.5345 -8.5931 -8.5931 -8.4613 -8.4613 -8.4348 -8.4348 -8.4003 -8.4003 -8.3766 -8.3766 -7.4217 -7.4217 -2.7722 -2.7722 0.1399 0.1399 0.3255 0.3255 1.0856 1.0856 2.8180 2.8180 3.5201 3.5201 3.8684 3.8684 4.4344 4.4344 5.1304 5.1304 5.2531 5.2531 5.4651 5.4651 5.5264 5.5264 5.7140 5.7140 5.9433 5.9433 8.2037 8.2037 10.0982 10.0982 10.4505 10.4505 11.0560 11.0560 12.4727 12.4727 13.6776 13.6776 k = 0.0000 0.1538 0.2836 ( 4850 PWs) bands (ev): -13.0454 -13.0454 -13.0205 -13.0205 -11.6677 -11.6677 -11.2540 -11.2540 -10.9973 -10.9973 -10.9921 -10.9921 -10.8737 -10.8737 -9.5468 -9.5468 -8.5904 -8.5904 -8.4633 -8.4633 -8.4333 -8.4333 -8.3980 -8.3980 -8.3717 -8.3717 -7.4317 -7.4317 -2.7696 -2.7696 0.1656 0.1656 0.3502 0.3502 1.0079 1.0079 2.7875 2.7875 3.4768 3.4768 3.8510 3.8510 4.4299 4.4299 5.1417 5.1417 5.2724 5.2724 5.4659 5.4659 5.5265 5.5265 5.7124 5.7124 5.9443 5.9443 8.2773 8.2773 10.1161 10.1161 10.5016 10.5016 11.0723 11.0723 12.4268 12.4268 13.6152 13.6152 k = 0.0000 0.1667 0.2836 ( 4846 PWs) bands (ev): -13.0443 -13.0443 -13.0194 -13.0194 -11.6623 -11.6623 -11.2577 -11.2577 -10.9973 -10.9973 -10.9915 -10.9915 -10.8599 -10.8599 -9.5601 -9.5601 -8.5877 -8.5877 -8.4654 -8.4654 -8.4316 -8.4316 -8.3960 -8.3960 -8.3661 -8.3661 -7.4428 -7.4428 -2.7654 -2.7654 0.1933 0.1933 0.3769 0.3769 0.9251 0.9251 2.7570 2.7570 3.4292 3.4292 3.8327 3.8327 4.4236 4.4236 5.1532 5.1532 5.2931 5.2931 5.4680 5.4680 5.5269 5.5269 5.7109 5.7109 5.9455 5.9455 8.3550 8.3550 10.1360 10.1360 10.5504 10.5504 11.0897 11.0897 12.3838 12.3838 13.5545 13.5545 k = 0.0000 0.1795 0.2836 ( 4850 PWs) bands (ev): -13.0431 -13.0431 -13.0184 -13.0184 -11.6565 -11.6565 -11.2618 -11.2618 -10.9972 -10.9972 -10.9909 -10.9909 -10.8450 -10.8450 -9.5743 -9.5743 -8.5849 -8.5849 -8.4676 -8.4676 -8.4299 -8.4299 -8.3941 -8.3941 -8.3598 -8.3598 -7.4548 -7.4548 -2.7596 -2.7596 0.2229 0.2229 0.4054 0.4054 0.8379 0.8379 2.7263 2.7263 3.3776 3.3776 3.8138 3.8138 4.4154 4.4154 5.1649 5.1649 5.3151 5.3151 5.4713 5.4713 5.5276 5.5276 5.7098 5.7098 5.9469 5.9469 8.4365 8.4365 10.1580 10.1580 10.5960 10.5960 11.1075 11.1075 12.3456 12.3456 13.4957 13.4957 k = 0.0000 0.1923 0.2836 ( 4854 PWs) bands (ev): -13.0419 -13.0419 -13.0173 -13.0173 -11.6504 -11.6504 -11.2662 -11.2662 -10.9972 -10.9972 -10.9904 -10.9904 -10.8289 -10.8289 -9.5895 -9.5895 -8.5820 -8.5820 -8.4698 -8.4698 -8.4280 -8.4280 -8.3925 -8.3925 -8.3527 -8.3527 -7.4679 -7.4679 -2.7518 -2.7518 0.2543 0.2543 0.4358 0.4358 0.7466 0.7466 2.6951 2.6951 3.3225 3.3225 3.7947 3.7947 4.4053 4.4053 5.1767 5.1767 5.3379 5.3379 5.4759 5.4759 5.5285 5.5285 5.7092 5.7092 5.9485 5.9485 8.5212 8.5212 10.1822 10.1822 10.6373 10.6373 11.1250 11.1250 12.3136 12.3136 13.4390 13.4390 k = 0.0000 0.2051 0.2836 ( 4854 PWs) bands (ev): -13.0406 -13.0406 -13.0162 -13.0162 -11.6439 -11.6439 -11.2709 -11.2709 -10.9971 -10.9971 -10.9898 -10.9898 -10.8117 -10.8117 -9.6057 -9.6057 -8.5791 -8.5791 -8.4720 -8.4720 -8.4260 -8.4260 -8.3910 -8.3910 -8.3449 -8.3449 -7.4820 -7.4820 -2.7419 -2.7419 0.2877 0.2877 0.4680 0.4680 0.6519 0.6519 2.6631 2.6631 3.2643 3.2643 3.7759 3.7759 4.3932 4.3932 5.1886 5.1886 5.3609 5.3609 5.4814 5.4814 5.5298 5.5298 5.7093 5.7093 5.9504 5.9504 8.6087 8.6087 10.2086 10.2086 10.6738 10.6738 11.1413 11.1413 12.2889 12.2889 13.3845 13.3845 k = 0.0000 0.2179 0.2836 ( 4858 PWs) bands (ev): -13.0392 -13.0392 -13.0152 -13.0152 -11.6372 -11.6372 -11.2760 -11.2760 -10.9970 -10.9970 -10.9893 -10.9893 -10.7934 -10.7934 -9.6227 -9.6227 -8.5762 -8.5762 -8.4742 -8.4742 -8.4240 -8.4240 -8.3896 -8.3896 -8.3363 -8.3363 -7.4971 -7.4971 -2.7296 -2.7296 0.3226 0.3226 0.5019 0.5019 0.5544 0.5544 2.6300 2.6300 3.2033 3.2033 3.7577 3.7577 4.3791 4.3791 5.2006 5.2006 5.3838 5.3838 5.4877 5.4877 5.5316 5.5316 5.7102 5.7102 5.9527 5.9527 8.6982 8.6982 10.2372 10.2372 10.7049 10.7049 11.1561 11.1561 12.2722 12.2722 13.3323 13.3323 k = 0.0000 0.2308 0.2836 ( 4858 PWs) bands (ev): -13.0378 -13.0378 -13.0141 -13.0141 -11.6301 -11.6301 -11.2813 -11.2813 -10.9968 -10.9968 -10.9888 -10.9888 -10.7739 -10.7739 -9.6406 -9.6406 -8.5733 -8.5733 -8.4765 -8.4765 -8.4220 -8.4220 -8.3883 -8.3883 -8.3271 -8.3271 -7.5132 -7.5132 -2.7149 -2.7149 0.3586 0.3586 0.4548 0.4548 0.5378 0.5378 2.5955 2.5955 3.1399 3.1399 3.7406 3.7406 4.3633 4.3633 5.2128 5.2128 5.4059 5.4059 5.4942 5.4942 5.5341 5.5341 5.7121 5.7121 5.9552 5.9552 8.7892 8.7892 10.2679 10.2679 10.7304 10.7304 11.1694 11.1694 12.2632 12.2632 13.2827 13.2827 k = 0.0000 0.2436 0.2836 ( 4856 PWs) bands (ev): -13.0364 -13.0364 -13.0131 -13.0131 -11.6228 -11.6228 -11.2870 -11.2870 -10.9967 -10.9967 -10.9884 -10.9884 -10.7534 -10.7534 -9.6594 -9.6594 -8.5705 -8.5705 -8.4788 -8.4788 -8.4198 -8.4198 -8.3871 -8.3871 -8.3172 -8.3172 -7.5303 -7.5303 -2.6974 -2.6974 0.3470 0.3470 0.4027 0.4027 0.5752 0.5752 2.5592 2.5592 3.0743 3.0743 3.7249 3.7249 4.3458 4.3458 5.2250 5.2250 5.4268 5.4268 5.5005 5.5005 5.5376 5.5376 5.7154 5.7154 5.9582 5.9582 8.8809 8.8809 10.3005 10.3005 10.7503 10.7503 11.1820 11.1820 12.2607 12.2607 13.2359 13.2359 k = 0.0000 0.2564 0.2836 ( 4862 PWs) bands (ev): -13.0350 -13.0350 -13.0122 -13.0122 -11.6152 -11.6152 -11.2929 -11.2929 -10.9965 -10.9965 -10.9880 -10.9880 -10.7319 -10.7319 -9.6791 -9.6791 -8.5676 -8.5676 -8.4810 -8.4810 -8.4177 -8.4177 -8.3861 -8.3861 -8.3066 -8.3066 -7.5484 -7.5484 -2.6770 -2.6770 0.2452 0.2452 0.4408 0.4408 0.6142 0.6142 2.5210 2.5210 3.0068 3.0068 3.7111 3.7111 4.3268 4.3268 5.2373 5.2373 5.4457 5.4457 5.5063 5.5063 5.5421 5.5421 5.7203 5.7203 5.9615 5.9615 8.9728 8.9728 10.3344 10.3344 10.7650 10.7650 11.1952 11.1952 12.2628 12.2628 13.1924 13.1924 k = 0.0000 0.2692 0.2836 ( 4850 PWs) bands (ev): -13.0335 -13.0335 -13.0113 -13.0113 -11.6074 -11.6074 -11.2992 -11.2992 -10.9962 -10.9962 -10.9877 -10.9877 -10.7094 -10.7094 -9.6997 -9.6997 -8.5648 -8.5648 -8.4833 -8.4833 -8.4155 -8.4155 -8.3851 -8.3851 -8.2954 -8.2954 -7.5673 -7.5673 -2.6537 -2.6537 0.1400 0.1400 0.4827 0.4827 0.6549 0.6549 2.4808 2.4808 2.9378 2.9378 3.6994 3.6994 4.3064 4.3064 5.2497 5.2497 5.4621 5.4621 5.5116 5.5116 5.5478 5.5478 5.7269 5.7269 5.9651 5.9651 9.0639 9.0639 10.3686 10.3686 10.7755 10.7755 11.2104 11.2104 12.2669 12.2669 13.1523 13.1523 k = 0.0000 0.2821 0.2836 ( 4854 PWs) bands (ev): -13.0320 -13.0320 -13.0104 -13.0104 -11.5994 -11.5994 -11.3057 -11.3057 -10.9960 -10.9960 -10.9874 -10.9874 -10.6858 -10.6858 -9.7211 -9.7211 -8.5620 -8.5620 -8.4855 -8.4855 -8.4134 -8.4134 -8.3842 -8.3842 -8.2834 -8.2834 -7.5871 -7.5871 -2.6272 -2.6272 0.0336 0.0336 0.5264 0.5264 0.6972 0.6972 2.4383 2.4383 2.8674 2.8674 3.6900 3.6900 4.2848 4.2848 5.2620 5.2620 5.4753 5.4753 5.5167 5.5167 5.5543 5.5543 5.7355 5.7355 5.9691 5.9691 9.1535 9.1535 10.4015 10.4015 10.7842 10.7842 11.2292 11.2292 12.2704 12.2704 13.1161 13.1161 k = 0.0000 0.2949 0.2836 ( 4846 PWs) bands (ev): -13.0305 -13.0305 -13.0096 -13.0096 -11.5911 -11.5911 -11.3124 -11.3124 -10.9957 -10.9957 -10.9871 -10.9871 -10.6614 -10.6614 -9.7433 -9.7433 -8.5593 -8.5593 -8.4878 -8.4878 -8.4112 -8.4112 -8.3834 -8.3834 -8.2708 -8.2708 -7.6077 -7.6077 -2.5975 -2.5975 -0.0735 -0.0735 0.5718 0.5718 0.7411 0.7411 2.3936 2.3936 2.7959 2.7959 3.6831 3.6831 4.2621 4.2621 5.2744 5.2744 5.4849 5.4849 5.5222 5.5222 5.5612 5.5612 5.7460 5.7460 5.9734 5.9734 9.2408 9.2408 10.4302 10.4302 10.7946 10.7946 11.2524 11.2524 12.2706 12.2706 13.0836 13.0836 k = 0.0000 0.3077 0.2836 ( 4844 PWs) bands (ev): -13.0289 -13.0289 -13.0089 -13.0089 -11.5827 -11.5827 -11.3194 -11.3194 -10.9954 -10.9954 -10.9869 -10.9869 -10.6360 -10.6360 -9.7663 -9.7663 -8.5566 -8.5566 -8.4900 -8.4900 -8.4090 -8.4090 -8.3827 -8.3827 -8.2575 -8.2575 -7.6290 -7.6290 -2.5645 -2.5645 -0.1809 -0.1809 0.6188 0.6188 0.7865 0.7865 2.3467 2.3467 2.7235 2.7235 3.6787 3.6787 4.2386 4.2386 5.2867 5.2867 5.4908 5.4908 5.5281 5.5281 5.5680 5.5680 5.7584 5.7584 5.9779 5.9779 9.3252 9.3252 10.4515 10.4515 10.8114 10.8114 11.2807 11.2807 12.2657 12.2657 13.0545 13.0545 k = 0.0000 0.3205 0.2836 ( 4838 PWs) bands (ev): -13.0274 -13.0274 -13.0083 -13.0083 -11.5741 -11.5741 -11.3266 -11.3266 -10.9950 -10.9950 -10.9868 -10.9868 -10.6098 -10.6098 -9.7901 -9.7901 -8.5540 -8.5540 -8.4922 -8.4922 -8.4069 -8.4069 -8.3820 -8.3820 -8.2436 -8.2436 -7.6509 -7.6509 -2.5281 -2.5281 -0.2882 -0.2882 0.6673 0.6673 0.8334 0.8334 2.2977 2.2977 2.6505 2.6505 3.6769 3.6769 4.2143 4.2143 5.2990 5.2990 5.4940 5.4940 5.5341 5.5341 5.5744 5.5744 5.7724 5.7724 5.9824 5.9824 9.4059 9.4059 10.4623 10.4623 10.8385 10.8385 11.3142 11.3142 12.2544 12.2544 13.0280 13.0280 k = 0.0000 0.3333 0.2836 ( 4842 PWs) bands (ev): -13.0259 -13.0259 -13.0078 -13.0078 -11.5654 -11.5654 -11.3341 -11.3341 -10.9947 -10.9947 -10.9867 -10.9867 -10.5829 -10.5829 -9.8147 -9.8147 -8.5515 -8.5515 -8.4944 -8.4944 -8.4048 -8.4048 -8.3815 -8.3815 -8.2290 -8.2290 -7.6735 -7.6735 -2.4883 -2.4883 -0.3954 -0.3954 0.7173 0.7173 0.8818 0.8818 2.2466 2.2466 2.5769 2.5769 3.6776 3.6776 4.1895 4.1895 5.3111 5.3111 5.4953 5.4953 5.5396 5.5396 5.5801 5.5801 5.7878 5.7878 5.9870 5.9870 9.4825 9.4825 10.4617 10.4617 10.8776 10.8776 11.3534 11.3534 12.2363 12.2363 13.0028 13.0028 k = 0.0000 0.3462 0.2836 ( 4842 PWs) bands (ev): -13.0244 -13.0244 -13.0073 -13.0073 -11.5565 -11.5565 -11.3417 -11.3417 -10.9943 -10.9943 -10.9867 -10.9867 -10.5552 -10.5552 -9.8400 -9.8400 -8.5490 -8.5490 -8.4966 -8.4966 -8.4028 -8.4028 -8.3811 -8.3811 -8.2137 -8.2137 -7.6965 -7.6965 -2.4451 -2.4451 -0.5019 -0.5019 0.7688 0.7688 0.9316 0.9316 2.1936 2.1936 2.5030 2.5030 3.6807 3.6807 4.1641 4.1641 5.3231 5.3231 5.4952 5.4952 5.5445 5.5445 5.5849 5.5849 5.8041 5.8041 5.9913 5.9913 9.5547 9.5547 10.4514 10.4514 10.9275 10.9275 11.3983 11.3983 12.2115 12.2115 12.9775 12.9775 k = 0.0000 0.3590 0.2836 ( 4858 PWs) bands (ev): -13.0229 -13.0229 -13.0070 -13.0070 -11.5475 -11.5475 -11.3496 -11.3496 -10.9940 -10.9940 -10.9867 -10.9867 -10.5268 -10.5268 -9.8660 -9.8660 -8.5465 -8.5465 -8.4987 -8.4987 -8.4008 -8.4008 -8.3808 -8.3808 -8.1978 -8.1978 -7.7200 -7.7200 -2.3984 -2.3984 -0.6077 -0.6077 0.8215 0.8215 0.9829 0.9829 2.1389 2.1389 2.4289 2.4289 3.6862 3.6862 4.1384 4.1384 5.3349 5.3349 5.4942 5.4942 5.5487 5.5487 5.5888 5.5888 5.8210 5.8210 5.9952 5.9952 9.6222 9.6222 10.4337 10.4337 10.9855 10.9855 11.4493 11.4493 12.1808 12.1808 12.9507 12.9507 k = 0.0000 0.3718 0.2836 ( 4862 PWs) bands (ev): -13.0215 -13.0215 -13.0067 -13.0067 -11.5384 -11.5384 -11.3576 -11.3576 -10.9936 -10.9936 -10.9868 -10.9868 -10.4978 -10.4978 -9.8927 -9.8927 -8.5441 -8.5441 -8.5009 -8.5009 -8.3989 -8.3989 -8.3805 -8.3805 -8.1813 -8.1813 -7.7438 -7.7438 -2.3482 -2.3482 -0.7125 -0.7125 0.8756 0.8756 1.0356 1.0356 2.0827 2.0827 2.3548 2.3548 3.6939 3.6939 4.1125 4.1125 5.3465 5.3465 5.4924 5.4924 5.5524 5.5524 5.5917 5.5917 5.8382 5.8382 5.9987 5.9987 9.6850 9.6850 10.4113 10.4113 11.0485 11.0485 11.5067 11.5067 12.1450 12.1450 12.9210 12.9210 k = 0.0000 0.3846 0.2836 ( 4870 PWs) bands (ev): -13.0201 -13.0201 -13.0066 -13.0066 -11.5293 -11.5293 -11.3658 -11.3658 -10.9932 -10.9932 -10.9869 -10.9869 -10.4682 -10.4682 -9.9201 -9.9201 -8.5418 -8.5418 -8.5030 -8.5030 -8.3970 -8.3970 -8.3804 -8.3804 -8.1641 -8.1641 -7.7678 -7.7678 -2.2946 -2.2946 -0.8161 -0.8161 0.9308 0.9308 1.0896 1.0896 2.0252 2.0252 2.2810 2.2810 3.7036 3.7036 4.0865 4.0865 5.3578 5.3578 5.4900 5.4900 5.5557 5.5557 5.5936 5.5936 5.8553 5.8553 6.0015 6.0015 9.7434 9.7434 10.3857 10.3857 11.1140 11.1140 11.5708 11.5708 12.1050 12.1050 12.8872 12.8872 k = 0.0000 0.3974 0.2836 ( 4870 PWs) bands (ev): -13.0187 -13.0187 -13.0066 -13.0066 -11.5200 -11.5200 -11.3741 -11.3741 -10.9928 -10.9928 -10.9871 -10.9871 -10.4382 -10.4382 -9.9481 -9.9481 -8.5394 -8.5394 -8.5052 -8.5052 -8.3953 -8.3953 -8.3804 -8.3804 -8.1462 -8.1462 -7.7920 -7.7920 -2.2376 -2.2376 -0.9182 -0.9182 0.9872 0.9872 1.1450 1.1450 1.9666 1.9666 2.2074 2.2074 3.7153 3.7153 4.0604 4.0604 5.3688 5.3688 5.4870 5.4870 5.5588 5.5588 5.5946 5.5946 5.8721 5.8721 6.0034 6.0034 9.7975 9.7975 10.3584 10.3584 11.1798 11.1798 11.6415 11.6415 12.0620 12.0620 12.8487 12.8487 k = 0.0000 0.4103 0.2836 ( 4870 PWs) bands (ev): -13.0174 -13.0174 -13.0066 -13.0066 -11.5107 -11.5107 -11.3827 -11.3827 -10.9923 -10.9923 -10.9872 -10.9872 -10.4078 -10.4078 -9.9766 -9.9766 -8.5371 -8.5371 -8.5073 -8.5073 -8.3936 -8.3936 -8.3805 -8.3805 -8.1277 -8.1277 -7.8163 -7.8163 -2.1771 -2.1771 -1.0188 -1.0188 1.0446 1.0446 1.2017 1.2017 1.9070 1.9070 2.1343 2.1343 3.7288 3.7288 4.0344 4.0344 5.3795 5.3795 5.4834 5.4834 5.5617 5.5617 5.5948 5.5948 5.8884 5.8884 6.0044 6.0044 9.8476 9.8476 10.3301 10.3301 11.2445 11.2445 11.7181 11.7181 12.0167 12.0167 12.8047 12.8047 k = 0.0000 0.4231 0.2836 ( 4878 PWs) bands (ev): -13.0161 -13.0161 -13.0068 -13.0068 -11.5014 -11.5014 -11.3913 -11.3913 -10.9919 -10.9919 -10.9875 -10.9875 -10.3770 -10.3770 -10.0057 -10.0057 -8.5349 -8.5349 -8.5094 -8.5094 -8.3919 -8.3919 -8.3807 -8.3807 -8.1086 -8.1086 -7.8406 -7.8406 -2.1134 -2.1134 -1.1176 -1.1176 1.1029 1.1029 1.2597 1.2597 1.8467 1.8467 2.0618 2.0618 3.7439 3.7439 4.0086 4.0086 5.3899 5.3899 5.4792 5.4792 5.5645 5.5645 5.5943 5.5943 5.9041 5.9041 6.0042 6.0042 9.8942 9.8942 10.3011 10.3011 11.3075 11.3075 11.7984 11.7984 11.9711 11.9711 12.7551 12.7551 k = 0.0000 0.4359 0.2836 ( 4878 PWs) bands (ev): -13.0149 -13.0149 -13.0071 -13.0071 -11.4921 -11.4921 -11.4001 -11.4001 -10.9915 -10.9915 -10.9877 -10.9877 -10.3459 -10.3459 -10.0353 -10.0353 -8.5327 -8.5327 -8.5115 -8.5115 -8.3904 -8.3904 -8.3810 -8.3810 -8.0889 -8.0889 -7.8647 -7.8647 -2.0463 -2.0463 -1.2144 -1.2144 1.1620 1.1620 1.3187 1.3187 1.7861 1.7861 1.9900 1.9900 3.7606 3.7606 3.9830 3.9830 5.3998 5.3998 5.4745 5.4745 5.5674 5.5674 5.5932 5.5932 5.9189 5.9189 6.0029 6.0029 9.9376 9.9376 10.2719 10.2719 11.3684 11.3684 11.8692 11.8692 11.9376 11.9376 12.6997 12.6997 k = 0.0000 0.4487 0.2836 ( 4874 PWs) bands (ev): -13.0137 -13.0137 -13.0074 -13.0074 -11.4827 -11.4827 -11.4089 -11.4089 -10.9911 -10.9911 -10.9880 -10.9880 -10.3146 -10.3146 -10.0654 -10.0654 -8.5305 -8.5305 -8.5136 -8.5136 -8.3890 -8.3890 -8.3815 -8.3815 -8.0686 -8.0686 -7.8888 -7.8888 -1.9760 -1.9760 -1.3092 -1.3092 1.2218 1.2218 1.3785 1.3785 1.7256 1.7256 1.9191 1.9191 3.7786 3.7786 3.9578 3.9578 5.4094 5.4094 5.4693 5.4693 5.5702 5.5702 5.5916 5.5916 5.9328 5.9328 6.0004 6.0004 9.9782 9.9782 10.2423 10.2423 11.4275 11.4275 11.8558 11.8558 11.9899 11.9899 12.6384 12.6384 k = 0.0000 0.4615 0.2836 ( 4874 PWs) bands (ev): -13.0127 -13.0127 -13.0079 -13.0079 -11.4733 -11.4733 -11.4179 -11.4179 -10.9907 -10.9907 -10.9883 -10.9883 -10.2832 -10.2832 -10.0958 -10.0958 -8.5283 -8.5283 -8.5157 -8.5157 -8.3877 -8.3877 -8.3820 -8.3820 -8.0478 -8.0478 -7.9126 -7.9126 -1.9026 -1.9026 -1.4017 -1.4017 1.2821 1.2821 1.4380 1.4380 1.6662 1.6662 1.8493 1.8493 3.7978 3.7978 3.9329 3.9329 5.4186 5.4186 5.4636 5.4636 5.5731 5.5731 5.5895 5.5895 5.9456 5.9456 5.9965 5.9965 10.0163 10.0163 10.2125 10.2125 11.4850 11.4850 11.8081 11.8081 12.0766 12.0766 12.5715 12.5715 k = 0.0000 0.4744 0.2836 ( 4872 PWs) bands (ev): -13.0117 -13.0117 -13.0085 -13.0085 -11.4640 -11.4640 -11.4270 -11.4270 -10.9902 -10.9902 -10.9887 -10.9887 -10.2517 -10.2517 -10.1266 -10.1266 -8.5262 -8.5262 -8.5177 -8.5177 -8.3864 -8.3864 -8.3827 -8.3827 -8.0264 -8.0264 -7.9361 -7.9361 -1.8262 -1.8262 -1.4919 -1.4919 1.3426 1.3426 1.4927 1.4927 1.6128 1.6128 1.7808 1.7808 3.8182 3.8182 3.9086 3.9086 5.4273 5.4273 5.4573 5.4573 5.5760 5.5760 5.5872 5.5872 5.9573 5.9573 5.9913 5.9913 10.0523 10.0523 10.1822 10.1822 11.5412 11.5412 11.7568 11.7568 12.1658 12.1658 12.4990 12.4990 k = 0.0000 0.4872 0.2836 ( 4880 PWs) bands (ev): -13.0107 -13.0107 -13.0091 -13.0091 -11.4547 -11.4547 -11.4362 -11.4362 -10.9898 -10.9898 -10.9891 -10.9891 -10.2202 -10.2202 -10.1576 -10.1576 -8.5241 -8.5241 -8.5198 -8.5198 -8.3853 -8.3853 -8.3834 -8.3834 -8.0045 -8.0045 -7.9593 -7.9593 -1.7468 -1.7468 -1.5795 -1.5795 1.4028 1.4028 1.5071 1.5071 1.6008 1.6008 1.7140 1.7140 3.8395 3.8395 3.8848 3.8848 5.4355 5.4355 5.4506 5.4506 5.5790 5.5790 5.5846 5.5846 5.9677 5.9677 5.9848 5.9848 10.0866 10.0866 10.1513 10.1513 11.5964 11.5964 11.7042 11.7042 12.2540 12.2540 12.4216 12.4216 k = 0.0000 0.5000 0.2836 ( 4876 PWs) bands (ev): -13.0099 -13.0099 -13.0099 -13.0099 -11.4454 -11.4454 -11.4454 -11.4454 -10.9894 -10.9894 -10.9894 -10.9894 -10.1888 -10.1888 -10.1888 -10.1888 -8.5219 -8.5219 -8.5219 -8.5219 -8.3843 -8.3843 -8.3843 -8.3843 -7.9821 -7.9821 -7.9821 -7.9821 -1.6645 -1.6645 -1.6645 -1.6645 1.4610 1.4610 1.4610 1.4610 1.6507 1.6507 1.6507 1.6507 3.8618 3.8618 3.8618 3.8618 5.4433 5.4433 5.4433 5.4433 5.5818 5.5818 5.5818 5.5818 5.9769 5.9769 5.9769 5.9769 10.1195 10.1195 10.1195 10.1195 11.6506 11.6506 11.6507 11.6507 12.3396 12.3396 12.3396 12.3396 k = 0.0000 0.5000 0.2836 ( 4876 PWs) bands (ev): -13.0099 -13.0099 -13.0099 -13.0099 -11.4454 -11.4454 -11.4454 -11.4454 -10.9894 -10.9894 -10.9894 -10.9894 -10.1888 -10.1888 -10.1888 -10.1888 -8.5219 -8.5219 -8.5219 -8.5219 -8.3843 -8.3843 -8.3843 -8.3843 -7.9821 -7.9821 -7.9821 -7.9821 -1.6645 -1.6645 -1.6645 -1.6645 1.4610 1.4610 1.4610 1.4610 1.6507 1.6507 1.6507 1.6507 3.8618 3.8618 3.8618 3.8618 5.4433 5.4433 5.4433 5.4433 5.5818 5.5818 5.5818 5.5818 5.9769 5.9769 5.9769 5.9769 10.1195 10.1195 10.1195 10.1195 11.6506 11.6506 11.6507 11.6507 12.3396 12.3396 12.3396 12.3396 k = 0.0128 0.5000 0.2836 ( 4876 PWs) bands (ev): -13.0099 -13.0099 -13.0098 -13.0098 -11.4484 -11.4484 -11.4426 -11.4426 -10.9902 -10.9902 -10.9885 -10.9885 -10.1951 -10.1951 -10.1821 -10.1821 -8.5227 -8.5227 -8.5208 -8.5208 -8.3847 -8.3847 -8.3840 -8.3840 -7.9840 -7.9840 -7.9797 -7.9797 -1.6690 -1.6690 -1.6657 -1.6657 1.4030 1.4030 1.4671 1.4671 1.6527 1.6527 1.7079 1.7079 3.8586 3.8586 3.8656 3.8656 5.4408 5.4408 5.4437 5.4437 5.5800 5.5800 5.5832 5.5832 5.9746 5.9746 5.9764 5.9764 10.1130 10.1130 10.1256 10.1256 11.6499 11.6499 11.6537 11.6537 12.3287 12.3287 12.3530 12.3530 k = 0.0256 0.5000 0.2836 ( 4880 PWs) bands (ev): -13.0100 -13.0100 -13.0098 -13.0098 -11.4516 -11.4516 -11.4399 -11.4399 -10.9908 -10.9908 -10.9873 -10.9873 -10.2007 -10.2007 -10.1748 -10.1748 -8.5232 -8.5232 -8.5193 -8.5193 -8.3850 -8.3850 -8.3837 -8.3837 -7.9853 -7.9853 -7.9766 -7.9766 -1.6792 -1.6792 -1.6726 -1.6726 1.3329 1.3329 1.4189 1.4189 1.7163 1.7163 1.7846 1.7846 3.8561 3.8561 3.8700 3.8700 5.4361 5.4361 5.4419 5.4419 5.5777 5.5777 5.5840 5.5840 5.9695 5.9695 5.9732 5.9732 10.1061 10.1061 10.1313 10.1313 11.6515 11.6515 11.6591 11.6591 12.3203 12.3203 12.3688 12.3688 k = 0.0385 0.5000 0.2836 ( 4884 PWs) bands (ev): -13.0100 -13.0100 -13.0097 -13.0097 -11.4550 -11.4550 -11.4376 -11.4376 -10.9912 -10.9912 -10.9860 -10.9860 -10.2057 -10.2057 -10.1671 -10.1671 -8.5234 -8.5234 -8.5175 -8.5175 -8.3854 -8.3854 -8.3834 -8.3834 -7.9860 -7.9860 -7.9730 -7.9730 -1.6950 -1.6950 -1.6850 -1.6850 1.2626 1.2626 1.3568 1.3568 1.8011 1.8011 1.8687 1.8687 3.8541 3.8541 3.8750 3.8750 5.4295 5.4295 5.4378 5.4378 5.5751 5.5751 5.5842 5.5842 5.9616 5.9616 5.9672 5.9672 10.0989 10.0989 10.1365 10.1365 11.6555 11.6555 11.6665 11.6665 12.3146 12.3146 12.3870 12.3870 k = 0.0513 0.5000 0.2836 ( 4884 PWs) bands (ev): -13.0100 -13.0100 -13.0097 -13.0097 -11.4584 -11.4584 -11.4355 -11.4355 -10.9914 -10.9914 -10.9845 -10.9845 -10.2100 -10.2100 -10.1590 -10.1590 -8.5233 -8.5233 -8.5154 -8.5154 -8.3858 -8.3858 -8.3832 -8.3832 -7.9860 -7.9860 -7.9688 -7.9688 -1.7164 -1.7164 -1.7030 -1.7030 1.1953 1.1953 1.2940 1.2940 1.8937 1.8937 1.9569 1.9569 3.8527 3.8527 3.8806 3.8806 5.4210 5.4210 5.4316 5.4316 5.5720 5.5720 5.5839 5.5839 5.9511 5.9511 5.9585 5.9585 10.0917 10.0917 10.1413 10.1413 11.6620 11.6620 11.6760 11.6760 12.3115 12.3115 12.4075 12.4075 k = 0.0641 0.5000 0.2836 ( 4880 PWs) bands (ev): -13.0100 -13.0100 -13.0096 -13.0096 -11.4619 -11.4619 -11.4337 -11.4337 -10.9915 -10.9915 -10.9828 -10.9828 -10.2136 -10.2136 -10.1505 -10.1505 -8.5228 -8.5228 -8.5129 -8.5129 -8.3863 -8.3863 -8.3829 -8.3829 -7.9854 -7.9854 -7.9640 -7.9640 -1.7432 -1.7432 -1.7263 -1.7263 1.1322 1.1322 1.2338 1.2338 1.9906 1.9906 2.0478 2.0478 3.8517 3.8517 3.8869 3.8869 5.4107 5.4107 5.4233 5.4233 5.5685 5.5685 5.5829 5.5829 5.9381 5.9381 5.9472 5.9472 10.0844 10.0844 10.1457 10.1457 11.6708 11.6708 11.6873 11.6873 12.3113 12.3113 12.4302 12.4302 k = 0.0769 0.5000 0.2836 ( 4888 PWs) bands (ev): -13.0100 -13.0100 -13.0095 -13.0095 -11.4654 -11.4654 -11.4323 -11.4323 -10.9914 -10.9914 -10.9809 -10.9809 -10.2164 -10.2164 -10.1417 -10.1417 -8.5221 -8.5221 -8.5102 -8.5102 -8.3867 -8.3867 -8.3827 -8.3827 -7.9842 -7.9842 -7.9587 -7.9587 -1.7752 -1.7752 -1.7548 -1.7548 1.0739 1.0739 1.1773 1.1773 2.0904 2.0904 2.1408 2.1408 3.8511 3.8511 3.8937 3.8937 5.3988 5.3988 5.4129 5.4129 5.5645 5.5645 5.5812 5.5812 5.9226 5.9226 5.9334 5.9334 10.0773 10.0773 10.1498 10.1498 11.6819 11.6819 11.7003 11.7003 12.3139 12.3139 12.4550 12.4550 k = 0.0897 0.5000 0.2836 ( 4888 PWs) bands (ev): -13.0099 -13.0099 -13.0094 -13.0094 -11.4690 -11.4690 -11.4311 -11.4311 -10.9911 -10.9911 -10.9788 -10.9788 -10.2185 -10.2185 -10.1327 -10.1327 -8.5211 -8.5211 -8.5071 -8.5071 -8.3872 -8.3872 -8.3825 -8.3825 -7.9823 -7.9823 -7.9529 -7.9529 -1.8122 -1.8122 -1.7883 -1.7883 1.0206 1.0206 1.1250 1.1250 2.1922 2.1922 2.2351 2.2351 3.8509 3.8509 3.9011 3.9011 5.3854 5.3854 5.4007 5.4007 5.5599 5.5599 5.5788 5.5788 5.9048 5.9048 5.9174 5.9174 10.0705 10.0705 10.1537 10.1537 11.6953 11.6953 11.7147 11.7147 12.3195 12.3195 12.4820 12.4820 k = 0.1026 0.5000 0.2836 ( 4880 PWs) bands (ev): -13.0099 -13.0099 -13.0093 -13.0093 -11.4725 -11.4725 -11.4304 -11.4304 -10.9908 -10.9908 -10.9766 -10.9766 -10.2199 -10.2199 -10.1235 -10.1235 -8.5198 -8.5198 -8.5037 -8.5037 -8.3877 -8.3877 -8.3823 -8.3823 -7.9798 -7.9798 -7.9466 -7.9466 -1.8540 -1.8540 -1.8265 -1.8265 0.9725 0.9725 1.0774 1.0774 2.2955 2.2955 2.3304 2.3304 3.8511 3.8511 3.9091 3.9091 5.3707 5.3707 5.3868 5.3868 5.5548 5.5548 5.5757 5.5757 5.8849 5.8849 5.8992 5.8992 10.0643 10.0643 10.1575 10.1575 11.7108 11.7108 11.7304 11.7304 12.3280 12.3280 12.5110 12.5110 k = 0.1154 0.5000 0.2836 ( 4868 PWs) bands (ev): -13.0098 -13.0098 -13.0092 -13.0092 -11.4760 -11.4760 -11.4299 -11.4299 -10.9903 -10.9903 -10.9743 -10.9743 -10.2204 -10.2204 -10.1142 -10.1142 -8.5183 -8.5183 -8.5000 -8.5000 -8.3882 -8.3882 -8.3821 -8.3821 -7.9766 -7.9766 -7.9397 -7.9397 -1.9002 -1.9002 -1.8691 -1.8691 0.9295 0.9295 1.0344 1.0344 2.3998 2.3998 2.4260 2.4260 3.8514 3.8514 3.9175 3.9175 5.3548 5.3548 5.3714 5.3714 5.5491 5.5491 5.5719 5.5719 5.8631 5.8631 5.8792 5.8792 10.0586 10.0586 10.1611 10.1611 11.7283 11.7283 11.7471 11.7471 12.3396 12.3396 12.5419 12.5419 k = 0.1282 0.5000 0.2836 ( 4868 PWs) bands (ev): -13.0098 -13.0098 -13.0091 -13.0091 -11.4795 -11.4795 -11.4299 -11.4299 -10.9897 -10.9897 -10.9719 -10.9719 -10.2201 -10.2201 -10.1048 -10.1048 -8.5165 -8.5165 -8.4961 -8.4961 -8.3887 -8.3887 -8.3820 -8.3820 -7.9727 -7.9727 -7.9324 -7.9324 -1.9504 -1.9504 -1.9158 -1.9158 0.8917 0.8917 0.9961 0.9961 2.5044 2.5044 2.5215 2.5215 3.8520 3.8520 3.9265 3.9265 5.3379 5.3379 5.3547 5.3547 5.5425 5.5425 5.5672 5.5672 5.8396 5.8396 5.8575 5.8575 10.0538 10.0538 10.1649 10.1649 11.7477 11.7477 11.7647 11.7647 12.3542 12.3542 12.5747 12.5747 k = 0.1410 0.5000 0.2836 ( 4876 PWs) bands (ev): -13.0097 -13.0097 -13.0089 -13.0089 -11.4828 -11.4828 -11.4301 -11.4301 -10.9889 -10.9889 -10.9694 -10.9694 -10.2190 -10.2190 -10.0954 -10.0954 -8.5146 -8.5146 -8.4920 -8.4920 -8.3893 -8.3893 -8.3819 -8.3819 -7.9682 -7.9682 -7.9246 -7.9246 -2.0043 -2.0043 -1.9663 -1.9663 0.8589 0.8589 0.9623 0.9623 2.6090 2.6090 2.6164 2.6164 3.8527 3.8527 3.9359 3.9359 5.3203 5.3203 5.3368 5.3368 5.5351 5.5351 5.5617 5.5617 5.8147 5.8147 5.8344 5.8344 10.0498 10.0498 10.1687 10.1687 11.7688 11.7688 11.7829 11.7829 12.3719 12.3719 12.6091 12.6091 k = 0.1538 0.5000 0.2836 ( 4868 PWs) bands (ev): -13.0096 -13.0096 -13.0088 -13.0088 -11.4860 -11.4860 -11.4308 -11.4308 -10.9881 -10.9881 -10.9669 -10.9669 -10.2171 -10.2171 -10.0860 -10.0860 -8.5124 -8.5124 -8.4877 -8.4877 -8.3899 -8.3899 -8.3817 -8.3817 -7.9629 -7.9629 -7.9164 -7.9164 -2.0613 -2.0613 -2.0201 -2.0201 0.8310 0.8310 0.9332 0.9332 2.7103 2.7103 2.7129 2.7129 3.8536 3.8536 3.9458 3.9458 5.3021 5.3021 5.3180 5.3180 5.5268 5.5268 5.5554 5.5554 5.7887 5.7887 5.8103 5.8103 10.0468 10.0468 10.1727 10.1727 11.7915 11.7915 11.8017 11.8017 12.3924 12.3924 12.6451 12.6451 k = 0.1667 0.5000 0.2836 ( 4868 PWs) bands (ev): -13.0095 -13.0095 -13.0087 -13.0087 -11.4892 -11.4892 -11.4317 -11.4317 -10.9872 -10.9872 -10.9644 -10.9644 -10.2144 -10.2144 -10.0767 -10.0767 -8.5101 -8.5101 -8.4832 -8.4832 -8.3905 -8.3905 -8.3816 -8.3816 -7.9570 -7.9570 -7.9077 -7.9077 -2.1211 -2.1211 -2.0768 -2.0768 0.8077 0.8077 0.9083 0.9083 2.8025 2.8025 2.8157 2.8157 3.8547 3.8547 3.9562 3.9562 5.2836 5.2836 5.2987 5.2987 5.5175 5.5175 5.5481 5.5481 5.7618 5.7618 5.7855 5.7855 10.0449 10.0449 10.1769 10.1769 11.8156 11.8156 11.8208 11.8208 12.4158 12.4158 12.6824 12.6824 k = 0.1795 0.5000 0.2836 ( 4864 PWs) bands (ev): -13.0094 -13.0094 -13.0086 -13.0086 -11.4922 -11.4922 -11.4330 -11.4330 -10.9862 -10.9862 -10.9618 -10.9618 -10.2110 -10.2110 -10.0677 -10.0677 -8.5076 -8.5076 -8.4786 -8.4786 -8.3911 -8.3911 -8.3815 -8.3815 -7.9504 -7.9504 -7.8987 -7.8987 -2.1831 -2.1831 -2.1361 -2.1361 0.7887 0.7887 0.8876 0.8876 2.8926 2.8926 2.9166 2.9166 3.8561 3.8561 3.9673 3.9673 5.2651 5.2651 5.2790 5.2790 5.5071 5.5071 5.5398 5.5398 5.7345 5.7345 5.7603 5.7603 10.0440 10.0440 10.1813 10.1813 11.8401 11.8401 11.8408 11.8408 12.4419 12.4419 12.7207 12.7207 k = 0.1923 0.5000 0.2836 ( 4852 PWs) bands (ev): -13.0093 -13.0093 -13.0084 -13.0084 -11.4950 -11.4950 -11.4346 -11.4346 -10.9851 -10.9851 -10.9593 -10.9593 -10.2067 -10.2067 -10.0588 -10.0588 -8.5049 -8.5049 -8.4738 -8.4738 -8.3917 -8.3917 -8.3814 -8.3814 -7.9431 -7.9431 -7.8893 -7.8893 -2.2469 -2.2469 -2.1974 -2.1974 0.7739 0.7739 0.8709 0.8709 2.9798 2.9798 3.0151 3.0151 3.8581 3.8581 3.9792 3.9792 5.2467 5.2467 5.2592 5.2592 5.4955 5.4955 5.5303 5.5303 5.7070 5.7070 5.7350 5.7350 10.0443 10.0443 10.1860 10.1860 11.8594 11.8594 11.8671 11.8671 12.4705 12.4705 12.7599 12.7599 k = 0.2051 0.5000 0.2836 ( 4852 PWs) bands (ev): -13.0092 -13.0092 -13.0083 -13.0083 -11.4976 -11.4976 -11.4364 -11.4364 -10.9839 -10.9839 -10.9569 -10.9569 -10.2017 -10.2017 -10.0502 -10.0502 -8.5021 -8.5021 -8.4691 -8.4691 -8.3924 -8.3924 -8.3814 -8.3814 -7.9351 -7.9351 -7.8796 -7.8796 -2.3120 -2.3120 -2.2603 -2.2603 0.7630 0.7630 0.8578 0.8578 3.0634 3.0634 3.1100 3.1100 3.8613 3.8613 3.9922 3.9922 5.2288 5.2288 5.2397 5.2397 5.4827 5.4827 5.5196 5.5196 5.6798 5.6798 5.7100 5.7100 10.0458 10.0458 10.1908 10.1908 11.8787 11.8787 11.8941 11.8941 12.5014 12.5014 12.7995 12.7995 k = 0.2179 0.5000 0.2836 ( 4856 PWs) bands (ev): -13.0091 -13.0091 -13.0082 -13.0082 -11.5001 -11.5001 -11.4385 -11.4385 -10.9827 -10.9827 -10.9546 -10.9546 -10.1960 -10.1960 -10.0419 -10.0419 -8.4991 -8.4991 -8.4643 -8.4643 -8.3930 -8.3930 -8.3813 -8.3813 -7.9265 -7.9265 -7.8696 -7.8696 -2.3780 -2.3780 -2.3244 -2.3244 0.7556 0.7556 0.8481 0.8481 3.1425 3.1425 3.2002 3.2002 3.8663 3.8663 4.0067 4.0067 5.2116 5.2116 5.2206 5.2206 5.4685 5.4685 5.5073 5.5073 5.6532 5.6532 5.6855 5.6855 10.0483 10.0483 10.1959 10.1959 11.8979 11.8979 11.9217 11.9217 12.5343 12.5343 12.8393 12.8393 k = 0.2308 0.5000 0.2836 ( 4852 PWs) bands (ev): -13.0090 -13.0090 -13.0080 -13.0080 -11.5024 -11.5024 -11.4409 -11.4409 -10.9814 -10.9814 -10.9524 -10.9524 -10.1896 -10.1896 -10.0340 -10.0340 -8.4961 -8.4961 -8.4596 -8.4596 -8.3937 -8.3937 -8.3813 -8.3813 -7.9173 -7.9173 -7.8594 -7.8594 -2.4443 -2.4443 -2.3893 -2.3893 0.7515 0.7515 0.8415 0.8415 3.2162 3.2162 3.2841 3.2841 3.8744 3.8744 4.0233 4.0233 5.1953 5.1953 5.2024 5.2024 5.4531 5.4531 5.4934 5.4934 5.6277 5.6277 5.6618 5.6618 10.0519 10.0519 10.2010 10.2010 11.9169 11.9169 11.9495 11.9495 12.5688 12.5688 12.8787 12.8787 k = 0.2436 0.5000 0.2836 ( 4852 PWs) bands (ev): -13.0089 -13.0089 -13.0079 -13.0079 -11.5046 -11.5046 -11.4435 -11.4435 -10.9800 -10.9800 -10.9504 -10.9504 -10.1827 -10.1827 -10.0265 -10.0265 -8.4929 -8.4929 -8.4549 -8.4549 -8.3943 -8.3943 -8.3813 -8.3813 -7.9075 -7.9075 -7.8490 -7.8490 -2.5106 -2.5106 -2.4545 -2.4545 0.7503 0.7503 0.8378 0.8378 3.2835 3.2835 3.3594 3.3594 3.8875 3.8875 4.0425 4.0425 5.1803 5.1803 5.1853 5.1853 5.4364 5.4364 5.4777 5.4777 5.6035 5.6035 5.6390 5.6390 10.0564 10.0564 10.2062 10.2062 11.9357 11.9357 11.9775 11.9775 12.6047 12.6047 12.9175 12.9175 k = 0.2564 0.5000 0.2836 ( 4852 PWs) bands (ev): -13.0088 -13.0088 -13.0078 -13.0078 -11.5065 -11.5065 -11.4462 -11.4462 -10.9786 -10.9786 -10.9485 -10.9485 -10.1751 -10.1751 -10.0195 -10.0195 -8.4897 -8.4897 -8.4503 -8.4503 -8.3950 -8.3950 -8.3813 -8.3813 -7.8972 -7.8972 -7.8385 -7.8385 -2.5764 -2.5764 -2.5196 -2.5196 0.7519 0.7519 0.8367 0.8367 3.3432 3.3432 3.4236 3.4236 3.9078 3.9078 4.0652 4.0652 5.1667 5.1667 5.1697 5.1697 5.4187 5.4187 5.4602 5.4602 5.5810 5.5810 5.6172 5.6172 10.0619 10.0619 10.2114 10.2114 11.9542 11.9542 12.0052 12.0052 12.6416 12.6416 12.9550 12.9550 k = 0.2692 0.5000 0.2836 ( 4864 PWs) bands (ev): -13.0086 -13.0086 -13.0077 -13.0077 -11.5082 -11.5082 -11.4491 -11.4491 -10.9771 -10.9771 -10.9468 -10.9468 -10.1671 -10.1671 -10.0129 -10.0129 -8.4864 -8.4864 -8.4459 -8.4459 -8.3956 -8.3956 -8.3813 -8.3813 -7.8864 -7.8864 -7.8279 -7.8279 -2.6413 -2.6413 -2.5843 -2.5843 0.7559 0.7559 0.8378 0.8378 3.3943 3.3943 3.4741 3.4741 3.9376 3.9376 4.0920 4.0920 5.1548 5.1548 5.1557 5.1557 5.3999 5.3999 5.4408 5.4408 5.5602 5.5602 5.5963 5.5963 10.0683 10.0683 10.2165 10.2165 11.9723 11.9723 12.0325 12.0325 12.6792 12.6792 12.9909 12.9909 k = 0.2821 0.5000 0.2836 ( 4864 PWs) bands (ev): -13.0085 -13.0085 -13.0076 -13.0076 -11.5097 -11.5097 -11.4522 -11.4522 -10.9756 -10.9756 -10.9453 -10.9453 -10.1585 -10.1585 -10.0070 -10.0070 -8.4831 -8.4831 -8.4417 -8.4417 -8.3963 -8.3963 -8.3813 -8.3813 -7.8752 -7.8752 -7.8173 -7.8173 -2.7050 -2.7050 -2.6481 -2.6481 0.7620 0.7620 0.8410 0.8410 3.4362 3.4362 3.5098 3.5098 3.9780 3.9780 4.1234 4.1234 5.1436 5.1436 5.1445 5.1445 5.3805 5.3805 5.4200 5.4200 5.5409 5.5409 5.5764 5.5764 10.0753 10.0753 10.2214 10.2214 11.9901 11.9901 12.0591 12.0591 12.7170 12.7170 13.0246 13.0246 k = 0.2949 0.5000 0.2836 ( 4868 PWs) bands (ev): -13.0084 -13.0084 -13.0074 -13.0074 -11.5110 -11.5110 -11.4553 -11.4553 -10.9740 -10.9740 -10.9439 -10.9439 -10.1496 -10.1496 -10.0016 -10.0016 -8.4797 -8.4797 -8.4378 -8.4378 -8.3968 -8.3968 -8.3814 -8.3814 -7.8636 -7.8636 -7.8067 -7.8067 -2.7669 -2.7669 -2.7106 -2.7106 0.7699 0.7699 0.8459 0.8459 3.4686 3.4686 3.5314 3.5314 4.0280 4.0280 4.1597 4.1597 5.1334 5.1334 5.1362 5.1362 5.3605 5.3605 5.3981 5.3981 5.5229 5.5229 5.5572 5.5572 10.0831 10.0831 10.2260 10.2260 12.0075 12.0075 12.0846 12.0846 12.7548 12.7548 13.0558 13.0558 k = 0.3077 0.5000 0.2836 ( 4860 PWs) bands (ev): -13.0082 -13.0082 -13.0073 -13.0073 -11.5121 -11.5121 -11.4586 -11.4586 -10.9724 -10.9724 -10.9428 -10.9428 -10.1404 -10.1404 -9.9968 -9.9968 -8.4763 -8.4763 -8.4341 -8.4341 -8.3973 -8.3973 -8.3815 -8.3815 -7.8517 -7.8517 -7.7963 -7.7963 -2.8268 -2.8268 -2.7715 -2.7715 0.7795 0.7795 0.8522 0.8522 3.4917 3.4917 3.5414 3.5414 4.0852 4.0852 4.2003 4.2003 5.1255 5.1255 5.1298 5.1298 5.3404 5.3404 5.3756 5.3756 5.5059 5.5059 5.5387 5.5387 10.0913 10.0913 10.2302 10.2302 12.0246 12.0246 12.1090 12.1090 12.7920 12.7920 13.0840 13.0840 k = 0.3205 0.5000 0.2836 ( 4864 PWs) bands (ev): -13.0081 -13.0081 -13.0072 -13.0072 -11.5130 -11.5130 -11.4619 -11.4619 -10.9708 -10.9708 -10.9419 -10.9419 -10.1309 -10.1309 -9.9926 -9.9926 -8.4729 -8.4729 -8.4308 -8.4308 -8.3978 -8.3978 -8.3816 -8.3816 -7.8397 -7.8397 -7.7862 -7.7862 -2.8844 -2.8844 -2.8306 -2.8306 0.7904 0.7904 0.8597 0.8597 3.5064 3.5064 3.5425 3.5425 4.1466 4.1466 4.2445 4.2445 5.1196 5.1196 5.1253 5.1253 5.3202 5.3202 5.3527 5.3527 5.4895 5.4895 5.5207 5.5207 10.1000 10.1000 10.2341 10.2341 12.0412 12.0412 12.1318 12.1318 12.8285 12.8285 13.1090 13.1090 k = 0.3333 0.5000 0.2836 ( 4856 PWs) bands (ev): -13.0080 -13.0080 -13.0071 -13.0071 -11.5136 -11.5136 -11.4652 -11.4652 -10.9691 -10.9691 -10.9412 -10.9412 -10.1212 -10.1212 -9.9892 -9.9892 -8.4695 -8.4695 -8.4279 -8.4279 -8.3981 -8.3981 -8.3817 -8.3817 -7.8276 -7.8276 -7.7763 -7.7763 -2.9393 -2.9393 -2.8873 -2.8873 0.8023 0.8023 0.8680 0.8680 3.5137 3.5137 3.5374 3.5374 4.2099 4.2099 4.2914 4.2914 5.1158 5.1158 5.1226 5.1226 5.3002 5.3002 5.3299 5.3299 5.4737 5.4737 5.5031 5.5031 10.1091 10.1091 10.2374 10.2374 12.0574 12.0574 12.1529 12.1529 12.8638 12.8638 13.1305 13.1305 k = 0.3462 0.5000 0.2836 ( 4852 PWs) bands (ev): -13.0078 -13.0078 -13.0071 -13.0071 -11.5141 -11.5141 -11.4685 -11.4685 -10.9674 -10.9674 -10.9406 -10.9406 -10.1114 -10.1114 -9.9864 -9.9864 -8.4661 -8.4661 -8.4254 -8.4254 -8.3981 -8.3981 -8.3819 -8.3819 -7.8156 -7.8156 -7.7669 -7.7669 -2.9912 -2.9912 -2.9415 -2.9415 0.8150 0.8150 0.8770 0.8770 3.5149 3.5149 3.5281 3.5281 4.2732 4.2732 4.3398 4.3398 5.1140 5.1140 5.1218 5.1218 5.2806 5.2806 5.3074 5.3074 5.4581 5.4581 5.4858 5.4858 10.1183 10.1183 10.2401 10.2401 12.0732 12.0732 12.1720 12.1720 12.8978 12.8978 13.1485 13.1485 k = 0.3590 0.5000 0.2836 ( 4852 PWs) bands (ev): -13.0077 -13.0077 -13.0070 -13.0070 -11.5143 -11.5143 -11.4719 -11.4719 -10.9657 -10.9657 -10.9403 -10.9403 -10.1016 -10.1016 -9.9843 -9.9843 -8.4627 -8.4627 -8.4235 -8.4235 -8.3980 -8.3980 -8.3821 -8.3821 -7.8037 -7.8037 -7.7579 -7.7579 -3.0399 -3.0399 -2.9927 -2.9927 0.8283 0.8283 0.8862 0.8862 3.5113 3.5113 3.5159 3.5159 4.3351 4.3351 4.3887 4.3887 5.1140 5.1140 5.1226 5.1226 5.2617 5.2617 5.2853 5.2853 5.4428 5.4428 5.4687 5.4687 10.1277 10.1277 10.2422 10.2422 12.0886 12.0886 12.1891 12.1891 12.9301 12.9301 13.1630 13.1630 k = 0.3718 0.5000 0.2836 ( 4860 PWs) bands (ev): -13.0076 -13.0076 -13.0069 -13.0069 -11.5143 -11.5143 -11.4752 -11.4752 -10.9640 -10.9640 -10.9402 -10.9402 -10.0918 -10.0918 -9.9829 -9.9829 -8.4594 -8.4594 -8.4221 -8.4221 -8.3976 -8.3976 -8.3823 -8.3823 -7.7921 -7.7921 -7.7495 -7.7495 -3.0850 -3.0850 -3.0409 -3.0409 0.8418 0.8418 0.8955 0.8955 3.5021 3.5021 3.5041 3.5041 4.3947 4.3947 4.4371 4.4371 5.1155 5.1155 5.1249 5.1249 5.2434 5.2434 5.2639 5.2639 5.4276 5.4276 5.4519 5.4519 10.1372 10.1372 10.2436 10.2436 12.1036 12.1036 12.2038 12.2038 12.9606 12.9606 13.1741 13.1741 k = 0.3846 0.5000 0.2836 ( 4860 PWs) bands (ev): -13.0075 -13.0075 -13.0069 -13.0069 -11.5141 -11.5141 -11.4784 -11.4784 -10.9622 -10.9622 -10.9403 -10.9403 -10.0821 -10.0821 -9.9823 -9.9823 -8.4562 -8.4562 -8.4213 -8.4213 -8.3970 -8.3970 -8.3826 -8.3826 -7.7809 -7.7809 -7.7418 -7.7418 -3.1264 -3.1264 -3.0856 -3.0856 0.8553 0.8553 0.9046 0.9046 3.4875 3.4875 3.4942 3.4942 4.4513 4.4513 4.4842 4.4842 5.1182 5.1182 5.1283 5.1283 5.2262 5.2262 5.2433 5.2433 5.4128 5.4128 5.4353 5.4353 10.1466 10.1466 10.2443 10.2443 12.1183 12.1183 12.2162 12.2162 12.9892 12.9892 13.1822 13.1822 k = 0.3974 0.5000 0.2836 ( 4856 PWs) bands (ev): -13.0074 -13.0074 -13.0068 -13.0068 -11.5137 -11.5137 -11.4816 -11.4816 -10.9605 -10.9605 -10.9405 -10.9405 -10.0725 -10.0725 -9.9823 -9.9823 -8.4530 -8.4530 -8.4211 -8.4211 -8.3961 -8.3961 -8.3829 -8.3829 -7.7703 -7.7703 -7.7349 -7.7349 -3.1638 -3.1638 -3.1266 -3.1266 0.8686 0.8686 0.9132 0.9132 3.4729 3.4729 3.4827 3.4827 4.5044 4.5044 4.5294 4.5294 5.1215 5.1215 5.1326 5.1326 5.2104 5.2104 5.2238 5.2238 5.3983 5.3983 5.4190 5.4190 10.1559 10.1559 10.2443 10.2443 12.1325 12.1325 12.2262 12.2262 13.0157 13.0157 13.1874 13.1874 k = 0.4103 0.5000 0.2836 ( 4856 PWs) bands (ev): -13.0073 -13.0073 -13.0068 -13.0068 -11.5131 -11.5131 -11.4847 -11.4847 -10.9588 -10.9588 -10.9410 -10.9410 -10.0632 -10.0632 -9.9831 -9.9831 -8.4499 -8.4499 -8.4213 -8.4213 -8.3951 -8.3951 -8.3832 -8.3832 -7.7602 -7.7602 -7.7288 -7.7288 -3.1969 -3.1969 -3.1637 -3.1637 0.8814 0.8814 0.9211 0.9211 3.4589 3.4589 3.4704 3.4704 4.5534 4.5534 4.5719 4.5719 5.1246 5.1246 5.1371 5.1371 5.1966 5.1966 5.2059 5.2059 5.3842 5.3842 5.4031 5.4031 10.1649 10.1649 10.2435 10.2435 12.1462 12.1462 12.2336 12.2336 13.0401 13.0401 13.1901 13.1901 k = 0.4231 0.5000 0.2836 ( 4860 PWs) bands (ev): -13.0072 -13.0072 -13.0067 -13.0067 -11.5122 -11.5122 -11.4877 -11.4877 -10.9571 -10.9571 -10.9415 -10.9415 -10.0542 -10.0542 -9.9847 -9.9847 -8.4469 -8.4469 -8.4220 -8.4220 -8.3939 -8.3939 -8.3836 -8.3836 -7.7510 -7.7510 -7.7237 -7.7237 -3.2256 -3.2256 -3.1967 -3.1967 0.8935 0.8935 0.9280 0.9280 3.4460 3.4460 3.4579 3.4579 4.5979 4.5979 4.6111 4.6111 5.1264 5.1264 5.1407 5.1407 5.1859 5.1859 5.1905 5.1905 5.3709 5.3709 5.3878 5.3878 10.1738 10.1738 10.2420 10.2420 12.1595 12.1595 12.2387 12.2387 13.0624 13.0624 13.1904 13.1904 k = 0.4359 0.5000 0.2836 ( 4868 PWs) bands (ev): -13.0071 -13.0071 -13.0067 -13.0067 -11.5112 -11.5112 -11.4907 -11.4907 -10.9554 -10.9554 -10.9423 -10.9423 -10.0455 -10.0455 -9.9870 -9.9870 -8.4440 -8.4440 -8.4229 -8.4229 -8.3928 -8.3928 -8.3841 -8.3841 -7.7426 -7.7426 -7.7196 -7.7196 -3.2498 -3.2498 -3.2253 -3.2253 0.9046 0.9046 0.9337 0.9337 3.4346 3.4346 3.4460 3.4460 4.6373 4.6373 4.6465 4.6465 5.1253 5.1253 5.1407 5.1407 5.1796 5.1796 5.1803 5.1803 5.3585 5.3585 5.3733 5.3733 10.1823 10.1823 10.2398 10.2398 12.1723 12.1723 12.2413 12.2413 13.0826 13.0826 13.1888 13.1888 k = 0.4487 0.5000 0.2836 ( 4864 PWs) bands (ev): -13.0070 -13.0070 -13.0067 -13.0067 -11.5100 -11.5100 -11.4934 -11.4934 -10.9538 -10.9538 -10.9431 -10.9431 -10.0371 -10.0371 -9.9900 -9.9900 -8.4412 -8.4412 -8.4242 -8.4242 -8.3916 -8.3916 -8.3846 -8.3846 -7.7351 -7.7351 -7.7166 -7.7166 -3.2694 -3.2694 -3.2495 -3.2495 0.9145 0.9145 0.9381 0.9381 3.4251 3.4251 3.4352 3.4352 4.6711 4.6711 4.6772 4.6772 5.1211 5.1211 5.1349 5.1349 5.1774 5.1774 5.1781 5.1781 5.3475 5.3475 5.3600 5.3600 10.1904 10.1904 10.2368 10.2368 12.1844 12.1844 12.2418 12.2418 13.1009 13.1009 13.1854 13.1854 k = 0.4615 0.5000 0.2836 ( 4856 PWs) bands (ev): -13.0069 -13.0069 -13.0067 -13.0067 -11.5085 -11.5085 -11.4961 -11.4961 -10.9522 -10.9522 -10.9441 -10.9441 -10.0293 -10.0293 -9.9937 -9.9937 -8.4386 -8.4386 -8.4257 -8.4257 -8.3904 -8.3904 -8.3852 -8.3852 -7.7287 -7.7287 -7.7147 -7.7147 -3.2841 -3.2841 -3.2690 -3.2690 0.9232 0.9232 0.9410 0.9410 3.4178 3.4178 3.4260 3.4260 4.6987 4.6987 4.7025 4.7025 5.1152 5.1152 5.1257 5.1257 5.1794 5.1794 5.1798 5.1798 5.3384 5.3384 5.3482 5.3482 10.1981 10.1981 10.2331 10.2331 12.1958 12.1958 12.2401 12.2401 13.1172 13.1172 13.1803 13.1803 k = 0.4744 0.5000 0.2836 ( 4844 PWs) bands (ev): -13.0069 -13.0069 -13.0067 -13.0067 -11.5069 -11.5069 -11.4985 -11.4985 -10.9506 -10.9506 -10.9452 -10.9452 -10.0219 -10.0219 -9.9980 -9.9980 -8.4360 -8.4360 -8.4274 -8.4274 -8.3893 -8.3893 -8.3859 -8.3859 -7.7233 -7.7233 -7.7140 -7.7140 -3.2939 -3.2939 -3.2838 -3.2838 0.9304 0.9304 0.9423 0.9423 3.4129 3.4129 3.4186 3.4186 4.7193 4.7193 4.7215 4.7215 5.1098 5.1098 5.1167 5.1167 5.1827 5.1827 5.1827 5.1827 5.3317 5.3317 5.3385 5.3385 10.2053 10.2053 10.2288 10.2288 12.2063 12.2063 12.2364 12.2364 13.1318 13.1318 13.1736 13.1736 k = 0.4872 0.5000 0.2836 ( 4848 PWs) bands (ev): -13.0068 -13.0068 -13.0067 -13.0067 -11.5051 -11.5051 -11.5009 -11.5009 -10.9492 -10.9492 -10.9464 -10.9464 -10.0150 -10.0150 -10.0031 -10.0031 -8.4336 -8.4336 -8.4293 -8.4293 -8.3883 -8.3883 -8.3866 -8.3866 -7.7192 -7.7192 -7.7145 -7.7145 -3.2988 -3.2988 -3.2937 -3.2937 0.9359 0.9359 0.9419 0.9419 3.4106 3.4106 3.4135 3.4135 4.7322 4.7322 4.7332 4.7332 5.1066 5.1066 5.1099 5.1099 5.1851 5.1851 5.1852 5.1852 5.3281 5.3281 5.3316 5.3316 10.2120 10.2120 10.2238 10.2238 12.2158 12.2158 12.2311 12.2311 13.1446 13.1446 13.1655 13.1655 k = 0.5000 0.5000 0.2836 ( 4848 PWs) bands (ev): -13.0068 -13.0068 -13.0068 -13.0068 -11.5031 -11.5031 -11.5031 -11.5031 -10.9478 -10.9478 -10.9478 -10.9478 -10.0087 -10.0087 -10.0087 -10.0087 -8.4314 -8.4314 -8.4314 -8.4314 -8.3874 -8.3874 -8.3874 -8.3874 -7.7162 -7.7162 -7.7162 -7.7162 -3.2987 -3.2987 -3.2987 -3.2987 0.9398 0.9398 0.9398 0.9398 3.4108 3.4108 3.4108 3.4108 4.7369 4.7369 4.7369 4.7369 5.1065 5.1065 5.1065 5.1065 5.1861 5.1861 5.1861 5.1861 5.3281 5.3281 5.3281 5.3281 10.2182 10.2182 10.2182 10.2182 12.2241 12.2241 12.2241 12.2241 13.1558 13.1558 13.1558 13.1558 k = 0.5000 0.5000 0.2836 ( 4848 PWs) bands (ev): -13.0068 -13.0068 -13.0068 -13.0068 -11.5031 -11.5031 -11.5031 -11.5031 -10.9478 -10.9478 -10.9478 -10.9478 -10.0087 -10.0087 -10.0087 -10.0087 -8.4314 -8.4314 -8.4314 -8.4314 -8.3874 -8.3874 -8.3874 -8.3874 -7.7162 -7.7162 -7.7162 -7.7162 -3.2987 -3.2987 -3.2987 -3.2987 0.9398 0.9398 0.9398 0.9398 3.4108 3.4108 3.4108 3.4108 4.7369 4.7369 4.7369 4.7369 5.1065 5.1065 5.1065 5.1065 5.1861 5.1861 5.1861 5.1861 5.3281 5.3281 5.3281 5.3281 10.2182 10.2182 10.2182 10.2182 12.2241 12.2241 12.2241 12.2241 13.1558 13.1558 13.1558 13.1558 k = 0.4909 0.4909 0.2836 ( 4848 PWs) bands (ev): -13.0068 -13.0068 -13.0067 -13.0067 -11.5051 -11.5051 -11.5009 -11.5009 -10.9492 -10.9492 -10.9464 -10.9464 -10.0151 -10.0151 -10.0030 -10.0030 -8.4336 -8.4336 -8.4293 -8.4293 -8.3883 -8.3883 -8.3866 -8.3866 -7.7193 -7.7193 -7.7143 -7.7143 -3.2994 -3.2994 -3.2930 -3.2930 0.9352 0.9352 0.9426 0.9426 3.4089 3.4089 3.4151 3.4151 4.7291 4.7291 4.7362 4.7362 5.1065 5.1065 5.1101 5.1101 5.1841 5.1841 5.1862 5.1862 5.3280 5.3280 5.3318 5.3318 10.2117 10.2117 10.2242 10.2242 12.2158 12.2158 12.2311 12.2311 13.1446 13.1446 13.1655 13.1655 k = 0.4818 0.4818 0.2836 ( 4850 PWs) bands (ev): -13.0069 -13.0069 -13.0067 -13.0067 -11.5070 -11.5070 -11.4985 -11.4985 -10.9506 -10.9506 -10.9452 -10.9452 -10.0222 -10.0222 -9.9977 -9.9977 -8.4361 -8.4361 -8.4274 -8.4274 -8.3894 -8.3894 -8.3859 -8.3859 -7.7244 -7.7244 -7.7129 -7.7129 -3.2979 -3.2979 -3.2796 -3.2796 0.9260 0.9260 0.9467 0.9467 3.4046 3.4046 3.4270 3.4270 4.7066 4.7066 4.7342 4.7342 5.1092 5.1092 5.1173 5.1173 5.1787 5.1787 5.1865 5.1865 5.3309 5.3309 5.3394 5.3394 10.2027 10.2027 10.2314 10.2314 12.2059 12.2059 12.2368 12.2368 13.1319 13.1319 13.1734 13.1734 k = 0.4727 0.4727 0.2836 ( 4854 PWs) bands (ev): -13.0070 -13.0070 -13.0066 -13.0066 -11.5088 -11.5088 -11.4958 -11.4958 -10.9522 -10.9522 -10.9441 -10.9441 -10.0302 -10.0302 -9.9927 -9.9927 -8.4386 -8.4386 -8.4257 -8.4257 -8.3905 -8.3905 -8.3852 -8.3852 -7.7319 -7.7319 -7.7115 -7.7115 -3.2951 -3.2951 -3.2577 -3.2577 0.9115 0.9115 0.9529 0.9529 3.3976 3.3976 3.4464 3.4464 4.6708 4.6708 4.7307 4.7307 5.1139 5.1139 5.1272 5.1272 5.1714 5.1714 5.1871 5.1871 5.3364 5.3364 5.3502 5.3502 10.1901 10.1901 10.2410 10.2410 12.1944 12.1944 12.2412 12.2412 13.1178 13.1178 13.1796 13.1796 k = 0.4636 0.4636 0.2836 ( 4850 PWs) bands (ev): -13.0072 -13.0072 -13.0065 -13.0065 -11.5105 -11.5105 -11.4929 -11.4929 -10.9538 -10.9538 -10.9431 -10.9431 -10.0394 -10.0394 -9.9878 -9.9878 -8.4413 -8.4413 -8.4241 -8.4241 -8.3917 -8.3917 -8.3845 -8.3845 -7.7418 -7.7418 -7.7097 -7.7097 -3.2912 -3.2912 -3.2273 -3.2273 0.8917 0.8917 0.9616 0.9616 3.3880 3.3880 3.4730 3.4730 4.6232 4.6232 4.7259 4.7259 5.1195 5.1195 5.1377 5.1377 5.1646 5.1646 5.1879 5.1879 5.3444 5.3444 5.3634 5.3634 10.1734 10.1734 10.2533 10.2533 12.1812 12.1812 12.2443 12.2443 13.1023 13.1023 13.1835 13.1835 k = 0.4545 0.4545 0.2836 ( 4858 PWs) bands (ev): -13.0074 -13.0074 -13.0064 -13.0064 -11.5123 -11.5123 -11.4896 -11.4896 -10.9555 -10.9555 -10.9422 -10.9422 -10.0497 -10.0497 -9.9829 -9.9829 -8.4441 -8.4441 -8.4228 -8.4228 -8.3930 -8.3930 -8.3840 -8.3840 -7.7542 -7.7542 -7.7077 -7.7077 -3.2860 -3.2860 -3.1886 -3.1886 0.8672 0.8672 0.9727 0.9727 3.3761 3.3761 3.5059 3.5059 4.5653 4.5653 4.7198 4.7198 5.1240 5.1240 5.1448 5.1448 5.1641 5.1641 5.1892 5.1892 5.3548 5.3548 5.3781 5.3781 10.1527 10.1527 10.2682 10.2682 12.1659 12.1659 12.2461 12.2461 13.0854 13.0854 13.1850 13.1850 k = 0.4455 0.4455 0.2836 ( 4858 PWs) bands (ev): -13.0076 -13.0076 -13.0063 -13.0063 -11.5140 -11.5140 -11.4860 -11.4860 -10.9572 -10.9572 -10.9414 -10.9414 -10.0613 -10.0613 -9.9778 -9.9778 -8.4470 -8.4470 -8.4216 -8.4216 -8.3944 -8.3944 -8.3835 -8.3835 -7.7688 -7.7688 -7.7052 -7.7052 -3.2798 -3.2798 -3.1419 -3.1419 0.8384 0.8384 0.9862 0.9862 3.3620 3.3620 3.5446 3.5446 4.4984 4.4984 4.7124 4.7124 5.1234 5.1234 5.1492 5.1492 5.1722 5.1722 5.1915 5.1915 5.3676 5.3676 5.3939 5.3939 10.1281 10.1281 10.2856 10.2856 12.1482 12.1482 12.2467 12.2467 13.0671 13.0671 13.1836 13.1836 k = 0.4364 0.4364 0.2836 ( 4860 PWs) bands (ev): -13.0080 -13.0080 -13.0062 -13.0062 -11.5159 -11.5159 -11.4820 -11.4820 -10.9590 -10.9590 -10.9407 -10.9407 -10.0742 -10.0742 -9.9725 -9.9725 -8.4500 -8.4500 -8.4207 -8.4207 -8.3959 -8.3959 -8.3830 -8.3830 -7.7854 -7.7854 -7.7024 -7.7024 -3.2726 -3.2726 -3.0874 -3.0874 0.8061 0.8061 1.0021 1.0021 3.3462 3.3462 3.5880 3.5880 4.4233 4.4233 4.7037 4.7037 5.1180 5.1180 5.1566 5.1566 5.1811 5.1811 5.1965 5.1965 5.3826 5.3826 5.4104 5.4104 10.0998 10.0998 10.3050 10.3050 12.1279 12.1279 12.2461 12.2461 13.0475 13.0475 13.1787 13.1787 k = 0.4273 0.4273 0.2836 ( 4854 PWs) bands (ev): -13.0083 -13.0083 -13.0060 -13.0060 -11.5178 -11.5178 -11.4776 -11.4776 -10.9607 -10.9607 -10.9401 -10.9401 -10.0885 -10.0885 -9.9669 -9.9669 -8.4531 -8.4531 -8.4200 -8.4200 -8.3975 -8.3975 -8.3825 -8.3825 -7.8038 -7.8038 -7.6991 -7.6991 -3.2642 -3.2642 -3.0255 -3.0255 0.7707 0.7707 1.0204 1.0204 3.3289 3.3289 3.6354 3.6354 4.3409 4.3409 4.6939 4.6939 5.1116 5.1116 5.1658 5.1658 5.1861 5.1861 5.2060 5.2060 5.3997 5.3997 5.4275 5.4275 10.0681 10.0681 10.3261 10.3261 12.1045 12.1045 12.2443 12.2443 13.0264 13.0264 13.1695 13.1695 k = 0.4182 0.4182 0.2836 ( 4846 PWs) bands (ev): -13.0087 -13.0087 -13.0058 -13.0058 -11.5198 -11.5198 -11.4729 -11.4729 -10.9625 -10.9625 -10.9397 -10.9397 -10.1042 -10.1042 -9.9609 -9.9609 -8.4563 -8.4563 -8.4194 -8.4194 -8.3991 -8.3991 -8.3821 -8.3821 -7.8238 -7.8238 -7.6954 -7.6954 -3.2549 -3.2549 -2.9564 -2.9564 0.7328 0.7328 1.0411 1.0411 3.3105 3.3105 3.6855 3.6855 4.2520 4.2520 4.6829 4.6829 5.1062 5.1062 5.1757 5.1757 5.1889 5.1889 5.2179 5.2179 5.4180 5.4180 5.4457 5.4457 10.0333 10.0333 10.3484 10.3484 12.0777 12.0777 12.2413 12.2413 13.0039 13.0039 13.1555 13.1555 k = 0.4091 0.4091 0.2836 ( 4846 PWs) bands (ev): -13.0092 -13.0092 -13.0057 -13.0057 -11.5219 -11.5219 -11.4679 -11.4679 -10.9643 -10.9643 -10.9394 -10.9394 -10.1212 -10.1212 -9.9546 -9.9546 -8.4595 -8.4595 -8.4191 -8.4191 -8.4009 -8.4009 -8.3817 -8.3817 -7.8450 -7.8450 -7.6914 -7.6914 -3.2446 -3.2446 -2.8807 -2.8807 0.6931 0.6931 1.0641 1.0641 3.2911 3.2911 3.7372 3.7372 4.1574 4.1574 4.6708 4.6708 5.1029 5.1029 5.1853 5.1853 5.1915 5.1915 5.2302 5.2302 5.4366 5.4366 5.4656 5.4656 9.9959 9.9959 10.3715 10.3715 12.0469 12.0469 12.2372 12.2372 12.9798 12.9798 13.1358 13.1358 k = 0.4000 0.4000 0.2836 ( 4842 PWs) bands (ev): -13.0097 -13.0097 -13.0055 -13.0055 -11.5242 -11.5242 -11.4624 -11.4624 -10.9662 -10.9662 -10.9392 -10.9392 -10.1396 -10.1396 -9.9477 -9.9477 -8.4629 -8.4629 -8.4190 -8.4190 -8.4028 -8.4028 -8.3813 -8.3813 -7.8671 -7.8671 -7.6869 -7.6869 -3.2335 -3.2335 -2.7986 -2.7986 0.6520 0.6520 1.0893 1.0893 3.2712 3.2712 3.7888 3.7888 4.0586 4.0586 4.6576 4.6576 5.1023 5.1023 5.1910 5.1910 5.1978 5.1978 5.2424 5.2424 5.4543 5.4543 5.4877 5.4877 9.9563 9.9563 10.3951 10.3951 12.0118 12.0118 12.2320 12.2320 12.9541 12.9541 13.1099 13.1099 k = 0.3909 0.3909 0.2836 ( 4846 PWs) bands (ev): -13.0102 -13.0102 -13.0053 -13.0053 -11.5266 -11.5266 -11.4567 -11.4567 -10.9680 -10.9680 -10.9392 -10.9392 -10.1593 -10.1593 -9.9405 -9.9405 -8.4663 -8.4663 -8.4191 -8.4191 -8.4047 -8.4047 -8.3810 -8.3810 -7.8901 -7.8901 -7.6821 -7.6821 -3.2214 -3.2214 -2.7105 -2.7105 0.6101 0.6101 1.1169 1.1169 3.2510 3.2510 3.8347 3.8347 3.9608 3.9608 4.6434 4.6434 5.1050 5.1050 5.1932 5.1932 5.2076 5.2076 5.2543 5.2543 5.4705 5.4705 5.5121 5.5121 9.9148 9.9148 10.4186 10.4186 11.9718 11.9718 12.2260 12.2260 12.9266 12.9266 13.0775 13.0775 k = 0.3818 0.3818 0.2836 ( 4850 PWs) bands (ev): -13.0108 -13.0108 -13.0052 -13.0052 -11.5292 -11.5292 -11.4506 -11.4506 -10.9698 -10.9698 -10.9393 -10.9393 -10.1802 -10.1802 -9.9327 -9.9327 -8.4698 -8.4698 -8.4194 -8.4194 -8.4067 -8.4067 -8.3807 -8.3807 -7.9135 -7.9135 -7.6769 -7.6769 -3.2086 -3.2086 -2.6168 -2.6168 0.5678 0.5678 1.1466 1.1466 3.2306 3.2306 3.8183 3.8183 3.9201 3.9201 4.6284 4.6284 5.1115 5.1115 5.1949 5.1949 5.2178 5.2178 5.2659 5.2659 5.4853 5.4853 5.5384 5.5384 9.8719 9.8719 10.4417 10.4417 11.9265 11.9265 12.2193 12.2193 12.8972 12.8972 13.0388 13.0388 k = 0.3727 0.3727 0.2836 ( 4858 PWs) bands (ev): -13.0115 -13.0115 -13.0050 -13.0050 -11.5319 -11.5319 -11.4443 -11.4443 -10.9716 -10.9716 -10.9395 -10.9395 -10.2023 -10.2023 -9.9244 -9.9244 -8.4734 -8.4734 -8.4198 -8.4198 -8.4087 -8.4087 -8.3804 -8.3804 -7.9373 -7.9373 -7.6714 -7.6714 -3.1950 -3.1950 -2.5178 -2.5178 0.5254 0.5254 1.1785 1.1785 3.2103 3.2103 3.7170 3.7170 3.9590 3.9590 4.6124 4.6124 5.1222 5.1222 5.1965 5.1965 5.2281 5.2281 5.2772 5.2772 5.4987 5.4987 5.5656 5.5656 9.8280 9.8280 10.4640 10.4640 11.8754 11.8754 12.2123 12.2123 12.8658 12.8658 12.9942 12.9942 k = 0.3636 0.3636 0.2836 ( 4860 PWs) bands (ev): -13.0122 -13.0122 -13.0049 -13.0049 -11.5348 -11.5348 -11.4376 -11.4376 -10.9734 -10.9734 -10.9398 -10.9398 -10.2254 -10.2254 -9.9156 -9.9156 -8.4770 -8.4770 -8.4204 -8.4204 -8.4108 -8.4108 -8.3802 -8.3802 -7.9611 -7.9611 -7.6655 -7.6655 -3.1808 -3.1808 -2.4141 -2.4141 0.4834 0.4834 1.2126 1.2126 3.1901 3.1901 3.6036 3.6036 4.0046 4.0046 4.5957 4.5957 5.1375 5.1375 5.1982 5.1982 5.2385 5.2385 5.2883 5.2883 5.5110 5.5110 5.5932 5.5932 9.7836 9.7836 10.4850 10.4850 11.8180 11.8180 12.2053 12.2053 12.8320 12.8320 12.9449 12.9449 k = 0.3545 0.3545 0.2836 ( 4864 PWs) bands (ev): -13.0130 -13.0130 -13.0048 -13.0048 -11.5379 -11.5379 -11.4307 -11.4307 -10.9751 -10.9751 -10.9403 -10.9403 -10.2495 -10.2495 -9.9063 -9.9063 -8.4806 -8.4806 -8.4212 -8.4212 -8.4129 -8.4129 -8.3800 -8.3800 -7.9848 -7.9848 -7.6593 -7.6593 -3.1659 -3.1659 -2.3058 -2.3058 0.4420 0.4420 1.2487 1.2487 3.1696 3.1696 3.4869 3.4869 4.0482 4.0482 4.5784 4.5784 5.1576 5.1576 5.1999 5.1999 5.2488 5.2488 5.2992 5.2992 5.5223 5.5223 5.6205 5.6205 9.7391 9.7391 10.5045 10.5045 11.7542 11.7542 12.1989 12.1989 12.7956 12.7956 12.8926 12.8926 k = 0.3455 0.3455 0.2836 ( 4852 PWs) bands (ev): -13.0138 -13.0138 -13.0047 -13.0047 -11.5411 -11.5411 -11.4236 -11.4236 -10.9768 -10.9768 -10.9409 -10.9409 -10.2745 -10.2745 -9.8965 -9.8965 -8.4843 -8.4843 -8.4220 -8.4220 -8.4150 -8.4150 -8.3799 -8.3799 -8.0083 -8.0083 -7.6527 -7.6527 -3.1505 -3.1505 -2.1933 -2.1933 0.4016 0.4016 1.2868 1.2868 3.1475 3.1475 3.3702 3.3702 4.0884 4.0884 4.5604 4.5604 5.1822 5.1822 5.2020 5.2020 5.2592 5.2592 5.3100 5.3100 5.5325 5.5325 5.6469 5.6469 9.6947 9.6947 10.5219 10.5219 11.6838 11.6838 12.1936 12.1936 12.7560 12.7560 12.8389 12.8389 k = 0.3364 0.3364 0.2836 ( 4856 PWs) bands (ev): -13.0147 -13.0147 -13.0046 -13.0046 -11.5445 -11.5445 -11.4163 -11.4163 -10.9785 -10.9785 -10.9417 -10.9417 -10.3003 -10.3003 -9.8861 -9.8861 -8.4881 -8.4881 -8.4230 -8.4230 -8.4170 -8.4170 -8.3799 -8.3799 -8.0313 -8.0313 -7.6458 -7.6458 -3.1347 -3.1347 -2.0771 -2.0771 0.3623 0.3623 1.3269 1.3269 3.1182 3.1182 3.2599 3.2599 4.1245 4.1245 4.5419 4.5419 5.2007 5.2007 5.2149 5.2149 5.2695 5.2695 5.3207 5.3207 5.5417 5.5417 5.6721 5.6721 9.6510 9.6510 10.5370 10.5370 11.6072 11.6072 12.1900 12.1900 12.7123 12.7123 12.7862 12.7862 k = 0.3273 0.3273 0.2836 ( 4856 PWs) bands (ev): -13.0156 -13.0156 -13.0046 -13.0046 -11.5481 -11.5481 -11.4089 -11.4089 -10.9801 -10.9801 -10.9425 -10.9425 -10.3267 -10.3267 -9.8753 -9.8753 -8.4919 -8.4919 -8.4242 -8.4242 -8.4191 -8.4191 -8.3799 -8.3799 -8.0539 -8.0539 -7.6386 -7.6386 -3.1185 -3.1185 -1.9575 -1.9575 0.3245 0.3245 1.3689 1.3689 3.0595 3.0595 3.1790 3.1790 4.1562 4.1562 4.5230 4.5230 5.2032 5.2032 5.2481 5.2481 5.2798 5.2798 5.3313 5.3313 5.5499 5.5499 5.6955 5.6955 9.6081 9.6081 10.5492 10.5492 11.5250 11.5250 12.1890 12.1890 12.6636 12.6636 12.7363 12.7363 k = 0.3182 0.3182 0.2836 ( 4856 PWs) bands (ev): -13.0166 -13.0166 -13.0046 -13.0046 -11.5518 -11.5518 -11.4013 -11.4013 -10.9817 -10.9817 -10.9435 -10.9435 -10.3537 -10.3537 -9.8639 -9.8639 -8.4958 -8.4958 -8.4255 -8.4255 -8.4210 -8.4210 -8.3799 -8.3799 -8.0759 -8.0759 -7.6311 -7.6311 -3.1019 -3.1019 -1.8347 -1.8347 0.2882 0.2882 1.4126 1.4126 2.9576 2.9576 3.1420 3.1420 4.1835 4.1835 4.5039 4.5039 5.2047 5.2047 5.2861 5.2861 5.2901 5.2901 5.3420 5.3420 5.5572 5.5572 5.7168 5.7168 9.5663 9.5663 10.5581 10.5581 11.4385 11.4385 12.1910 12.1910 12.6100 12.6100 12.6899 12.6899 k = 0.3091 0.3091 0.2836 ( 4856 PWs) bands (ev): -13.0176 -13.0176 -13.0047 -13.0047 -11.5558 -11.5558 -11.3936 -11.3936 -10.9832 -10.9832 -10.9445 -10.9445 -10.3811 -10.3811 -9.8521 -9.8521 -8.4997 -8.4997 -8.4270 -8.4270 -8.4228 -8.4228 -8.3801 -8.3801 -8.0972 -8.0972 -7.6234 -7.6234 -3.0852 -3.0852 -1.7092 -1.7092 0.2538 0.2538 1.4582 1.4582 2.8387 2.8387 3.1231 3.1231 4.2066 4.2066 4.4847 4.4847 5.2059 5.2059 5.3001 5.3001 5.3270 5.3270 5.3530 5.3530 5.5634 5.5634 5.7357 5.7357 9.5258 9.5258 10.5630 10.5630 11.3490 11.3490 12.1968 12.1968 12.5524 12.5524 12.6467 12.6467 k = 0.3000 0.3000 0.2836 ( 4860 PWs) bands (ev): -13.0186 -13.0186 -13.0048 -13.0048 -11.5599 -11.5599 -11.3859 -11.3859 -10.9847 -10.9847 -10.9457 -10.9457 -10.4087 -10.4087 -9.8399 -9.8399 -8.5037 -8.5037 -8.4286 -8.4286 -8.4245 -8.4245 -8.3803 -8.3803 -8.1178 -8.1178 -7.6154 -7.6154 -3.0683 -3.0683 -1.5813 -1.5813 0.2212 0.2212 1.5053 1.5053 2.7151 2.7151 3.1106 3.1106 4.2257 4.2257 4.4657 4.4657 5.2068 5.2068 5.3101 5.3101 5.3597 5.3597 5.3743 5.3743 5.5688 5.5688 5.7520 5.7520 9.4866 9.4866 10.5631 10.5631 11.2589 11.2589 12.2066 12.2066 12.4918 12.4918 12.6057 12.6057 k = 0.2909 0.2909 0.2836 ( 4864 PWs) bands (ev): -13.0198 -13.0198 -13.0050 -13.0050 -11.5642 -11.5642 -11.3781 -11.3781 -10.9861 -10.9861 -10.9470 -10.9470 -10.4366 -10.4366 -9.8271 -9.8271 -8.5077 -8.5077 -8.4303 -8.4303 -8.4260 -8.4260 -8.3806 -8.3806 -8.1375 -8.1375 -7.6071 -7.6071 -3.0513 -3.0513 -1.4513 -1.4513 0.1907 0.1907 1.5541 1.5541 2.5902 2.5902 3.1017 3.1017 4.2410 4.2410 4.4472 4.4472 5.2076 5.2076 5.3200 5.3200 5.3714 5.3714 5.4178 5.4178 5.5732 5.5732 5.7653 5.7653 9.4487 9.4487 10.5570 10.5570 11.1707 11.1707 12.2207 12.2207 12.4293 12.4293 12.5666 12.5666 k = 0.2818 0.2818 0.2836 ( 4860 PWs) bands (ev): -13.0209 -13.0209 -13.0053 -13.0053 -11.5686 -11.5686 -11.3703 -11.3703 -10.9874 -10.9874 -10.9484 -10.9484 -10.4645 -10.4645 -9.8140 -9.8140 -8.5118 -8.5118 -8.4321 -8.4321 -8.4274 -8.4274 -8.3810 -8.3810 -8.1565 -8.1565 -7.5986 -7.5986 -3.0344 -3.0344 -1.3195 -1.3195 0.1623 0.1623 1.6043 1.6043 2.4651 2.4651 3.0958 3.0958 4.2526 4.2526 4.4296 4.4296 5.2082 5.2082 5.3297 5.3297 5.3815 5.3815 5.4630 5.4630 5.5770 5.5770 5.7756 5.7756 9.4118 9.4118 10.5432 10.5432 11.0877 11.0877 12.2388 12.2388 12.3655 12.3655 12.5293 12.5293 k = 0.2727 0.2727 0.2836 ( 4860 PWs) bands (ev): -13.0221 -13.0221 -13.0056 -13.0056 -11.5732 -11.5732 -11.3625 -11.3625 -10.9887 -10.9887 -10.9499 -10.9499 -10.4923 -10.4923 -9.8005 -9.8005 -8.5159 -8.5159 -8.4340 -8.4340 -8.4288 -8.4288 -8.3815 -8.3815 -8.1746 -8.1746 -7.5899 -7.5899 -3.0176 -3.0176 -1.1864 -1.1864 0.1361 0.1361 1.6558 1.6558 2.3406 2.3406 3.0925 3.0925 4.2605 4.2605 4.4135 4.4135 5.2086 5.2086 5.3392 5.3392 5.3910 5.3910 5.5073 5.5073 5.5808 5.5808 5.7829 5.7829 9.3757 9.3757 10.5197 10.5197 11.0135 11.0135 12.2557 12.2557 12.3060 12.3060 12.4939 12.4939 k = 0.2636 0.2636 0.2836 ( 4852 PWs) bands (ev): -13.0234 -13.0234 -13.0059 -13.0059 -11.5780 -11.5780 -11.3548 -11.3548 -10.9899 -10.9899 -10.9514 -10.9514 -10.5199 -10.5199 -9.7866 -9.7866 -8.5201 -8.5201 -8.4358 -8.4358 -8.4300 -8.4300 -8.3820 -8.3820 -8.1919 -8.1919 -7.5810 -7.5810 -3.0010 -3.0010 -1.0522 -1.0522 0.1122 0.1122 1.7086 1.7086 2.2171 2.2171 3.0919 3.0919 4.2641 4.2641 4.3999 4.3999 5.2086 5.2086 5.3484 5.3484 5.4001 5.4001 5.5465 5.5465 5.5877 5.5877 5.7871 5.7871 9.3399 9.3399 10.4846 10.4846 10.9514 10.9514 12.2203 12.2203 12.3019 12.3019 12.4607 12.4607 k = 0.2545 0.2545 0.2836 ( 4842 PWs) bands (ev): -13.0246 -13.0246 -13.0064 -13.0064 -11.5829 -11.5829 -11.3471 -11.3471 -10.9911 -10.9911 -10.9531 -10.9531 -10.5472 -10.5472 -9.7724 -9.7724 -8.5243 -8.5243 -8.4375 -8.4375 -8.4312 -8.4312 -8.3826 -8.3826 -8.2083 -8.2083 -7.5718 -7.5718 -2.9846 -2.9846 -0.9174 -0.9174 0.0907 0.0907 1.7622 1.7622 2.0952 2.0952 3.0940 3.0940 4.2630 4.2630 4.3896 4.3896 5.2084 5.2084 5.3573 5.3573 5.4086 5.4086 5.5671 5.5671 5.6106 5.6106 5.7883 5.7883 9.3035 9.3035 10.4381 10.4381 10.9031 10.9031 12.1533 12.1533 12.3319 12.3319 12.4308 12.4308 k = 0.2455 0.2455 0.2836 ( 4850 PWs) bands (ev): -13.0260 -13.0260 -13.0069 -13.0069 -11.5880 -11.5880 -11.3396 -11.3396 -10.9922 -10.9922 -10.9548 -10.9548 -10.5742 -10.5742 -9.7579 -9.7579 -8.5285 -8.5285 -8.4392 -8.4392 -8.4324 -8.4324 -8.3833 -8.3833 -8.2239 -8.2239 -7.5626 -7.5626 -2.9686 -2.9686 -0.7823 -0.7823 0.0716 0.0716 1.8154 1.8154 1.9764 1.9764 3.0987 3.0987 4.2570 4.2570 4.3833 4.3833 5.2078 5.2078 5.3658 5.3658 5.4164 5.4164 5.5712 5.5712 5.6469 5.6469 5.7868 5.7868 9.2657 9.2657 10.3827 10.3827 10.8677 10.8677 12.0826 12.0826 12.3620 12.3620 12.4104 12.4104 k = 0.2364 0.2364 0.2836 ( 4850 PWs) bands (ev): -13.0273 -13.0273 -13.0074 -13.0074 -11.5932 -11.5932 -11.3322 -11.3322 -10.9932 -10.9932 -10.9566 -10.9566 -10.6006 -10.6006 -9.7432 -9.7432 -8.5328 -8.5328 -8.4409 -8.4409 -8.4335 -8.4335 -8.3840 -8.3840 -8.2387 -8.2387 -7.5532 -7.5532 -2.9529 -2.9529 -0.6474 -0.6474 0.0549 0.0549 1.8371 1.8371 1.8920 1.8920 3.1062 3.1062 4.2465 4.2465 4.3808 4.3808 5.2069 5.2069 5.3738 5.3738 5.4233 5.4233 5.5708 5.5708 5.6839 5.6839 5.7830 5.7830 9.2256 9.2256 10.3225 10.3225 10.8425 10.8425 12.0105 12.0105 12.3605 12.3605 12.4299 12.4299 k = 0.2273 0.2273 0.2836 ( 4854 PWs) bands (ev): -13.0286 -13.0286 -13.0081 -13.0081 -11.5985 -11.5985 -11.3250 -11.3250 -10.9941 -10.9941 -10.9584 -10.9584 -10.6264 -10.6264 -9.7283 -9.7283 -8.5371 -8.5371 -8.4424 -8.4424 -8.4346 -8.4346 -8.3848 -8.3848 -8.2527 -8.2527 -7.5437 -7.5437 -2.9378 -2.9378 -0.5132 -0.5132 0.0407 0.0407 1.7335 1.7335 1.9360 1.9360 3.1165 3.1165 4.2325 4.2325 4.3813 4.3813 5.2056 5.2056 5.3812 5.3812 5.4292 5.4292 5.5687 5.5687 5.7181 5.7181 5.7779 5.7779 9.1819 9.1819 10.2621 10.2621 10.8243 10.8243 11.9375 11.9375 12.3406 12.3406 12.4757 12.4757 k = 0.2182 0.2182 0.2836 ( 4866 PWs) bands (ev): -13.0300 -13.0300 -13.0088 -13.0088 -11.6040 -11.6040 -11.3179 -11.3179 -10.9950 -10.9950 -10.9604 -10.9604 -10.6515 -10.6515 -9.7133 -9.7133 -8.5414 -8.5414 -8.4439 -8.4439 -8.4356 -8.4356 -8.3857 -8.3857 -8.2659 -8.2659 -7.5341 -7.5341 -2.9232 -2.9232 -0.3801 -0.3801 0.0291 0.0291 1.6206 1.6206 1.9925 1.9925 3.1297 3.1297 4.2160 4.2160 4.3841 4.3841 5.2038 5.2038 5.3878 5.3878 5.4339 5.4339 5.5654 5.5654 5.7457 5.7457 5.7750 5.7750 9.1336 9.1336 10.2053 10.2053 10.8103 10.8103 11.8643 11.8643 12.3212 12.3212 12.5292 12.5292 k = 0.2091 0.2091 0.2836 ( 4858 PWs) bands (ev): -13.0314 -13.0314 -13.0095 -13.0095 -11.6095 -11.6095 -11.3111 -11.3111 -10.9958 -10.9958 -10.9623 -10.9623 -10.6758 -10.6758 -9.6982 -9.6982 -8.5457 -8.5457 -8.4452 -8.4452 -8.4365 -8.4365 -8.3867 -8.3867 -8.2783 -8.2783 -7.5244 -7.5244 -2.9091 -2.9091 -0.2493 -0.2493 0.0206 0.0206 1.5096 1.5096 2.0504 2.0504 3.1458 3.1458 4.1980 4.1980 4.3883 4.3883 5.2016 5.2016 5.3933 5.3933 5.4374 5.4374 5.5612 5.5612 5.7520 5.7520 5.7892 5.7892 9.0801 9.0801 10.1547 10.1547 10.7982 10.7982 11.7914 11.7914 12.3050 12.3050 12.5880 12.5880 k = 0.2000 0.2000 0.2836 ( 4854 PWs) bands (ev): -13.0328 -13.0328 -13.0104 -13.0104 -11.6151 -11.6151 -11.3044 -11.3044 -10.9966 -10.9966 -10.9643 -10.9643 -10.6992 -10.6992 -9.6830 -9.6830 -8.5499 -8.5499 -8.4464 -8.4464 -8.4374 -8.4374 -8.3877 -8.3877 -8.2899 -8.2899 -7.5146 -7.5146 -2.8957 -2.8957 -0.1236 -0.1236 0.0177 0.0177 1.4012 1.4012 2.1091 2.1091 3.1648 3.1648 4.1791 4.1791 4.3934 4.3934 5.1989 5.1989 5.3970 5.3970 5.4400 5.4400 5.5564 5.5564 5.7453 5.7453 5.8129 5.8129 9.0209 9.0209 10.1120 10.1120 10.7863 10.7863 11.7191 11.7191 12.2929 12.2929 12.6514 12.6514 k = 0.1909 0.1909 0.2836 ( 4862 PWs) bands (ev): -13.0341 -13.0341 -13.0112 -13.0112 -11.6207 -11.6207 -11.2981 -11.2981 -10.9972 -10.9972 -10.9663 -10.9663 -10.7218 -10.7218 -9.6679 -9.6679 -8.5542 -8.5542 -8.4475 -8.4475 -8.4382 -8.4382 -8.3887 -8.3887 -8.3009 -8.3009 -7.5049 -7.5049 -2.8829 -2.8829 -0.0288 -0.0288 0.0454 0.0454 1.2959 1.2959 2.1681 2.1681 3.1867 3.1867 4.1596 4.1596 4.3990 4.3990 5.1957 5.1957 5.3980 5.3980 5.4419 5.4419 5.5510 5.5510 5.7367 5.7367 5.8354 5.8354 8.9562 8.9562 10.0778 10.0778 10.7732 10.7732 11.6482 11.6482 12.2856 12.2856 12.7189 12.7189 k = 0.1818 0.1818 0.2836 ( 4870 PWs) bands (ev): -13.0355 -13.0355 -13.0122 -13.0122 -11.6264 -11.6264 -11.2919 -11.2919 -10.9978 -10.9978 -10.9684 -10.9684 -10.7434 -10.7434 -9.6528 -9.6528 -8.5584 -8.5584 -8.4485 -8.4485 -8.4389 -8.4389 -8.3899 -8.3899 -8.3111 -8.3111 -7.4952 -7.4952 -2.8708 -2.8708 -0.0112 -0.0112 0.1497 0.1497 1.1939 1.1939 2.2273 2.2273 3.2115 3.2115 4.1399 4.1399 4.4049 4.4049 5.1920 5.1920 5.3954 5.3954 5.4441 5.4441 5.5454 5.5454 5.7286 5.7286 5.8552 5.8552 8.8864 8.8864 10.0520 10.0520 10.7577 10.7577 11.5791 11.5791 12.2835 12.2835 12.7904 12.7904 k = 0.1727 0.1727 0.2836 ( 4854 PWs) bands (ev): -13.0369 -13.0369 -13.0131 -13.0131 -11.6320 -11.6320 -11.2861 -11.2861 -10.9984 -10.9984 -10.9704 -10.9704 -10.7640 -10.7640 -9.6379 -9.6379 -8.5626 -8.5626 -8.4494 -8.4494 -8.4396 -8.4396 -8.3910 -8.3910 -8.3207 -8.3207 -7.4855 -7.4855 -2.8594 -2.8594 -0.0096 -0.0096 0.2686 0.2686 1.0955 1.0955 2.2866 2.2866 3.2391 3.2391 4.1202 4.1202 4.4109 4.4109 5.1877 5.1877 5.3886 5.3886 5.4468 5.4468 5.5398 5.5398 5.7215 5.7215 5.8724 5.8724 8.8124 8.8124 10.0339 10.0339 10.7389 10.7389 11.5122 11.5122 12.2870 12.2870 12.8656 12.8656 k = 0.1636 0.1636 0.2836 ( 4848 PWs) bands (ev): -13.0382 -13.0382 -13.0141 -13.0141 -11.6377 -11.6377 -11.2805 -11.2805 -10.9988 -10.9988 -10.9725 -10.9725 -10.7835 -10.7835 -9.6233 -9.6233 -8.5666 -8.5666 -8.4502 -8.4502 -8.4401 -8.4401 -8.3923 -8.3923 -8.3296 -8.3296 -7.4760 -7.4760 -2.8488 -2.8488 -0.0087 -0.0087 0.3862 0.3862 1.0010 1.0010 2.3456 2.3456 3.2694 3.2694 4.1007 4.1007 4.4167 4.4167 5.1828 5.1828 5.3777 5.3777 5.4500 5.4500 5.5343 5.5343 5.7158 5.7158 5.8869 5.8869 8.7354 8.7354 10.0224 10.0224 10.7161 10.7161 11.4482 11.4482 12.2963 12.2963 12.9440 12.9440 k = 0.1545 0.1545 0.2836 ( 4848 PWs) bands (ev): -13.0395 -13.0395 -13.0152 -13.0152 -11.6432 -11.6432 -11.2752 -11.2752 -10.9992 -10.9992 -10.9745 -10.9745 -10.8020 -10.8020 -9.6089 -9.6089 -8.5707 -8.5707 -8.4508 -8.4508 -8.4406 -8.4406 -8.3936 -8.3936 -8.3379 -8.3379 -7.4666 -7.4666 -2.8388 -2.8388 -0.0070 -0.0070 0.5003 0.5003 0.9105 0.9105 2.4043 2.4043 3.3021 3.3021 4.0814 4.0814 4.4223 4.4223 5.1773 5.1773 5.3633 5.3633 5.4535 5.4535 5.5292 5.5292 5.7118 5.7118 5.8990 5.8990 8.6565 8.6565 10.0163 10.0163 10.6889 10.6889 11.3875 11.3875 12.3114 12.3114 13.0256 13.0256 k = 0.1455 0.1455 0.2836 ( 4858 PWs) bands (ev): -13.0408 -13.0408 -13.0162 -13.0162 -11.6488 -11.6488 -11.2703 -11.2703 -10.9995 -10.9995 -10.9766 -10.9766 -10.8194 -10.8194 -9.5948 -9.5948 -8.5746 -8.5746 -8.4514 -8.4514 -8.4411 -8.4411 -8.3950 -8.3950 -8.3456 -8.3456 -7.4574 -7.4574 -2.8296 -2.8296 -0.0044 -0.0044 0.6101 0.6101 0.8243 0.8243 2.4624 2.4624 3.3370 3.3370 4.0625 4.0625 4.4273 4.4273 5.1711 5.1711 5.3462 5.3462 5.4569 5.4569 5.5248 5.5248 5.7093 5.7093 5.9090 5.9090 8.5768 8.5768 10.0143 10.0143 10.6570 10.6570 11.3304 11.3304 12.3322 12.3322 13.1098 13.1098 k = 0.1364 0.1364 0.2836 ( 4858 PWs) bands (ev): -13.0421 -13.0421 -13.0173 -13.0173 -11.6541 -11.6541 -11.2656 -11.2656 -10.9997 -10.9997 -10.9786 -10.9786 -10.8356 -10.8356 -9.5812 -9.5812 -8.5783 -8.5783 -8.4518 -8.4518 -8.4414 -8.4414 -8.3964 -8.3964 -8.3527 -8.3527 -7.4484 -7.4484 -2.8211 -2.8211 -0.0008 -0.0008 0.7135 0.7135 0.7443 0.7443 2.5197 2.5197 3.3736 3.3736 4.0443 4.0443 4.4318 4.4318 5.1642 5.1642 5.3273 5.3273 5.4599 5.4599 5.5212 5.5212 5.7082 5.7082 5.9170 5.9170 8.4972 8.4972 10.0153 10.0153 10.6207 10.6207 11.2773 11.2773 12.3581 12.3581 13.1964 13.1964 k = 0.1273 0.1273 0.2836 ( 4850 PWs) bands (ev): -13.0433 -13.0433 -13.0184 -13.0184 -11.6593 -11.6593 -11.2613 -11.2613 -10.9999 -10.9999 -10.9805 -10.9805 -10.8508 -10.8508 -9.5681 -9.5681 -8.5819 -8.5819 -8.4521 -8.4521 -8.4417 -8.4417 -8.3980 -8.3980 -8.3592 -8.3592 -7.4397 -7.4397 -2.8133 -2.8133 0.0034 0.0034 0.6648 0.6648 0.8156 0.8156 2.5760 2.5760 3.4115 3.4115 4.0268 4.0268 4.4356 4.4356 5.1567 5.1567 5.3075 5.3075 5.4624 5.4624 5.5186 5.5186 5.7082 5.7082 5.9234 5.9234 8.4188 8.4188 10.0181 10.0181 10.5802 10.5802 11.2286 11.2286 12.3888 12.3888 13.2850 13.2850 k = 0.1182 0.1182 0.2836 ( 4856 PWs) bands (ev): -13.0444 -13.0444 -13.0194 -13.0194 -11.6644 -11.6644 -11.2573 -11.2573 -10.9999 -10.9999 -10.9824 -10.9824 -10.8648 -10.8648 -9.5555 -9.5555 -8.5854 -8.5854 -8.4524 -8.4524 -8.4419 -8.4419 -8.3996 -8.3996 -8.3651 -8.3651 -7.4313 -7.4313 -2.8062 -2.8062 0.0081 0.0081 0.5929 0.5929 0.9093 0.9093 2.6310 2.6310 3.4501 3.4501 4.0102 4.0102 4.4385 4.4385 5.1484 5.1484 5.2876 5.2876 5.4644 5.4644 5.5172 5.5172 5.7090 5.7090 5.9283 5.9283 8.3422 8.3422 10.0218 10.0218 10.5363 10.5363 11.1843 11.1843 12.4233 12.4233 13.3749 13.3749 k = 0.1091 0.1091 0.2836 ( 4860 PWs) bands (ev): -13.0455 -13.0455 -13.0205 -13.0205 -11.6692 -11.6692 -11.2537 -11.2537 -11.0000 -11.0000 -10.9842 -10.9842 -10.8778 -10.8778 -9.5435 -9.5435 -8.5887 -8.5887 -8.4525 -8.4525 -8.4420 -8.4420 -8.4013 -8.4013 -8.3705 -8.3705 -7.4232 -7.4232 -2.7997 -2.7997 0.0130 0.0130 0.5261 0.5261 0.9972 0.9972 2.6846 2.6846 3.4884 3.4884 3.9949 3.9949 4.4406 4.4406 5.1395 5.1395 5.2682 5.2682 5.4659 5.4659 5.5169 5.5169 5.7105 5.7105 5.9320 5.9320 8.2683 8.2683 10.0255 10.0255 10.4896 10.4896 11.1447 11.1447 12.4610 12.4610 13.4657 13.4657 k = 0.1000 0.1000 0.2836 ( 4856 PWs) bands (ev): -13.0465 -13.0465 -13.0215 -13.0215 -11.6738 -11.6738 -11.2503 -11.2503 -10.9999 -10.9999 -10.9860 -10.9860 -10.8896 -10.8896 -9.5323 -9.5323 -8.5918 -8.5918 -8.4525 -8.4525 -8.4420 -8.4420 -8.4031 -8.4031 -8.3752 -8.3752 -7.4156 -7.4156 -2.7940 -2.7940 0.0177 0.0177 0.4648 0.4648 1.0786 1.0786 2.7364 2.7364 3.5257 3.5257 3.9812 3.9812 4.4419 4.4419 5.1300 5.1300 5.2500 5.2500 5.4673 5.4673 5.5175 5.5175 5.7123 5.7123 5.9348 5.9348 8.1977 8.1977 10.0288 10.0288 10.4411 10.4411 11.1099 11.1099 12.5007 12.5007 13.5567 13.5567 k = 0.0909 0.0909 0.2836 ( 4856 PWs) bands (ev): -13.0475 -13.0475 -13.0224 -13.0224 -11.6781 -11.6781 -11.2473 -11.2473 -10.9997 -10.9997 -10.9876 -10.9876 -10.9004 -10.9004 -9.5217 -9.5217 -8.5947 -8.5947 -8.4525 -8.4525 -8.4419 -8.4419 -8.4051 -8.4051 -8.3794 -8.3794 -7.4084 -7.4084 -2.7888 -2.7888 0.0218 0.0218 0.4093 0.4093 1.1535 1.1535 2.7861 2.7861 3.5609 3.5609 3.9696 3.9696 4.4422 4.4422 5.1201 5.1201 5.2335 5.2335 5.4686 5.4686 5.5189 5.5189 5.7144 5.7144 5.9368 5.9368 8.1310 8.1310 10.0310 10.0310 10.3916 10.3916 11.0800 11.0800 12.5416 12.5416 13.6470 13.6470 k = 0.0818 0.0818 0.2836 ( 4862 PWs) bands (ev): -13.0484 -13.0484 -13.0234 -13.0234 -11.6821 -11.6821 -11.2447 -11.2447 -10.9995 -10.9995 -10.9891 -10.9891 -10.9102 -10.9102 -9.5120 -9.5120 -8.5974 -8.5974 -8.4523 -8.4523 -8.4418 -8.4418 -8.4072 -8.4072 -8.3830 -8.3830 -7.4018 -7.4018 -2.7842 -2.7842 0.0250 0.0250 0.3600 0.3600 1.2215 1.2215 2.8334 2.8334 3.5927 3.5927 3.9605 3.9605 4.4418 4.4418 5.1101 5.1101 5.2187 5.2187 5.4701 5.4701 5.5209 5.5209 5.7165 5.7165 5.9381 5.9381 8.0688 8.0688 10.0320 10.0320 10.3422 10.3422 11.0548 11.0548 12.5826 12.5826 13.7350 13.7350 k = 0.0727 0.0727 0.2836 ( 4858 PWs) bands (ev): -13.0492 -13.0492 -13.0242 -13.0242 -11.6857 -11.6857 -11.2423 -11.2423 -10.9992 -10.9992 -10.9904 -10.9904 -10.9190 -10.9190 -9.5032 -9.5032 -8.5998 -8.5998 -8.4521 -8.4521 -8.4416 -8.4416 -8.4094 -8.4094 -8.3860 -8.3860 -7.3957 -7.3957 -2.7802 -2.7802 0.0267 0.0267 0.3173 0.3173 1.2826 1.2826 2.8779 2.8779 3.6200 3.6200 3.9546 3.9546 4.4408 4.4408 5.1004 5.1004 5.2060 5.2060 5.4717 5.4717 5.5231 5.5231 5.7186 5.7186 5.9389 5.9389 8.0115 8.0115 10.0318 10.0318 10.2938 10.2938 11.0341 11.0341 12.6227 12.6227 13.7730 13.7730 k = 0.0636 0.0636 0.2836 ( 4874 PWs) bands (ev): -13.0499 -13.0499 -13.0250 -13.0250 -11.6890 -11.6890 -11.2403 -11.2403 -10.9990 -10.9990 -10.9915 -10.9915 -10.9268 -10.9268 -9.4952 -9.4952 -8.6020 -8.6020 -8.4519 -8.4519 -8.4413 -8.4413 -8.4116 -8.4116 -8.3885 -8.3885 -7.3902 -7.3902 -2.7767 -2.7767 0.0267 0.0267 0.2814 0.2814 1.3366 1.3366 2.9191 2.9191 3.6419 3.6419 3.9521 3.9521 4.4392 4.4392 5.0912 5.0912 5.1951 5.1951 5.4736 5.4736 5.5255 5.5255 5.7205 5.7205 5.9394 5.9394 7.9596 7.9596 10.0307 10.0307 10.2474 10.2474 11.0176 11.0176 12.6610 12.6610 13.7110 13.7110 k = 0.0545 0.0545 0.2836 ( 4862 PWs) bands (ev): -13.0505 -13.0505 -13.0257 -13.0257 -11.6919 -11.6919 -11.2386 -11.2386 -10.9987 -10.9987 -10.9924 -10.9924 -10.9336 -10.9336 -9.4882 -9.4882 -8.6039 -8.6039 -8.4516 -8.4516 -8.4410 -8.4410 -8.4138 -8.4138 -8.3906 -8.3906 -7.3854 -7.3854 -2.7737 -2.7737 0.0246 0.0246 0.2525 0.2525 1.3835 1.3835 2.9566 2.9566 3.6580 3.6580 3.9531 3.9531 4.4373 4.4373 5.0831 5.0831 5.1860 5.1860 5.4756 5.4756 5.5280 5.5280 5.7222 5.7222 5.9396 5.9396 7.9136 7.9136 10.0289 10.0289 10.2041 10.2041 11.0048 11.0048 12.6964 12.6964 13.6552 13.6552 k = 0.0455 0.0455 0.2836 ( 4862 PWs) bands (ev): -13.0511 -13.0511 -13.0263 -13.0263 -11.6944 -11.6944 -11.2371 -11.2371 -10.9985 -10.9985 -10.9930 -10.9930 -10.9394 -10.9394 -9.4822 -9.4822 -8.6055 -8.6055 -8.4514 -8.4514 -8.4406 -8.4406 -8.4159 -8.4159 -8.3922 -8.3922 -7.3812 -7.3812 -2.7713 -2.7713 0.0207 0.0207 0.2305 0.2305 1.4232 1.4232 2.9898 2.9898 3.6686 3.6686 3.9570 3.9570 4.4353 4.4353 5.0761 5.0761 5.1786 5.1786 5.4776 5.4776 5.5304 5.5304 5.7237 5.7237 5.9396 5.9396 7.8740 7.8740 10.0271 10.0271 10.1647 10.1647 10.9953 10.9953 12.7280 12.7280 13.6080 13.6080 k = 0.0364 0.0364 0.2836 ( 4874 PWs) bands (ev): -13.0515 -13.0515 -13.0268 -13.0268 -11.6965 -11.6965 -11.2359 -11.2359 -10.9985 -10.9985 -10.9933 -10.9933 -10.9442 -10.9442 -9.4773 -9.4773 -8.6069 -8.6069 -8.4511 -8.4511 -8.4402 -8.4402 -8.4178 -8.4178 -8.3935 -8.3935 -7.3778 -7.3778 -2.7693 -2.7693 0.0154 0.0154 0.2145 0.2145 1.4557 1.4557 3.0181 3.0181 3.6745 3.6745 3.9626 3.9626 4.4333 4.4333 5.0704 5.0704 5.1727 5.1727 5.4795 5.4795 5.5325 5.5325 5.7249 5.7249 5.9395 5.9395 7.8410 7.8410 10.0257 10.0257 10.1301 10.1301 10.9884 10.9884 12.7550 12.7550 13.5694 13.5694 k = 0.0273 0.0273 0.2836 ( 4874 PWs) bands (ev): -13.0519 -13.0519 -13.0272 -13.0272 -11.6981 -11.6981 -11.2351 -11.2351 -10.9985 -10.9985 -10.9933 -10.9933 -10.9481 -10.9481 -9.4734 -9.4734 -8.6080 -8.6080 -8.4509 -8.4509 -8.4397 -8.4397 -8.4194 -8.4194 -8.3945 -8.3945 -7.3751 -7.3751 -2.7678 -2.7678 0.0098 0.0098 0.2037 0.2037 1.4810 1.4810 3.0410 3.0410 3.6772 3.6772 3.9686 3.9686 4.4316 4.4316 5.0661 5.0661 5.1682 5.1682 5.4811 5.4811 5.5343 5.5343 5.7259 5.7259 5.9394 5.9394 7.8149 7.8149 10.0255 10.0255 10.1008 10.1008 10.9837 10.9837 12.7768 12.7768 13.5396 13.5396 k = 0.0182 0.0182 0.2836 ( 4886 PWs) bands (ev): -13.0521 -13.0521 -13.0274 -13.0274 -11.6993 -11.6993 -11.2344 -11.2344 -10.9986 -10.9986 -10.9932 -10.9932 -10.9509 -10.9509 -9.4706 -9.4706 -8.6087 -8.6087 -8.4508 -8.4508 -8.4394 -8.4394 -8.4207 -8.4207 -8.3952 -8.3952 -7.3731 -7.3731 -2.7667 -2.7667 0.0048 0.0048 0.1970 0.1970 1.4990 1.4990 3.0579 3.0579 3.6779 3.6779 3.9739 3.9739 4.4302 4.4302 5.0631 5.0631 5.1650 5.1650 5.4824 5.4824 5.5357 5.5357 5.7265 5.7265 5.9392 5.9392 7.7961 7.7961 10.0270 10.0270 10.0774 10.0774 10.9806 10.9806 12.7928 12.7928 13.5183 13.5183 k = 0.0091 0.0091 0.2836 ( 4884 PWs) bands (ev): -13.0523 -13.0523 -13.0276 -13.0276 -11.7000 -11.7000 -11.2341 -11.2341 -10.9987 -10.9987 -10.9930 -10.9930 -10.9526 -10.9526 -9.4690 -9.4690 -8.6092 -8.6092 -8.4506 -8.4506 -8.4391 -8.4391 -8.4215 -8.4215 -8.3956 -8.3956 -7.3720 -7.3720 -2.7661 -2.7661 0.0015 0.0015 0.1933 0.1933 1.5099 1.5099 3.0682 3.0682 3.6779 3.6779 3.9774 3.9774 4.4293 4.4293 5.0613 5.0613 5.1632 5.1632 5.4831 5.4831 5.5366 5.5366 5.7269 5.7269 5.9392 5.9392 7.7848 7.7848 10.0303 10.0303 10.0605 10.0605 10.9790 10.9790 12.8025 12.8025 13.5057 13.5057 k = 0.0000 0.0000 0.2836 ( 4894 PWs) bands (ev): -13.0523 -13.0523 -13.0277 -13.0277 -11.7002 -11.7002 -11.2339 -11.2339 -10.9988 -10.9988 -10.9930 -10.9930 -10.9532 -10.9532 -9.4684 -9.4684 -8.6094 -8.6094 -8.4506 -8.4506 -8.4390 -8.4390 -8.4218 -8.4218 -8.3957 -8.3957 -7.3716 -7.3716 -2.7658 -2.7658 0.0003 0.0003 0.1922 0.1922 1.5135 1.5135 3.0717 3.0717 3.6778 3.6778 3.9787 3.9787 4.4290 4.4290 5.0608 5.0608 5.1626 5.1626 5.4834 5.4834 5.5369 5.5369 5.7271 5.7271 5.9391 5.9391 7.7810 7.7810 10.0330 10.0330 10.0533 10.0533 10.9784 10.9784 12.8058 12.8058 13.5014 13.5014 k = 0.0000 0.5000-0.0000 ( 4866 PWs) bands (ev): -13.0110 -13.0110 -13.0110 -13.0110 -11.4443 -11.4443 -11.4443 -11.4443 -10.9895 -10.9895 -10.9895 -10.9895 -10.1879 -10.1879 -10.1879 -10.1879 -8.5214 -8.5214 -8.5214 -8.5214 -8.3844 -8.3844 -8.3844 -8.3844 -7.9822 -7.9822 -7.9822 -7.9822 -1.6643 -1.6643 -1.6642 -1.6642 1.4467 1.4467 1.4467 1.4467 1.6443 1.6443 1.6443 1.6443 3.8775 3.8775 3.8775 3.8775 5.4537 5.4537 5.4537 5.4537 5.5156 5.5156 5.5156 5.5156 6.0303 6.0303 6.0303 6.0303 10.0627 10.0627 10.0627 10.0627 11.6591 11.6591 11.6591 11.6591 12.7578 12.7578 12.7578 12.7578 k = 0.0000 0.5000 0.0129 ( 4850 PWs) bands (ev): -13.0109 -13.0109 -13.0109 -13.0109 -11.4443 -11.4443 -11.4443 -11.4443 -10.9895 -10.9895 -10.9895 -10.9895 -10.1879 -10.1879 -10.1879 -10.1879 -8.5214 -8.5214 -8.5214 -8.5214 -8.3844 -8.3844 -8.3844 -8.3844 -7.9822 -7.9822 -7.9822 -7.9822 -1.6643 -1.6643 -1.6642 -1.6642 1.4467 1.4467 1.4468 1.4468 1.6443 1.6443 1.6444 1.6444 3.8774 3.8774 3.8774 3.8774 5.4537 5.4537 5.4537 5.4537 5.5160 5.5160 5.5160 5.5160 6.0300 6.0300 6.0300 6.0300 10.0629 10.0629 10.0629 10.0629 11.6592 11.6592 11.6592 11.6592 12.7552 12.7552 12.7552 12.7552 k = 0.0000 0.5000 0.0258 ( 4852 PWs) bands (ev): -13.0109 -13.0109 -13.0109 -13.0109 -11.4443 -11.4443 -11.4443 -11.4443 -10.9895 -10.9895 -10.9895 -10.9895 -10.1879 -10.1879 -10.1879 -10.1879 -8.5214 -8.5214 -8.5214 -8.5214 -8.3844 -8.3844 -8.3844 -8.3844 -7.9822 -7.9822 -7.9822 -7.9822 -1.6643 -1.6643 -1.6642 -1.6642 1.4470 1.4470 1.4470 1.4470 1.6444 1.6444 1.6444 1.6444 3.8772 3.8772 3.8772 3.8772 5.4536 5.4536 5.4536 5.4536 5.5169 5.5169 5.5169 5.5169 6.0292 6.0292 6.0292 6.0292 10.0637 10.0637 10.0637 10.0637 11.6593 11.6593 11.6593 11.6593 12.7475 12.7475 12.7475 12.7475 k = 0.0000 0.5000 0.0387 ( 4844 PWs) bands (ev): -13.0109 -13.0109 -13.0109 -13.0109 -11.4443 -11.4443 -11.4443 -11.4443 -10.9895 -10.9895 -10.9895 -10.9895 -10.1880 -10.1880 -10.1880 -10.1880 -8.5214 -8.5214 -8.5214 -8.5214 -8.3844 -8.3844 -8.3844 -8.3844 -7.9822 -7.9822 -7.9822 -7.9822 -1.6643 -1.6643 -1.6642 -1.6642 1.4473 1.4473 1.4473 1.4473 1.6446 1.6446 1.6446 1.6446 3.8768 3.8768 3.8768 3.8768 5.4534 5.4534 5.4534 5.4534 5.5185 5.5185 5.5185 5.5185 6.0279 6.0279 6.0279 6.0279 10.0650 10.0650 10.0650 10.0650 11.6595 11.6595 11.6595 11.6595 12.7349 12.7349 12.7350 12.7350 k = 0.0000 0.5000 0.0516 ( 4856 PWs) bands (ev): -13.0109 -13.0109 -13.0109 -13.0109 -11.4444 -11.4444 -11.4444 -11.4444 -10.9895 -10.9895 -10.9895 -10.9895 -10.1880 -10.1880 -10.1880 -10.1880 -8.5215 -8.5215 -8.5215 -8.5215 -8.3844 -8.3844 -8.3844 -8.3844 -7.9822 -7.9822 -7.9822 -7.9822 -1.6643 -1.6643 -1.6643 -1.6643 1.4478 1.4478 1.4478 1.4478 1.6448 1.6448 1.6448 1.6448 3.8762 3.8762 3.8762 3.8762 5.4531 5.4531 5.4531 5.4531 5.5207 5.5207 5.5207 5.5207 6.0261 6.0261 6.0261 6.0261 10.0668 10.0668 10.0668 10.0668 11.6598 11.6598 11.6598 11.6598 12.7180 12.7180 12.7180 12.7180 k = 0.0000 0.5000 0.0645 ( 4850 PWs) bands (ev): -13.0108 -13.0108 -13.0108 -13.0108 -11.4444 -11.4444 -11.4444 -11.4444 -10.9895 -10.9895 -10.9895 -10.9895 -10.1880 -10.1880 -10.1880 -10.1880 -8.5215 -8.5215 -8.5215 -8.5215 -8.3844 -8.3844 -8.3844 -8.3844 -7.9822 -7.9822 -7.9822 -7.9822 -1.6643 -1.6643 -1.6643 -1.6643 1.4484 1.4484 1.4485 1.4485 1.6451 1.6451 1.6451 1.6451 3.8755 3.8755 3.8755 3.8755 5.4527 5.4527 5.4527 5.4527 5.5234 5.5234 5.5234 5.5234 6.0239 6.0239 6.0239 6.0239 10.0690 10.0690 10.0690 10.0690 11.6600 11.6600 11.6600 11.6600 12.6971 12.6971 12.6971 12.6971 k = 0.0000 0.5000 0.0774 ( 4854 PWs) bands (ev): -13.0108 -13.0108 -13.0108 -13.0108 -11.4445 -11.4445 -11.4445 -11.4445 -10.9895 -10.9895 -10.9895 -10.9895 -10.1881 -10.1881 -10.1881 -10.1881 -8.5215 -8.5215 -8.5215 -8.5215 -8.3844 -8.3844 -8.3844 -8.3844 -7.9822 -7.9822 -7.9822 -7.9822 -1.6643 -1.6643 -1.6643 -1.6643 1.4492 1.4492 1.4492 1.4492 1.6454 1.6454 1.6454 1.6454 3.8746 3.8746 3.8746 3.8746 5.4523 5.4523 5.4523 5.4523 5.5267 5.5267 5.5267 5.5267 6.0212 6.0212 6.0212 6.0212 10.0717 10.0717 10.0717 10.0717 11.6603 11.6603 11.6603 11.6603 12.6730 12.6730 12.6730 12.6730 k = 0.0000 0.5000 0.0902 ( 4846 PWs) bands (ev): -13.0107 -13.0107 -13.0107 -13.0107 -11.4445 -11.4445 -11.4445 -11.4445 -10.9895 -10.9895 -10.9895 -10.9895 -10.1881 -10.1881 -10.1881 -10.1881 -8.5215 -8.5215 -8.5215 -8.5215 -8.3844 -8.3844 -8.3844 -8.3844 -7.9822 -7.9822 -7.9822 -7.9822 -1.6643 -1.6643 -1.6643 -1.6643 1.4500 1.4500 1.4500 1.4500 1.6457 1.6457 1.6458 1.6458 3.8737 3.8737 3.8737 3.8737 5.4518 5.4518 5.4518 5.4518 5.5304 5.5304 5.5304 5.5304 6.0182 6.0182 6.0182 6.0182 10.0747 10.0747 10.0747 10.0747 11.6605 11.6605 11.6605 11.6605 12.6463 12.6463 12.6463 12.6463 k = 0.0000 0.5000 0.1031 ( 4846 PWs) bands (ev): -13.0106 -13.0106 -13.0106 -13.0106 -11.4446 -11.4446 -11.4446 -11.4446 -10.9895 -10.9895 -10.9895 -10.9895 -10.1882 -10.1882 -10.1882 -10.1882 -8.5216 -8.5216 -8.5216 -8.5216 -8.3844 -8.3844 -8.3844 -8.3844 -7.9822 -7.9822 -7.9822 -7.9822 -1.6643 -1.6643 -1.6643 -1.6643 1.4509 1.4509 1.4509 1.4509 1.6461 1.6461 1.6462 1.6462 3.8727 3.8727 3.8727 3.8727 5.4512 5.4512 5.4512 5.4512 5.5345 5.5345 5.5345 5.5345 6.0149 6.0149 6.0149 6.0149 10.0781 10.0781 10.0781 10.0781 11.6607 11.6607 11.6607 11.6607 12.6177 12.6177 12.6177 12.6177 k = 0.0000 0.5000 0.1160 ( 4840 PWs) bands (ev): -13.0106 -13.0106 -13.0106 -13.0106 -11.4447 -11.4447 -11.4447 -11.4447 -10.9894 -10.9894 -10.9894 -10.9894 -10.1882 -10.1882 -10.1882 -10.1882 -8.5216 -8.5216 -8.5216 -8.5216 -8.3843 -8.3843 -8.3843 -8.3843 -7.9822 -7.9822 -7.9822 -7.9822 -1.6643 -1.6643 -1.6643 -1.6643 1.4519 1.4519 1.4519 1.4519 1.6466 1.6466 1.6466 1.6466 3.8716 3.8716 3.8716 3.8716 5.4505 5.4505 5.4505 5.4505 5.5389 5.5389 5.5389 5.5389 6.0113 6.0113 6.0113 6.0113 10.0818 10.0818 10.0818 10.0818 11.6606 11.6606 11.6607 11.6607 12.5880 12.5880 12.5880 12.5880 k = 0.0000 0.5000 0.1289 ( 4840 PWs) bands (ev): -13.0105 -13.0105 -13.0105 -13.0105 -11.4447 -11.4447 -11.4447 -11.4447 -10.9894 -10.9894 -10.9894 -10.9894 -10.1883 -10.1883 -10.1883 -10.1883 -8.5216 -8.5216 -8.5216 -8.5216 -8.3843 -8.3843 -8.3843 -8.3843 -7.9822 -7.9822 -7.9822 -7.9822 -1.6644 -1.6644 -1.6643 -1.6643 1.4529 1.4529 1.4529 1.4529 1.6470 1.6470 1.6470 1.6470 3.8705 3.8705 3.8705 3.8705 5.4498 5.4498 5.4498 5.4498 5.5435 5.5435 5.5435 5.5435 6.0076 6.0076 6.0076 6.0076 10.0856 10.0856 10.0856 10.0856 11.6605 11.6605 11.6605 11.6605 12.5579 12.5579 12.5579 12.5579 k = 0.0000 0.5000 0.1418 ( 4842 PWs) bands (ev): -13.0104 -13.0104 -13.0104 -13.0104 -11.4448 -11.4448 -11.4448 -11.4448 -10.9894 -10.9894 -10.9894 -10.9894 -10.1884 -10.1884 -10.1884 -10.1884 -8.5217 -8.5217 -8.5217 -8.5217 -8.3843 -8.3843 -8.3843 -8.3843 -7.9821 -7.9821 -7.9821 -7.9821 -1.6644 -1.6644 -1.6644 -1.6644 1.4539 1.4539 1.4539 1.4539 1.6475 1.6475 1.6475 1.6475 3.8694 3.8694 3.8694 3.8694 5.4490 5.4490 5.4490 5.4490 5.5482 5.5482 5.5482 5.5482 6.0038 6.0038 6.0038 6.0038 10.0896 10.0896 10.0896 10.0896 11.6601 11.6601 11.6601 11.6601 12.5279 12.5279 12.5279 12.5279 k = 0.0000 0.5000 0.1547 ( 4840 PWs) bands (ev): -13.0103 -13.0103 -13.0103 -13.0103 -11.4449 -11.4449 -11.4449 -11.4449 -10.9894 -10.9894 -10.9894 -10.9894 -10.1884 -10.1884 -10.1884 -10.1884 -8.5217 -8.5217 -8.5217 -8.5217 -8.3843 -8.3843 -8.3843 -8.3843 -7.9821 -7.9821 -7.9821 -7.9821 -1.6644 -1.6644 -1.6644 -1.6644 1.4549 1.4549 1.4549 1.4549 1.6479 1.6479 1.6479 1.6479 3.8682 3.8682 3.8682 3.8682 5.4482 5.4482 5.4482 5.4482 5.5530 5.5530 5.5530 5.5530 6.0000 6.0000 6.0000 6.0000 10.0937 10.0937 10.0937 10.0937 11.6596 11.6596 11.6596 11.6596 12.4988 12.4988 12.4988 12.4988 k = 0.0000 0.5000 0.1676 ( 4852 PWs) bands (ev): -13.0103 -13.0103 -13.0103 -13.0103 -11.4450 -11.4450 -11.4450 -11.4450 -10.9894 -10.9894 -10.9894 -10.9894 -10.1885 -10.1885 -10.1885 -10.1885 -8.5217 -8.5217 -8.5217 -8.5217 -8.3843 -8.3843 -8.3843 -8.3843 -7.9821 -7.9821 -7.9821 -7.9821 -1.6644 -1.6644 -1.6644 -1.6644 1.4559 1.4559 1.4559 1.4559 1.6484 1.6484 1.6484 1.6484 3.8672 3.8672 3.8672 3.8672 5.4474 5.4474 5.4474 5.4474 5.5576 5.5576 5.5576 5.5576 5.9963 5.9963 5.9963 5.9963 10.0977 10.0977 10.0977 10.0977 11.6588 11.6588 11.6588 11.6588 12.4710 12.4710 12.4711 12.4711 k = 0.0000 0.5000 0.1805 ( 4868 PWs) bands (ev): -13.0102 -13.0102 -13.0102 -13.0102 -11.4451 -11.4451 -11.4451 -11.4451 -10.9895 -10.9895 -10.9895 -10.9895 -10.1886 -10.1886 -10.1886 -10.1886 -8.5218 -8.5218 -8.5218 -8.5218 -8.3843 -8.3843 -8.3843 -8.3843 -7.9822 -7.9822 -7.9821 -7.9821 -1.6644 -1.6644 -1.6644 -1.6644 1.4568 1.4568 1.4569 1.4569 1.6488 1.6488 1.6488 1.6488 3.8661 3.8661 3.8661 3.8661 5.4467 5.4467 5.4467 5.4467 5.5621 5.5621 5.5621 5.5621 5.9927 5.9927 5.9927 5.9927 10.1016 10.1016 10.1016 10.1016 11.6578 11.6578 11.6578 11.6578 12.4451 12.4451 12.4452 12.4452 k = 0.0000 0.5000 0.1934 ( 4868 PWs) bands (ev): -13.0101 -13.0101 -13.0101 -13.0101 -11.4451 -11.4451 -11.4451 -11.4451 -10.9894 -10.9894 -10.9894 -10.9894 -10.1886 -10.1886 -10.1886 -10.1886 -8.5218 -8.5218 -8.5218 -8.5218 -8.3843 -8.3843 -8.3843 -8.3843 -7.9821 -7.9821 -7.9821 -7.9821 -1.6644 -1.6644 -1.6644 -1.6644 1.4577 1.4577 1.4577 1.4577 1.6492 1.6492 1.6492 1.6492 3.8652 3.8652 3.8652 3.8652 5.4460 5.4460 5.4460 5.4460 5.5663 5.5663 5.5663 5.5663 5.9893 5.9893 5.9893 5.9893 10.1054 10.1054 10.1054 10.1054 11.6567 11.6567 11.6567 11.6567 12.4215 12.4215 12.4215 12.4215 k = 0.0000 0.5000 0.2063 ( 4864 PWs) bands (ev): -13.0101 -13.0101 -13.0101 -13.0101 -11.4452 -11.4452 -11.4452 -11.4452 -10.9894 -10.9894 -10.9894 -10.9894 -10.1887 -10.1887 -10.1887 -10.1887 -8.5218 -8.5218 -8.5218 -8.5218 -8.3843 -8.3843 -8.3843 -8.3843 -7.9821 -7.9821 -7.9821 -7.9821 -1.6645 -1.6645 -1.6644 -1.6644 1.4585 1.4585 1.4586 1.4586 1.6496 1.6496 1.6496 1.6496 3.8643 3.8643 3.8643 3.8643 5.4453 5.4453 5.4453 5.4453 5.5702 5.5702 5.5702 5.5702 5.9862 5.9862 5.9863 5.9863 10.1088 10.1088 10.1088 10.1088 11.6555 11.6555 11.6555 11.6555 12.4004 12.4004 12.4004 12.4004 k = 0.0000 0.5000 0.2192 ( 4860 PWs) bands (ev): -13.0100 -13.0100 -13.0100 -13.0100 -11.4452 -11.4452 -11.4452 -11.4452 -10.9894 -10.9894 -10.9894 -10.9894 -10.1887 -10.1887 -10.1887 -10.1887 -8.5219 -8.5219 -8.5219 -8.5219 -8.3843 -8.3843 -8.3843 -8.3843 -7.9821 -7.9821 -7.9821 -7.9821 -1.6645 -1.6645 -1.6645 -1.6645 1.4593 1.4593 1.4593 1.4593 1.6499 1.6499 1.6499 1.6499 3.8636 3.8636 3.8636 3.8636 5.4447 5.4447 5.4447 5.4447 5.5736 5.5736 5.5736 5.5736 5.9835 5.9835 5.9835 5.9835 10.1119 10.1119 10.1119 10.1119 11.6543 11.6543 11.6543 11.6543 12.3822 12.3822 12.3822 12.3822 k = 0.0000 0.5000 0.2321 ( 4852 PWs) bands (ev): -13.0100 -13.0100 -13.0100 -13.0100 -11.4453 -11.4453 -11.4453 -11.4453 -10.9894 -10.9894 -10.9894 -10.9894 -10.1888 -10.1888 -10.1888 -10.1888 -8.5219 -8.5219 -8.5219 -8.5219 -8.3843 -8.3843 -8.3843 -8.3843 -7.9821 -7.9821 -7.9821 -7.9821 -1.6645 -1.6645 -1.6645 -1.6645 1.4599 1.4599 1.4599 1.4599 1.6502 1.6502 1.6502 1.6502 3.8630 3.8630 3.8630 3.8630 5.4442 5.4442 5.4442 5.4442 5.5765 5.5765 5.5765 5.5765 5.9812 5.9812 5.9812 5.9812 10.1145 10.1145 10.1146 10.1146 11.6531 11.6531 11.6531 11.6531 12.3670 12.3670 12.3670 12.3670 k = 0.0000 0.5000 0.2450 ( 4864 PWs) bands (ev): -13.0099 -13.0099 -13.0099 -13.0099 -11.4453 -11.4453 -11.4453 -11.4453 -10.9894 -10.9894 -10.9894 -10.9894 -10.1888 -10.1888 -10.1888 -10.1888 -8.5219 -8.5219 -8.5219 -8.5219 -8.3843 -8.3843 -8.3843 -8.3843 -7.9821 -7.9821 -7.9821 -7.9821 -1.6645 -1.6645 -1.6645 -1.6645 1.4603 1.4603 1.4604 1.4604 1.6504 1.6504 1.6504 1.6504 3.8625 3.8625 3.8625 3.8625 5.4438 5.4438 5.4438 5.4438 5.5788 5.5788 5.5788 5.5788 5.9794 5.9794 5.9794 5.9794 10.1167 10.1167 10.1167 10.1167 11.6521 11.6521 11.6521 11.6521 12.3551 12.3551 12.3551 12.3551 k = 0.0000 0.5000 0.2578 ( 4876 PWs) bands (ev): -13.0099 -13.0099 -13.0099 -13.0099 -11.4454 -11.4454 -11.4454 -11.4454 -10.9894 -10.9894 -10.9894 -10.9894 -10.1888 -10.1888 -10.1888 -10.1888 -8.5219 -8.5219 -8.5219 -8.5219 -8.3843 -8.3843 -8.3843 -8.3843 -7.9821 -7.9821 -7.9821 -7.9821 -1.6645 -1.6645 -1.6645 -1.6645 1.4607 1.4607 1.4607 1.4607 1.6506 1.6506 1.6506 1.6506 3.8621 3.8621 3.8621 3.8621 5.4435 5.4435 5.4435 5.4435 5.5804 5.5804 5.5804 5.5804 5.9780 5.9780 5.9780 5.9780 10.1182 10.1182 10.1182 10.1182 11.6513 11.6513 11.6513 11.6513 12.3465 12.3465 12.3465 12.3465 k = 0.0000 0.5000 0.2707 ( 4872 PWs) bands (ev): -13.0099 -13.0099 -13.0099 -13.0099 -11.4454 -11.4454 -11.4454 -11.4454 -10.9894 -10.9894 -10.9894 -10.9894 -10.1888 -10.1888 -10.1888 -10.1888 -8.5219 -8.5219 -8.5219 -8.5219 -8.3843 -8.3843 -8.3843 -8.3843 -7.9821 -7.9821 -7.9821 -7.9821 -1.6645 -1.6645 -1.6645 -1.6645 1.4609 1.4609 1.4609 1.4609 1.6507 1.6507 1.6507 1.6507 3.8619 3.8619 3.8619 3.8619 5.4434 5.4434 5.4434 5.4434 5.5815 5.5815 5.5815 5.5815 5.9772 5.9772 5.9772 5.9772 10.1192 10.1192 10.1192 10.1192 11.6508 11.6508 11.6508 11.6508 12.3413 12.3413 12.3413 12.3413 k = 0.0000 0.5000 0.2836 ( 4876 PWs) bands (ev): -13.0099 -13.0099 -13.0099 -13.0099 -11.4454 -11.4454 -11.4454 -11.4454 -10.9894 -10.9894 -10.9894 -10.9894 -10.1888 -10.1888 -10.1888 -10.1888 -8.5219 -8.5219 -8.5219 -8.5219 -8.3843 -8.3843 -8.3843 -8.3843 -7.9821 -7.9821 -7.9821 -7.9821 -1.6645 -1.6645 -1.6645 -1.6645 1.4610 1.4610 1.4610 1.4610 1.6507 1.6507 1.6507 1.6507 3.8618 3.8618 3.8618 3.8618 5.4433 5.4433 5.4433 5.4433 5.5818 5.5818 5.5818 5.5818 5.9769 5.9769 5.9769 5.9769 10.1195 10.1195 10.1195 10.1195 11.6506 11.6506 11.6507 11.6507 12.3396 12.3396 12.3396 12.3396 k = 0.5000 0.5000-0.0000 ( 4888 PWs) bands (ev): -13.0074 -13.0074 -13.0074 -13.0074 -11.5048 -11.5048 -11.5048 -11.5048 -10.9437 -10.9437 -10.9437 -10.9437 -10.0111 -10.0111 -10.0111 -10.0111 -8.4252 -8.4252 -8.4252 -8.4252 -8.3895 -8.3895 -8.3895 -8.3895 -7.7204 -7.7204 -7.7204 -7.7204 -3.2905 -3.2905 -3.2905 -3.2905 0.9730 0.9730 0.9730 0.9730 3.1703 3.1703 3.1703 3.1703 4.7183 4.7183 4.7183 4.7183 4.7382 4.7382 4.7382 4.7382 5.5238 5.5238 5.5238 5.5238 5.7385 5.7385 5.7385 5.7385 10.1918 10.1918 10.1918 10.1918 11.8235 11.8235 11.8235 11.8235 13.2845 13.2845 13.2845 13.2845 k = 0.5000 0.5000 0.0129 ( 4876 PWs) bands (ev): -13.0074 -13.0074 -13.0074 -13.0074 -11.5048 -11.5048 -11.5048 -11.5048 -10.9437 -10.9437 -10.9437 -10.9437 -10.0110 -10.0110 -10.0110 -10.0110 -8.4252 -8.4252 -8.4252 -8.4252 -8.3895 -8.3895 -8.3895 -8.3895 -7.7204 -7.7204 -7.7204 -7.7204 -3.2906 -3.2906 -3.2906 -3.2906 0.9728 0.9728 0.9728 0.9728 3.1714 3.1714 3.1714 3.1714 4.7194 4.7194 4.7194 4.7194 4.7383 4.7383 4.7383 4.7383 5.5229 5.5229 5.5229 5.5229 5.7365 5.7365 5.7365 5.7365 10.1920 10.1920 10.1920 10.1920 11.8255 11.8255 11.8255 11.8255 13.2835 13.2835 13.2835 13.2835 k = 0.5000 0.5000 0.0258 ( 4868 PWs) bands (ev): -13.0074 -13.0074 -13.0074 -13.0074 -11.5048 -11.5048 -11.5048 -11.5048 -10.9437 -10.9437 -10.9437 -10.9437 -10.0110 -10.0110 -10.0110 -10.0110 -8.4253 -8.4253 -8.4253 -8.4253 -8.3894 -8.3894 -8.3894 -8.3894 -7.7203 -7.7203 -7.7203 -7.7203 -3.2907 -3.2907 -3.2907 -3.2907 0.9723 0.9723 0.9723 0.9723 3.1745 3.1745 3.1745 3.1745 4.7226 4.7226 4.7226 4.7226 4.7386 4.7386 4.7386 4.7386 5.5203 5.5203 5.5203 5.5203 5.7305 5.7305 5.7305 5.7305 10.1927 10.1927 10.1927 10.1927 11.8314 11.8314 11.8314 11.8314 13.2805 13.2805 13.2805 13.2805 k = 0.5000 0.5000 0.0387 ( 4868 PWs) bands (ev): -13.0074 -13.0074 -13.0074 -13.0074 -11.5047 -11.5047 -11.5047 -11.5047 -10.9438 -10.9438 -10.9438 -10.9438 -10.0109 -10.0109 -10.0109 -10.0109 -8.4255 -8.4255 -8.4255 -8.4255 -8.3894 -8.3894 -8.3894 -8.3894 -7.7202 -7.7202 -7.7202 -7.7202 -3.2909 -3.2909 -3.2909 -3.2909 0.9714 0.9714 0.9714 0.9714 3.1798 3.1798 3.1798 3.1798 4.7274 4.7274 4.7274 4.7274 4.7395 4.7395 4.7395 4.7395 5.5158 5.5158 5.5158 5.5158 5.7207 5.7207 5.7207 5.7207 10.1938 10.1938 10.1938 10.1938 11.8411 11.8411 11.8411 11.8411 13.2755 13.2755 13.2755 13.2755 k = 0.5000 0.5000 0.0516 ( 4860 PWs) bands (ev): -13.0073 -13.0073 -13.0073 -13.0073 -11.5047 -11.5047 -11.5047 -11.5047 -10.9440 -10.9440 -10.9440 -10.9440 -10.0109 -10.0109 -10.0109 -10.0109 -8.4257 -8.4257 -8.4257 -8.4257 -8.3893 -8.3893 -8.3893 -8.3893 -7.7201 -7.7201 -7.7201 -7.7201 -3.2912 -3.2912 -3.2912 -3.2912 0.9703 0.9703 0.9703 0.9703 3.1870 3.1870 3.1870 3.1870 4.7324 4.7324 4.7324 4.7324 4.7425 4.7425 4.7425 4.7425 5.5096 5.5096 5.5096 5.5096 5.7072 5.7072 5.7072 5.7072 10.1953 10.1953 10.1953 10.1953 11.8545 11.8545 11.8545 11.8545 13.2689 13.2689 13.2689 13.2689 k = 0.5000 0.5000 0.0645 ( 4852 PWs) bands (ev): -13.0073 -13.0073 -13.0073 -13.0073 -11.5046 -11.5046 -11.5046 -11.5046 -10.9441 -10.9441 -10.9441 -10.9441 -10.0108 -10.0108 -10.0108 -10.0108 -8.4260 -8.4260 -8.4260 -8.4260 -8.3892 -8.3892 -8.3892 -8.3892 -7.7199 -7.7199 -7.7199 -7.7199 -3.2915 -3.2915 -3.2915 -3.2915 0.9689 0.9689 0.9689 0.9689 3.1961 3.1961 3.1961 3.1961 4.7350 4.7350 4.7350 4.7350 4.7501 4.7501 4.7501 4.7501 5.5017 5.5017 5.5017 5.5017 5.6903 5.6903 5.6903 5.6903 10.1970 10.1970 10.1970 10.1970 11.8713 11.8713 11.8713 11.8713 13.2609 13.2609 13.2609 13.2609 k = 0.5000 0.5000 0.0774 ( 4840 PWs) bands (ev): -13.0073 -13.0073 -13.0073 -13.0073 -11.5045 -11.5045 -11.5045 -11.5045 -10.9443 -10.9443 -10.9443 -10.9443 -10.0106 -10.0106 -10.0106 -10.0106 -8.4263 -8.4263 -8.4263 -8.4263 -8.3891 -8.3891 -8.3891 -8.3891 -7.7197 -7.7197 -7.7197 -7.7197 -3.2919 -3.2919 -3.2919 -3.2919 0.9672 0.9672 0.9672 0.9672 3.2070 3.2070 3.2070 3.2070 4.7359 4.7359 4.7359 4.7359 4.7615 4.7615 4.7615 4.7615 5.4920 5.4920 5.4920 5.4920 5.6703 5.6703 5.6703 5.6703 10.1990 10.1990 10.1990 10.1990 11.8912 11.8912 11.8912 11.8912 13.2516 13.2516 13.2516 13.2516 k = 0.5000 0.5000 0.0902 ( 4852 PWs) bands (ev): -13.0072 -13.0072 -13.0072 -13.0072 -11.5044 -11.5044 -11.5044 -11.5044 -10.9446 -10.9446 -10.9446 -10.9446 -10.0105 -10.0105 -10.0105 -10.0105 -8.4267 -8.4267 -8.4267 -8.4267 -8.3890 -8.3890 -8.3890 -8.3890 -7.7194 -7.7194 -7.7194 -7.7194 -3.2924 -3.2924 -3.2924 -3.2924 0.9652 0.9652 0.9652 0.9652 3.2195 3.2195 3.2195 3.2195 4.7362 4.7362 4.7362 4.7362 4.7754 4.7754 4.7754 4.7754 5.4806 5.4806 5.4806 5.4806 5.6476 5.6476 5.6476 5.6476 10.2011 10.2011 10.2011 10.2011 11.9138 11.9138 11.9138 11.9138 13.2415 13.2415 13.2415 13.2415 k = 0.5000 0.5000 0.1031 ( 4860 PWs) bands (ev): -13.0072 -13.0072 -13.0072 -13.0072 -11.5043 -11.5043 -11.5043 -11.5043 -10.9449 -10.9449 -10.9449 -10.9449 -10.0104 -10.0104 -10.0104 -10.0104 -8.4271 -8.4271 -8.4271 -8.4271 -8.3888 -8.3888 -8.3888 -8.3888 -7.7192 -7.7192 -7.7192 -7.7192 -3.2929 -3.2929 -3.2929 -3.2929 0.9631 0.9631 0.9631 0.9631 3.2334 3.2334 3.2334 3.2334 4.7364 4.7364 4.7364 4.7364 4.7915 4.7915 4.7915 4.7915 5.4676 5.4676 5.4676 5.4676 5.6226 5.6226 5.6226 5.6226 10.2033 10.2033 10.2033 10.2033 11.9388 11.9388 11.9388 11.9388 13.2309 13.2309 13.2309 13.2309 k = 0.5000 0.5000 0.1160 ( 4852 PWs) bands (ev): -13.0072 -13.0072 -13.0072 -13.0072 -11.5042 -11.5042 -11.5042 -11.5042 -10.9451 -10.9451 -10.9451 -10.9451 -10.0102 -10.0102 -10.0102 -10.0102 -8.4275 -8.4275 -8.4275 -8.4275 -8.3887 -8.3887 -8.3887 -8.3887 -7.7189 -7.7189 -7.7189 -7.7189 -3.2935 -3.2935 -3.2935 -3.2935 0.9609 0.9609 0.9609 0.9609 3.2485 3.2485 3.2485 3.2485 4.7365 4.7365 4.7365 4.7365 4.8093 4.8093 4.8093 4.8093 5.4528 5.4528 5.4528 5.4528 5.5959 5.5959 5.5959 5.5959 10.2054 10.2054 10.2054 10.2054 11.9657 11.9657 11.9657 11.9657 13.2201 13.2201 13.2201 13.2201 k = 0.5000 0.5000 0.1289 ( 4860 PWs) bands (ev): -13.0071 -13.0071 -13.0071 -13.0071 -11.5041 -11.5041 -11.5041 -11.5041 -10.9454 -10.9454 -10.9454 -10.9454 -10.0101 -10.0101 -10.0101 -10.0101 -8.4279 -8.4279 -8.4279 -8.4279 -8.3885 -8.3885 -8.3885 -8.3885 -7.7186 -7.7186 -7.7186 -7.7186 -3.2940 -3.2940 -3.2940 -3.2940 0.9586 0.9586 0.9586 0.9586 3.2646 3.2646 3.2646 3.2646 4.7366 4.7366 4.7366 4.7366 4.8289 4.8289 4.8289 4.8289 5.4365 5.4365 5.4365 5.4365 5.5679 5.5679 5.5679 5.5679 10.2075 10.2075 10.2075 10.2075 11.9938 11.9938 11.9938 11.9938 13.2096 13.2096 13.2096 13.2096 k = 0.5000 0.5000 0.1418 ( 4860 PWs) bands (ev): -13.0071 -13.0071 -13.0071 -13.0071 -11.5039 -11.5039 -11.5039 -11.5039 -10.9457 -10.9457 -10.9457 -10.9457 -10.0099 -10.0099 -10.0099 -10.0099 -8.4284 -8.4284 -8.4284 -8.4284 -8.3884 -8.3884 -8.3884 -8.3884 -7.7183 -7.7183 -7.7183 -7.7183 -3.2946 -3.2946 -3.2946 -3.2946 0.9562 0.9562 0.9562 0.9562 3.2813 3.2813 3.2813 3.2813 4.7367 4.7367 4.7367 4.7367 4.8501 4.8501 4.8501 4.8501 5.4187 5.4187 5.4187 5.4187 5.5392 5.5392 5.5392 5.5392 10.2094 10.2094 10.2094 10.2094 12.0226 12.0226 12.0226 12.0226 13.1995 13.1995 13.1995 13.1995 k = 0.5000 0.5000 0.1547 ( 4860 PWs) bands (ev): -13.0070 -13.0070 -13.0070 -13.0070 -11.5038 -11.5038 -11.5038 -11.5038 -10.9460 -10.9460 -10.9460 -10.9460 -10.0097 -10.0097 -10.0097 -10.0097 -8.4288 -8.4288 -8.4288 -8.4288 -8.3882 -8.3882 -8.3882 -8.3882 -7.7180 -7.7180 -7.7180 -7.7180 -3.2952 -3.2952 -3.2952 -3.2952 0.9539 0.9539 0.9539 0.9539 3.2984 3.2984 3.2984 3.2984 4.7367 4.7367 4.7367 4.7367 4.8726 4.8726 4.8726 4.8726 5.3993 5.3993 5.3993 5.3993 5.5103 5.5103 5.5103 5.5103 10.2111 10.2111 10.2111 10.2111 12.0514 12.0514 12.0515 12.0515 13.1903 13.1903 13.1903 13.1903 k = 0.5000 0.5000 0.1676 ( 4872 PWs) bands (ev): -13.0070 -13.0070 -13.0070 -13.0070 -11.5037 -11.5037 -11.5037 -11.5037 -10.9463 -10.9463 -10.9463 -10.9463 -10.0096 -10.0096 -10.0096 -10.0096 -8.4293 -8.4293 -8.4293 -8.4293 -8.3881 -8.3881 -8.3881 -8.3881 -7.7177 -7.7177 -7.7177 -7.7177 -3.2958 -3.2958 -3.2958 -3.2958 0.9516 0.9516 0.9516 0.9516 3.3156 3.3156 3.3156 3.3156 4.7367 4.7367 4.7367 4.7367 4.8964 4.8964 4.8964 4.8964 5.3786 5.3786 5.3786 5.3786 5.4818 5.4818 5.4818 5.4818 10.2127 10.2127 10.2127 10.2127 12.0798 12.0798 12.0798 12.0798 13.1820 13.1820 13.1820 13.1820 k = 0.5000 0.5000 0.1805 ( 4864 PWs) bands (ev): -13.0070 -13.0070 -13.0070 -13.0070 -11.5036 -11.5036 -11.5036 -11.5036 -10.9466 -10.9466 -10.9466 -10.9466 -10.0094 -10.0094 -10.0094 -10.0094 -8.4297 -8.4297 -8.4297 -8.4297 -8.3880 -8.3880 -8.3880 -8.3880 -7.7174 -7.7174 -7.7174 -7.7174 -3.2963 -3.2963 -3.2963 -3.2963 0.9494 0.9494 0.9494 0.9494 3.3324 3.3324 3.3324 3.3324 4.7368 4.7368 4.7368 4.7368 4.9212 4.9212 4.9212 4.9212 5.3567 5.3567 5.3567 5.3567 5.4543 5.4543 5.4543 5.4543 10.2140 10.2140 10.2140 10.2140 12.1069 12.1069 12.1069 12.1069 13.1750 13.1750 13.1750 13.1750 k = 0.5000 0.5000 0.1934 ( 4864 PWs) bands (ev): -13.0069 -13.0069 -13.0069 -13.0069 -11.5035 -11.5035 -11.5035 -11.5035 -10.9468 -10.9468 -10.9468 -10.9468 -10.0093 -10.0093 -10.0093 -10.0093 -8.4300 -8.4300 -8.4300 -8.4300 -8.3879 -8.3879 -8.3879 -8.3879 -7.7172 -7.7172 -7.7172 -7.7172 -3.2968 -3.2968 -3.2968 -3.2968 0.9473 0.9473 0.9473 0.9473 3.3485 3.3485 3.3485 3.3485 4.7368 4.7368 4.7368 4.7368 4.9468 4.9468 4.9468 4.9468 5.3338 5.3338 5.3338 5.3338 5.4282 5.4282 5.4282 5.4282 10.2151 10.2151 10.2151 10.2151 12.1323 12.1323 12.1323 12.1323 13.1692 13.1692 13.1692 13.1692 k = 0.5000 0.5000 0.2063 ( 4856 PWs) bands (ev): -13.0069 -13.0069 -13.0069 -13.0069 -11.5034 -11.5034 -11.5034 -11.5034 -10.9471 -10.9471 -10.9471 -10.9471 -10.0091 -10.0091 -10.0091 -10.0091 -8.4304 -8.4304 -8.4304 -8.4304 -8.3878 -8.3878 -8.3878 -8.3878 -7.7169 -7.7169 -7.7169 -7.7169 -3.2973 -3.2973 -3.2973 -3.2973 0.9454 0.9454 0.9454 0.9454 3.3635 3.3635 3.3635 3.3635 4.7368 4.7368 4.7368 4.7368 4.9731 4.9731 4.9731 4.9731 5.3101 5.3101 5.3101 5.3101 5.4041 5.4041 5.4041 5.4041 10.2160 10.2160 10.2160 10.2160 12.1554 12.1554 12.1554 12.1554 13.1646 13.1646 13.1646 13.1646 k = 0.5000 0.5000 0.2192 ( 4856 PWs) bands (ev): -13.0069 -13.0069 -13.0069 -13.0069 -11.5033 -11.5033 -11.5033 -11.5033 -10.9473 -10.9473 -10.9473 -10.9473 -10.0090 -10.0090 -10.0090 -10.0090 -8.4307 -8.4307 -8.4307 -8.4307 -8.3877 -8.3877 -8.3877 -8.3877 -7.7167 -7.7167 -7.7167 -7.7167 -3.2977 -3.2977 -3.2977 -3.2977 0.9438 0.9438 0.9438 0.9438 3.3770 3.3770 3.3770 3.3770 4.7368 4.7368 4.7368 4.7368 4.9997 4.9997 4.9997 4.9997 5.2859 5.2859 5.2859 5.2859 5.3825 5.3825 5.3825 5.3825 10.2167 10.2167 10.2167 10.2167 12.1756 12.1756 12.1756 12.1756 13.1612 13.1612 13.1612 13.1612 k = 0.5000 0.5000 0.2321 ( 4844 PWs) bands (ev): -13.0068 -13.0068 -13.0068 -13.0068 -11.5032 -11.5032 -11.5032 -11.5032 -10.9474 -10.9474 -10.9474 -10.9474 -10.0089 -10.0089 -10.0089 -10.0089 -8.4309 -8.4309 -8.4309 -8.4309 -8.3876 -8.3876 -8.3876 -8.3876 -7.7165 -7.7165 -7.7165 -7.7165 -3.2981 -3.2981 -3.2981 -3.2981 0.9424 0.9424 0.9424 0.9424 3.3886 3.3886 3.3886 3.3886 4.7369 4.7369 4.7369 4.7369 5.0264 5.0264 5.0264 5.0264 5.2615 5.2615 5.2615 5.2615 5.3638 5.3638 5.3638 5.3638 10.2173 10.2173 10.2173 10.2173 12.1927 12.1927 12.1927 12.1927 13.1589 13.1589 13.1589 13.1589 k = 0.5000 0.5000 0.2450 ( 4860 PWs) bands (ev): -13.0068 -13.0068 -13.0068 -13.0068 -11.5031 -11.5031 -11.5031 -11.5031 -10.9476 -10.9476 -10.9476 -10.9476 -10.0089 -10.0089 -10.0089 -10.0089 -8.4311 -8.4311 -8.4311 -8.4311 -8.3875 -8.3875 -8.3875 -8.3875 -7.7164 -7.7164 -7.7164 -7.7164 -3.2983 -3.2983 -3.2983 -3.2983 0.9413 0.9413 0.9413 0.9413 3.3981 3.3981 3.3981 3.3981 4.7369 4.7369 4.7369 4.7369 5.0525 5.0525 5.0525 5.0525 5.2372 5.2372 5.2372 5.2372 5.3486 5.3486 5.3486 5.3486 10.2177 10.2177 10.2177 10.2177 12.2063 12.2063 12.2063 12.2063 13.1573 13.1573 13.1573 13.1573 k = 0.5000 0.5000 0.2578 ( 4848 PWs) bands (ev): -13.0068 -13.0068 -13.0068 -13.0068 -11.5031 -11.5031 -11.5031 -11.5031 -10.9477 -10.9477 -10.9477 -10.9477 -10.0088 -10.0088 -10.0088 -10.0088 -8.4313 -8.4313 -8.4313 -8.4313 -8.3875 -8.3875 -8.3875 -8.3875 -7.7163 -7.7163 -7.7163 -7.7163 -3.2985 -3.2985 -3.2985 -3.2985 0.9404 0.9404 0.9404 0.9404 3.4050 3.4050 3.4050 3.4050 4.7369 4.7369 4.7369 4.7369 5.0771 5.0771 5.0771 5.0771 5.2141 5.2141 5.2141 5.2141 5.3373 5.3373 5.3373 5.3373 10.2180 10.2180 10.2180 10.2180 12.2162 12.2162 12.2162 12.2162 13.1564 13.1564 13.1564 13.1564 k = 0.5000 0.5000 0.2707 ( 4848 PWs) bands (ev): -13.0068 -13.0068 -13.0068 -13.0068 -11.5031 -11.5031 -11.5031 -11.5031 -10.9477 -10.9477 -10.9477 -10.9477 -10.0088 -10.0088 -10.0088 -10.0088 -8.4314 -8.4314 -8.4314 -8.4314 -8.3874 -8.3874 -8.3874 -8.3874 -7.7162 -7.7162 -7.7162 -7.7162 -3.2987 -3.2987 -3.2987 -3.2987 0.9400 0.9400 0.9400 0.9400 3.4093 3.4093 3.4093 3.4093 4.7369 4.7369 4.7369 4.7369 5.0975 5.0975 5.0975 5.0975 5.1947 5.1947 5.1947 5.1947 5.3304 5.3304 5.3304 5.3304 10.2182 10.2182 10.2182 10.2182 12.2221 12.2221 12.2221 12.2221 13.1560 13.1560 13.1560 13.1560 k = 0.5000 0.5000 0.2836 ( 4848 PWs) bands (ev): -13.0068 -13.0068 -13.0068 -13.0068 -11.5031 -11.5031 -11.5031 -11.5031 -10.9478 -10.9478 -10.9478 -10.9478 -10.0087 -10.0087 -10.0087 -10.0087 -8.4314 -8.4314 -8.4314 -8.4314 -8.3874 -8.3874 -8.3874 -8.3874 -7.7162 -7.7162 -7.7162 -7.7162 -3.2987 -3.2987 -3.2987 -3.2987 0.9398 0.9398 0.9398 0.9398 3.4108 3.4108 3.4108 3.4108 4.7369 4.7369 4.7369 4.7369 5.1065 5.1065 5.1065 5.1065 5.1861 5.1861 5.1861 5.1861 5.3281 5.3281 5.3281 5.3281 10.2182 10.2182 10.2182 10.2182 12.2241 12.2241 12.2241 12.2241 13.1558 13.1558 13.1558 13.1558 Writing output data file PbClF.save init_run : 0.27s CPU 0.67s WALL ( 1 calls) electrons : 177.18s CPU 180.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.11s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 177.16s CPU 180.86s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.09s WALL ( 341 calls) cegterg : 163.84s CPU 166.08s WALL ( 401 calls) Called by sum_band: Called by *egterg: h_psi : 85.81s CPU 87.62s WALL ( 5887 calls) s_psi : 6.90s CPU 7.14s WALL ( 5887 calls) g_psi : 0.36s CPU 0.31s WALL ( 5145 calls) cdiaghg : 57.65s CPU 58.15s WALL ( 5486 calls) cegterg:over : 9.19s CPU 9.29s WALL ( 5145 calls) cegterg:upda : 6.86s CPU 6.97s WALL ( 5145 calls) cegterg:last : 4.34s CPU 4.24s WALL ( 1083 calls) cdiaghg:chol : 3.66s CPU 3.37s WALL ( 5486 calls) cdiaghg:inve : 2.36s CPU 2.43s WALL ( 5486 calls) cdiaghg:para : 3.77s CPU 4.01s WALL ( 10972 calls) Called by h_psi: h_psi:vloc : 69.88s CPU 71.48s WALL ( 5887 calls) h_psi:vnl : 15.60s CPU 15.84s WALL ( 5887 calls) add_vuspsi : 8.33s CPU 8.32s WALL ( 5887 calls) General routines calbec : 7.26s CPU 7.50s WALL ( 5887 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 64.92s CPU 66.42s WALL ( 937884 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.27s WALL ( 682 calls) Parallel routines fft_scatter : 26.33s CPU 26.87s WALL ( 937907 calls) PWSCF : 3m20.43s CPU 3m45.53s WALL This run was terminated on: 17: 5:31 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=