Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:56:13 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: ./RbNaO.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 42 35 10 1980 1477 229 Max 43 36 12 1985 1495 236 Sum 1533 1265 365 71339 53519 8375 bravais-lattice index = 14 lattice parameter (alat) = 7.6874 a.u. unit-cell volume = 725.2215 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.687405 celldm(2)= 1.000000 celldm(3)= 1.596362 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 1.596362 ) 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 0.626424 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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. # 3 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 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 O 6.00 15.99940 O( 1.00) Na 9.00 22.98980 Na( 1.00) Rb 9.00 85.46780 Rb( 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= 350 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0028571 k( 3) = ( 0.0000000 0.0256410 -0.0000000), wk = 0.0028571 k( 4) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0028571 k( 5) = ( 0.0000000 0.0512821 -0.0000000), wk = 0.0028571 k( 6) = ( 0.0000000 0.0641026 -0.0000000), wk = 0.0028571 k( 7) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0028571 k( 8) = ( 0.0000000 0.0897436 -0.0000000), wk = 0.0028571 k( 9) = ( 0.0000000 0.1025641 -0.0000000), wk = 0.0028571 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0028571 k( 11) = ( 0.0000000 0.1282051 -0.0000000), wk = 0.0028571 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0028571 k( 13) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0028571 k( 14) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0028571 k( 15) = ( 0.0000000 0.1794872 -0.0000000), wk = 0.0028571 k( 16) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0028571 k( 17) = ( 0.0000000 0.2051282 -0.0000000), wk = 0.0028571 k( 18) = ( 0.0000000 0.2179487 -0.0000000), wk = 0.0028571 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0028571 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0028571 k( 21) = ( 0.0000000 0.2564103 -0.0000000), wk = 0.0028571 k( 22) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0028571 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0028571 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0028571 k( 25) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0028571 k( 26) = ( 0.0000000 0.3205128 -0.0000000), wk = 0.0028571 k( 27) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0028571 k( 28) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0028571 k( 29) = ( 0.0000000 0.3589744 -0.0000000), wk = 0.0028571 k( 30) = ( 0.0000000 0.3717949 -0.0000000), wk = 0.0028571 k( 31) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0028571 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0028571 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0028571 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0028571 k( 35) = ( 0.0000000 0.4358974 -0.0000000), wk = 0.0028571 k( 36) = ( 0.0000000 0.4487179 -0.0000000), wk = 0.0028571 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0028571 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0028571 k( 39) = ( 0.0000000 0.4871795 -0.0000000), wk = 0.0028571 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028571 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028571 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0028571 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0028571 k( 44) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0028571 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0028571 k( 46) = ( 0.0641026 0.5000000 -0.0000000), wk = 0.0028571 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0028571 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0028571 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0028571 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0028571 k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0028571 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0028571 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0028571 k( 54) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0028571 k( 55) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0028571 k( 56) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0028571 k( 57) = ( 0.2051282 0.5000000 -0.0000000), wk = 0.0028571 k( 58) = ( 0.2179487 0.5000000 -0.0000000), wk = 0.0028571 k( 59) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0028571 k( 60) = ( 0.2435897 0.5000000 -0.0000000), wk = 0.0028571 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0028571 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0028571 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0028571 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0028571 k( 65) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0028571 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0028571 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0028571 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0028571 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0028571 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0028571 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0028571 k( 72) = ( 0.3974359 0.5000000 -0.0000000), wk = 0.0028571 k( 73) = ( 0.4102564 0.5000000 -0.0000000), wk = 0.0028571 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0028571 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0028571 k( 76) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0028571 k( 77) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0028571 k( 78) = ( 0.4743590 0.5000000 -0.0000000), wk = 0.0028571 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0028571 k( 80) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028571 k( 81) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028571 k( 82) = ( 0.4909091 0.4909091 -0.0000000), wk = 0.0028571 k( 83) = ( 0.4818182 0.4818182 -0.0000000), wk = 0.0028571 k( 84) = ( 0.4727273 0.4727273 -0.0000000), wk = 0.0028571 k( 85) = ( 0.4636364 0.4636364 -0.0000000), wk = 0.0028571 k( 86) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0028571 k( 87) = ( 0.4454546 0.4454545 -0.0000000), wk = 0.0028571 k( 88) = ( 0.4363636 0.4363636 -0.0000000), wk = 0.0028571 k( 89) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0028571 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0028571 k( 91) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0028571 k( 92) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0028571 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0028571 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0028571 k( 95) = ( 0.3727273 0.3727273 -0.0000000), wk = 0.0028571 k( 96) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0028571 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0028571 k( 98) = ( 0.3454546 0.3454545 -0.0000000), wk = 0.0028571 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0028571 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0028571 k( 101) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0028571 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0028571 k( 103) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0028571 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0028571 k( 105) = ( 0.2818182 0.2818182 -0.0000000), wk = 0.0028571 k( 106) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0028571 k( 107) = ( 0.2636364 0.2636364 -0.0000000), wk = 0.0028571 k( 108) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0028571 k( 109) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0028571 k( 110) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0028571 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0028571 k( 112) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0028571 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0028571 k( 114) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0028571 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0028571 k( 116) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0028571 k( 117) = ( 0.1727273 0.1727273 -0.0000000), wk = 0.0028571 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0028571 k( 119) = ( 0.1545455 0.1545454 -0.0000000), wk = 0.0028571 k( 120) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0028571 k( 121) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0028571 k( 122) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0028571 k( 123) = ( 0.1181818 0.1181818 -0.0000000), wk = 0.0028571 k( 124) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0028571 k( 125) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0028571 k( 126) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0028571 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0028571 k( 128) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0028571 k( 129) = ( 0.0636364 0.0636364 -0.0000000), wk = 0.0028571 k( 130) = ( 0.0545455 0.0545454 -0.0000000), wk = 0.0028571 k( 131) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0028571 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0028571 k( 133) = ( 0.0272727 0.0272727 -0.0000000), wk = 0.0028571 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0028571 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0028571 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 138) = ( 0.0000000 0.0000000 0.0125285), wk = 0.0028571 k( 139) = ( 0.0000000 0.0000000 0.0250570), wk = 0.0028571 k( 140) = ( 0.0000000 0.0000000 0.0375855), wk = 0.0028571 k( 141) = ( 0.0000000 0.0000000 0.0501140), wk = 0.0028571 k( 142) = ( 0.0000000 0.0000000 0.0626424), wk = 0.0028571 k( 143) = ( 0.0000000 0.0000000 0.0751709), wk = 0.0028571 k( 144) = ( 0.0000000 0.0000000 0.0876994), wk = 0.0028571 k( 145) = ( 0.0000000 0.0000000 0.1002279), wk = 0.0028571 k( 146) = ( 0.0000000 0.0000000 0.1127564), wk = 0.0028571 k( 147) = ( 0.0000000 0.0000000 0.1252849), wk = 0.0028571 k( 148) = ( 0.0000000 0.0000000 0.1378134), wk = 0.0028571 k( 149) = ( 0.0000000 0.0000000 0.1503419), wk = 0.0028571 k( 150) = ( 0.0000000 0.0000000 0.1628703), wk = 0.0028571 k( 151) = ( 0.0000000 0.0000000 0.1753988), wk = 0.0028571 k( 152) = ( 0.0000000 0.0000000 0.1879273), wk = 0.0028571 k( 153) = ( 0.0000000 0.0000000 0.2004558), wk = 0.0028571 k( 154) = ( 0.0000000 0.0000000 0.2129843), wk = 0.0028571 k( 155) = ( 0.0000000 0.0000000 0.2255128), wk = 0.0028571 k( 156) = ( 0.0000000 0.0000000 0.2380413), wk = 0.0028571 k( 157) = ( 0.0000000 0.0000000 0.2505698), wk = 0.0028571 k( 158) = ( 0.0000000 0.0000000 0.2630982), wk = 0.0028571 k( 159) = ( 0.0000000 0.0000000 0.2756267), wk = 0.0028571 k( 160) = ( 0.0000000 0.0000000 0.2881552), wk = 0.0028571 k( 161) = ( 0.0000000 0.0000000 0.3006837), wk = 0.0028571 k( 162) = ( 0.0000000 0.0000000 0.3132122), wk = 0.0028571 k( 163) = ( 0.0000000 0.0000000 0.3132122), wk = 0.0028571 k( 164) = ( 0.0000000 0.0128205 0.3132122), wk = 0.0028571 k( 165) = ( 0.0000000 0.0256410 0.3132122), wk = 0.0028571 k( 166) = ( 0.0000000 0.0384615 0.3132122), wk = 0.0028571 k( 167) = ( 0.0000000 0.0512821 0.3132122), wk = 0.0028571 k( 168) = ( 0.0000000 0.0641026 0.3132122), wk = 0.0028571 k( 169) = ( 0.0000000 0.0769231 0.3132122), wk = 0.0028571 k( 170) = ( 0.0000000 0.0897436 0.3132122), wk = 0.0028571 k( 171) = ( 0.0000000 0.1025641 0.3132122), wk = 0.0028571 k( 172) = ( 0.0000000 0.1153846 0.3132122), wk = 0.0028571 k( 173) = ( 0.0000000 0.1282051 0.3132122), wk = 0.0028571 k( 174) = ( 0.0000000 0.1410256 0.3132122), wk = 0.0028571 k( 175) = ( 0.0000000 0.1538461 0.3132122), wk = 0.0028571 k( 176) = ( 0.0000000 0.1666667 0.3132122), wk = 0.0028571 k( 177) = ( 0.0000000 0.1794872 0.3132122), wk = 0.0028571 k( 178) = ( 0.0000000 0.1923077 0.3132122), wk = 0.0028571 k( 179) = ( 0.0000000 0.2051282 0.3132122), wk = 0.0028571 k( 180) = ( 0.0000000 0.2179487 0.3132122), wk = 0.0028571 k( 181) = ( 0.0000000 0.2307692 0.3132122), wk = 0.0028571 k( 182) = ( 0.0000000 0.2435897 0.3132122), wk = 0.0028571 k( 183) = ( 0.0000000 0.2564103 0.3132122), wk = 0.0028571 k( 184) = ( 0.0000000 0.2692308 0.3132122), wk = 0.0028571 k( 185) = ( 0.0000000 0.2820513 0.3132122), wk = 0.0028571 k( 186) = ( 0.0000000 0.2948718 0.3132122), wk = 0.0028571 k( 187) = ( 0.0000000 0.3076923 0.3132122), wk = 0.0028571 k( 188) = ( 0.0000000 0.3205128 0.3132122), wk = 0.0028571 k( 189) = ( 0.0000000 0.3333333 0.3132122), wk = 0.0028571 k( 190) = ( 0.0000000 0.3461538 0.3132122), wk = 0.0028571 k( 191) = ( 0.0000000 0.3589744 0.3132122), wk = 0.0028571 k( 192) = ( 0.0000000 0.3717949 0.3132122), wk = 0.0028571 k( 193) = ( 0.0000000 0.3846154 0.3132122), wk = 0.0028571 k( 194) = ( 0.0000000 0.3974359 0.3132122), wk = 0.0028571 k( 195) = ( 0.0000000 0.4102564 0.3132122), wk = 0.0028571 k( 196) = ( 0.0000000 0.4230769 0.3132122), wk = 0.0028571 k( 197) = ( 0.0000000 0.4358974 0.3132122), wk = 0.0028571 k( 198) = ( 0.0000000 0.4487179 0.3132122), wk = 0.0028571 k( 199) = ( 0.0000000 0.4615385 0.3132122), wk = 0.0028571 k( 200) = ( 0.0000000 0.4743590 0.3132122), wk = 0.0028571 k( 201) = ( 0.0000000 0.4871795 0.3132122), wk = 0.0028571 k( 202) = ( 0.0000000 0.5000000 0.3132122), wk = 0.0028571 k( 203) = ( 0.0000000 0.5000000 0.3132122), wk = 0.0028571 k( 204) = ( 0.0128205 0.5000000 0.3132122), wk = 0.0028571 k( 205) = ( 0.0256410 0.5000000 0.3132122), wk = 0.0028571 k( 206) = ( 0.0384615 0.5000000 0.3132122), wk = 0.0028571 k( 207) = ( 0.0512821 0.5000000 0.3132122), wk = 0.0028571 k( 208) = ( 0.0641026 0.5000000 0.3132122), wk = 0.0028571 k( 209) = ( 0.0769231 0.5000000 0.3132122), wk = 0.0028571 k( 210) = ( 0.0897436 0.5000000 0.3132122), wk = 0.0028571 k( 211) = ( 0.1025641 0.5000000 0.3132122), wk = 0.0028571 k( 212) = ( 0.1153846 0.5000000 0.3132122), wk = 0.0028571 k( 213) = ( 0.1282051 0.5000000 0.3132122), wk = 0.0028571 k( 214) = ( 0.1410256 0.5000000 0.3132122), wk = 0.0028571 k( 215) = ( 0.1538461 0.5000000 0.3132122), wk = 0.0028571 k( 216) = ( 0.1666667 0.5000000 0.3132122), wk = 0.0028571 k( 217) = ( 0.1794872 0.5000000 0.3132122), wk = 0.0028571 k( 218) = ( 0.1923077 0.5000000 0.3132122), wk = 0.0028571 k( 219) = ( 0.2051282 0.5000000 0.3132122), wk = 0.0028571 k( 220) = ( 0.2179487 0.5000000 0.3132122), wk = 0.0028571 k( 221) = ( 0.2307692 0.5000000 0.3132122), wk = 0.0028571 k( 222) = ( 0.2435897 0.5000000 0.3132122), wk = 0.0028571 k( 223) = ( 0.2564103 0.5000000 0.3132122), wk = 0.0028571 k( 224) = ( 0.2692308 0.5000000 0.3132122), wk = 0.0028571 k( 225) = ( 0.2820513 0.5000000 0.3132122), wk = 0.0028571 k( 226) = ( 0.2948718 0.5000000 0.3132122), wk = 0.0028571 k( 227) = ( 0.3076923 0.5000000 0.3132122), wk = 0.0028571 k( 228) = ( 0.3205128 0.5000000 0.3132122), wk = 0.0028571 k( 229) = ( 0.3333333 0.5000000 0.3132122), wk = 0.0028571 k( 230) = ( 0.3461538 0.5000000 0.3132122), wk = 0.0028571 k( 231) = ( 0.3589744 0.5000000 0.3132122), wk = 0.0028571 k( 232) = ( 0.3717949 0.5000000 0.3132122), wk = 0.0028571 k( 233) = ( 0.3846154 0.5000000 0.3132122), wk = 0.0028571 k( 234) = ( 0.3974359 0.5000000 0.3132122), wk = 0.0028571 k( 235) = ( 0.4102564 0.5000000 0.3132122), wk = 0.0028571 k( 236) = ( 0.4230769 0.5000000 0.3132122), wk = 0.0028571 k( 237) = ( 0.4358974 0.5000000 0.3132122), wk = 0.0028571 k( 238) = ( 0.4487179 0.5000000 0.3132122), wk = 0.0028571 k( 239) = ( 0.4615385 0.5000000 0.3132122), wk = 0.0028571 k( 240) = ( 0.4743590 0.5000000 0.3132122), wk = 0.0028571 k( 241) = ( 0.4871795 0.5000000 0.3132122), wk = 0.0028571 k( 242) = ( 0.5000000 0.5000000 0.3132122), wk = 0.0028571 k( 243) = ( 0.5000000 0.5000000 0.3132122), wk = 0.0028571 k( 244) = ( 0.4909091 0.4909091 0.3132122), wk = 0.0028571 k( 245) = ( 0.4818182 0.4818182 0.3132122), wk = 0.0028571 k( 246) = ( 0.4727273 0.4727273 0.3132122), wk = 0.0028571 k( 247) = ( 0.4636364 0.4636364 0.3132122), wk = 0.0028571 k( 248) = ( 0.4545455 0.4545454 0.3132122), wk = 0.0028571 k( 249) = ( 0.4454546 0.4454545 0.3132122), wk = 0.0028571 k( 250) = ( 0.4363636 0.4363636 0.3132122), wk = 0.0028571 k( 251) = ( 0.4272727 0.4272727 0.3132122), wk = 0.0028571 k( 252) = ( 0.4181818 0.4181818 0.3132122), wk = 0.0028571 k( 253) = ( 0.4090909 0.4090909 0.3132122), wk = 0.0028571 k( 254) = ( 0.4000000 0.4000000 0.3132122), wk = 0.0028571 k( 255) = ( 0.3909091 0.3909091 0.3132122), wk = 0.0028571 k( 256) = ( 0.3818182 0.3818182 0.3132122), wk = 0.0028571 k( 257) = ( 0.3727273 0.3727273 0.3132122), wk = 0.0028571 k( 258) = ( 0.3636364 0.3636364 0.3132122), wk = 0.0028571 k( 259) = ( 0.3545454 0.3545454 0.3132122), wk = 0.0028571 k( 260) = ( 0.3454546 0.3454545 0.3132122), wk = 0.0028571 k( 261) = ( 0.3363636 0.3363636 0.3132122), wk = 0.0028571 k( 262) = ( 0.3272727 0.3272727 0.3132122), wk = 0.0028571 k( 263) = ( 0.3181818 0.3181818 0.3132122), wk = 0.0028571 k( 264) = ( 0.3090909 0.3090909 0.3132122), wk = 0.0028571 k( 265) = ( 0.3000000 0.3000000 0.3132122), wk = 0.0028571 k( 266) = ( 0.2909091 0.2909091 0.3132122), wk = 0.0028571 k( 267) = ( 0.2818182 0.2818182 0.3132122), wk = 0.0028571 k( 268) = ( 0.2727273 0.2727273 0.3132122), wk = 0.0028571 k( 269) = ( 0.2636364 0.2636364 0.3132122), wk = 0.0028571 k( 270) = ( 0.2545455 0.2545455 0.3132122), wk = 0.0028571 k( 271) = ( 0.2454545 0.2454545 0.3132122), wk = 0.0028571 k( 272) = ( 0.2363636 0.2363636 0.3132122), wk = 0.0028571 k( 273) = ( 0.2272727 0.2272727 0.3132122), wk = 0.0028571 k( 274) = ( 0.2181818 0.2181818 0.3132122), wk = 0.0028571 k( 275) = ( 0.2090909 0.2090909 0.3132122), wk = 0.0028571 k( 276) = ( 0.2000000 0.2000000 0.3132122), wk = 0.0028571 k( 277) = ( 0.1909091 0.1909091 0.3132122), wk = 0.0028571 k( 278) = ( 0.1818182 0.1818182 0.3132122), wk = 0.0028571 k( 279) = ( 0.1727273 0.1727273 0.3132122), wk = 0.0028571 k( 280) = ( 0.1636364 0.1636364 0.3132122), wk = 0.0028571 k( 281) = ( 0.1545455 0.1545454 0.3132122), wk = 0.0028571 k( 282) = ( 0.1454545 0.1454545 0.3132122), wk = 0.0028571 k( 283) = ( 0.1363636 0.1363636 0.3132122), wk = 0.0028571 k( 284) = ( 0.1272727 0.1272727 0.3132122), wk = 0.0028571 k( 285) = ( 0.1181818 0.1181818 0.3132122), wk = 0.0028571 k( 286) = ( 0.1090909 0.1090909 0.3132122), wk = 0.0028571 k( 287) = ( 0.1000000 0.1000000 0.3132122), wk = 0.0028571 k( 288) = ( 0.0909091 0.0909091 0.3132122), wk = 0.0028571 k( 289) = ( 0.0818182 0.0818182 0.3132122), wk = 0.0028571 k( 290) = ( 0.0727273 0.0727273 0.3132122), wk = 0.0028571 k( 291) = ( 0.0636364 0.0636364 0.3132122), wk = 0.0028571 k( 292) = ( 0.0545455 0.0545454 0.3132122), wk = 0.0028571 k( 293) = ( 0.0454546 0.0454545 0.3132122), wk = 0.0028571 k( 294) = ( 0.0363636 0.0363636 0.3132122), wk = 0.0028571 k( 295) = ( 0.0272727 0.0272727 0.3132122), wk = 0.0028571 k( 296) = ( 0.0181818 0.0181818 0.3132122), wk = 0.0028571 k( 297) = ( 0.0090909 0.0090909 0.3132122), wk = 0.0028571 k( 298) = ( 0.0000000 0.0000000 0.3132122), wk = 0.0028571 k( 299) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028571 k( 300) = ( 0.0000000 0.5000000 0.0125285), wk = 0.0028571 k( 301) = ( 0.0000000 0.5000000 0.0250570), wk = 0.0028571 k( 302) = ( 0.0000000 0.5000000 0.0375855), wk = 0.0028571 k( 303) = ( 0.0000000 0.5000000 0.0501140), wk = 0.0028571 k( 304) = ( 0.0000000 0.5000000 0.0626424), wk = 0.0028571 k( 305) = ( 0.0000000 0.5000000 0.0751709), wk = 0.0028571 k( 306) = ( 0.0000000 0.5000000 0.0876994), wk = 0.0028571 k( 307) = ( 0.0000000 0.5000000 0.1002279), wk = 0.0028571 k( 308) = ( 0.0000000 0.5000000 0.1127564), wk = 0.0028571 k( 309) = ( 0.0000000 0.5000000 0.1252849), wk = 0.0028571 k( 310) = ( 0.0000000 0.5000000 0.1378134), wk = 0.0028571 k( 311) = ( 0.0000000 0.5000000 0.1503419), wk = 0.0028571 k( 312) = ( 0.0000000 0.5000000 0.1628703), wk = 0.0028571 k( 313) = ( 0.0000000 0.5000000 0.1753988), wk = 0.0028571 k( 314) = ( 0.0000000 0.5000000 0.1879273), wk = 0.0028571 k( 315) = ( 0.0000000 0.5000000 0.2004558), wk = 0.0028571 k( 316) = ( 0.0000000 0.5000000 0.2129843), wk = 0.0028571 k( 317) = ( 0.0000000 0.5000000 0.2255128), wk = 0.0028571 k( 318) = ( 0.0000000 0.5000000 0.2380413), wk = 0.0028571 k( 319) = ( 0.0000000 0.5000000 0.2505698), wk = 0.0028571 k( 320) = ( 0.0000000 0.5000000 0.2630982), wk = 0.0028571 k( 321) = ( 0.0000000 0.5000000 0.2756267), wk = 0.0028571 k( 322) = ( 0.0000000 0.5000000 0.2881552), wk = 0.0028571 k( 323) = ( 0.0000000 0.5000000 0.3006837), wk = 0.0028571 k( 324) = ( 0.0000000 0.5000000 0.3132122), wk = 0.0028571 k( 325) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0028571 k( 326) = ( 0.5000000 0.5000000 0.0125285), wk = 0.0028571 k( 327) = ( 0.5000000 0.5000000 0.0250570), wk = 0.0028571 k( 328) = ( 0.5000000 0.5000000 0.0375855), wk = 0.0028571 k( 329) = ( 0.5000000 0.5000000 0.0501140), wk = 0.0028571 k( 330) = ( 0.5000000 0.5000000 0.0626424), wk = 0.0028571 k( 331) = ( 0.5000000 0.5000000 0.0751709), wk = 0.0028571 k( 332) = ( 0.5000000 0.5000000 0.0876994), wk = 0.0028571 k( 333) = ( 0.5000000 0.5000000 0.1002279), wk = 0.0028571 k( 334) = ( 0.5000000 0.5000000 0.1127564), wk = 0.0028571 k( 335) = ( 0.5000000 0.5000000 0.1252849), wk = 0.0028571 k( 336) = ( 0.5000000 0.5000000 0.1378134), wk = 0.0028571 k( 337) = ( 0.5000000 0.5000000 0.1503419), wk = 0.0028571 k( 338) = ( 0.5000000 0.5000000 0.1628703), wk = 0.0028571 k( 339) = ( 0.5000000 0.5000000 0.1753988), wk = 0.0028571 k( 340) = ( 0.5000000 0.5000000 0.1879273), wk = 0.0028571 k( 341) = ( 0.5000000 0.5000000 0.2004558), wk = 0.0028571 k( 342) = ( 0.5000000 0.5000000 0.2129843), wk = 0.0028571 k( 343) = ( 0.5000000 0.5000000 0.2255128), wk = 0.0028571 k( 344) = ( 0.5000000 0.5000000 0.2380413), wk = 0.0028571 k( 345) = ( 0.5000000 0.5000000 0.2505698), wk = 0.0028571 k( 346) = ( 0.5000000 0.5000000 0.2630982), wk = 0.0028571 k( 347) = ( 0.5000000 0.5000000 0.2756267), wk = 0.0028571 k( 348) = ( 0.5000000 0.5000000 0.2881552), wk = 0.0028571 k( 349) = ( 0.5000000 0.5000000 0.3006837), wk = 0.0028571 k( 350) = ( 0.5000000 0.5000000 0.3132122), wk = 0.0028571 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 2) = ( 0.0000000 0.0128205 -0.0000000), wk = 0.0028571 k( 3) = ( 0.0000000 0.0256410 0.0000000), wk = 0.0028571 k( 4) = ( 0.0000000 0.0384615 0.0000000), wk = 0.0028571 k( 5) = ( 0.0000000 0.0512821 0.0000000), wk = 0.0028571 k( 6) = ( 0.0000000 0.0641026 0.0000000), wk = 0.0028571 k( 7) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0028571 k( 8) = ( 0.0000000 0.0897436 0.0000000), wk = 0.0028571 k( 9) = ( 0.0000000 0.1025641 0.0000000), wk = 0.0028571 k( 10) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0028571 k( 11) = ( 0.0000000 0.1282051 0.0000000), wk = 0.0028571 k( 12) = ( 0.0000000 0.1410256 -0.0000000), wk = 0.0028571 k( 13) = ( 0.0000000 0.1538461 0.0000000), wk = 0.0028571 k( 14) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0028571 k( 15) = ( 0.0000000 0.1794872 0.0000000), wk = 0.0028571 k( 16) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0028571 k( 17) = ( 0.0000000 0.2051282 0.0000000), wk = 0.0028571 k( 18) = ( 0.0000000 0.2179487 0.0000000), wk = 0.0028571 k( 19) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0028571 k( 20) = ( 0.0000000 0.2435897 -0.0000000), wk = 0.0028571 k( 21) = ( 0.0000000 0.2564103 0.0000000), wk = 0.0028571 k( 22) = ( 0.0000000 0.2692308 0.0000000), wk = 0.0028571 k( 23) = ( 0.0000000 0.2820513 -0.0000000), wk = 0.0028571 k( 24) = ( 0.0000000 0.2948718 -0.0000000), wk = 0.0028571 k( 25) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0028571 k( 26) = ( 0.0000000 0.3205128 0.0000000), wk = 0.0028571 k( 27) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0028571 k( 28) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0028571 k( 29) = ( 0.0000000 0.3589744 0.0000000), wk = 0.0028571 k( 30) = ( 0.0000000 0.3717949 0.0000000), wk = 0.0028571 k( 31) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0028571 k( 32) = ( 0.0000000 0.3974359 -0.0000000), wk = 0.0028571 k( 33) = ( 0.0000000 0.4102564 -0.0000000), wk = 0.0028571 k( 34) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0028571 k( 35) = ( 0.0000000 0.4358974 0.0000000), wk = 0.0028571 k( 36) = ( 0.0000000 0.4487179 0.0000000), wk = 0.0028571 k( 37) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0028571 k( 38) = ( 0.0000000 0.4743590 -0.0000000), wk = 0.0028571 k( 39) = ( 0.0000000 0.4871795 0.0000000), wk = 0.0028571 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028571 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028571 k( 42) = ( 0.0128205 0.5000000 -0.0000000), wk = 0.0028571 k( 43) = ( 0.0256410 0.5000000 -0.0000000), wk = 0.0028571 k( 44) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0028571 k( 45) = ( 0.0512821 0.5000000 -0.0000000), wk = 0.0028571 k( 46) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0028571 k( 47) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0028571 k( 48) = ( 0.0897436 0.5000000 -0.0000000), wk = 0.0028571 k( 49) = ( 0.1025641 0.5000000 -0.0000000), wk = 0.0028571 k( 50) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0028571 k( 51) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0028571 k( 52) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0028571 k( 53) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0028571 k( 54) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0028571 k( 55) = ( 0.1794872 0.5000000 0.0000000), wk = 0.0028571 k( 56) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0028571 k( 57) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0028571 k( 58) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0028571 k( 59) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0028571 k( 60) = ( 0.2435897 0.5000000 0.0000000), wk = 0.0028571 k( 61) = ( 0.2564103 0.5000000 -0.0000000), wk = 0.0028571 k( 62) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0028571 k( 63) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0028571 k( 64) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0028571 k( 65) = ( 0.3076923 0.5000000 0.0000000), wk = 0.0028571 k( 66) = ( 0.3205128 0.5000000 -0.0000000), wk = 0.0028571 k( 67) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0028571 k( 68) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0028571 k( 69) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0028571 k( 70) = ( 0.3717949 0.5000000 -0.0000000), wk = 0.0028571 k( 71) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0028571 k( 72) = ( 0.3974359 0.5000000 0.0000000), wk = 0.0028571 k( 73) = ( 0.4102564 0.5000000 0.0000000), wk = 0.0028571 k( 74) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0028571 k( 75) = ( 0.4358974 0.5000000 -0.0000000), wk = 0.0028571 k( 76) = ( 0.4487179 0.5000000 0.0000000), wk = 0.0028571 k( 77) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0028571 k( 78) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0028571 k( 79) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0028571 k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028571 k( 81) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028571 k( 82) = ( 0.4909091 0.4909091 0.0000000), wk = 0.0028571 k( 83) = ( 0.4818182 0.4818182 0.0000000), wk = 0.0028571 k( 84) = ( 0.4727273 0.4727273 -0.0000000), wk = 0.0028571 k( 85) = ( 0.4636364 0.4636364 -0.0000000), wk = 0.0028571 k( 86) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0028571 k( 87) = ( 0.4454546 0.4454546 -0.0000000), wk = 0.0028571 k( 88) = ( 0.4363636 0.4363636 0.0000000), wk = 0.0028571 k( 89) = ( 0.4272727 0.4272727 -0.0000000), wk = 0.0028571 k( 90) = ( 0.4181818 0.4181818 -0.0000000), wk = 0.0028571 k( 91) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0028571 k( 92) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0028571 k( 93) = ( 0.3909091 0.3909091 -0.0000000), wk = 0.0028571 k( 94) = ( 0.3818182 0.3818182 -0.0000000), wk = 0.0028571 k( 95) = ( 0.3727273 0.3727273 -0.0000000), wk = 0.0028571 k( 96) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0028571 k( 97) = ( 0.3545454 0.3545454 -0.0000000), wk = 0.0028571 k( 98) = ( 0.3454546 0.3454546 -0.0000000), wk = 0.0028571 k( 99) = ( 0.3363636 0.3363636 -0.0000000), wk = 0.0028571 k( 100) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0028571 k( 101) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0028571 k( 102) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0028571 k( 103) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0028571 k( 104) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0028571 k( 105) = ( 0.2818182 0.2818182 0.0000000), wk = 0.0028571 k( 106) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0028571 k( 107) = ( 0.2636364 0.2636364 0.0000000), wk = 0.0028571 k( 108) = ( 0.2545455 0.2545455 0.0000000), wk = 0.0028571 k( 109) = ( 0.2454545 0.2454545 -0.0000000), wk = 0.0028571 k( 110) = ( 0.2363636 0.2363636 0.0000000), wk = 0.0028571 k( 111) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0028571 k( 112) = ( 0.2181818 0.2181818 0.0000000), wk = 0.0028571 k( 113) = ( 0.2090909 0.2090909 -0.0000000), wk = 0.0028571 k( 114) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0028571 k( 115) = ( 0.1909091 0.1909091 -0.0000000), wk = 0.0028571 k( 116) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0028571 k( 117) = ( 0.1727273 0.1727273 0.0000000), wk = 0.0028571 k( 118) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0028571 k( 119) = ( 0.1545455 0.1545455 -0.0000000), wk = 0.0028571 k( 120) = ( 0.1454545 0.1454545 0.0000000), wk = 0.0028571 k( 121) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0028571 k( 122) = ( 0.1272727 0.1272727 0.0000000), wk = 0.0028571 k( 123) = ( 0.1181818 0.1181818 0.0000000), wk = 0.0028571 k( 124) = ( 0.1090909 0.1090909 0.0000000), wk = 0.0028571 k( 125) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0028571 k( 126) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0028571 k( 127) = ( 0.0818182 0.0818182 -0.0000000), wk = 0.0028571 k( 128) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0028571 k( 129) = ( 0.0636364 0.0636364 -0.0000000), wk = 0.0028571 k( 130) = ( 0.0545455 0.0545455 0.0000000), wk = 0.0028571 k( 131) = ( 0.0454546 0.0454546 -0.0000000), wk = 0.0028571 k( 132) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0028571 k( 133) = ( 0.0272727 0.0272727 0.0000000), wk = 0.0028571 k( 134) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0028571 k( 135) = ( 0.0090909 0.0090909 -0.0000000), wk = 0.0028571 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028571 k( 138) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0028571 k( 139) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0028571 k( 140) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0028571 k( 141) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0028571 k( 142) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028571 k( 143) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0028571 k( 144) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0028571 k( 145) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0028571 k( 146) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0028571 k( 147) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028571 k( 148) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0028571 k( 149) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0028571 k( 150) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0028571 k( 151) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0028571 k( 152) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028571 k( 153) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0028571 k( 154) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0028571 k( 155) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0028571 k( 156) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0028571 k( 157) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028571 k( 158) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0028571 k( 159) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0028571 k( 160) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0028571 k( 161) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0028571 k( 162) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 164) = ( 0.0000000 0.0128205 0.5000000), wk = 0.0028571 k( 165) = ( 0.0000000 0.0256410 0.5000000), wk = 0.0028571 k( 166) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0028571 k( 167) = ( 0.0000000 0.0512821 0.5000000), wk = 0.0028571 k( 168) = ( 0.0000000 0.0641026 0.5000000), wk = 0.0028571 k( 169) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0028571 k( 170) = ( 0.0000000 0.0897436 0.5000000), wk = 0.0028571 k( 171) = ( 0.0000000 0.1025641 0.5000000), wk = 0.0028571 k( 172) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0028571 k( 173) = ( 0.0000000 0.1282051 0.5000000), wk = 0.0028571 k( 174) = ( 0.0000000 0.1410256 0.5000000), wk = 0.0028571 k( 175) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0028571 k( 176) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0028571 k( 177) = ( 0.0000000 0.1794872 0.5000000), wk = 0.0028571 k( 178) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0028571 k( 179) = ( 0.0000000 0.2051282 0.5000000), wk = 0.0028571 k( 180) = ( 0.0000000 0.2179487 0.5000000), wk = 0.0028571 k( 181) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0028571 k( 182) = ( 0.0000000 0.2435897 0.5000000), wk = 0.0028571 k( 183) = ( 0.0000000 0.2564103 0.5000000), wk = 0.0028571 k( 184) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0028571 k( 185) = ( 0.0000000 0.2820513 0.5000000), wk = 0.0028571 k( 186) = ( 0.0000000 0.2948718 0.5000000), wk = 0.0028571 k( 187) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0028571 k( 188) = ( 0.0000000 0.3205128 0.5000000), wk = 0.0028571 k( 189) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0028571 k( 190) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0028571 k( 191) = ( 0.0000000 0.3589744 0.5000000), wk = 0.0028571 k( 192) = ( 0.0000000 0.3717949 0.5000000), wk = 0.0028571 k( 193) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0028571 k( 194) = ( 0.0000000 0.3974359 0.5000000), wk = 0.0028571 k( 195) = ( 0.0000000 0.4102564 0.5000000), wk = 0.0028571 k( 196) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0028571 k( 197) = ( 0.0000000 0.4358974 0.5000000), wk = 0.0028571 k( 198) = ( 0.0000000 0.4487179 0.5000000), wk = 0.0028571 k( 199) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0028571 k( 200) = ( 0.0000000 0.4743590 0.5000000), wk = 0.0028571 k( 201) = ( 0.0000000 0.4871795 0.5000000), wk = 0.0028571 k( 202) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028571 k( 203) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028571 k( 204) = ( 0.0128205 0.5000000 0.5000000), wk = 0.0028571 k( 205) = ( 0.0256410 0.5000000 0.5000000), wk = 0.0028571 k( 206) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0028571 k( 207) = ( 0.0512821 0.5000000 0.5000000), wk = 0.0028571 k( 208) = ( 0.0641026 0.5000000 0.5000000), wk = 0.0028571 k( 209) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0028571 k( 210) = ( 0.0897436 0.5000000 0.5000000), wk = 0.0028571 k( 211) = ( 0.1025641 0.5000000 0.5000000), wk = 0.0028571 k( 212) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0028571 k( 213) = ( 0.1282051 0.5000000 0.5000000), wk = 0.0028571 k( 214) = ( 0.1410256 0.5000000 0.5000000), wk = 0.0028571 k( 215) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0028571 k( 216) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0028571 k( 217) = ( 0.1794872 0.5000000 0.5000000), wk = 0.0028571 k( 218) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0028571 k( 219) = ( 0.2051282 0.5000000 0.5000000), wk = 0.0028571 k( 220) = ( 0.2179487 0.5000000 0.5000000), wk = 0.0028571 k( 221) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0028571 k( 222) = ( 0.2435897 0.5000000 0.5000000), wk = 0.0028571 k( 223) = ( 0.2564103 0.5000000 0.5000000), wk = 0.0028571 k( 224) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0028571 k( 225) = ( 0.2820513 0.5000000 0.5000000), wk = 0.0028571 k( 226) = ( 0.2948718 0.5000000 0.5000000), wk = 0.0028571 k( 227) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0028571 k( 228) = ( 0.3205128 0.5000000 0.5000000), wk = 0.0028571 k( 229) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0028571 k( 230) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0028571 k( 231) = ( 0.3589744 0.5000000 0.5000000), wk = 0.0028571 k( 232) = ( 0.3717949 0.5000000 0.5000000), wk = 0.0028571 k( 233) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0028571 k( 234) = ( 0.3974359 0.5000000 0.5000000), wk = 0.0028571 k( 235) = ( 0.4102564 0.5000000 0.5000000), wk = 0.0028571 k( 236) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0028571 k( 237) = ( 0.4358974 0.5000000 0.5000000), wk = 0.0028571 k( 238) = ( 0.4487179 0.5000000 0.5000000), wk = 0.0028571 k( 239) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0028571 k( 240) = ( 0.4743590 0.5000000 0.5000000), wk = 0.0028571 k( 241) = ( 0.4871795 0.5000000 0.5000000), wk = 0.0028571 k( 242) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 243) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 k( 244) = ( 0.4909091 0.4909091 0.5000000), wk = 0.0028571 k( 245) = ( 0.4818182 0.4818182 0.5000000), wk = 0.0028571 k( 246) = ( 0.4727273 0.4727273 0.5000000), wk = 0.0028571 k( 247) = ( 0.4636364 0.4636364 0.5000000), wk = 0.0028571 k( 248) = ( 0.4545455 0.4545455 0.5000000), wk = 0.0028571 k( 249) = ( 0.4454546 0.4454546 0.5000000), wk = 0.0028571 k( 250) = ( 0.4363636 0.4363636 0.5000000), wk = 0.0028571 k( 251) = ( 0.4272727 0.4272727 0.5000000), wk = 0.0028571 k( 252) = ( 0.4181818 0.4181818 0.5000000), wk = 0.0028571 k( 253) = ( 0.4090909 0.4090909 0.5000000), wk = 0.0028571 k( 254) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0028571 k( 255) = ( 0.3909091 0.3909091 0.5000000), wk = 0.0028571 k( 256) = ( 0.3818182 0.3818182 0.5000000), wk = 0.0028571 k( 257) = ( 0.3727273 0.3727273 0.5000000), wk = 0.0028571 k( 258) = ( 0.3636364 0.3636364 0.5000000), wk = 0.0028571 k( 259) = ( 0.3545454 0.3545454 0.5000000), wk = 0.0028571 k( 260) = ( 0.3454546 0.3454546 0.5000000), wk = 0.0028571 k( 261) = ( 0.3363636 0.3363636 0.5000000), wk = 0.0028571 k( 262) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0028571 k( 263) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0028571 k( 264) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0028571 k( 265) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0028571 k( 266) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0028571 k( 267) = ( 0.2818182 0.2818182 0.5000000), wk = 0.0028571 k( 268) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0028571 k( 269) = ( 0.2636364 0.2636364 0.5000000), wk = 0.0028571 k( 270) = ( 0.2545455 0.2545455 0.5000000), wk = 0.0028571 k( 271) = ( 0.2454545 0.2454545 0.5000000), wk = 0.0028571 k( 272) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0028571 k( 273) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0028571 k( 274) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0028571 k( 275) = ( 0.2090909 0.2090909 0.5000000), wk = 0.0028571 k( 276) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0028571 k( 277) = ( 0.1909091 0.1909091 0.5000000), wk = 0.0028571 k( 278) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0028571 k( 279) = ( 0.1727273 0.1727273 0.5000000), wk = 0.0028571 k( 280) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0028571 k( 281) = ( 0.1545455 0.1545455 0.5000000), wk = 0.0028571 k( 282) = ( 0.1454545 0.1454545 0.5000000), wk = 0.0028571 k( 283) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0028571 k( 284) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0028571 k( 285) = ( 0.1181818 0.1181818 0.5000000), wk = 0.0028571 k( 286) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0028571 k( 287) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0028571 k( 288) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0028571 k( 289) = ( 0.0818182 0.0818182 0.5000000), wk = 0.0028571 k( 290) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0028571 k( 291) = ( 0.0636364 0.0636364 0.5000000), wk = 0.0028571 k( 292) = ( 0.0545455 0.0545455 0.5000000), wk = 0.0028571 k( 293) = ( 0.0454546 0.0454546 0.5000000), wk = 0.0028571 k( 294) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0028571 k( 295) = ( 0.0272727 0.0272727 0.5000000), wk = 0.0028571 k( 296) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0028571 k( 297) = ( 0.0090909 0.0090909 0.5000000), wk = 0.0028571 k( 298) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028571 k( 299) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028571 k( 300) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0028571 k( 301) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0028571 k( 302) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0028571 k( 303) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0028571 k( 304) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0028571 k( 305) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0028571 k( 306) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0028571 k( 307) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0028571 k( 308) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0028571 k( 309) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0028571 k( 310) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0028571 k( 311) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0028571 k( 312) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0028571 k( 313) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0028571 k( 314) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0028571 k( 315) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0028571 k( 316) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0028571 k( 317) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0028571 k( 318) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0028571 k( 319) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0028571 k( 320) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0028571 k( 321) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0028571 k( 322) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0028571 k( 323) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0028571 k( 324) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028571 k( 325) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028571 k( 326) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0028571 k( 327) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0028571 k( 328) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0028571 k( 329) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0028571 k( 330) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0028571 k( 331) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0028571 k( 332) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0028571 k( 333) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0028571 k( 334) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0028571 k( 335) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0028571 k( 336) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0028571 k( 337) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0028571 k( 338) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0028571 k( 339) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0028571 k( 340) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0028571 k( 341) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0028571 k( 342) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0028571 k( 343) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0028571 k( 344) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0028571 k( 345) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0028571 k( 346) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0028571 k( 347) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0028571 k( 348) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0028571 k( 349) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0028571 k( 350) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028571 Dense grid: 71339 G-vectors FFT dimensions: ( 45, 45, 72) Smooth grid: 53519 G-vectors FFT dimensions: ( 45, 45, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 388, 58) NL pseudopotentials 0.37 Mb ( 194, 124) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.02 Mb ( 1985) G-vector shells 0.01 Mb ( 931) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.37 Mb ( 388, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.22 Mb ( 124, 2, 58) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./RbNaO.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 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.2 secs Computing kpt #: 9 total cpu time spent up to now is 7.7 secs Computing kpt #: 10 total cpu time spent up to now is 8.3 secs Computing kpt #: 11 total cpu time spent up to now is 8.9 secs Computing kpt #: 12 total cpu time spent up to now is 9.5 secs Computing kpt #: 13 total cpu time spent up to now is 10.2 secs Computing kpt #: 14 total cpu time spent up to now is 10.8 secs Computing kpt #: 15 total cpu time spent up to now is 11.4 secs Computing kpt #: 16 total cpu time spent up to now is 12.0 secs Computing kpt #: 17 total cpu time spent up to now is 12.5 secs Computing kpt #: 18 total cpu time spent up to now is 13.1 secs Computing kpt #: 19 total cpu time spent up to now is 13.7 secs Computing kpt #: 20 total cpu time spent up to now is 14.3 secs Computing kpt #: 21 total cpu time spent up to now is 14.8 secs Computing kpt #: 22 total cpu time spent up to now is 15.4 secs Computing kpt #: 23 total cpu time spent up to now is 16.0 secs Computing kpt #: 24 total cpu time spent up to now is 16.6 secs Computing kpt #: 25 total cpu time spent up to now is 17.2 secs Computing kpt #: 26 total cpu time spent up to now is 17.8 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 19.0 secs Computing kpt #: 29 total cpu time spent up to now is 19.6 secs Computing kpt #: 30 total cpu time spent up to now is 20.3 secs Computing kpt #: 31 total cpu time spent up to now is 20.9 secs Computing kpt #: 32 total cpu time spent up to now is 21.5 secs Computing kpt #: 33 total cpu time spent up to now is 22.1 secs Computing kpt #: 34 total cpu time spent up to now is 22.8 secs Computing kpt #: 35 total cpu time spent up to now is 23.4 secs Computing kpt #: 36 total cpu time spent up to now is 24.0 secs Computing kpt #: 37 total cpu time spent up to now is 24.7 secs Computing kpt #: 38 total cpu time spent up to now is 25.3 secs Computing kpt #: 39 total cpu time spent up to now is 26.0 secs Computing kpt #: 40 total cpu time spent up to now is 26.6 secs Computing kpt #: 41 total cpu time spent up to now is 27.2 secs Computing kpt #: 42 total cpu time spent up to now is 27.9 secs Computing kpt #: 43 total cpu time spent up to now is 28.6 secs Computing kpt #: 44 total cpu time spent up to now is 29.3 secs Computing kpt #: 45 total cpu time spent up to now is 30.1 secs Computing kpt #: 46 total cpu time spent up to now is 30.7 secs Computing kpt #: 47 total cpu time spent up to now is 31.5 secs Computing kpt #: 48 total cpu time spent up to now is 32.1 secs Computing kpt #: 49 total cpu time spent up to now is 32.8 secs Computing kpt #: 50 total cpu time spent up to now is 33.5 secs Computing kpt #: 51 total cpu time spent up to now is 34.2 secs Computing kpt #: 52 total cpu time spent up to now is 34.8 secs Computing kpt #: 53 total cpu time spent up to now is 35.5 secs Computing kpt #: 54 total cpu time spent up to now is 36.1 secs Computing kpt #: 55 total cpu time spent up to now is 36.8 secs Computing kpt #: 56 total cpu time spent up to now is 37.4 secs Computing kpt #: 57 total cpu time spent up to now is 38.0 secs Computing kpt #: 58 total cpu time spent up to now is 38.7 secs Computing kpt #: 59 total cpu time spent up to now is 39.3 secs Computing kpt #: 60 total cpu time spent up to now is 40.0 secs Computing kpt #: 61 total cpu time spent up to now is 40.6 secs Computing kpt #: 62 total cpu time spent up to now is 41.3 secs Computing kpt #: 63 total cpu time spent up to now is 41.9 secs Computing kpt #: 64 total cpu time spent up to now is 42.6 secs Computing kpt #: 65 total cpu time spent up to now is 43.2 secs Computing kpt #: 66 total cpu time spent up to now is 44.0 secs Computing kpt #: 67 total cpu time spent up to now is 44.7 secs Computing kpt #: 68 total cpu time spent up to now is 45.4 secs Computing kpt #: 69 total cpu time spent up to now is 46.0 secs Computing kpt #: 70 total cpu time spent up to now is 46.7 secs Computing kpt #: 71 total cpu time spent up to now is 47.3 secs Computing kpt #: 72 total cpu time spent up to now is 48.1 secs Computing kpt #: 73 total cpu time spent up to now is 48.8 secs Computing kpt #: 74 total cpu time spent up to now is 49.6 secs Computing kpt #: 75 total cpu time spent up to now is 50.3 secs Computing kpt #: 76 total cpu time spent up to now is 51.1 secs Computing kpt #: 77 total cpu time spent up to now is 52.0 secs Computing kpt #: 78 total cpu time spent up to now is 53.0 secs Computing kpt #: 79 total cpu time spent up to now is 54.0 secs Computing kpt #: 80 total cpu time spent up to now is 54.8 secs Computing kpt #: 81 total cpu time spent up to now is 55.5 secs Computing kpt #: 82 total cpu time spent up to now is 56.7 secs Computing kpt #: 83 total cpu time spent up to now is 57.5 secs Computing kpt #: 84 total cpu time spent up to now is 58.3 secs Computing kpt #: 85 total cpu time spent up to now is 59.1 secs Computing kpt #: 86 total cpu time spent up to now is 59.8 secs Computing kpt #: 87 total cpu time spent up to now is 60.5 secs Computing kpt #: 88 total cpu time spent up to now is 61.3 secs Computing kpt #: 89 total cpu time spent up to now is 62.0 secs Computing kpt #: 90 total cpu time spent up to now is 62.7 secs Computing kpt #: 91 total cpu time spent up to now is 63.3 secs Computing kpt #: 92 total cpu time spent up to now is 64.0 secs Computing kpt #: 93 total cpu time spent up to now is 64.6 secs Computing kpt #: 94 total cpu time spent up to now is 65.2 secs Computing kpt #: 95 total cpu time spent up to now is 65.9 secs Computing kpt #: 96 total cpu time spent up to now is 66.5 secs Computing kpt #: 97 total cpu time spent up to now is 67.1 secs Computing kpt #: 98 total cpu time spent up to now is 67.7 secs Computing kpt #: 99 total cpu time spent up to now is 68.4 secs Computing kpt #: 100 total cpu time spent up to now is 69.0 secs Computing kpt #: 101 total cpu time spent up to now is 69.6 secs Computing kpt #: 102 total cpu time spent up to now is 70.2 secs Computing kpt #: 103 total cpu time spent up to now is 70.8 secs Computing kpt #: 104 total cpu time spent up to now is 71.4 secs Computing kpt #: 105 total cpu time spent up to now is 72.0 secs Computing kpt #: 106 total cpu time spent up to now is 72.6 secs Computing kpt #: 107 total cpu time spent up to now is 73.2 secs Computing kpt #: 108 total cpu time spent up to now is 73.8 secs Computing kpt #: 109 total cpu time spent up to now is 74.4 secs Computing kpt #: 110 total cpu time spent up to now is 75.0 secs Computing kpt #: 111 total cpu time spent up to now is 75.6 secs Computing kpt #: 112 total cpu time spent up to now is 76.2 secs Computing kpt #: 113 total cpu time spent up to now is 76.8 secs Computing kpt #: 114 total cpu time spent up to now is 77.4 secs Computing kpt #: 115 total cpu time spent up to now is 78.0 secs Computing kpt #: 116 total cpu time spent up to now is 78.6 secs Computing kpt #: 117 total cpu time spent up to now is 79.2 secs Computing kpt #: 118 total cpu time spent up to now is 79.8 secs Computing kpt #: 119 total cpu time spent up to now is 80.4 secs Computing kpt #: 120 total cpu time spent up to now is 81.0 secs Computing kpt #: 121 total cpu time spent up to now is 81.6 secs Computing kpt #: 122 total cpu time spent up to now is 82.2 secs Computing kpt #: 123 total cpu time spent up to now is 82.9 secs Computing kpt #: 124 total cpu time spent up to now is 83.5 secs Computing kpt #: 125 total cpu time spent up to now is 84.1 secs Computing kpt #: 126 total cpu time spent up to now is 84.7 secs Computing kpt #: 127 total cpu time spent up to now is 85.3 secs Computing kpt #: 128 total cpu time spent up to now is 85.9 secs Computing kpt #: 129 total cpu time spent up to now is 86.4 secs Computing kpt #: 130 total cpu time spent up to now is 87.1 secs Computing kpt #: 131 total cpu time spent up to now is 87.7 secs Computing kpt #: 132 total cpu time spent up to now is 88.4 secs Computing kpt #: 133 total cpu time spent up to now is 89.1 secs Computing kpt #: 134 total cpu time spent up to now is 89.7 secs Computing kpt #: 135 total cpu time spent up to now is 90.3 secs Computing kpt #: 136 total cpu time spent up to now is 90.9 secs Computing kpt #: 137 total cpu time spent up to now is 91.5 secs Computing kpt #: 138 total cpu time spent up to now is 92.1 secs Computing kpt #: 139 total cpu time spent up to now is 92.8 secs Computing kpt #: 140 total cpu time spent up to now is 93.4 secs Computing kpt #: 141 total cpu time spent up to now is 94.1 secs Computing kpt #: 142 total cpu time spent up to now is 94.7 secs Computing kpt #: 143 total cpu time spent up to now is 95.3 secs Computing kpt #: 144 total cpu time spent up to now is 96.0 secs Computing kpt #: 145 total cpu time spent up to now is 96.6 secs Computing kpt #: 146 total cpu time spent up to now is 97.2 secs Computing kpt #: 147 total cpu time spent up to now is 97.8 secs Computing kpt #: 148 total cpu time spent up to now is 98.4 secs Computing kpt #: 149 total cpu time spent up to now is 99.0 secs Computing kpt #: 150 total cpu time spent up to now is 99.7 secs Computing kpt #: 151 total cpu time spent up to now is 100.5 secs Computing kpt #: 152 total cpu time spent up to now is 101.3 secs Computing kpt #: 153 total cpu time spent up to now is 101.9 secs Computing kpt #: 154 total cpu time spent up to now is 102.4 secs Computing kpt #: 155 total cpu time spent up to now is 103.0 secs Computing kpt #: 156 total cpu time spent up to now is 103.6 secs Computing kpt #: 157 total cpu time spent up to now is 104.2 secs Computing kpt #: 158 total cpu time spent up to now is 104.8 secs Computing kpt #: 159 total cpu time spent up to now is 105.5 secs Computing kpt #: 160 total cpu time spent up to now is 106.1 secs Computing kpt #: 161 total cpu time spent up to now is 106.7 secs Computing kpt #: 162 total cpu time spent up to now is 107.3 secs Computing kpt #: 163 total cpu time spent up to now is 107.9 secs Computing kpt #: 164 total cpu time spent up to now is 108.4 secs Computing kpt #: 165 total cpu time spent up to now is 109.0 secs Computing kpt #: 166 total cpu time spent up to now is 109.6 secs Computing kpt #: 167 total cpu time spent up to now is 110.2 secs Computing kpt #: 168 total cpu time spent up to now is 110.8 secs Computing kpt #: 169 total cpu time spent up to now is 111.4 secs Computing kpt #: 170 total cpu time spent up to now is 111.9 secs Computing kpt #: 171 total cpu time spent up to now is 112.6 secs Computing kpt #: 172 total cpu time spent up to now is 113.1 secs Computing kpt #: 173 total cpu time spent up to now is 113.7 secs Computing kpt #: 174 total cpu time spent up to now is 114.3 secs Computing kpt #: 175 total cpu time spent up to now is 114.9 secs Computing kpt #: 176 total cpu time spent up to now is 115.5 secs Computing kpt #: 177 total cpu time spent up to now is 116.1 secs Computing kpt #: 178 total cpu time spent up to now is 116.7 secs Computing kpt #: 179 total cpu time spent up to now is 117.4 secs Computing kpt #: 180 total cpu time spent up to now is 118.0 secs Computing kpt #: 181 total cpu time spent up to now is 118.6 secs Computing kpt #: 182 total cpu time spent up to now is 119.2 secs Computing kpt #: 183 total cpu time spent up to now is 119.9 secs Computing kpt #: 184 total cpu time spent up to now is 120.5 secs Computing kpt #: 185 total cpu time spent up to now is 121.1 secs Computing kpt #: 186 total cpu time spent up to now is 121.8 secs Computing kpt #: 187 total cpu time spent up to now is 122.4 secs Computing kpt #: 188 total cpu time spent up to now is 123.0 secs Computing kpt #: 189 total cpu time spent up to now is 123.7 secs Computing kpt #: 190 total cpu time spent up to now is 124.3 secs Computing kpt #: 191 total cpu time spent up to now is 124.9 secs Computing kpt #: 192 total cpu time spent up to now is 125.6 secs Computing kpt #: 193 total cpu time spent up to now is 126.2 secs Computing kpt #: 194 total cpu time spent up to now is 126.8 secs Computing kpt #: 195 total cpu time spent up to now is 127.5 secs Computing kpt #: 196 total cpu time spent up to now is 128.1 secs Computing kpt #: 197 total cpu time spent up to now is 128.8 secs Computing kpt #: 198 total cpu time spent up to now is 129.4 secs Computing kpt #: 199 total cpu time spent up to now is 130.1 secs Computing kpt #: 200 total cpu time spent up to now is 130.7 secs Computing kpt #: 201 total cpu time spent up to now is 131.4 secs Computing kpt #: 202 total cpu time spent up to now is 132.0 secs Computing kpt #: 203 total cpu time spent up to now is 132.6 secs Computing kpt #: 204 total cpu time spent up to now is 133.2 secs Computing kpt #: 205 total cpu time spent up to now is 133.9 secs Computing kpt #: 206 total cpu time spent up to now is 134.7 secs Computing kpt #: 207 total cpu time spent up to now is 135.5 secs Computing kpt #: 208 total cpu time spent up to now is 136.1 secs Computing kpt #: 209 total cpu time spent up to now is 136.8 secs Computing kpt #: 210 total cpu time spent up to now is 137.5 secs Computing kpt #: 211 total cpu time spent up to now is 138.1 secs Computing kpt #: 212 total cpu time spent up to now is 138.8 secs Computing kpt #: 213 total cpu time spent up to now is 139.4 secs Computing kpt #: 214 total cpu time spent up to now is 140.1 secs Computing kpt #: 215 total cpu time spent up to now is 140.7 secs Computing kpt #: 216 total cpu time spent up to now is 141.4 secs Computing kpt #: 217 total cpu time spent up to now is 142.0 secs Computing kpt #: 218 total cpu time spent up to now is 142.7 secs Computing kpt #: 219 total cpu time spent up to now is 143.3 secs Computing kpt #: 220 total cpu time spent up to now is 144.0 secs Computing kpt #: 221 total cpu time spent up to now is 144.6 secs Computing kpt #: 222 total cpu time spent up to now is 145.3 secs Computing kpt #: 223 total cpu time spent up to now is 146.0 secs Computing kpt #: 224 total cpu time spent up to now is 146.6 secs Computing kpt #: 225 total cpu time spent up to now is 147.2 secs Computing kpt #: 226 total cpu time spent up to now is 147.9 secs Computing kpt #: 227 total cpu time spent up to now is 148.5 secs Computing kpt #: 228 total cpu time spent up to now is 149.2 secs Computing kpt #: 229 total cpu time spent up to now is 149.9 secs Computing kpt #: 230 total cpu time spent up to now is 150.5 secs Computing kpt #: 231 total cpu time spent up to now is 151.1 secs Computing kpt #: 232 total cpu time spent up to now is 151.8 secs Computing kpt #: 233 total cpu time spent up to now is 152.4 secs Computing kpt #: 234 total cpu time spent up to now is 153.1 secs Computing kpt #: 235 total cpu time spent up to now is 153.7 secs Computing kpt #: 236 total cpu time spent up to now is 154.4 secs Computing kpt #: 237 total cpu time spent up to now is 155.0 secs Computing kpt #: 238 total cpu time spent up to now is 155.7 secs Computing kpt #: 239 total cpu time spent up to now is 156.4 secs Computing kpt #: 240 total cpu time spent up to now is 157.0 secs Computing kpt #: 241 total cpu time spent up to now is 157.8 secs Computing kpt #: 242 total cpu time spent up to now is 158.4 secs Computing kpt #: 243 total cpu time spent up to now is 159.0 secs Computing kpt #: 244 total cpu time spent up to now is 159.7 secs Computing kpt #: 245 total cpu time spent up to now is 160.3 secs Computing kpt #: 246 total cpu time spent up to now is 161.0 secs Computing kpt #: 247 total cpu time spent up to now is 161.6 secs Computing kpt #: 248 total cpu time spent up to now is 162.3 secs Computing kpt #: 249 total cpu time spent up to now is 162.9 secs Computing kpt #: 250 total cpu time spent up to now is 163.5 secs Computing kpt #: 251 total cpu time spent up to now is 164.1 secs Computing kpt #: 252 total cpu time spent up to now is 164.7 secs Computing kpt #: 253 total cpu time spent up to now is 165.3 secs Computing kpt #: 254 total cpu time spent up to now is 165.9 secs Computing kpt #: 255 total cpu time spent up to now is 166.6 secs Computing kpt #: 256 total cpu time spent up to now is 167.2 secs Computing kpt #: 257 total cpu time spent up to now is 167.8 secs Computing kpt #: 258 total cpu time spent up to now is 168.4 secs Computing kpt #: 259 total cpu time spent up to now is 169.0 secs Computing kpt #: 260 total cpu time spent up to now is 169.6 secs Computing kpt #: 261 total cpu time spent up to now is 170.2 secs Computing kpt #: 262 total cpu time spent up to now is 170.8 secs Computing kpt #: 263 total cpu time spent up to now is 171.5 secs Computing kpt #: 264 total cpu time spent up to now is 172.1 secs Computing kpt #: 265 total cpu time spent up to now is 172.7 secs Computing kpt #: 266 total cpu time spent up to now is 173.4 secs Computing kpt #: 267 total cpu time spent up to now is 174.0 secs Computing kpt #: 268 total cpu time spent up to now is 174.6 secs Computing kpt #: 269 total cpu time spent up to now is 175.2 secs Computing kpt #: 270 total cpu time spent up to now is 175.8 secs Computing kpt #: 271 total cpu time spent up to now is 176.5 secs Computing kpt #: 272 total cpu time spent up to now is 177.1 secs Computing kpt #: 273 total cpu time spent up to now is 177.7 secs Computing kpt #: 274 total cpu time spent up to now is 178.4 secs Computing kpt #: 275 total cpu time spent up to now is 179.0 secs Computing kpt #: 276 total cpu time spent up to now is 179.6 secs Computing kpt #: 277 total cpu time spent up to now is 180.3 secs Computing kpt #: 278 total cpu time spent up to now is 180.9 secs Computing kpt #: 279 total cpu time spent up to now is 181.5 secs Computing kpt #: 280 total cpu time spent up to now is 182.1 secs Computing kpt #: 281 total cpu time spent up to now is 182.7 secs Computing kpt #: 282 total cpu time spent up to now is 183.3 secs Computing kpt #: 283 total cpu time spent up to now is 183.9 secs Computing kpt #: 284 total cpu time spent up to now is 184.4 secs Computing kpt #: 285 total cpu time spent up to now is 185.0 secs Computing kpt #: 286 total cpu time spent up to now is 185.6 secs Computing kpt #: 287 total cpu time spent up to now is 186.2 secs Computing kpt #: 288 total cpu time spent up to now is 186.8 secs Computing kpt #: 289 total cpu time spent up to now is 187.4 secs Computing kpt #: 290 total cpu time spent up to now is 188.0 secs Computing kpt #: 291 total cpu time spent up to now is 188.6 secs Computing kpt #: 292 total cpu time spent up to now is 189.1 secs Computing kpt #: 293 total cpu time spent up to now is 189.7 secs Computing kpt #: 294 total cpu time spent up to now is 190.3 secs Computing kpt #: 295 total cpu time spent up to now is 190.9 secs Computing kpt #: 296 total cpu time spent up to now is 191.5 secs Computing kpt #: 297 total cpu time spent up to now is 192.1 secs Computing kpt #: 298 total cpu time spent up to now is 192.6 secs Computing kpt #: 299 total cpu time spent up to now is 193.3 secs Computing kpt #: 300 total cpu time spent up to now is 193.8 secs Computing kpt #: 301 total cpu time spent up to now is 194.5 secs Computing kpt #: 302 total cpu time spent up to now is 195.1 secs Computing kpt #: 303 total cpu time spent up to now is 195.7 secs Computing kpt #: 304 total cpu time spent up to now is 196.3 secs Computing kpt #: 305 total cpu time spent up to now is 196.9 secs Computing kpt #: 306 total cpu time spent up to now is 197.5 secs Computing kpt #: 307 total cpu time spent up to now is 198.1 secs Computing kpt #: 308 total cpu time spent up to now is 198.7 secs Computing kpt #: 309 total cpu time spent up to now is 199.3 secs Computing kpt #: 310 total cpu time spent up to now is 199.9 secs Computing kpt #: 311 total cpu time spent up to now is 200.5 secs Computing kpt #: 312 total cpu time spent up to now is 201.1 secs Computing kpt #: 313 total cpu time spent up to now is 201.8 secs Computing kpt #: 314 total cpu time spent up to now is 202.4 secs Computing kpt #: 315 total cpu time spent up to now is 203.0 secs Computing kpt #: 316 total cpu time spent up to now is 203.6 secs Computing kpt #: 317 total cpu time spent up to now is 204.3 secs Computing kpt #: 318 total cpu time spent up to now is 204.9 secs Computing kpt #: 319 total cpu time spent up to now is 205.5 secs Computing kpt #: 320 total cpu time spent up to now is 206.2 secs Computing kpt #: 321 total cpu time spent up to now is 206.8 secs Computing kpt #: 322 total cpu time spent up to now is 207.4 secs Computing kpt #: 323 total cpu time spent up to now is 208.1 secs Computing kpt #: 324 total cpu time spent up to now is 208.7 secs Computing kpt #: 325 total cpu time spent up to now is 209.4 secs Computing kpt #: 326 total cpu time spent up to now is 210.1 secs Computing kpt #: 327 total cpu time spent up to now is 210.9 secs Computing kpt #: 328 total cpu time spent up to now is 211.6 secs Computing kpt #: 329 total cpu time spent up to now is 212.3 secs Computing kpt #: 330 total cpu time spent up to now is 213.0 secs Computing kpt #: 331 total cpu time spent up to now is 213.8 secs Computing kpt #: 332 total cpu time spent up to now is 214.5 secs Computing kpt #: 333 total cpu time spent up to now is 215.2 secs Computing kpt #: 334 total cpu time spent up to now is 216.0 secs Computing kpt #: 335 total cpu time spent up to now is 216.7 secs Computing kpt #: 336 total cpu time spent up to now is 217.3 secs Computing kpt #: 337 total cpu time spent up to now is 218.1 secs Computing kpt #: 338 total cpu time spent up to now is 218.7 secs Computing kpt #: 339 total cpu time spent up to now is 219.4 secs Computing kpt #: 340 total cpu time spent up to now is 220.0 secs Computing kpt #: 341 total cpu time spent up to now is 220.7 secs Computing kpt #: 342 total cpu time spent up to now is 221.3 secs Computing kpt #: 343 total cpu time spent up to now is 222.0 secs Computing kpt #: 344 total cpu time spent up to now is 222.6 secs Computing kpt #: 345 total cpu time spent up to now is 223.3 secs Computing kpt #: 346 total cpu time spent up to now is 223.9 secs Computing kpt #: 347 total cpu time spent up to now is 224.6 secs Computing kpt #: 348 total cpu time spent up to now is 225.2 secs Computing kpt #: 349 total cpu time spent up to now is 225.8 secs Computing kpt #: 350 total cpu time spent up to now is 226.5 secs ethr = 2.08E-08, avg # of iterations = 19.4 total cpu time spent up to now is 226.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6691 PWs) bands (ev): -44.3403 -44.3403 -44.3024 -44.3024 -20.8534 -20.8534 -20.5651 -20.5651 -16.4581 -16.4581 -16.3859 -16.3859 -16.3045 -16.3045 -16.2311 -16.2311 -16.1860 -16.1860 -16.1116 -16.1116 -8.6957 -8.6957 -8.6181 -8.6181 -5.6825 -5.6825 -5.0422 -5.0422 -4.8842 -4.8842 -4.7903 -4.7903 -4.1883 -4.1883 -4.0587 -4.0587 5.1044 5.1044 5.6667 5.6667 5.6869 5.6869 5.7173 5.7173 5.8021 5.8021 5.8270 5.8270 8.1945 8.1945 9.2015 9.2015 11.9007 11.9007 12.2179 12.2179 12.4959 12.4959 k = 0.0000 0.0128-0.0000 ( 6699 PWs) bands (ev): -44.3403 -44.3403 -44.3024 -44.3024 -20.8533 -20.8533 -20.5652 -20.5652 -16.4580 -16.4580 -16.3860 -16.3860 -16.3044 -16.3044 -16.2310 -16.2310 -16.1861 -16.1861 -16.1118 -16.1118 -8.6957 -8.6957 -8.6181 -8.6181 -5.6825 -5.6825 -5.0436 -5.0436 -4.8832 -4.8832 -4.7901 -4.7901 -4.1884 -4.1884 -4.0589 -4.0589 5.1051 5.1051 5.6617 5.6617 5.6897 5.6897 5.7184 5.7184 5.8006 5.8006 5.8254 5.8254 8.1992 8.1992 9.2041 9.2041 11.8988 11.8988 12.2163 12.2163 12.4974 12.4974 k = 0.0000 0.0256-0.0000 ( 6702 PWs) bands (ev): -44.3402 -44.3402 -44.3025 -44.3025 -20.8528 -20.8528 -20.5654 -20.5654 -16.4579 -16.4579 -16.3859 -16.3859 -16.3042 -16.3042 -16.2311 -16.2311 -16.1863 -16.1863 -16.1120 -16.1120 -8.6956 -8.6956 -8.6184 -8.6184 -5.6823 -5.6823 -5.0478 -5.0478 -4.8803 -4.8803 -4.7895 -4.7895 -4.1888 -4.1888 -4.0596 -4.0596 5.1069 5.1069 5.6509 5.6509 5.6937 5.6937 5.7220 5.7220 5.7957 5.7957 5.8215 5.8215 8.2135 8.2135 9.2119 9.2119 11.8932 11.8932 12.2112 12.2112 12.5019 12.5019 k = 0.0000 0.0385-0.0000 ( 6700 PWs) bands (ev): -44.3401 -44.3401 -44.3026 -44.3026 -20.8521 -20.8521 -20.5658 -20.5658 -16.4577 -16.4577 -16.3859 -16.3859 -16.3040 -16.3040 -16.2312 -16.2312 -16.1866 -16.1866 -16.1125 -16.1125 -8.6955 -8.6955 -8.6188 -8.6188 -5.6822 -5.6822 -5.0545 -5.0545 -4.8757 -4.8757 -4.7885 -4.7885 -4.1895 -4.1895 -4.0607 -4.0607 5.1100 5.1100 5.6377 5.6377 5.6960 5.6960 5.7274 5.7274 5.7862 5.7862 5.8165 5.8165 8.2371 8.2371 9.2248 9.2248 11.8837 11.8837 12.2021 12.2021 12.5102 12.5102 k = 0.0000 0.0513-0.0000 ( 6704 PWs) bands (ev): -44.3400 -44.3400 -44.3027 -44.3027 -20.8510 -20.8510 -20.5663 -20.5663 -16.4574 -16.4574 -16.3859 -16.3859 -16.3035 -16.3035 -16.2313 -16.2313 -16.1870 -16.1870 -16.1131 -16.1131 -8.6954 -8.6954 -8.6194 -8.6194 -5.6819 -5.6819 -5.0633 -5.0633 -4.8700 -4.8700 -4.7871 -4.7871 -4.1904 -4.1904 -4.0623 -4.0623 5.1143 5.1143 5.6229 5.6229 5.6968 5.6968 5.7332 5.7332 5.7720 5.7720 5.8115 5.8115 8.2696 8.2696 9.2429 9.2429 11.8702 11.8702 12.1884 12.1884 12.5230 12.5230 k = 0.0000 0.0641-0.0000 ( 6710 PWs) bands (ev): -44.3399 -44.3399 -44.3028 -44.3028 -20.8496 -20.8496 -20.5670 -20.5670 -16.4570 -16.4570 -16.3859 -16.3859 -16.3030 -16.3030 -16.2314 -16.2314 -16.1876 -16.1876 -16.1140 -16.1140 -8.6952 -8.6952 -8.6201 -8.6201 -5.6815 -5.6815 -5.0737 -5.0737 -4.8634 -4.8634 -4.7853 -4.7853 -4.1915 -4.1915 -4.0644 -4.0644 5.1199 5.1199 5.6067 5.6067 5.6965 5.6965 5.7350 5.7350 5.7573 5.7573 5.8067 5.8067 8.3106 8.3106 9.2658 9.2658 11.8526 11.8526 12.1693 12.1693 12.4993 12.4993 k = 0.0000 0.0769-0.0000 ( 6698 PWs) bands (ev): -44.3397 -44.3397 -44.3030 -44.3030 -20.8480 -20.8480 -20.5679 -20.5679 -16.4565 -16.4565 -16.3858 -16.3858 -16.3023 -16.3023 -16.2315 -16.2315 -16.1883 -16.1883 -16.1150 -16.1150 -8.6949 -8.6949 -8.6210 -8.6210 -5.6811 -5.6811 -5.0854 -5.0854 -4.8564 -4.8564 -4.7831 -4.7831 -4.1929 -4.1929 -4.0669 -4.0669 5.1265 5.1265 5.5893 5.5893 5.6956 5.6956 5.7197 5.7197 5.7552 5.7552 5.8018 5.8018 8.3595 8.3595 9.2935 9.2935 11.8309 11.8309 12.1448 12.1448 12.4610 12.4610 k = 0.0000 0.0897-0.0000 ( 6694 PWs) bands (ev): -44.3395 -44.3395 -44.3032 -44.3032 -20.8460 -20.8460 -20.5689 -20.5689 -16.4559 -16.4559 -16.3858 -16.3858 -16.3014 -16.3014 -16.2316 -16.2316 -16.1891 -16.1891 -16.1162 -16.1162 -8.6947 -8.6947 -8.6220 -8.6220 -5.6805 -5.6805 -5.0983 -5.0983 -4.8491 -4.8491 -4.7803 -4.7803 -4.1945 -4.1945 -4.0698 -4.0698 5.1343 5.1343 5.5707 5.5707 5.6920 5.6920 5.6957 5.6957 5.7602 5.7602 5.7968 5.7968 8.4158 8.4158 9.3257 9.3257 11.8053 11.8053 12.1147 12.1147 12.4281 12.4281 k = 0.0000 0.1026-0.0000 ( 6682 PWs) bands (ev): -44.3393 -44.3393 -44.3034 -44.3034 -20.8438 -20.8438 -20.5700 -20.5700 -16.4552 -16.4552 -16.3857 -16.3857 -16.3004 -16.3004 -16.2318 -16.2318 -16.1900 -16.1900 -16.1176 -16.1176 -8.6944 -8.6944 -8.6232 -8.6232 -5.6799 -5.6799 -5.1119 -5.1119 -4.8418 -4.8418 -4.7772 -4.7772 -4.1964 -4.1964 -4.0731 -4.0731 5.1431 5.1431 5.5511 5.5511 5.6630 5.6630 5.6927 5.6927 5.7654 5.7654 5.7922 5.7922 8.4788 8.4788 9.3621 9.3621 11.7763 11.7763 12.0794 12.0794 12.4008 12.4008 k = 0.0000 0.1154-0.0000 ( 6690 PWs) bands (ev): -44.3390 -44.3390 -44.3036 -44.3036 -20.8412 -20.8412 -20.5713 -20.5713 -16.4544 -16.4544 -16.3857 -16.3857 -16.2994 -16.2994 -16.2320 -16.2320 -16.1911 -16.1911 -16.1192 -16.1192 -8.6940 -8.6940 -8.6245 -8.6245 -5.6791 -5.6791 -5.1262 -5.1262 -4.8346 -4.8346 -4.7735 -4.7735 -4.1986 -4.1986 -4.0769 -4.0769 5.1529 5.1529 5.5304 5.5304 5.6303 5.6303 5.6905 5.6905 5.7683 5.7683 5.7893 5.7893 8.5480 8.5480 9.4025 9.4025 11.7448 11.7448 12.0392 12.0392 12.3786 12.3786 k = 0.0000 0.1282-0.0000 ( 6682 PWs) bands (ev): -44.3387 -44.3387 -44.3039 -44.3039 -20.8384 -20.8384 -20.5728 -20.5728 -16.4536 -16.4536 -16.3857 -16.3857 -16.2982 -16.2982 -16.2322 -16.2322 -16.1922 -16.1922 -16.1209 -16.1209 -8.6937 -8.6937 -8.6259 -8.6259 -5.6783 -5.6783 -5.1410 -5.1410 -4.8276 -4.8276 -4.7694 -4.7694 -4.2009 -4.2009 -4.0810 -4.0810 5.1635 5.1635 5.5087 5.5087 5.5960 5.5960 5.6881 5.6881 5.7668 5.7668 5.7902 5.7902 8.6228 8.6228 9.4464 9.4464 11.7116 11.7116 11.9946 11.9946 12.3612 12.3612 k = 0.0000 0.1410-0.0000 ( 6670 PWs) bands (ev): -44.3384 -44.3384 -44.3042 -44.3042 -20.8354 -20.8354 -20.5744 -20.5744 -16.4527 -16.4527 -16.3856 -16.3856 -16.2969 -16.2969 -16.2324 -16.2324 -16.1934 -16.1934 -16.1227 -16.1227 -8.6933 -8.6933 -8.6275 -8.6275 -5.6773 -5.6773 -5.1562 -5.1562 -4.8208 -4.8208 -4.7649 -4.7649 -4.2035 -4.2035 -4.0855 -4.0855 5.1749 5.1749 5.4861 5.4861 5.5607 5.5607 5.6854 5.6854 5.7615 5.7615 5.7942 5.7942 8.7027 8.7027 9.4934 9.4934 11.6779 11.6779 11.9462 11.9462 12.3480 12.3480 k = 0.0000 0.1538-0.0000 ( 6666 PWs) bands (ev): -44.3380 -44.3380 -44.3045 -44.3045 -20.8321 -20.8321 -20.5762 -20.5762 -16.4516 -16.4516 -16.3857 -16.3857 -16.2955 -16.2955 -16.2327 -16.2327 -16.1948 -16.1948 -16.1248 -16.1248 -8.6930 -8.6930 -8.6291 -8.6291 -5.6761 -5.6761 -5.1717 -5.1717 -4.8143 -4.8143 -4.7599 -4.7599 -4.2063 -4.2063 -4.0904 -4.0904 5.1868 5.1868 5.4628 5.4628 5.5250 5.5250 5.6824 5.6824 5.7544 5.7544 5.7993 5.7993 8.7872 8.7872 9.5431 9.5431 11.6448 11.6448 11.8943 11.8943 12.3384 12.3384 k = 0.0000 0.1667-0.0000 ( 6664 PWs) bands (ev): -44.3377 -44.3377 -44.3049 -44.3049 -20.8285 -20.8285 -20.5782 -20.5782 -16.4506 -16.4506 -16.3857 -16.3857 -16.2939 -16.2939 -16.2329 -16.2329 -16.1962 -16.1962 -16.1270 -16.1270 -8.6926 -8.6926 -8.6309 -8.6309 -5.6749 -5.6749 -5.1875 -5.1875 -4.8080 -4.8080 -4.7547 -4.7547 -4.2093 -4.2093 -4.0956 -4.0956 5.1989 5.1989 5.4387 5.4387 5.4896 5.4896 5.6792 5.6792 5.7464 5.7464 5.8047 5.8047 8.8757 8.8757 9.5947 9.5947 11.6133 11.6133 11.8396 11.8396 12.3318 12.3318 k = 0.0000 0.1795-0.0000 ( 6678 PWs) bands (ev): -44.3373 -44.3373 -44.3053 -44.3053 -20.8247 -20.8247 -20.5803 -20.5803 -16.4494 -16.4494 -16.3857 -16.3857 -16.2923 -16.2923 -16.2332 -16.2332 -16.1977 -16.1977 -16.1294 -16.1294 -8.6922 -8.6922 -8.6328 -8.6328 -5.6735 -5.6735 -5.2034 -5.2034 -4.8018 -4.8018 -4.7493 -4.7493 -4.2126 -4.2126 -4.1012 -4.1012 5.2108 5.2108 5.4140 5.4140 5.4552 5.4552 5.6757 5.6757 5.7378 5.7378 5.8099 5.8099 8.9679 8.9679 9.6478 9.6478 11.5846 11.5846 11.7823 11.7823 12.3276 12.3276 k = 0.0000 0.1923-0.0000 ( 6680 PWs) bands (ev): -44.3368 -44.3368 -44.3057 -44.3057 -20.8206 -20.8206 -20.5826 -20.5826 -16.4482 -16.4482 -16.3858 -16.3858 -16.2905 -16.2905 -16.2335 -16.2335 -16.1993 -16.1993 -16.1319 -16.1319 -8.6918 -8.6918 -8.6348 -8.6348 -5.6719 -5.6719 -5.2194 -5.2194 -4.7958 -4.7958 -4.7436 -4.7436 -4.2159 -4.2159 -4.1071 -4.1071 5.2215 5.2215 5.3889 5.3889 5.4229 5.4229 5.6721 5.6721 5.7288 5.7288 5.8148 5.8148 9.0632 9.0632 9.7015 9.7015 11.5596 11.5596 11.7231 11.7231 12.3255 12.3255 k = 0.0000 0.2051-0.0000 ( 6680 PWs) bands (ev): -44.3364 -44.3364 -44.3061 -44.3061 -20.8164 -20.8164 -20.5851 -20.5851 -16.4469 -16.4469 -16.3859 -16.3859 -16.2886 -16.2886 -16.2338 -16.2338 -16.2010 -16.2010 -16.1345 -16.1345 -8.6915 -8.6915 -8.6369 -8.6369 -5.6701 -5.6701 -5.2355 -5.2355 -4.7898 -4.7898 -4.7379 -4.7379 -4.2195 -4.2195 -4.1132 -4.1132 5.2294 5.2294 5.3638 5.3638 5.3944 5.3944 5.6682 5.6682 5.7196 5.7196 5.8195 5.8195 9.1613 9.1613 9.7551 9.7551 11.5392 11.5392 11.6624 11.6624 12.3250 12.3250 k = 0.0000 0.2179-0.0000 ( 6688 PWs) bands (ev): -44.3359 -44.3359 -44.3066 -44.3066 -20.8119 -20.8119 -20.5877 -20.5877 -16.4455 -16.4455 -16.3860 -16.3860 -16.2867 -16.2867 -16.2341 -16.2341 -16.2027 -16.2027 -16.1373 -16.1373 -8.6911 -8.6911 -8.6390 -8.6390 -5.6682 -5.6682 -5.2516 -5.2516 -4.7838 -4.7838 -4.7322 -4.7322 -4.2231 -4.2231 -4.1197 -4.1197 5.2318 5.2318 5.3386 5.3386 5.3727 5.3727 5.6641 5.6641 5.7102 5.7102 5.8237 5.8237 9.2617 9.2617 9.8076 9.8076 11.5243 11.5243 11.6005 11.6005 12.3261 12.3261 k = 0.0000 0.2308-0.0000 ( 6684 PWs) bands (ev): -44.3354 -44.3354 -44.3071 -44.3071 -20.8072 -20.8072 -20.5905 -20.5905 -16.4441 -16.4441 -16.3861 -16.3861 -16.2846 -16.2846 -16.2344 -16.2344 -16.2044 -16.2044 -16.1402 -16.1402 -8.6908 -8.6908 -8.6412 -8.6412 -5.6660 -5.6660 -5.2676 -5.2676 -4.7778 -4.7778 -4.7265 -4.7265 -4.2269 -4.2269 -4.1263 -4.1263 5.2254 5.2254 5.3132 5.3132 5.3615 5.3615 5.6599 5.6599 5.7008 5.7008 5.8274 5.8274 9.3640 9.3640 9.8584 9.8584 11.5152 11.5152 11.5385 11.5385 12.3284 12.3284 k = 0.0000 0.2436-0.0000 ( 6680 PWs) bands (ev): -44.3349 -44.3349 -44.3076 -44.3076 -20.8023 -20.8023 -20.5935 -20.5935 -16.4426 -16.4426 -16.3863 -16.3863 -16.2824 -16.2824 -16.2347 -16.2347 -16.2061 -16.2061 -16.1431 -16.1431 -8.6904 -8.6904 -8.6434 -8.6434 -5.6636 -5.6636 -5.2836 -5.2836 -4.7718 -4.7718 -4.7209 -4.7209 -4.2308 -4.2308 -4.1332 -4.1332 5.2096 5.2096 5.2875 5.2875 5.3616 5.3616 5.6555 5.6555 5.6913 5.6913 5.8306 5.8306 9.4679 9.4679 9.9065 9.9065 11.4740 11.4740 11.5149 11.5149 12.3319 12.3319 k = 0.0000 0.2564-0.0000 ( 6680 PWs) bands (ev): -44.3343 -44.3343 -44.3081 -44.3081 -20.7973 -20.7973 -20.5966 -20.5966 -16.4410 -16.4410 -16.3865 -16.3865 -16.2801 -16.2801 -16.2349 -16.2349 -16.2079 -16.2079 -16.1462 -16.1462 -8.6901 -8.6901 -8.6457 -8.6457 -5.6610 -5.6610 -5.2994 -5.2994 -4.7656 -4.7656 -4.7154 -4.7154 -4.2347 -4.2347 -4.1404 -4.1404 5.1875 5.1875 5.2616 5.2616 5.3701 5.3701 5.6509 5.6509 5.6820 5.6820 5.8332 5.8332 9.5730 9.5730 9.9513 9.9513 11.4112 11.4112 11.5200 11.5200 12.3366 12.3366 k = 0.0000 0.2692-0.0000 ( 6686 PWs) bands (ev): -44.3337 -44.3337 -44.3087 -44.3087 -20.7921 -20.7921 -20.5999 -20.5999 -16.4394 -16.4394 -16.3869 -16.3869 -16.2777 -16.2777 -16.2352 -16.2352 -16.2098 -16.2098 -16.1494 -16.1494 -8.6898 -8.6898 -8.6480 -8.6480 -5.6581 -5.6581 -5.3151 -5.3151 -4.7594 -4.7594 -4.7100 -4.7100 -4.2387 -4.2387 -4.1476 -4.1476 5.1625 5.1625 5.2359 5.2359 5.3834 5.3834 5.6463 5.6463 5.6728 5.6728 5.8352 5.8352 9.6787 9.6787 9.9921 9.9921 11.3486 11.3486 11.5325 11.5325 12.3428 12.3428 k = 0.0000 0.2821-0.0000 ( 6676 PWs) bands (ev): -44.3332 -44.3332 -44.3093 -44.3093 -20.7867 -20.7867 -20.6034 -20.6034 -16.4376 -16.4376 -16.3872 -16.3872 -16.2752 -16.2752 -16.2354 -16.2354 -16.2116 -16.2116 -16.1527 -16.1527 -8.6895 -8.6895 -8.6503 -8.6503 -5.6549 -5.6549 -5.3305 -5.3305 -4.7532 -4.7532 -4.7048 -4.7048 -4.2426 -4.2426 -4.1551 -4.1551 5.1367 5.1367 5.2106 5.2106 5.3995 5.3995 5.6416 5.6416 5.6638 5.6638 5.8365 5.8365 9.7847 9.7847 10.0287 10.0287 11.2868 11.2868 11.5517 11.5517 12.3506 12.3506 k = 0.0000 0.2949-0.0000 ( 6698 PWs) bands (ev): -44.3326 -44.3326 -44.3099 -44.3099 -20.7812 -20.7812 -20.6070 -20.6070 -16.4360 -16.4360 -16.3876 -16.3876 -16.2727 -16.2727 -16.2357 -16.2357 -16.2134 -16.2134 -16.1561 -16.1561 -8.6892 -8.6892 -8.6526 -8.6526 -5.6514 -5.6514 -5.3458 -5.3458 -4.7469 -4.7469 -4.6999 -4.6999 -4.2465 -4.2465 -4.1626 -4.1626 5.1111 5.1111 5.1856 5.1856 5.4173 5.4173 5.6369 5.6369 5.6551 5.6551 5.8370 5.8370 9.8904 9.8904 10.0609 10.0609 11.2261 11.2261 11.5767 11.5767 12.3605 12.3605 k = 0.0000 0.3077-0.0000 ( 6700 PWs) bands (ev): -44.3319 -44.3319 -44.3105 -44.3105 -20.7756 -20.7756 -20.6108 -20.6108 -16.4341 -16.4341 -16.3881 -16.3881 -16.2700 -16.2700 -16.2359 -16.2359 -16.2152 -16.2152 -16.1596 -16.1596 -8.6889 -8.6889 -8.6548 -8.6548 -5.6477 -5.6477 -5.3609 -5.3609 -4.7405 -4.7405 -4.6951 -4.6951 -4.2503 -4.2503 -4.1702 -4.1702 5.0864 5.0864 5.1612 5.1612 5.4362 5.4362 5.6321 5.6321 5.6467 5.6467 5.8368 5.8368 9.9953 9.9953 10.0889 10.0889 11.1672 11.1672 11.6061 11.6061 12.3733 12.3733 k = 0.0000 0.3205-0.0000 ( 6692 PWs) bands (ev): -44.3313 -44.3313 -44.3111 -44.3111 -20.7699 -20.7699 -20.6148 -20.6148 -16.4323 -16.4323 -16.3886 -16.3886 -16.2673 -16.2673 -16.2360 -16.2360 -16.2169 -16.2169 -16.1631 -16.1631 -8.6886 -8.6886 -8.6571 -8.6571 -5.6436 -5.6436 -5.3757 -5.3757 -4.7341 -4.7341 -4.6906 -4.6906 -4.2540 -4.2540 -4.1779 -4.1779 5.0630 5.0630 5.1375 5.1375 5.4557 5.4557 5.6274 5.6274 5.6387 5.6387 5.8358 5.8358 10.0985 10.0985 10.1131 10.1131 11.1106 11.1106 11.6378 11.6378 12.3895 12.3895 k = 0.0000 0.3333-0.0000 ( 6696 PWs) bands (ev): -44.3306 -44.3306 -44.3117 -44.3117 -20.7641 -20.7641 -20.6189 -20.6189 -16.4304 -16.4304 -16.3893 -16.3893 -16.2645 -16.2645 -16.2361 -16.2361 -16.2187 -16.2187 -16.1667 -16.1667 -8.6883 -8.6883 -8.6593 -8.6593 -5.6392 -5.6392 -5.3902 -5.3902 -4.7277 -4.7277 -4.6864 -4.6864 -4.2575 -4.2575 -4.1855 -4.1855 5.0411 5.0411 5.1146 5.1146 5.4757 5.4757 5.6227 5.6227 5.6311 5.6311 5.8338 5.8338 10.1340 10.1340 10.1992 10.1992 11.0572 11.0572 11.6696 11.6696 12.4069 12.4069 k = 0.0000 0.3462-0.0000 ( 6696 PWs) bands (ev): -44.3300 -44.3300 -44.3124 -44.3124 -20.7582 -20.7582 -20.6232 -20.6232 -16.4285 -16.4285 -16.3900 -16.3900 -16.2616 -16.2616 -16.2361 -16.2361 -16.2203 -16.2203 -16.1704 -16.1704 -8.6880 -8.6880 -8.6615 -8.6615 -5.6344 -5.6344 -5.4044 -5.4044 -4.7214 -4.7214 -4.6825 -4.6825 -4.2607 -4.2607 -4.1932 -4.1932 5.0208 5.0208 5.0925 5.0925 5.4960 5.4960 5.6182 5.6182 5.6241 5.6241 5.8310 5.8310 10.1524 10.1524 10.2957 10.2957 11.0085 11.0085 11.6988 11.6988 12.4082 12.4082 k = 0.0000 0.3590-0.0000 ( 6696 PWs) bands (ev): -44.3293 -44.3293 -44.3131 -44.3131 -20.7522 -20.7522 -20.6276 -20.6276 -16.4266 -16.4266 -16.3908 -16.3908 -16.2588 -16.2588 -16.2361 -16.2361 -16.2219 -16.2219 -16.1741 -16.1741 -8.6877 -8.6877 -8.6636 -8.6636 -5.6293 -5.6293 -5.4183 -5.4183 -4.7152 -4.7152 -4.6789 -4.6789 -4.2637 -4.2637 -4.2007 -4.2007 5.0024 5.0024 5.0715 5.0715 5.5163 5.5163 5.6137 5.6137 5.6175 5.6175 5.8272 5.8272 10.1688 10.1688 10.3855 10.3855 10.9666 10.9666 11.7230 11.7230 12.4068 12.4068 k = 0.0000 0.3718-0.0000 ( 6700 PWs) bands (ev): -44.3286 -44.3286 -44.3138 -44.3138 -20.7461 -20.7461 -20.6322 -20.6322 -16.4246 -16.4246 -16.3917 -16.3917 -16.2560 -16.2560 -16.2360 -16.2360 -16.2234 -16.2234 -16.1778 -16.1778 -8.6873 -8.6873 -8.6656 -8.6656 -5.6238 -5.6238 -5.4319 -5.4319 -4.7092 -4.7092 -4.6756 -4.6756 -4.2663 -4.2663 -4.2081 -4.2081 4.9859 4.9859 5.0514 5.0514 5.5365 5.5365 5.6095 5.6095 5.6115 5.6115 5.8224 5.8224 10.1841 10.1841 10.4644 10.4644 10.9359 10.9359 11.7401 11.7401 12.4077 12.4077 k = 0.0000 0.3846-0.0000 ( 6702 PWs) bands (ev): -44.3279 -44.3279 -44.3145 -44.3145 -20.7401 -20.7401 -20.6370 -20.6370 -16.4226 -16.4226 -16.3927 -16.3927 -16.2531 -16.2531 -16.2358 -16.2358 -16.2247 -16.2247 -16.1815 -16.1815 -8.6869 -8.6869 -8.6676 -8.6676 -5.6180 -5.6180 -5.4451 -5.4451 -4.7033 -4.7033 -4.6727 -4.6727 -4.2685 -4.2685 -4.2154 -4.2154 4.9712 4.9712 5.0326 5.0326 5.5565 5.5565 5.6053 5.6053 5.6064 5.6064 5.8167 5.8167 10.1988 10.1988 10.5248 10.5248 10.9234 10.9234 11.7487 11.7487 12.4110 12.4110 k = 0.0000 0.3974-0.0000 ( 6708 PWs) bands (ev): -44.3271 -44.3271 -44.3152 -44.3152 -20.7339 -20.7339 -20.6419 -20.6419 -16.4207 -16.4207 -16.3938 -16.3938 -16.2504 -16.2504 -16.2355 -16.2355 -16.2259 -16.2259 -16.1853 -16.1853 -8.6865 -8.6865 -8.6695 -8.6695 -5.6118 -5.6118 -5.4580 -5.4580 -4.6977 -4.6977 -4.6702 -4.6702 -4.2704 -4.2704 -4.2224 -4.2224 4.9586 4.9586 5.0150 5.0150 5.5758 5.5758 5.6008 5.6008 5.6027 5.6027 5.8099 5.8099 10.2135 10.2135 10.5586 10.5586 10.9373 10.9373 11.7482 11.7482 12.4170 12.4170 k = 0.0000 0.4103-0.0000 ( 6708 PWs) bands (ev): -44.3264 -44.3264 -44.3159 -44.3159 -20.7278 -20.7278 -20.6469 -20.6469 -16.4187 -16.4187 -16.3949 -16.3949 -16.2478 -16.2478 -16.2352 -16.2352 -16.2268 -16.2268 -16.1891 -16.1891 -8.6861 -8.6861 -8.6712 -8.6712 -5.6051 -5.6051 -5.4705 -5.4705 -4.6924 -4.6924 -4.6681 -4.6681 -4.2717 -4.2717 -4.2292 -4.2292 4.9479 4.9479 4.9988 4.9988 5.5913 5.5913 5.5967 5.5967 5.6032 5.6032 5.8022 5.8022 10.2287 10.2287 10.5643 10.5643 10.9787 10.9787 11.7385 11.7385 12.4256 12.4256 k = 0.0000 0.4231-0.0000 ( 6708 PWs) bands (ev): -44.3257 -44.3257 -44.3166 -44.3166 -20.7217 -20.7217 -20.6521 -20.6521 -16.4167 -16.4167 -16.3962 -16.3962 -16.2455 -16.2455 -16.2348 -16.2348 -16.2272 -16.2272 -16.1929 -16.1929 -8.6856 -8.6856 -8.6729 -8.6729 -5.5981 -5.5981 -5.4827 -5.4827 -4.6875 -4.6875 -4.6664 -4.6664 -4.2725 -4.2725 -4.2356 -4.2356 4.9392 4.9392 4.9839 4.9839 5.5923 5.5923 5.5935 5.5935 5.6178 5.6178 5.7934 5.7934 10.2449 10.2449 10.5501 10.5501 11.0392 11.0392 11.7201 11.7201 12.4368 12.4368 k = 0.0000 0.4359-0.0000 ( 6708 PWs) bands (ev): -44.3249 -44.3249 -44.3174 -44.3174 -20.7156 -20.7156 -20.6574 -20.6574 -16.4148 -16.4148 -16.3975 -16.3975 -16.2435 -16.2435 -16.2347 -16.2347 -16.2268 -16.2268 -16.1966 -16.1966 -8.6850 -8.6850 -8.6745 -8.6745 -5.5907 -5.5907 -5.4945 -5.4945 -4.6829 -4.6829 -4.6652 -4.6652 -4.2727 -4.2727 -4.2417 -4.2417 4.9325 4.9325 4.9706 4.9706 5.5897 5.5897 5.5910 5.5910 5.6359 5.6359 5.7836 5.7836 10.2624 10.2624 10.5254 10.5254 11.1091 11.1091 11.6935 11.6935 12.4505 12.4505 k = 0.0000 0.4487-0.0000 ( 6706 PWs) bands (ev): -44.3242 -44.3242 -44.3181 -44.3181 -20.7095 -20.7095 -20.6628 -20.6628 -16.4128 -16.4128 -16.3990 -16.3990 -16.2418 -16.2418 -16.2349 -16.2349 -16.2256 -16.2256 -16.2003 -16.2003 -8.6844 -8.6844 -8.6760 -8.6760 -5.5829 -5.5829 -5.5059 -5.5059 -4.6787 -4.6787 -4.6646 -4.6646 -4.2724 -4.2724 -4.2474 -4.2474 4.9278 4.9278 4.9588 4.9588 5.5873 5.5873 5.5887 5.5887 5.6539 5.6539 5.7728 5.7728 10.2814 10.2814 10.4960 10.4960 11.1824 11.1824 11.6593 11.6593 12.4668 12.4668 k = 0.0000 0.4615-0.0000 ( 6708 PWs) bands (ev): -44.3234 -44.3234 -44.3189 -44.3189 -20.7034 -20.7034 -20.6683 -20.6683 -16.4109 -16.4109 -16.4005 -16.4005 -16.2405 -16.2405 -16.2354 -16.2354 -16.2235 -16.2235 -16.2040 -16.2040 -8.6836 -8.6836 -8.6774 -8.6774 -5.5747 -5.5747 -5.5169 -5.5169 -4.6751 -4.6751 -4.6644 -4.6644 -4.2714 -4.2714 -4.2525 -4.2525 4.9251 4.9251 4.9487 4.9487 5.5855 5.5855 5.5868 5.5868 5.6715 5.6715 5.7610 5.7610 10.3022 10.3022 10.4651 10.4651 11.2555 11.2555 11.6181 11.6181 12.4856 12.4856 k = 0.0000 0.4744-0.0000 ( 6698 PWs) bands (ev): -44.3226 -44.3226 -44.3196 -44.3196 -20.6974 -20.6974 -20.6740 -20.6740 -16.4090 -16.4090 -16.4020 -16.4020 -16.2394 -16.2394 -16.2360 -16.2360 -16.2209 -16.2209 -16.2076 -16.2076 -8.6828 -8.6828 -8.6787 -8.6787 -5.5661 -5.5661 -5.5275 -5.5275 -4.6719 -4.6719 -4.6648 -4.6648 -4.2698 -4.2698 -4.2572 -4.2572 4.9244 4.9244 4.9402 4.9402 5.5843 5.5843 5.5852 5.5852 5.6884 5.6884 5.7482 5.7482 10.3249 10.3249 10.4342 10.4342 11.3266 11.3266 11.5705 11.5705 12.5068 12.5068 k = 0.0000 0.4872-0.0000 ( 6690 PWs) bands (ev): -44.3219 -44.3219 -44.3204 -44.3204 -20.6914 -20.6914 -20.6797 -20.6797 -16.4072 -16.4072 -16.4036 -16.4036 -16.2385 -16.2385 -16.2367 -16.2367 -16.2179 -16.2179 -16.2112 -16.2112 -8.6819 -8.6819 -8.6799 -8.6799 -5.5570 -5.5570 -5.5378 -5.5378 -4.6693 -4.6693 -4.6657 -4.6657 -4.2676 -4.2676 -4.2612 -4.2612 4.9255 4.9255 4.9335 4.9335 5.5838 5.5838 5.5842 5.5842 5.7046 5.7046 5.7346 5.7346 10.3495 10.3495 10.4044 10.4044 11.3945 11.3945 11.5170 11.5170 12.5304 12.5304 k = 0.0000 0.5000-0.0000 ( 6680 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6855 -20.6855 -20.6855 -20.6855 -16.4054 -16.4054 -16.4054 -16.4054 -16.2375 -16.2375 -16.2375 -16.2375 -16.2146 -16.2146 -16.2146 -16.2146 -8.6810 -8.6810 -8.6810 -8.6810 -5.5476 -5.5476 -5.5476 -5.5476 -4.6673 -4.6673 -4.6673 -4.6673 -4.2647 -4.2647 -4.2647 -4.2647 4.9286 4.9286 4.9286 4.9286 5.5837 5.5837 5.5837 5.5837 5.7200 5.7200 5.7200 5.7200 10.3761 10.3761 10.3761 10.3761 11.4581 11.4581 11.4582 11.4582 12.5562 12.5562 k = 0.0000 0.5000-0.0000 ( 6680 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6855 -20.6855 -20.6855 -20.6855 -16.4054 -16.4054 -16.4054 -16.4054 -16.2375 -16.2375 -16.2375 -16.2375 -16.2146 -16.2146 -16.2146 -16.2146 -8.6810 -8.6810 -8.6810 -8.6810 -5.5476 -5.5476 -5.5476 -5.5476 -4.6673 -4.6673 -4.6673 -4.6673 -4.2647 -4.2647 -4.2647 -4.2647 4.9286 4.9286 4.9286 4.9286 5.5837 5.5837 5.5837 5.5837 5.7200 5.7200 5.7200 5.7200 10.3761 10.3761 10.3761 10.3761 11.4581 11.4581 11.4582 11.4582 12.5562 12.5562 k = 0.0128 0.5000-0.0000 ( 6682 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6855 -20.6855 -20.6855 -20.6855 -16.4058 -16.4058 -16.4051 -16.4051 -16.2396 -16.2396 -16.2364 -16.2364 -16.2153 -16.2153 -16.2129 -16.2129 -8.6808 -8.6808 -8.6808 -8.6808 -5.5515 -5.5515 -5.5440 -5.5440 -4.6836 -4.6836 -4.6516 -4.6516 -4.2775 -4.2775 -4.2525 -4.2525 4.9284 4.9284 4.9302 4.9302 5.5818 5.5818 5.5836 5.5836 5.7198 5.7198 5.7214 5.7214 10.3766 10.3766 10.3781 10.3781 11.4578 11.4578 11.4578 11.4578 12.5563 12.5563 k = 0.0256 0.5000-0.0000 ( 6698 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6854 -20.6854 -20.6854 -20.6854 -16.4065 -16.4065 -16.4050 -16.4050 -16.2421 -16.2421 -16.2363 -16.2363 -16.2148 -16.2148 -16.2106 -16.2106 -8.6803 -8.6803 -8.6802 -8.6802 -5.5558 -5.5558 -5.5408 -5.5408 -4.7004 -4.7004 -4.6368 -4.6368 -4.2907 -4.2907 -4.2409 -4.2409 4.9294 4.9294 4.9330 4.9330 5.5781 5.5781 5.5816 5.5816 5.7207 5.7207 5.7237 5.7237 10.3797 10.3797 10.3826 10.3826 11.4567 11.4567 11.4568 11.4568 12.5582 12.5582 k = 0.0385 0.5000-0.0000 ( 6702 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6852 -20.6852 -20.6852 -20.6852 -16.4074 -16.4074 -16.4052 -16.4052 -16.2449 -16.2449 -16.2373 -16.2373 -16.2131 -16.2131 -16.2078 -16.2078 -8.6794 -8.6794 -8.6793 -8.6793 -5.5604 -5.5604 -5.5380 -5.5380 -4.7177 -4.7177 -4.6228 -4.6228 -4.3043 -4.3043 -4.2300 -4.2300 4.9317 4.9317 4.9371 4.9371 5.5728 5.5728 5.5777 5.5777 5.7226 5.7226 5.7268 5.7268 10.3853 10.3853 10.3895 10.3895 11.4550 11.4550 11.4551 11.4551 12.5618 12.5618 k = 0.0513 0.5000-0.0000 ( 6702 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6849 -20.6849 -20.6849 -20.6849 -16.4085 -16.4085 -16.4055 -16.4055 -16.2477 -16.2477 -16.2389 -16.2389 -16.2105 -16.2105 -16.2048 -16.2048 -8.6781 -8.6781 -8.6781 -8.6781 -5.5652 -5.5652 -5.5356 -5.5356 -4.7354 -4.7354 -4.6098 -4.6098 -4.3181 -4.3181 -4.2199 -4.2199 4.9353 4.9353 4.9424 4.9424 5.5662 5.5662 5.5724 5.5724 5.7252 5.7252 5.7304 5.7304 10.3934 10.3934 10.3990 10.3990 11.4526 11.4526 11.4528 11.4528 12.5673 12.5673 k = 0.0641 0.5000-0.0000 ( 6720 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6846 -20.6846 -20.6846 -20.6846 -16.4097 -16.4097 -16.4061 -16.4061 -16.2506 -16.2506 -16.2410 -16.2410 -16.2075 -16.2075 -16.2016 -16.2016 -8.6766 -8.6766 -8.6765 -8.6765 -5.5704 -5.5704 -5.5336 -5.5336 -4.7532 -4.7532 -4.5978 -4.5978 -4.3320 -4.3320 -4.2107 -4.2107 4.9400 4.9400 4.9489 4.9489 5.5587 5.5587 5.5659 5.5659 5.7283 5.7283 5.7343 5.7343 10.4040 10.4040 10.4108 10.4108 11.4496 11.4496 11.4498 11.4498 12.5745 12.5745 k = 0.0769 0.5000-0.0000 ( 6736 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6841 -20.6841 -20.6841 -20.6841 -16.4111 -16.4111 -16.4069 -16.4069 -16.2535 -16.2535 -16.2433 -16.2433 -16.2042 -16.2042 -16.1983 -16.1983 -8.6747 -8.6747 -8.6746 -8.6746 -5.5759 -5.5759 -5.5322 -5.5322 -4.7711 -4.7711 -4.5871 -4.5871 -4.3458 -4.3458 -4.2022 -4.2022 4.9458 4.9458 4.9563 4.9563 5.5505 5.5505 5.5586 5.5586 5.7315 5.7315 5.7380 5.7380 10.4170 10.4170 10.4250 10.4250 11.4461 11.4461 11.4462 11.4462 12.5837 12.5837 k = 0.0897 0.5000-0.0000 ( 6740 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6837 -20.6837 -20.6836 -20.6836 -16.4127 -16.4127 -16.4079 -16.4079 -16.2562 -16.2562 -16.2456 -16.2456 -16.2006 -16.2006 -16.1949 -16.1949 -8.6724 -8.6724 -8.6723 -8.6723 -5.5818 -5.5818 -5.5313 -5.5313 -4.7890 -4.7890 -4.5777 -4.5777 -4.3593 -4.3593 -4.1947 -4.1947 4.9526 4.9526 4.9647 4.9647 5.5420 5.5420 5.5507 5.5507 5.7346 5.7346 5.7416 5.7416 10.4323 10.4323 10.4415 10.4415 11.4420 11.4420 11.4421 11.4421 12.5947 12.5947 k = 0.1026 0.5000-0.0000 ( 6742 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6831 -20.6831 -20.6831 -20.6831 -16.4144 -16.4144 -16.4090 -16.4090 -16.2589 -16.2589 -16.2479 -16.2479 -16.1969 -16.1969 -16.1914 -16.1914 -8.6699 -8.6699 -8.6698 -8.6698 -5.5879 -5.5879 -5.5310 -5.5310 -4.8066 -4.8066 -4.5698 -4.5698 -4.3723 -4.3723 -4.1882 -4.1882 4.9603 4.9603 4.9739 4.9739 5.5333 5.5333 5.5426 5.5426 5.7374 5.7374 5.7447 5.7447 10.4499 10.4499 10.4601 10.4601 11.4373 11.4373 11.4374 11.4374 12.6078 12.6078 k = 0.1154 0.5000-0.0000 ( 6738 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6825 -20.6825 -20.6825 -20.6825 -16.4162 -16.4162 -16.4104 -16.4104 -16.2613 -16.2613 -16.2502 -16.2502 -16.1932 -16.1932 -16.1879 -16.1879 -8.6670 -8.6670 -8.6669 -8.6669 -5.5943 -5.5943 -5.5314 -5.5314 -4.8238 -4.8238 -4.5635 -4.5635 -4.3845 -4.3845 -4.1826 -4.1826 4.9688 4.9688 4.9838 4.9838 5.5246 5.5246 5.5344 5.5344 5.7398 5.7398 5.7474 5.7474 10.4696 10.4696 10.4808 10.4808 11.4322 11.4322 11.4323 11.4323 12.6230 12.6230 k = 0.1282 0.5000-0.0000 ( 6730 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6818 -20.6818 -20.6818 -20.6818 -16.4181 -16.4181 -16.4119 -16.4119 -16.2636 -16.2636 -16.2523 -16.2523 -16.1894 -16.1894 -16.1844 -16.1844 -8.6639 -8.6639 -8.6638 -8.6638 -5.6011 -5.6011 -5.5325 -5.5325 -4.8405 -4.8405 -4.5591 -4.5591 -4.3957 -4.3957 -4.1779 -4.1779 4.9778 4.9778 4.9941 4.9941 5.5163 5.5163 5.5265 5.5265 5.7417 5.7417 5.7494 5.7494 10.4914 10.4914 10.5034 10.5034 11.4266 11.4266 11.4267 11.4267 12.6405 12.6405 k = 0.1410 0.5000-0.0000 ( 6718 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6811 -20.6811 -20.6811 -20.6811 -16.4200 -16.4200 -16.4135 -16.4135 -16.2658 -16.2658 -16.2544 -16.2544 -16.1856 -16.1856 -16.1809 -16.1809 -8.6605 -8.6605 -8.6604 -8.6604 -5.6082 -5.6082 -5.5345 -5.5345 -4.8565 -4.8565 -4.5568 -4.5568 -4.4055 -4.4055 -4.1742 -4.1742 4.9873 4.9873 5.0048 5.0048 5.5084 5.5084 5.5189 5.5189 5.7429 5.7429 5.7507 5.7507 10.5151 10.5151 10.5277 10.5277 11.4205 11.4205 11.4206 11.4206 12.6604 12.6604 k = 0.1538 0.5000-0.0000 ( 6722 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6803 -20.6803 -20.6803 -20.6803 -16.4222 -16.4222 -16.4154 -16.4154 -16.2679 -16.2679 -16.2565 -16.2565 -16.1818 -16.1818 -16.1774 -16.1774 -8.6569 -8.6569 -8.6568 -8.6568 -5.6155 -5.6155 -5.5373 -5.5373 -4.8716 -4.8716 -4.5568 -4.5568 -4.4136 -4.4136 -4.1715 -4.1715 4.9970 4.9970 5.0156 5.0156 5.5010 5.5010 5.5118 5.5118 5.7434 5.7434 5.7513 5.7513 10.5405 10.5405 10.5537 10.5537 11.4139 11.4139 11.4141 11.4141 12.6831 12.6831 k = 0.1667 0.5000-0.0000 ( 6718 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6795 -20.6795 -20.6795 -20.6795 -16.4244 -16.4244 -16.4173 -16.4173 -16.2698 -16.2698 -16.2585 -16.2585 -16.1781 -16.1781 -16.1740 -16.1740 -8.6531 -8.6531 -8.6529 -8.6529 -5.6232 -5.6232 -5.5410 -5.5410 -4.8857 -4.8857 -4.5591 -4.5591 -4.4200 -4.4200 -4.1697 -4.1697 5.0069 5.0069 5.0263 5.0263 5.4945 5.4945 5.5054 5.5054 5.7432 5.7432 5.7511 5.7511 10.5675 10.5675 10.5812 10.5812 11.4069 11.4069 11.4072 11.4072 12.7086 12.7086 k = 0.1795 0.5000-0.0000 ( 6724 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6786 -20.6786 -20.6786 -20.6786 -16.4266 -16.4266 -16.4194 -16.4194 -16.2715 -16.2715 -16.2603 -16.2603 -16.1744 -16.1744 -16.1707 -16.1707 -8.6490 -8.6490 -8.6489 -8.6489 -5.6312 -5.6312 -5.5457 -5.5457 -4.8987 -4.8987 -4.5636 -4.5636 -4.4246 -4.4246 -4.1689 -4.1689 5.0167 5.0167 5.0368 5.0368 5.4888 5.4888 5.4999 5.4999 5.7423 5.7423 5.7501 5.7501 10.5959 10.5959 10.6098 10.6098 11.3994 11.3994 11.3998 11.3998 12.7372 12.7372 k = 0.1923 0.5000-0.0000 ( 6720 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6777 -20.6777 -20.6777 -20.6777 -16.4289 -16.4289 -16.4216 -16.4216 -16.2731 -16.2731 -16.2621 -16.2621 -16.1708 -16.1708 -16.1673 -16.1673 -8.6448 -8.6448 -8.6446 -8.6446 -5.6394 -5.6394 -5.5514 -5.5514 -4.9104 -4.9104 -4.5701 -4.5701 -4.4275 -4.4275 -4.1690 -4.1690 5.0262 5.0262 5.0469 5.0469 5.4842 5.4842 5.4953 5.4953 5.7406 5.7406 5.7485 5.7485 10.6253 10.6253 10.6394 10.6394 11.3915 11.3915 11.3920 11.3920 12.7691 12.7691 k = 0.2051 0.5000-0.0000 ( 6724 PWs) bands (ev): -44.3210 -44.3210 -44.3210 -44.3210 -20.6768 -20.6768 -20.6768 -20.6768 -16.4313 -16.4313 -16.4239 -16.4239 -16.2746 -16.2746 -16.2638 -16.2638 -16.1673 -16.1673 -16.1641 -16.1641 -8.6404 -8.6404 -8.6403 -8.6403 -5.6479 -5.6479 -5.5580 -5.5580 -4.9208 -4.9208 -4.5782 -4.5782 -4.4291 -4.4291 -4.1700 -4.1700 5.0353 5.0353 5.0564 5.0564 5.4808 5.4808 5.4918 5.4918 5.7382 5.7382 5.7461 5.7461 10.6557 10.6557 10.6698 10.6698 11.3832 11.3832 11.3837 11.3837 12.8046 12.8046 k = 0.2179 0.5000-0.0000 ( 6724 PWs) bands (ev): -44.3210 -44.3210 -44.3210 -44.3210 -20.6758 -20.6758 -20.6758 -20.6758 -16.4336 -16.4336 -16.4263 -16.4263 -16.2759 -16.2759 -16.2654 -16.2654 -16.1639 -16.1639 -16.1609 -16.1609 -8.6359 -8.6359 -8.6358 -8.6358 -5.6566 -5.6566 -5.5657 -5.5657 -4.9297 -4.9297 -4.5875 -4.5875 -4.4296 -4.4296 -4.1718 -4.1718 5.0439 5.0439 5.0651 5.0651 5.4785 5.4785 5.4895 5.4895 5.7352 5.7352 5.7430 5.7430 10.6868 10.6868 10.7007 10.7007 11.3744 11.3744 11.3750 11.3750 12.8438 12.8438 k = 0.2308 0.5000-0.0000 ( 6724 PWs) bands (ev): -44.3210 -44.3210 -44.3210 -44.3210 -20.6749 -20.6749 -20.6748 -20.6748 -16.4359 -16.4359 -16.4287 -16.4287 -16.2771 -16.2771 -16.2669 -16.2669 -16.1606 -16.1606 -16.1578 -16.1578 -8.6313 -8.6313 -8.6312 -8.6312 -5.6654 -5.6654 -5.5743 -5.5743 -4.9372 -4.9372 -4.5977 -4.5977 -4.4293 -4.4293 -4.1745 -4.1745 5.0517 5.0517 5.0729 5.0729 5.4776 5.4776 5.4883 5.4883 5.7315 5.7315 5.7393 5.7393 10.7182 10.7182 10.7319 10.7319 11.3652 11.3652 11.3659 11.3659 12.8870 12.8870 k = 0.2436 0.5000-0.0000 ( 6724 PWs) bands (ev): -44.3210 -44.3210 -44.3210 -44.3210 -20.6739 -20.6739 -20.6739 -20.6739 -16.4383 -16.4383 -16.4311 -16.4311 -16.2782 -16.2782 -16.2683 -16.2683 -16.1574 -16.1574 -16.1549 -16.1549 -8.6267 -8.6267 -8.6265 -8.6265 -5.6744 -5.6744 -5.5838 -5.5838 -4.9431 -4.9431 -4.6084 -4.6084 -4.4285 -4.4285 -4.1780 -4.1780 5.0588 5.0588 5.0798 5.0798 5.4779 5.4779 5.4884 5.4884 5.7272 5.7272 5.7351 5.7351 10.7498 10.7498 10.7631 10.7631 11.3556 11.3556 11.3564 11.3564 12.9341 12.9341 k = 0.2564 0.5000-0.0000 ( 6724 PWs) bands (ev): -44.3210 -44.3210 -44.3210 -44.3210 -20.6729 -20.6729 -20.6729 -20.6729 -16.4406 -16.4406 -16.4336 -16.4336 -16.2792 -16.2792 -16.2696 -16.2696 -16.1543 -16.1543 -16.1520 -16.1520 -8.6220 -8.6220 -8.6218 -8.6218 -5.6834 -5.6834 -5.5940 -5.5940 -4.9475 -4.9475 -4.6196 -4.6196 -4.4272 -4.4272 -4.1822 -4.1822 5.0651 5.0651 5.0855 5.0855 5.4795 5.4795 5.4896 5.4896 5.7225 5.7225 5.7303 5.7303 10.7813 10.7813 10.7941 10.7941 11.3457 11.3457 11.3464 11.3464 12.9854 12.9854 k = 0.2692 0.5000-0.0000 ( 6712 PWs) bands (ev): -44.3210 -44.3210 -44.3210 -44.3210 -20.6719 -20.6719 -20.6719 -20.6719 -16.4428 -16.4428 -16.4360 -16.4360 -16.2800 -16.2800 -16.2708 -16.2708 -16.1513 -16.1513 -16.1492 -16.1492 -8.6173 -8.6173 -8.6171 -8.6171 -5.6925 -5.6925 -5.6050 -5.6050 -4.9505 -4.9505 -4.6309 -4.6309 -4.4256 -4.4256 -4.1871 -4.1871 5.0704 5.0704 5.0903 5.0903 5.4823 5.4823 5.4921 5.4921 5.7173 5.7173 5.7252 5.7252 10.8124 10.8124 10.8247 10.8247 11.3354 11.3354 11.3362 11.3362 13.0408 13.0408 k = 0.2821 0.5000-0.0000 ( 6712 PWs) bands (ev): -44.3210 -44.3210 -44.3210 -44.3210 -20.6710 -20.6710 -20.6709 -20.6709 -16.4450 -16.4450 -16.4384 -16.4384 -16.2807 -16.2807 -16.2720 -16.2720 -16.1484 -16.1484 -16.1465 -16.1465 -8.6126 -8.6126 -8.6124 -8.6124 -5.7015 -5.7015 -5.6166 -5.6166 -4.9520 -4.9520 -4.6424 -4.6424 -4.4236 -4.4236 -4.1927 -4.1927 5.0749 5.0749 5.0940 5.0940 5.4861 5.4861 5.4955 5.4955 5.7117 5.7117 5.7197 5.7197 10.8429 10.8429 10.8546 10.8546 11.3248 11.3248 11.3257 11.3257 13.1001 13.1001 k = 0.2949 0.5000-0.0000 ( 6720 PWs) bands (ev): -44.3210 -44.3210 -44.3210 -44.3210 -20.6700 -20.6700 -20.6700 -20.6700 -16.4472 -16.4472 -16.4408 -16.4408 -16.2814 -16.2814 -16.2731 -16.2731 -16.1458 -16.1458 -16.1440 -16.1440 -8.6080 -8.6080 -8.6078 -8.6078 -5.7104 -5.7104 -5.6286 -5.6286 -4.9522 -4.9522 -4.6539 -4.6539 -4.4214 -4.4214 -4.1989 -4.1989 5.0785 5.0785 5.0968 5.0968 5.4909 5.4909 5.4999 5.4999 5.7058 5.7058 5.7139 5.7139 10.8726 10.8726 10.8837 10.8837 11.3141 11.3141 11.3150 11.3150 13.1632 13.1632 k = 0.3077 0.5000-0.0000 ( 6716 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6691 -20.6691 -20.6691 -20.6691 -16.4492 -16.4492 -16.4431 -16.4431 -16.2819 -16.2819 -16.2741 -16.2741 -16.1432 -16.1432 -16.1416 -16.1416 -8.6035 -8.6035 -8.6033 -8.6033 -5.7191 -5.7191 -5.6409 -5.6409 -4.9511 -4.9511 -4.6655 -4.6655 -4.4189 -4.4189 -4.2056 -4.2056 5.0814 5.0814 5.0987 5.0987 5.4964 5.4964 5.5051 5.5051 5.6998 5.6998 5.7080 5.7080 10.9014 10.9014 10.9118 10.9118 11.3032 11.3032 11.3042 11.3042 13.2297 13.2297 k = 0.3205 0.5000-0.0000 ( 6720 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6682 -20.6682 -20.6681 -20.6681 -16.4512 -16.4512 -16.4454 -16.4454 -16.2824 -16.2824 -16.2750 -16.2750 -16.1408 -16.1408 -16.1393 -16.1393 -8.5991 -8.5991 -8.5989 -8.5989 -5.7275 -5.7275 -5.6533 -5.6533 -4.9488 -4.9488 -4.6770 -4.6770 -4.4161 -4.4161 -4.2129 -4.2129 5.0836 5.0836 5.0998 5.0998 5.5025 5.5025 5.5110 5.5110 5.6936 5.6936 5.7019 5.7019 10.9290 10.9290 10.9386 10.9386 11.2923 11.2923 11.2933 11.2933 13.2992 13.2992 k = 0.3333 0.5000-0.0000 ( 6732 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6673 -20.6673 -20.6673 -20.6673 -16.4531 -16.4531 -16.4476 -16.4476 -16.2829 -16.2829 -16.2760 -16.2760 -16.1385 -16.1385 -16.1372 -16.1372 -8.5948 -8.5948 -8.5946 -8.5946 -5.7356 -5.7356 -5.6658 -5.6658 -4.9454 -4.9454 -4.6885 -4.6885 -4.4130 -4.4130 -4.2205 -4.2205 5.0851 5.0851 5.1002 5.1002 5.5090 5.5090 5.5173 5.5173 5.6874 5.6874 5.6959 5.6959 10.9552 10.9552 10.9642 10.9642 11.2815 11.2815 11.2826 11.2826 13.3712 13.3712 k = 0.3462 0.5000-0.0000 ( 6732 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6665 -20.6665 -20.6664 -20.6664 -16.4548 -16.4548 -16.4497 -16.4497 -16.2832 -16.2832 -16.2768 -16.2768 -16.1364 -16.1364 -16.1352 -16.1352 -8.5907 -8.5907 -8.5905 -8.5905 -5.7432 -5.7432 -5.6782 -5.6782 -4.9409 -4.9409 -4.7000 -4.7000 -4.4095 -4.4095 -4.2286 -4.2286 5.0862 5.0862 5.1001 5.1001 5.5157 5.5157 5.5238 5.5238 5.6813 5.6813 5.6899 5.6899 10.9800 10.9800 10.9883 10.9883 11.2708 11.2708 11.2719 11.2719 13.4449 13.4449 k = 0.3590 0.5000-0.0000 ( 6732 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6657 -20.6657 -20.6657 -20.6657 -16.4564 -16.4564 -16.4517 -16.4517 -16.2835 -16.2835 -16.2776 -16.2776 -16.1344 -16.1344 -16.1334 -16.1334 -8.5868 -8.5868 -8.5866 -8.5866 -5.7504 -5.7504 -5.6902 -5.6902 -4.9355 -4.9355 -4.7114 -4.7114 -4.4057 -4.4057 -4.2370 -4.2370 5.0869 5.0869 5.0996 5.0996 5.5226 5.5226 5.5305 5.5305 5.6753 5.6753 5.6841 5.6841 11.0033 11.0033 11.0109 11.0109 11.2604 11.2604 11.2616 11.2616 13.5194 13.5194 k = 0.3718 0.5000-0.0000 ( 6720 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6649 -20.6649 -20.6649 -20.6649 -16.4579 -16.4579 -16.4536 -16.4536 -16.2837 -16.2837 -16.2783 -16.2783 -16.1325 -16.1325 -16.1316 -16.1316 -8.5831 -8.5831 -8.5830 -8.5830 -5.7570 -5.7570 -5.7019 -5.7019 -4.9293 -4.9293 -4.7229 -4.7229 -4.4014 -4.4014 -4.2457 -4.2457 5.0872 5.0872 5.0988 5.0988 5.5293 5.5293 5.5372 5.5372 5.6696 5.6696 5.6784 5.6784 11.0249 11.0249 11.0319 11.0319 11.2502 11.2502 11.2515 11.2515 13.5938 13.5938 k = 0.3846 0.5000-0.0000 ( 6724 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6643 -20.6643 -20.6642 -20.6642 -16.4593 -16.4593 -16.4553 -16.4553 -16.2838 -16.2838 -16.2790 -16.2790 -16.1309 -16.1309 -16.1301 -16.1301 -8.5797 -8.5797 -8.5796 -8.5796 -5.7629 -5.7629 -5.7131 -5.7131 -4.9223 -4.9223 -4.7343 -4.7343 -4.3967 -4.3967 -4.2546 -4.2546 5.0873 5.0873 5.0977 5.0977 5.5358 5.5358 5.5436 5.5436 5.6642 5.6642 5.6731 5.6731 11.0449 11.0449 11.0512 11.0512 11.2405 11.2405 11.2419 11.2419 13.6668 13.6668 k = 0.3974 0.5000-0.0000 ( 6720 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6636 -20.6636 -20.6636 -20.6636 -16.4604 -16.4604 -16.4569 -16.4569 -16.2839 -16.2839 -16.2796 -16.2796 -16.1294 -16.1294 -16.1287 -16.1287 -8.5766 -8.5766 -8.5765 -8.5765 -5.7682 -5.7682 -5.7237 -5.7237 -4.9146 -4.9146 -4.7458 -4.7458 -4.3916 -4.3916 -4.2636 -4.2636 5.0873 5.0873 5.0965 5.0965 5.5419 5.5419 5.5496 5.5496 5.6592 5.6592 5.6681 5.6681 11.0631 11.0631 11.0689 11.0689 11.2313 11.2313 11.2328 11.2328 13.7373 13.7373 k = 0.4103 0.5000-0.0000 ( 6728 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6631 -20.6631 -20.6631 -20.6631 -16.4615 -16.4615 -16.4584 -16.4584 -16.2840 -16.2840 -16.2802 -16.2802 -16.1281 -16.1281 -16.1276 -16.1276 -8.5738 -8.5738 -8.5737 -8.5737 -5.7726 -5.7726 -5.7336 -5.7336 -4.9063 -4.9063 -4.7573 -4.7573 -4.3861 -4.3861 -4.2728 -4.2728 5.0871 5.0871 5.0952 5.0952 5.5476 5.5476 5.5552 5.5552 5.6548 5.6548 5.6634 5.6634 11.0796 11.0796 11.0848 11.0848 11.2227 11.2227 11.2242 11.2242 13.8040 13.8040 k = 0.4231 0.5000-0.0000 ( 6732 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6626 -20.6626 -20.6626 -20.6626 -16.4624 -16.4624 -16.4597 -16.4597 -16.2840 -16.2840 -16.2807 -16.2807 -16.1270 -16.1270 -16.1265 -16.1265 -8.5714 -8.5714 -8.5713 -8.5713 -5.7762 -5.7762 -5.7427 -5.7427 -4.8974 -4.8974 -4.7687 -4.7687 -4.3801 -4.3801 -4.2821 -4.2821 5.0870 5.0870 5.0939 5.0939 5.5529 5.5529 5.5601 5.5601 5.6509 5.6509 5.6592 5.6592 11.0944 11.0944 11.0991 11.0991 11.2146 11.2146 11.2163 11.2163 13.8655 13.8655 k = 0.4359 0.5000-0.0000 ( 6728 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6622 -20.6622 -20.6622 -20.6622 -16.4631 -16.4631 -16.4609 -16.4609 -16.2839 -16.2839 -16.2812 -16.2812 -16.1260 -16.1260 -16.1256 -16.1256 -8.5692 -8.5692 -8.5691 -8.5691 -5.7789 -5.7789 -5.7510 -5.7510 -4.8881 -4.8881 -4.7801 -4.7801 -4.3737 -4.3737 -4.2913 -4.2913 5.0869 5.0869 5.0926 5.0926 5.5575 5.5575 5.5642 5.5642 5.6477 5.6477 5.6553 5.6553 11.1074 11.1074 11.1116 11.1116 11.2073 11.2073 11.2090 11.2090 13.9209 13.9209 k = 0.4487 0.5000-0.0000 ( 6728 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6618 -20.6618 -20.6618 -20.6618 -16.4637 -16.4637 -16.4619 -16.4619 -16.2838 -16.2838 -16.2816 -16.2816 -16.1252 -16.1252 -16.1249 -16.1249 -8.5675 -8.5675 -8.5674 -8.5674 -5.7807 -5.7807 -5.7584 -5.7584 -4.8784 -4.8784 -4.7915 -4.7915 -4.3669 -4.3669 -4.3005 -4.3005 5.0868 5.0868 5.0914 5.0914 5.5616 5.5616 5.5675 5.5675 5.6453 5.6453 5.6520 5.6520 11.1186 11.1186 11.1223 11.1223 11.2007 11.2007 11.2024 11.2024 13.9690 13.9690 k = 0.4615 0.5000-0.0000 ( 6736 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6615 -20.6615 -20.6615 -20.6615 -16.4641 -16.4641 -16.4627 -16.4627 -16.2837 -16.2837 -16.2820 -16.2820 -16.1246 -16.1246 -16.1243 -16.1243 -8.5661 -8.5661 -8.5660 -8.5660 -5.7815 -5.7815 -5.7647 -5.7647 -4.8683 -4.8683 -4.8029 -4.8029 -4.3596 -4.3596 -4.3096 -4.3096 5.0869 5.0869 5.0903 5.0903 5.5651 5.5651 5.5698 5.5698 5.6437 5.6437 5.6490 5.6490 11.1280 11.1280 11.1311 11.1311 11.1949 11.1949 11.1966 11.1966 14.0092 14.0093 k = 0.4744 0.5000-0.0000 ( 6732 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6613 -20.6613 -20.6613 -20.6613 -16.4643 -16.4643 -16.4634 -16.4634 -16.2835 -16.2835 -16.2824 -16.2824 -16.1241 -16.1241 -16.1239 -16.1239 -8.5651 -8.5651 -8.5650 -8.5650 -5.7813 -5.7813 -5.7701 -5.7701 -4.8579 -4.8579 -4.8142 -4.8142 -4.3520 -4.3520 -4.3185 -4.3185 5.0871 5.0871 5.0894 5.0894 5.5678 5.5678 5.5712 5.5712 5.6428 5.6428 5.6466 5.6466 11.1355 11.1355 11.1378 11.1378 11.1903 11.1903 11.1917 11.1917 14.0410 14.0410 k = 0.4872 0.5000-0.0000 ( 6736 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6612 -20.6612 -20.6612 -20.6612 -16.4643 -16.4643 -16.4639 -16.4639 -16.2833 -16.2833 -16.2827 -16.2827 -16.1238 -16.1238 -16.1238 -16.1238 -8.5645 -8.5645 -8.5644 -8.5644 -5.7801 -5.7801 -5.7745 -5.7745 -4.8472 -4.8472 -4.8253 -4.8253 -4.3441 -4.3441 -4.3273 -4.3273 5.0874 5.0874 5.0886 5.0886 5.5699 5.5699 5.5716 5.5716 5.6428 5.6428 5.6447 5.6447 11.1407 11.1407 11.1420 11.1420 11.1874 11.1874 11.1882 11.1882 14.0638 14.0639 k = 0.5000 0.5000-0.0000 ( 6740 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6612 -20.6612 -20.6612 -20.6612 -16.4642 -16.4642 -16.4642 -16.4642 -16.2830 -16.2830 -16.2830 -16.2830 -16.1237 -16.1237 -16.1237 -16.1237 -8.5642 -8.5642 -8.5642 -8.5642 -5.7778 -5.7778 -5.7778 -5.7778 -4.8364 -4.8364 -4.8364 -4.8364 -4.3358 -4.3358 -4.3358 -4.3358 5.0879 5.0879 5.0879 5.0879 5.5712 5.5712 5.5712 5.5712 5.6434 5.6434 5.6434 5.6434 11.1430 11.1430 11.1430 11.1430 11.1866 11.1866 11.1866 11.1866 14.0769 14.0769 k = 0.5000 0.5000-0.0000 ( 6740 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6612 -20.6612 -20.6612 -20.6612 -16.4642 -16.4642 -16.4642 -16.4642 -16.2830 -16.2830 -16.2830 -16.2830 -16.1237 -16.1237 -16.1237 -16.1237 -8.5642 -8.5642 -8.5642 -8.5642 -5.7778 -5.7778 -5.7778 -5.7778 -4.8364 -4.8364 -4.8364 -4.8364 -4.3358 -4.3358 -4.3358 -4.3358 5.0879 5.0879 5.0879 5.0879 5.5712 5.5712 5.5712 5.5712 5.6434 5.6434 5.6434 5.6434 11.1430 11.1430 11.1430 11.1430 11.1866 11.1866 11.1866 11.1866 14.0769 14.0769 k = 0.4909 0.4909-0.0000 ( 6736 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6613 -20.6613 -20.6611 -20.6611 -16.4643 -16.4643 -16.4639 -16.4639 -16.2833 -16.2833 -16.2827 -16.2827 -16.1239 -16.1239 -16.1237 -16.1237 -8.5645 -8.5645 -8.5644 -8.5644 -5.7801 -5.7801 -5.7745 -5.7745 -4.8473 -4.8473 -4.8253 -4.8253 -4.3441 -4.3441 -4.3273 -4.3273 5.0873 5.0873 5.0887 5.0887 5.5697 5.5697 5.5718 5.5718 5.6428 5.6428 5.6447 5.6447 11.1397 11.1397 11.1429 11.1429 11.1861 11.1861 11.1895 11.1895 14.0628 14.0629 k = 0.4818 0.4818-0.0000 ( 6736 PWs) bands (ev): -44.3209 -44.3209 -44.3208 -44.3208 -20.6618 -20.6618 -20.6609 -20.6609 -16.4643 -16.4643 -16.4633 -16.4633 -16.2835 -16.2835 -16.2824 -16.2824 -16.1243 -16.1243 -16.1238 -16.1238 -8.5652 -8.5652 -8.5649 -8.5649 -5.7815 -5.7815 -5.7700 -5.7700 -4.8580 -4.8580 -4.8141 -4.8141 -4.3521 -4.3521 -4.3185 -4.3185 5.0865 5.0865 5.0900 5.0900 5.5668 5.5668 5.5722 5.5722 5.6429 5.6429 5.6465 5.6465 11.1308 11.1308 11.1423 11.1423 11.1844 11.1844 11.1979 11.1979 14.0346 14.0346 k = 0.4727 0.4727-0.0000 ( 6730 PWs) bands (ev): -44.3210 -44.3210 -44.3207 -44.3207 -20.6626 -20.6626 -20.6605 -20.6605 -16.4642 -16.4642 -16.4625 -16.4625 -16.2836 -16.2836 -16.2820 -16.2820 -16.1251 -16.1251 -16.1238 -16.1238 -8.5665 -8.5665 -8.5656 -8.5656 -5.7820 -5.7820 -5.7643 -5.7643 -4.8685 -4.8685 -4.8027 -4.8027 -4.3597 -4.3597 -4.3095 -4.3095 5.0852 5.0852 5.0921 5.0921 5.5622 5.5622 5.5728 5.5728 5.6438 5.6438 5.6488 5.6488 11.1172 11.1172 11.1414 11.1414 11.1804 11.1804 11.2118 11.2118 13.9935 13.9935 k = 0.4636 0.4636-0.0000 ( 6726 PWs) bands (ev): -44.3211 -44.3211 -44.3206 -44.3206 -20.6637 -20.6637 -20.6599 -20.6599 -16.4641 -16.4641 -16.4615 -16.4615 -16.2838 -16.2838 -16.2816 -16.2816 -16.1261 -16.1261 -16.1239 -16.1239 -8.5682 -8.5682 -8.5667 -8.5667 -5.7817 -5.7817 -5.7573 -5.7573 -4.8787 -4.8787 -4.7912 -4.7912 -4.3670 -4.3670 -4.3004 -4.3004 5.0835 5.0835 5.0951 5.0951 5.5561 5.5561 5.5735 5.5735 5.6455 5.6455 5.6513 5.6513 11.0999 11.0999 11.1401 11.1401 11.1736 11.1736 11.2310 11.2310 13.9417 13.9417 k = 0.4545 0.4545-0.0000 ( 6730 PWs) bands (ev): -44.3213 -44.3213 -44.3205 -44.3205 -20.6651 -20.6651 -20.6592 -20.6592 -16.4638 -16.4638 -16.4602 -16.4602 -16.2839 -16.2839 -16.2812 -16.2812 -16.1276 -16.1276 -16.1241 -16.1241 -8.5704 -8.5704 -8.5680 -8.5680 -5.7808 -5.7808 -5.7490 -5.7490 -4.8886 -4.8886 -4.7795 -4.7795 -4.3739 -4.3739 -4.2911 -4.2911 5.0814 5.0814 5.0988 5.0988 5.5484 5.5484 5.5744 5.5744 5.6479 5.6479 5.6540 5.6540 11.0797 11.0797 11.1384 11.1384 11.1636 11.1636 11.2554 11.2554 13.8812 13.8812 k = 0.4455 0.4455-0.0000 ( 6724 PWs) bands (ev): -44.3214 -44.3214 -44.3203 -44.3203 -20.6669 -20.6669 -20.6583 -20.6583 -16.4636 -16.4636 -16.4586 -16.4586 -16.2839 -16.2839 -16.2807 -16.2807 -16.1292 -16.1292 -16.1242 -16.1242 -8.5729 -8.5729 -8.5696 -8.5696 -5.7794 -5.7794 -5.7394 -5.7394 -4.8982 -4.8982 -4.7678 -4.7678 -4.3805 -4.3805 -4.2818 -4.2818 5.0789 5.0789 5.1033 5.1033 5.5395 5.5395 5.5755 5.5755 5.6509 5.6509 5.6569 5.6569 11.0572 11.0572 11.1362 11.1362 11.1502 11.1502 11.2845 11.2845 13.8137 13.8137 k = 0.4364 0.4364-0.0000 ( 6732 PWs) bands (ev): -44.3216 -44.3216 -44.3202 -44.3202 -20.6689 -20.6689 -20.6573 -20.6573 -16.4632 -16.4632 -16.4567 -16.4567 -16.2839 -16.2839 -16.2802 -16.2802 -16.1313 -16.1313 -16.1244 -16.1244 -8.5759 -8.5759 -8.5715 -8.5715 -5.7774 -5.7774 -5.7286 -5.7286 -4.9075 -4.9075 -4.7558 -4.7558 -4.3866 -4.3866 -4.2725 -4.2725 5.0761 5.0761 5.1087 5.1087 5.5295 5.5295 5.5768 5.5768 5.6543 5.6543 5.6600 5.6600 11.0330 11.0330 11.1323 11.1323 11.1346 11.1346 11.3181 11.3181 13.7402 13.7402 k = 0.4273 0.4273-0.0000 ( 6720 PWs) bands (ev): -44.3219 -44.3219 -44.3199 -44.3199 -20.6712 -20.6712 -20.6562 -20.6562 -16.4628 -16.4628 -16.4546 -16.4546 -16.2838 -16.2838 -16.2796 -16.2796 -16.1335 -16.1335 -16.1246 -16.1246 -8.5793 -8.5793 -8.5736 -8.5736 -5.7750 -5.7750 -5.7166 -5.7166 -4.9163 -4.9163 -4.7437 -4.7437 -4.3924 -4.3924 -4.2633 -4.2633 5.0731 5.0731 5.1148 5.1148 5.5187 5.5187 5.5784 5.5784 5.6580 5.6580 5.6632 5.6632 11.0078 11.0078 11.1131 11.1131 11.1304 11.1304 11.3558 11.3558 13.6617 13.6617 k = 0.4182 0.4182-0.0000 ( 6732 PWs) bands (ev): -44.3221 -44.3221 -44.3197 -44.3197 -20.6738 -20.6738 -20.6549 -20.6549 -16.4624 -16.4624 -16.4523 -16.4523 -16.2837 -16.2837 -16.2790 -16.2790 -16.1361 -16.1361 -16.1249 -16.1249 -8.5829 -8.5829 -8.5759 -8.5759 -5.7721 -5.7721 -5.7035 -5.7035 -4.9247 -4.9247 -4.7314 -4.7314 -4.3978 -4.3978 -4.2543 -4.2543 5.0699 5.0699 5.1217 5.1217 5.5071 5.5071 5.5801 5.5801 5.6618 5.6618 5.6665 5.6665 10.9821 10.9821 11.0898 11.0898 11.1264 11.1264 11.3970 11.3970 13.5791 13.5791 k = 0.4091 0.4091-0.0000 ( 6742 PWs) bands (ev): -44.3224 -44.3224 -44.3194 -44.3194 -20.6767 -20.6767 -20.6534 -20.6534 -16.4619 -16.4619 -16.4498 -16.4498 -16.2836 -16.2836 -16.2784 -16.2784 -16.1389 -16.1389 -16.1251 -16.1251 -8.5869 -8.5869 -8.5784 -8.5784 -5.7689 -5.7689 -5.6894 -5.6894 -4.9326 -4.9326 -4.7188 -4.7188 -4.4028 -4.4028 -4.2454 -4.2454 5.0666 5.0666 5.1293 5.1293 5.4951 5.4951 5.5821 5.5821 5.6655 5.6655 5.6699 5.6699 10.9564 10.9564 11.0635 11.0635 11.1217 11.1217 11.4414 11.4414 13.4933 13.4933 k = 0.4000 0.4000-0.0000 ( 6738 PWs) bands (ev): -44.3227 -44.3227 -44.3191 -44.3191 -20.6798 -20.6798 -20.6519 -20.6519 -16.4614 -16.4614 -16.4471 -16.4471 -16.2833 -16.2833 -16.2777 -16.2777 -16.1419 -16.1419 -16.1254 -16.1254 -8.5911 -8.5911 -8.5811 -8.5811 -5.7655 -5.7655 -5.6744 -5.6744 -4.9400 -4.9400 -4.7060 -4.7060 -4.4074 -4.4074 -4.2369 -4.2369 5.0633 5.0633 5.1377 5.1377 5.4829 5.4829 5.5844 5.5844 5.6689 5.6689 5.6736 5.6736 10.9311 10.9311 11.0345 11.0345 11.1160 11.1160 11.4884 11.4884 13.4049 13.4049 k = 0.3909 0.3909-0.0000 ( 6734 PWs) bands (ev): -44.3231 -44.3231 -44.3188 -44.3188 -20.6832 -20.6832 -20.6502 -20.6502 -16.4608 -16.4608 -16.4442 -16.4442 -16.2830 -16.2830 -16.2769 -16.2769 -16.1452 -16.1452 -16.1257 -16.1257 -8.5955 -8.5955 -8.5839 -8.5839 -5.7617 -5.7617 -5.6586 -5.6586 -4.9469 -4.9469 -4.6930 -4.6930 -4.4116 -4.4116 -4.2286 -4.2286 5.0601 5.0601 5.1467 5.1467 5.4706 5.4706 5.5869 5.5869 5.6715 5.6715 5.6777 5.6777 10.9062 10.9062 11.0033 11.0033 11.1092 11.1092 11.5374 11.5374 13.3147 13.3147 k = 0.3818 0.3818-0.0000 ( 6722 PWs) bands (ev): -44.3234 -44.3234 -44.3184 -44.3184 -20.6869 -20.6869 -20.6483 -20.6483 -16.4602 -16.4602 -16.4411 -16.4411 -16.2826 -16.2826 -16.2761 -16.2761 -16.1486 -16.1486 -16.1260 -16.1260 -8.6001 -8.6001 -8.5868 -8.5868 -5.7577 -5.7577 -5.6421 -5.6421 -4.9531 -4.9531 -4.6797 -4.6797 -4.4154 -4.4154 -4.2207 -4.2207 5.0570 5.0570 5.1565 5.1565 5.4585 5.4585 5.5896 5.5896 5.6733 5.6733 5.6821 5.6821 10.8815 10.8815 10.9710 10.9710 11.1011 11.1011 11.5877 11.5877 13.2235 13.2235 k = 0.3727 0.3727-0.0000 ( 6722 PWs) bands (ev): -44.3238 -44.3238 -44.3181 -44.3181 -20.6908 -20.6908 -20.6464 -20.6464 -16.4596 -16.4596 -16.4380 -16.4380 -16.2821 -16.2821 -16.2752 -16.2752 -16.1523 -16.1523 -16.1263 -16.1263 -8.6047 -8.6047 -8.5899 -8.5899 -5.7536 -5.7536 -5.6250 -5.6250 -4.9588 -4.9588 -4.6661 -4.6661 -4.4189 -4.4189 -4.2133 -4.2133 5.0541 5.0541 5.1670 5.1670 5.4467 5.4467 5.5926 5.5926 5.6740 5.6740 5.6868 5.6868 10.8556 10.8556 10.9395 10.9395 11.0914 11.0914 11.6387 11.6387 13.1317 13.1317 k = 0.3636 0.3636-0.0000 ( 6732 PWs) bands (ev): -44.3242 -44.3242 -44.3177 -44.3177 -20.6949 -20.6949 -20.6443 -20.6443 -16.4590 -16.4590 -16.4347 -16.4347 -16.2816 -16.2816 -16.2743 -16.2743 -16.1562 -16.1562 -16.1267 -16.1267 -8.6095 -8.6095 -8.5930 -8.5930 -5.7493 -5.7493 -5.6076 -5.6076 -4.9639 -4.9639 -4.6524 -4.6524 -4.4219 -4.4219 -4.2063 -4.2063 5.0515 5.0515 5.1780 5.1780 5.4354 5.4354 5.5959 5.5959 5.6737 5.6737 5.6918 5.6918 10.8259 10.8259 10.9119 10.9119 11.0799 11.0799 11.6896 11.6896 13.0403 13.0403 k = 0.3545 0.3545-0.0000 ( 6724 PWs) bands (ev): -44.3246 -44.3246 -44.3173 -44.3173 -20.6991 -20.6991 -20.6422 -20.6422 -16.4583 -16.4583 -16.4314 -16.4314 -16.2809 -16.2809 -16.2732 -16.2732 -16.1602 -16.1602 -16.1270 -16.1270 -8.6143 -8.6143 -8.5961 -8.5961 -5.7449 -5.7449 -5.5898 -5.5898 -4.9682 -4.9682 -4.6384 -4.6384 -4.4245 -4.4245 -4.1999 -4.1999 5.0494 5.0494 5.1897 5.1897 5.4247 5.4247 5.5994 5.5994 5.6722 5.6722 5.6970 5.6970 10.7897 10.7897 10.8913 10.8913 11.0663 11.0663 11.7398 11.7398 12.9497 12.9497 k = 0.3455 0.3455-0.0000 ( 6728 PWs) bands (ev): -44.3251 -44.3251 -44.3169 -44.3169 -20.7036 -20.7036 -20.6400 -20.6400 -16.4576 -16.4576 -16.4281 -16.4281 -16.2803 -16.2803 -16.2721 -16.2721 -16.1643 -16.1643 -16.1274 -16.1274 -8.6191 -8.6191 -8.5993 -8.5993 -5.7405 -5.7405 -5.5717 -5.5717 -4.9720 -4.9720 -4.6244 -4.6244 -4.4266 -4.4266 -4.1939 -4.1939 5.0477 5.0477 5.2020 5.2020 5.4149 5.4149 5.6031 5.6031 5.6693 5.6693 5.7025 5.7025 10.7467 10.7467 10.8786 10.8786 11.0502 11.0502 11.7885 11.7885 12.8606 12.8606 k = 0.3364 0.3364-0.0000 ( 6722 PWs) bands (ev): -44.3256 -44.3256 -44.3164 -44.3164 -20.7083 -20.7083 -20.6376 -20.6376 -16.4569 -16.4569 -16.4246 -16.4246 -16.2796 -16.2796 -16.2708 -16.2708 -16.1686 -16.1686 -16.1277 -16.1277 -8.6239 -8.6239 -8.6024 -8.6024 -5.7361 -5.7361 -5.5536 -5.5536 -4.9750 -4.9750 -4.6105 -4.6105 -4.4281 -4.4281 -4.1886 -4.1886 5.0465 5.0465 5.2148 5.2148 5.4061 5.4061 5.6072 5.6072 5.6650 5.6650 5.7082 5.7082 10.6981 10.6981 10.8730 10.8730 11.0311 11.0311 11.8346 11.8346 12.7739 12.7739 k = 0.3273 0.3273-0.0000 ( 6722 PWs) bands (ev): -44.3260 -44.3260 -44.3160 -44.3160 -20.7131 -20.7131 -20.6352 -20.6352 -16.4562 -16.4562 -16.4213 -16.4213 -16.2788 -16.2788 -16.2694 -16.2694 -16.1730 -16.1730 -16.1281 -16.1281 -8.6286 -8.6286 -8.6055 -8.6055 -5.7317 -5.7317 -5.5354 -5.5354 -4.9773 -4.9773 -4.5968 -4.5968 -4.4288 -4.4288 -4.1837 -4.1837 5.0461 5.0461 5.2282 5.2282 5.3983 5.3983 5.6115 5.6115 5.6593 5.6593 5.7141 5.7141 10.6450 10.6450 10.8736 10.8736 11.0089 11.0089 11.8774 11.8774 12.6903 12.6903 k = 0.3182 0.3182-0.0000 ( 6708 PWs) bands (ev): -44.3265 -44.3265 -44.3155 -44.3155 -20.7181 -20.7181 -20.6327 -20.6327 -16.4555 -16.4555 -16.4180 -16.4180 -16.2781 -16.2781 -16.2678 -16.2678 -16.1773 -16.1773 -16.1284 -16.1284 -8.6332 -8.6332 -8.6085 -8.6085 -5.7273 -5.7273 -5.5173 -5.5173 -4.9790 -4.9790 -4.5837 -4.5837 -4.4287 -4.4287 -4.1794 -4.1794 5.0464 5.0464 5.2420 5.2420 5.3917 5.3917 5.6161 5.6161 5.6521 5.6521 5.7202 5.7202 10.5881 10.5881 10.8799 10.8799 10.9829 10.9829 11.9156 11.9156 12.6109 12.6109 k = 0.3091 0.3091-0.0000 ( 6706 PWs) bands (ev): -44.3270 -44.3270 -44.3150 -44.3150 -20.7232 -20.7232 -20.6302 -20.6302 -16.4548 -16.4548 -16.4148 -16.4148 -16.2773 -16.2773 -16.2661 -16.2661 -16.1817 -16.1817 -16.1288 -16.1288 -8.6377 -8.6377 -8.6114 -8.6114 -5.7230 -5.7230 -5.4993 -5.4993 -4.9799 -4.9799 -4.5717 -4.5717 -4.4273 -4.4273 -4.1755 -4.1755 5.0476 5.0476 5.2563 5.2563 5.3862 5.3862 5.6207 5.6207 5.6435 5.6435 5.7265 5.7265 10.5279 10.5279 10.8912 10.8912 10.9534 10.9534 11.9479 11.9479 12.5371 12.5371 k = 0.3000 0.3000-0.0000 ( 6702 PWs) bands (ev): -44.3276 -44.3276 -44.3145 -44.3145 -20.7284 -20.7284 -20.6276 -20.6276 -16.4542 -16.4542 -16.4118 -16.4118 -16.2767 -16.2767 -16.2641 -16.2641 -16.1862 -16.1862 -16.1291 -16.1291 -8.6421 -8.6421 -8.6142 -8.6142 -5.7189 -5.7189 -5.4815 -5.4815 -4.9801 -4.9801 -4.5611 -4.5611 -4.4244 -4.4244 -4.1722 -4.1722 5.0497 5.0497 5.2710 5.2710 5.3821 5.3821 5.6248 5.6248 5.6343 5.6343 5.7329 5.7329 10.4646 10.4646 10.9024 10.9024 10.9246 10.9246 11.9723 11.9723 12.4708 12.4708 k = 0.2909 0.2909-0.0000 ( 6698 PWs) bands (ev): -44.3281 -44.3281 -44.3140 -44.3140 -20.7337 -20.7337 -20.6249 -20.6249 -16.4535 -16.4535 -16.4088 -16.4088 -16.2760 -16.2760 -16.2618 -16.2618 -16.1906 -16.1906 -16.1294 -16.1294 -8.6463 -8.6463 -8.6169 -8.6169 -5.7149 -5.7149 -5.4639 -5.4639 -4.9796 -4.9796 -4.5525 -4.5525 -4.4195 -4.4195 -4.1692 -4.1692 5.0528 5.0528 5.2862 5.2862 5.3792 5.3792 5.6198 5.6198 5.6330 5.6330 5.7394 5.7394 10.3985 10.3985 10.8749 10.8749 10.9351 10.9351 11.9866 11.9866 12.4143 12.4143 k = 0.2818 0.2818-0.0000 ( 6702 PWs) bands (ev): -44.3286 -44.3286 -44.3135 -44.3135 -20.7390 -20.7390 -20.6222 -20.6222 -16.4529 -16.4529 -16.4061 -16.4061 -16.2755 -16.2755 -16.2594 -16.2594 -16.1949 -16.1949 -16.1297 -16.1297 -8.6504 -8.6504 -8.6194 -8.6194 -5.7111 -5.7111 -5.4466 -5.4466 -4.9784 -4.9784 -4.5463 -4.5463 -4.4124 -4.4124 -4.1666 -4.1666 5.0571 5.0571 5.3016 5.3016 5.3776 5.3776 5.6074 5.6074 5.6380 5.6380 5.7461 5.7461 10.3298 10.3298 10.8313 10.8313 10.9617 10.9617 11.9882 11.9882 12.3703 12.3703 k = 0.2727 0.2727-0.0000 ( 6712 PWs) bands (ev): -44.3292 -44.3292 -44.3130 -44.3130 -20.7445 -20.7445 -20.6195 -20.6195 -16.4524 -16.4524 -16.4035 -16.4035 -16.2752 -16.2752 -16.2567 -16.2567 -16.1992 -16.1992 -16.1300 -16.1300 -8.6542 -8.6542 -8.6217 -8.6217 -5.7075 -5.7075 -5.4295 -5.4295 -4.9765 -4.9765 -4.5427 -4.5427 -4.4031 -4.4031 -4.1643 -4.1643 5.0625 5.0625 5.3173 5.3173 5.3773 5.3773 5.5933 5.5933 5.6438 5.6438 5.7527 5.7527 10.2586 10.2586 10.7820 10.7820 10.9940 10.9940 11.9757 11.9757 12.3406 12.3406 k = 0.2636 0.2636-0.0000 ( 6708 PWs) bands (ev): -44.3297 -44.3297 -44.3125 -44.3125 -20.7499 -20.7499 -20.6168 -20.6168 -16.4518 -16.4518 -16.4011 -16.4011 -16.2749 -16.2749 -16.2538 -16.2538 -16.2032 -16.2032 -16.1302 -16.1302 -8.6579 -8.6579 -8.6238 -8.6238 -5.7040 -5.7040 -5.4127 -5.4127 -4.9739 -4.9739 -4.5416 -4.5416 -4.3918 -4.3918 -4.1622 -4.1622 5.0692 5.0692 5.3332 5.3332 5.3784 5.3784 5.5780 5.5780 5.6499 5.6499 5.7594 5.7594 10.1851 10.1851 10.7277 10.7277 11.0311 11.0311 11.9504 11.9504 12.3239 12.3239 k = 0.2545 0.2545-0.0000 ( 6712 PWs) bands (ev): -44.3303 -44.3303 -44.3119 -44.3119 -20.7554 -20.7554 -20.6141 -20.6141 -16.4514 -16.4514 -16.3990 -16.3990 -16.2749 -16.2749 -16.2506 -16.2506 -16.2071 -16.2071 -16.1304 -16.1304 -8.6614 -8.6614 -8.6257 -8.6257 -5.7009 -5.7009 -5.3962 -5.3962 -4.9708 -4.9708 -4.5428 -4.5428 -4.3789 -4.3789 -4.1602 -4.1602 5.0772 5.0772 5.3492 5.3492 5.3809 5.3809 5.5618 5.5618 5.6562 5.6562 5.7660 5.7660 10.1093 10.1093 10.6687 10.6687 11.0727 11.0727 11.9162 11.9162 12.3170 12.3170 k = 0.2455 0.2455-0.0000 ( 6720 PWs) bands (ev): -44.3309 -44.3309 -44.3114 -44.3114 -20.7609 -20.7609 -20.6113 -20.6113 -16.4509 -16.4509 -16.3970 -16.3970 -16.2750 -16.2750 -16.2473 -16.2473 -16.2108 -16.2108 -16.1306 -16.1306 -8.6646 -8.6646 -8.6274 -8.6274 -5.6979 -5.6979 -5.3800 -5.3800 -4.9670 -4.9670 -4.5460 -4.5460 -4.3650 -4.3650 -4.1583 -4.1583 5.0865 5.0865 5.3648 5.3648 5.3852 5.3852 5.5448 5.5448 5.6628 5.6628 5.7725 5.7725 10.0315 10.0315 10.6056 10.6056 11.1182 11.1182 11.8774 11.8774 12.3160 12.3160 k = 0.2364 0.2364-0.0000 ( 6722 PWs) bands (ev): -44.3314 -44.3314 -44.3109 -44.3109 -20.7664 -20.7664 -20.6086 -20.6086 -16.4506 -16.4506 -16.3952 -16.3952 -16.2753 -16.2753 -16.2438 -16.2438 -16.2143 -16.2143 -16.1307 -16.1307 -8.6677 -8.6677 -8.6288 -8.6288 -5.6952 -5.6952 -5.3641 -5.3641 -4.9627 -4.9627 -4.5509 -4.5509 -4.3504 -4.3504 -4.1562 -4.1562 5.0972 5.0972 5.3785 5.3785 5.3925 5.3925 5.5274 5.5274 5.6697 5.6697 5.7788 5.7788 9.9518 9.9518 10.5389 10.5389 11.1675 11.1675 11.8374 11.8374 12.3178 12.3178 k = 0.2273 0.2273-0.0000 ( 6730 PWs) bands (ev): -44.3320 -44.3320 -44.3104 -44.3104 -20.7718 -20.7718 -20.6059 -20.6059 -16.4503 -16.4503 -16.3937 -16.3937 -16.2758 -16.2758 -16.2402 -16.2402 -16.2174 -16.2174 -16.1307 -16.1307 -8.6705 -8.6705 -8.6301 -8.6301 -5.6927 -5.6927 -5.3484 -5.3484 -4.9578 -4.9578 -4.5573 -4.5573 -4.3355 -4.3355 -4.1541 -4.1541 5.1092 5.1092 5.3884 5.3884 5.4049 5.4049 5.5098 5.5098 5.6766 5.6766 5.7848 5.7848 9.8705 9.8705 10.4692 10.4692 11.2200 11.2200 11.7985 11.7985 12.3207 12.3207 k = 0.2182 0.2182-0.0000 ( 6714 PWs) bands (ev): -44.3325 -44.3325 -44.3098 -44.3098 -20.7772 -20.7772 -20.6032 -20.6032 -16.4501 -16.4501 -16.3922 -16.3922 -16.2765 -16.2765 -16.2365 -16.2365 -16.2202 -16.2202 -16.1306 -16.1306 -8.6732 -8.6732 -8.6310 -8.6310 -5.6905 -5.6905 -5.3330 -5.3330 -4.9525 -4.9525 -4.5649 -4.5649 -4.3208 -4.3208 -4.1516 -4.1516 5.1224 5.1224 5.3962 5.3962 5.4204 5.4204 5.4924 5.4924 5.6838 5.6838 5.7905 5.7905 9.7876 9.7876 10.3972 10.3972 11.2753 11.2753 11.7623 11.7623 12.3237 12.3237 k = 0.2091 0.2091-0.0000 ( 6710 PWs) bands (ev): -44.3330 -44.3330 -44.3093 -44.3093 -20.7825 -20.7825 -20.6005 -20.6005 -16.4499 -16.4499 -16.3910 -16.3910 -16.2774 -16.2774 -16.2326 -16.2326 -16.2227 -16.2227 -16.1305 -16.1305 -8.6757 -8.6757 -8.6318 -8.6318 -5.6884 -5.6884 -5.3178 -5.3178 -4.9467 -4.9467 -4.5737 -4.5737 -4.3064 -4.3064 -4.1489 -4.1489 5.1366 5.1366 5.4039 5.4039 5.4369 5.4369 5.4755 5.4755 5.6911 5.6911 5.7958 5.7958 9.7033 9.7033 10.3235 10.3235 11.3329 11.3329 11.7297 11.7297 12.3262 12.3262 k = 0.2000 0.2000-0.0000 ( 6708 PWs) bands (ev): -44.3336 -44.3336 -44.3088 -44.3088 -20.7878 -20.7878 -20.5979 -20.5979 -16.4498 -16.4498 -16.3900 -16.3900 -16.2786 -16.2786 -16.2288 -16.2288 -16.2248 -16.2248 -16.1302 -16.1302 -8.6779 -8.6779 -8.6323 -8.6323 -5.6867 -5.6867 -5.3028 -5.3028 -4.9406 -4.9406 -4.5835 -4.5835 -4.2927 -4.2927 -4.1457 -4.1457 5.1515 5.1515 5.4121 5.4121 5.4537 5.4537 5.4597 5.4597 5.6984 5.6984 5.8006 5.8006 9.6180 9.6180 10.2488 10.2488 11.3923 11.3923 11.7015 11.7015 12.3281 12.3281 k = 0.1909 0.1909-0.0000 ( 6704 PWs) bands (ev): -44.3341 -44.3341 -44.3083 -44.3083 -20.7929 -20.7929 -20.5953 -20.5953 -16.4498 -16.4498 -16.3891 -16.3891 -16.2799 -16.2799 -16.2267 -16.2267 -16.2250 -16.2250 -16.1299 -16.1299 -8.6800 -8.6800 -8.6325 -8.6325 -5.6851 -5.6851 -5.2880 -5.2880 -4.9343 -4.9343 -4.5942 -4.5942 -4.2797 -4.2797 -4.1421 -4.1421 5.1666 5.1666 5.4208 5.4208 5.4456 5.4456 5.4706 5.4706 5.7059 5.7059 5.8048 5.8048 9.5317 9.5317 10.1737 10.1737 11.4529 11.4529 11.6780 11.6780 12.3293 12.3293 k = 0.1818 0.1818-0.0000 ( 6704 PWs) bands (ev): -44.3346 -44.3346 -44.3078 -44.3078 -20.7979 -20.7979 -20.5928 -20.5928 -16.4499 -16.4499 -16.3883 -16.3883 -16.2814 -16.2814 -16.2281 -16.2281 -16.2213 -16.2213 -16.1295 -16.1295 -8.6819 -8.6819 -8.6326 -8.6326 -5.6838 -5.6838 -5.2734 -5.2734 -4.9276 -4.9276 -4.6056 -4.6056 -4.2678 -4.2678 -4.1379 -4.1379 5.1811 5.1811 5.4290 5.4290 5.4353 5.4353 5.4875 5.4875 5.7134 5.7134 5.8084 5.8084 9.4448 9.4448 10.0987 10.0987 11.5141 11.5141 11.6596 11.6596 12.3301 12.3301 k = 0.1727 0.1727-0.0000 ( 6696 PWs) bands (ev): -44.3351 -44.3351 -44.3074 -44.3074 -20.8028 -20.8028 -20.5904 -20.5904 -16.4501 -16.4501 -16.3877 -16.3877 -16.2831 -16.2831 -16.2293 -16.2293 -16.2176 -16.2176 -16.1289 -16.1289 -8.6836 -8.6836 -8.6324 -8.6324 -5.6827 -5.6827 -5.2590 -5.2590 -4.9209 -4.9209 -4.6177 -4.6177 -4.2569 -4.2569 -4.1332 -4.1332 5.1939 5.1939 5.4254 5.4254 5.4412 5.4412 5.5042 5.5042 5.7208 5.7208 5.8112 5.8112 9.3575 9.3575 10.0244 10.0244 11.5753 11.5753 11.6465 11.6465 12.3305 12.3305 k = 0.1636 0.1636-0.0000 ( 6700 PWs) bands (ev): -44.3356 -44.3356 -44.3069 -44.3069 -20.8076 -20.8076 -20.5880 -20.5880 -16.4504 -16.4504 -16.3872 -16.3872 -16.2848 -16.2848 -16.2302 -16.2302 -16.2141 -16.2141 -16.1283 -16.1283 -8.6852 -8.6852 -8.6321 -8.6321 -5.6817 -5.6817 -5.2447 -5.2447 -4.9140 -4.9140 -4.6304 -4.6304 -4.2471 -4.2471 -4.1281 -4.1281 5.2038 5.2038 5.4230 5.4230 5.4516 5.4516 5.5208 5.5208 5.7282 5.7282 5.8132 5.8132 9.2701 9.2701 9.9512 9.9512 11.6336 11.6336 11.6411 11.6411 12.3308 12.3308 k = 0.1545 0.1545-0.0000 ( 6698 PWs) bands (ev): -44.3360 -44.3360 -44.3065 -44.3065 -20.8121 -20.8121 -20.5857 -20.5857 -16.4507 -16.4507 -16.3868 -16.3868 -16.2866 -16.2866 -16.2309 -16.2309 -16.2108 -16.2108 -16.1275 -16.1275 -8.6866 -8.6866 -8.6316 -8.6316 -5.6810 -5.6810 -5.2305 -5.2305 -4.9071 -4.9071 -4.6436 -4.6436 -4.2385 -4.2385 -4.1226 -4.1226 5.2095 5.2095 5.4268 5.4268 5.4626 5.4626 5.5371 5.5371 5.7356 5.7356 5.8143 5.8143 9.1829 9.1829 9.8796 9.8796 11.6353 11.6353 11.6963 11.6963 12.3314 12.3314 k = 0.1455 0.1455-0.0000 ( 6700 PWs) bands (ev): -44.3365 -44.3365 -44.3060 -44.3060 -20.8165 -20.8165 -20.5835 -20.5835 -16.4511 -16.4511 -16.3865 -16.3865 -16.2885 -16.2885 -16.2314 -16.2314 -16.2076 -16.2076 -16.1266 -16.1266 -8.6879 -8.6879 -8.6309 -8.6309 -5.6804 -5.6804 -5.2164 -5.2164 -4.9004 -4.9004 -4.6571 -4.6571 -4.2309 -4.2309 -4.1167 -4.1167 5.2106 5.2106 5.4373 5.4373 5.4742 5.4742 5.5530 5.5530 5.7428 5.7428 5.8146 5.8146 9.0962 9.0962 9.8101 9.8101 11.6377 11.6377 11.7543 11.7543 12.3324 12.3324 k = 0.1364 0.1364-0.0000 ( 6700 PWs) bands (ev): -44.3369 -44.3369 -44.3056 -44.3056 -20.8207 -20.8207 -20.5814 -20.5814 -16.4515 -16.4515 -16.3863 -16.3863 -16.2903 -16.2903 -16.2317 -16.2317 -16.2047 -16.2047 -16.1256 -16.1256 -8.6890 -8.6890 -8.6301 -8.6301 -5.6800 -5.6800 -5.2024 -5.2024 -4.8938 -4.8938 -4.6709 -4.6709 -4.2243 -4.2243 -4.1107 -4.1107 5.2074 5.2074 5.4541 5.4541 5.4863 5.4863 5.5686 5.5686 5.7498 5.7498 5.8139 5.8139 9.0105 9.0105 9.7429 9.7429 11.6449 11.6449 11.8102 11.8102 12.3343 12.3343 k = 0.1273 0.1273-0.0000 ( 6702 PWs) bands (ev): -44.3373 -44.3373 -44.3052 -44.3052 -20.8247 -20.8247 -20.5794 -20.5794 -16.4520 -16.4520 -16.3861 -16.3861 -16.2920 -16.2920 -16.2319 -16.2319 -16.2020 -16.2020 -16.1245 -16.1245 -8.6901 -8.6901 -8.6292 -8.6292 -5.6798 -5.6798 -5.1885 -5.1885 -4.8874 -4.8874 -4.6847 -4.6847 -4.2185 -4.2185 -4.1046 -4.1046 5.2010 5.2010 5.4757 5.4757 5.4993 5.4993 5.5837 5.5837 5.7565 5.7565 5.8123 5.8123 8.9260 8.9260 9.6785 9.6785 11.6566 11.6566 11.8634 11.8634 12.3374 12.3374 k = 0.1182 0.1182-0.0000 ( 6706 PWs) bands (ev): -44.3377 -44.3377 -44.3049 -44.3049 -20.8285 -20.8285 -20.5775 -20.5775 -16.4526 -16.4526 -16.3860 -16.3860 -16.2937 -16.2937 -16.2321 -16.2321 -16.1995 -16.1995 -16.1234 -16.1234 -8.6910 -8.6910 -8.6282 -8.6282 -5.6797 -5.6797 -5.1747 -5.1747 -4.8815 -4.8815 -4.6986 -4.6986 -4.2136 -4.2136 -4.0987 -4.0987 5.1924 5.1924 5.4992 5.4992 5.5147 5.5147 5.5982 5.5982 5.7628 5.7628 5.8098 5.8098 8.8432 8.8432 9.6171 9.6171 11.6723 11.6723 11.9136 11.9136 12.3420 12.3420 k = 0.1091 0.1091-0.0000 ( 6694 PWs) bands (ev): -44.3381 -44.3381 -44.3045 -44.3045 -20.8321 -20.8321 -20.5758 -20.5758 -16.4531 -16.4531 -16.3859 -16.3859 -16.2952 -16.2952 -16.2320 -16.2320 -16.1972 -16.1972 -16.1221 -16.1221 -8.6918 -8.6918 -8.6271 -8.6271 -5.6797 -5.6797 -5.1610 -5.1610 -4.8760 -4.8760 -4.7122 -4.7122 -4.2092 -4.2092 -4.0930 -4.0930 5.1826 5.1826 5.5183 5.5183 5.5376 5.5376 5.6121 5.6121 5.7686 5.7686 5.8066 5.8066 8.7627 8.7627 9.5591 9.5591 11.6915 11.6915 11.9602 11.9602 12.3488 12.3488 k = 0.1000 0.1000-0.0000 ( 6686 PWs) bands (ev): -44.3384 -44.3384 -44.3042 -44.3042 -20.8354 -20.8354 -20.5741 -20.5741 -16.4537 -16.4537 -16.3858 -16.3858 -16.2967 -16.2967 -16.2320 -16.2320 -16.1952 -16.1952 -16.1208 -16.1208 -8.6925 -8.6925 -8.6260 -8.6260 -5.6798 -5.6798 -5.1475 -5.1475 -4.8712 -4.8712 -4.7255 -4.7255 -4.2055 -4.2055 -4.0876 -4.0876 5.1723 5.1723 5.5330 5.5330 5.5670 5.5670 5.6253 5.6253 5.7736 5.7736 5.8030 5.8030 8.6848 8.6848 9.5047 9.5047 11.7136 11.7136 12.0032 12.0032 12.3581 12.3581 k = 0.0909 0.0909-0.0000 ( 6690 PWs) bands (ev): -44.3387 -44.3387 -44.3039 -44.3039 -20.8384 -20.8384 -20.5726 -20.5726 -16.4543 -16.4543 -16.3858 -16.3858 -16.2980 -16.2980 -16.2319 -16.2319 -16.1934 -16.1934 -16.1196 -16.1196 -8.6931 -8.6931 -8.6249 -8.6249 -5.6800 -5.6800 -5.1341 -5.1341 -4.8673 -4.8673 -4.7381 -4.7381 -4.2022 -4.2022 -4.0826 -4.0826 5.1620 5.1620 5.5466 5.5466 5.5985 5.5985 5.6376 5.6376 5.7770 5.7770 5.7997 5.7997 8.6103 8.6103 9.4541 9.4541 11.7376 11.7376 12.0422 12.0422 12.3707 12.3707 k = 0.0818 0.0818-0.0000 ( 6694 PWs) bands (ev): -44.3390 -44.3390 -44.3036 -44.3036 -20.8412 -20.8412 -20.5712 -20.5712 -16.4549 -16.4549 -16.3858 -16.3858 -16.2993 -16.2993 -16.2318 -16.2318 -16.1919 -16.1919 -16.1183 -16.1183 -8.6937 -8.6937 -8.6238 -8.6238 -5.6803 -5.6803 -5.1210 -5.1210 -4.8644 -4.8644 -4.7499 -4.7499 -4.1994 -4.1994 -4.0780 -4.0780 5.1520 5.1520 5.5601 5.5601 5.6304 5.6304 5.6491 5.6491 5.7772 5.7772 5.7982 5.7982 8.5397 8.5397 9.4076 9.4076 11.7628 11.7628 12.0771 12.0771 12.3871 12.3871 k = 0.0727 0.0727-0.0000 ( 6695 PWs) bands (ev): -44.3393 -44.3393 -44.3034 -44.3034 -20.8437 -20.8437 -20.5699 -20.5699 -16.4555 -16.4555 -16.3858 -16.3858 -16.3004 -16.3004 -16.2317 -16.2317 -16.1906 -16.1906 -16.1171 -16.1171 -8.6941 -8.6941 -8.6227 -8.6227 -5.6806 -5.6806 -5.1082 -5.1082 -4.8628 -4.8628 -4.7605 -4.7605 -4.1969 -4.1969 -4.0739 -4.0739 5.1427 5.1427 5.5736 5.5736 5.6592 5.6592 5.6622 5.6622 5.7736 5.7736 5.7996 5.7996 8.4736 8.4736 9.3654 9.3654 11.7879 11.7879 12.1079 12.1079 12.4079 12.4079 k = 0.0636 0.0636-0.0000 ( 6695 PWs) bands (ev): -44.3395 -44.3395 -44.3032 -44.3032 -20.8460 -20.8460 -20.5688 -20.5688 -16.4561 -16.4561 -16.3858 -16.3858 -16.3014 -16.3014 -16.2316 -16.2316 -16.1894 -16.1894 -16.1159 -16.1159 -8.6945 -8.6945 -8.6217 -8.6217 -5.6810 -5.6810 -5.0957 -5.0957 -4.8628 -4.8628 -4.7696 -4.7696 -4.1948 -4.1948 -4.0703 -4.0703 5.1341 5.1341 5.5870 5.5870 5.6688 5.6688 5.6917 5.6917 5.7675 5.7675 5.8025 5.8025 8.4129 8.4129 9.3277 9.3277 11.8122 11.8122 12.1347 12.1347 12.4338 12.4338 k = 0.0545 0.0545-0.0000 ( 6691 PWs) bands (ev): -44.3397 -44.3397 -44.3030 -44.3030 -20.8479 -20.8479 -20.5678 -20.5678 -16.4566 -16.4566 -16.3858 -16.3858 -16.3022 -16.3022 -16.2315 -16.2315 -16.1884 -16.1884 -16.1148 -16.1148 -8.6948 -8.6948 -8.6208 -8.6208 -5.6813 -5.6813 -5.0839 -5.0839 -4.8644 -4.8644 -4.7768 -4.7768 -4.1931 -4.1931 -4.0671 -4.0671 5.1265 5.1265 5.6004 5.6004 5.6770 5.6770 5.7186 5.7186 5.7607 5.7607 5.8059 5.8059 8.3581 8.3581 9.2947 9.2947 11.8346 11.8346 12.1575 12.1575 12.4651 12.4651 k = 0.0455 0.0455-0.0000 ( 6687 PWs) bands (ev): -44.3399 -44.3399 -44.3028 -44.3028 -20.8496 -20.8496 -20.5670 -20.5670 -16.4570 -16.4570 -16.3858 -16.3858 -16.3029 -16.3029 -16.2314 -16.2314 -16.1876 -16.1876 -16.1138 -16.1138 -8.6951 -8.6951 -8.6200 -8.6200 -5.6816 -5.6816 -5.0729 -5.0729 -4.8675 -4.8675 -4.7822 -4.7822 -4.1916 -4.1916 -4.0645 -4.0645 5.1199 5.1199 5.6137 5.6137 5.6838 5.6838 5.7375 5.7375 5.7581 5.7581 5.8095 5.8095 8.3101 8.3101 9.2665 9.2665 11.8543 11.8543 12.1764 12.1764 12.5019 12.5019 k = 0.0364 0.0364-0.0000 ( 6703 PWs) bands (ev): -44.3400 -44.3400 -44.3027 -44.3027 -20.8510 -20.8510 -20.5663 -20.5663 -16.4574 -16.4574 -16.3859 -16.3859 -16.3035 -16.3035 -16.2313 -16.2313 -16.1871 -16.1871 -16.1131 -16.1131 -8.6953 -8.6953 -8.6193 -8.6193 -5.6819 -5.6819 -5.0629 -5.0629 -4.8717 -4.8717 -4.7858 -4.7858 -4.1904 -4.1904 -4.0624 -4.0624 5.1144 5.1144 5.6268 5.6268 5.6890 5.6890 5.7366 5.7366 5.7709 5.7709 5.8131 5.8131 8.2696 8.2696 9.2432 9.2432 11.8709 11.8709 12.1916 12.1916 12.5186 12.5186 k = 0.0273 0.0273-0.0000 ( 6701 PWs) bands (ev): -44.3401 -44.3401 -44.3026 -44.3026 -20.8520 -20.8520 -20.5658 -20.5658 -16.4577 -16.4577 -16.3859 -16.3859 -16.3040 -16.3040 -16.2312 -16.2312 -16.1866 -16.1866 -16.1125 -16.1125 -8.6955 -8.6955 -8.6188 -8.6188 -5.6822 -5.6822 -5.0544 -5.0544 -4.8763 -4.8763 -4.7881 -4.7881 -4.1895 -4.1895 -4.0607 -4.0607 5.1100 5.1100 5.6395 5.6395 5.6922 5.6922 5.7293 5.7293 5.7855 5.7855 5.8172 5.8172 8.2372 8.2372 9.2250 9.2250 11.8839 11.8839 12.2032 12.2032 12.5087 12.5087 k = 0.0182 0.0182-0.0000 ( 6703 PWs) bands (ev): -44.3402 -44.3402 -44.3025 -44.3025 -20.8528 -20.8528 -20.5654 -20.5654 -16.4579 -16.4579 -16.3859 -16.3859 -16.3043 -16.3043 -16.2311 -16.2311 -16.1863 -16.1863 -16.1120 -16.1120 -8.6956 -8.6956 -8.6184 -8.6184 -5.6824 -5.6824 -5.0478 -5.0478 -4.8804 -4.8804 -4.7894 -4.7894 -4.1888 -4.1888 -4.0596 -4.0596 5.1069 5.1069 5.6515 5.6515 5.6925 5.6925 5.7226 5.7226 5.7955 5.7955 5.8216 5.8216 8.2136 8.2136 9.2119 9.2119 11.8932 11.8932 12.2114 12.2114 12.5016 12.5016 k = 0.0091 0.0091-0.0000 ( 6699 PWs) bands (ev): -44.3403 -44.3403 -44.3024 -44.3024 -20.8533 -20.8533 -20.5652 -20.5652 -16.4580 -16.4580 -16.3860 -16.3860 -16.3044 -16.3044 -16.2310 -16.2310 -16.1861 -16.1861 -16.1118 -16.1118 -8.6957 -8.6957 -8.6181 -8.6181 -5.6825 -5.6825 -5.0436 -5.0436 -4.8832 -4.8832 -4.7901 -4.7901 -4.1884 -4.1884 -4.0589 -4.0589 5.1051 5.1051 5.6617 5.6617 5.6896 5.6896 5.7185 5.7185 5.8006 5.8006 5.8254 5.8254 8.1993 8.1993 9.2041 9.2041 11.8988 11.8988 12.2163 12.2163 12.4974 12.4974 k = 0.0000 0.0000 0.0000 ( 6691 PWs) bands (ev): -44.3403 -44.3403 -44.3024 -44.3024 -20.8534 -20.8534 -20.5651 -20.5651 -16.4581 -16.4581 -16.3859 -16.3859 -16.3045 -16.3045 -16.2311 -16.2311 -16.1860 -16.1860 -16.1116 -16.1116 -8.6957 -8.6957 -8.6181 -8.6181 -5.6825 -5.6825 -5.0422 -5.0422 -4.8842 -4.8842 -4.7903 -4.7903 -4.1883 -4.1883 -4.0587 -4.0587 5.1044 5.1044 5.6667 5.6667 5.6869 5.6869 5.7173 5.7173 5.8021 5.8021 5.8270 5.8270 8.1945 8.1945 9.2015 9.2015 11.9007 11.9007 12.2179 12.2179 12.4959 12.4959 k = 0.0000 0.0000 0.0000 ( 6691 PWs) bands (ev): -44.3403 -44.3403 -44.3024 -44.3024 -20.8534 -20.8534 -20.5651 -20.5651 -16.4581 -16.4581 -16.3859 -16.3859 -16.3045 -16.3045 -16.2311 -16.2311 -16.1860 -16.1860 -16.1116 -16.1116 -8.6957 -8.6957 -8.6181 -8.6181 -5.6825 -5.6825 -5.0422 -5.0422 -4.8842 -4.8842 -4.7903 -4.7903 -4.1883 -4.1883 -4.0587 -4.0587 5.1044 5.1044 5.6667 5.6667 5.6869 5.6869 5.7173 5.7173 5.8021 5.8021 5.8270 5.8270 8.1945 8.1945 9.2015 9.2015 11.9007 11.9007 12.2179 12.2179 12.4959 12.4959 k = 0.0000 0.0000 0.0125 ( 6688 PWs) bands (ev): -44.3403 -44.3403 -44.3024 -44.3024 -20.8534 -20.8534 -20.5651 -20.5651 -16.4580 -16.4580 -16.3860 -16.3860 -16.3044 -16.3044 -16.2310 -16.2310 -16.1860 -16.1860 -16.1116 -16.1116 -8.6966 -8.6966 -8.6173 -8.6173 -5.6824 -5.6824 -5.0421 -5.0421 -4.8840 -4.8840 -4.7903 -4.7903 -4.1882 -4.1882 -4.0587 -4.0587 5.1024 5.1024 5.6648 5.6648 5.6863 5.6863 5.7163 5.7163 5.8029 5.8029 5.8279 5.8279 8.1989 8.1989 9.2019 9.2019 11.8975 11.8975 12.2124 12.2124 12.4943 12.4943 k = 0.0000 0.0000 0.0251 ( 6696 PWs) bands (ev): -44.3403 -44.3403 -44.3024 -44.3024 -20.8535 -20.8535 -20.5650 -20.5650 -16.4580 -16.4580 -16.3859 -16.3859 -16.3045 -16.3045 -16.2311 -16.2311 -16.1860 -16.1860 -16.1116 -16.1116 -8.6991 -8.6991 -8.6153 -8.6153 -5.6822 -5.6822 -5.0417 -5.0417 -4.8836 -4.8836 -4.7903 -4.7903 -4.1877 -4.1877 -4.0587 -4.0587 5.0964 5.0964 5.6593 5.6593 5.6843 5.6843 5.7136 5.7136 5.8051 5.8051 5.8307 5.8307 8.2121 8.2121 9.2031 9.2031 11.8869 11.8869 12.1995 12.1995 12.4893 12.4893 k = 0.0000 0.0000 0.0376 ( 6696 PWs) bands (ev): -44.3403 -44.3403 -44.3024 -44.3024 -20.8535 -20.8535 -20.5650 -20.5650 -16.4580 -16.4580 -16.3859 -16.3859 -16.3045 -16.3045 -16.2311 -16.2311 -16.1860 -16.1860 -16.1116 -16.1116 -8.7030 -8.7030 -8.6121 -8.6121 -5.6818 -5.6818 -5.0412 -5.0412 -4.8830 -4.8830 -4.7903 -4.7903 -4.1870 -4.1870 -4.0587 -4.0587 5.0865 5.0865 5.6506 5.6506 5.6809 5.6809 5.7093 5.7093 5.8086 5.8086 5.8349 5.8349 8.2339 8.2339 9.2052 9.2052 11.8658 11.8658 12.1870 12.1870 12.4811 12.4811 k = 0.0000 0.0000 0.0501 ( 6688 PWs) bands (ev): -44.3403 -44.3403 -44.3024 -44.3024 -20.8536 -20.8536 -20.5649 -20.5649 -16.4580 -16.4580 -16.3859 -16.3859 -16.3045 -16.3045 -16.2311 -16.2311 -16.1860 -16.1860 -16.1116 -16.1116 -8.7080 -8.7080 -8.6082 -8.6082 -5.6813 -5.6813 -5.0404 -5.0404 -4.8820 -4.8820 -4.7903 -4.7903 -4.1860 -4.1860 -4.0587 -4.0587 5.0730 5.0730 5.6392 5.6392 5.6761 5.6761 5.7039 5.7039 5.8132 5.8132 5.8404 5.8404 8.2638 8.2638 9.2080 9.2080 11.8313 11.8313 12.1825 12.1825 12.4698 12.4698 k = 0.0000 0.0000 0.0626 ( 6692 PWs) bands (ev): -44.3403 -44.3403 -44.3024 -44.3024 -20.8537 -20.8537 -20.5648 -20.5648 -16.4581 -16.4581 -16.3858 -16.3858 -16.3045 -16.3045 -16.2312 -16.2312 -16.1859 -16.1859 -16.1115 -16.1115 -8.7138 -8.7138 -8.6037 -8.6037 -5.6807 -5.6807 -5.0394 -5.0394 -4.8809 -4.8809 -4.7903 -4.7903 -4.1848 -4.1848 -4.0587 -4.0587 5.0560 5.0560 5.6252 5.6252 5.6702 5.6702 5.6976 5.6976 5.8187 5.8187 5.8466 5.8466 8.3014 8.3014 9.2116 9.2116 11.7832 11.7832 12.1895 12.1895 12.4557 12.4557 k = 0.0000 0.0000 0.0752 ( 6700 PWs) bands (ev): -44.3403 -44.3403 -44.3025 -44.3025 -20.8539 -20.8539 -20.5646 -20.5646 -16.4581 -16.4581 -16.3858 -16.3858 -16.3045 -16.3045 -16.2312 -16.2312 -16.1859 -16.1859 -16.1115 -16.1115 -8.7200 -8.7200 -8.5990 -8.5990 -5.6799 -5.6799 -5.0383 -5.0383 -4.8794 -4.8794 -4.7903 -4.7903 -4.1833 -4.1833 -4.0587 -4.0587 5.0360 5.0360 5.6091 5.6091 5.6636 5.6636 5.6907 5.6907 5.8248 5.8248 5.8535 5.8535 8.3462 8.3462 9.2159 9.2159 11.7238 11.7238 12.2078 12.2078 12.4390 12.4390 k = 0.0000 0.0000 0.0877 ( 6712 PWs) bands (ev): -44.3403 -44.3403 -44.3025 -44.3025 -20.8540 -20.8540 -20.5644 -20.5644 -16.4581 -16.4581 -16.3858 -16.3858 -16.3046 -16.3046 -16.2313 -16.2313 -16.1859 -16.1859 -16.1116 -16.1116 -8.7266 -8.7266 -8.5942 -8.5942 -5.6790 -5.6790 -5.0370 -5.0370 -4.8778 -4.8778 -4.7903 -4.7903 -4.1816 -4.1816 -4.0587 -4.0587 5.0133 5.0133 5.5911 5.5911 5.6565 5.6565 5.6835 5.6835 5.8314 5.8314 5.8606 5.8606 8.3974 8.3974 9.2208 9.2208 11.6560 11.6560 12.2355 12.2355 12.4201 12.4201 k = 0.0000 0.0000 0.1002 ( 6724 PWs) bands (ev): -44.3403 -44.3403 -44.3025 -44.3025 -20.8542 -20.8542 -20.5643 -20.5643 -16.4582 -16.4582 -16.3857 -16.3857 -16.3046 -16.3046 -16.2314 -16.2314 -16.1859 -16.1859 -16.1116 -16.1116 -8.7334 -8.7334 -8.5894 -8.5894 -5.6781 -5.6781 -5.0356 -5.0356 -4.8760 -4.8760 -4.7904 -4.7904 -4.1797 -4.1797 -4.0587 -4.0587 4.9884 4.9884 5.5716 5.5716 5.6492 5.6492 5.6761 5.6761 5.8381 5.8381 5.8679 5.8679 8.4546 8.4546 9.2264 9.2264 11.5822 11.5822 12.2707 12.2707 12.3992 12.3992 k = 0.0000 0.0000 0.1128 ( 6728 PWs) bands (ev): -44.3403 -44.3403 -44.3025 -44.3025 -20.8543 -20.8543 -20.5641 -20.5641 -16.4582 -16.4582 -16.3857 -16.3857 -16.3046 -16.3046 -16.2314 -16.2314 -16.1859 -16.1859 -16.1116 -16.1116 -8.7403 -8.7403 -8.5848 -8.5848 -5.6770 -5.6770 -5.0340 -5.0340 -4.8741 -4.8741 -4.7904 -4.7904 -4.1776 -4.1776 -4.0587 -4.0587 4.9617 4.9617 5.5512 5.5512 5.6419 5.6419 5.6687 5.6687 5.8449 5.8449 5.8752 5.8752 8.5169 8.5169 9.2324 9.2324 11.5040 11.5040 12.3118 12.3118 12.3767 12.3767 k = 0.0000 0.0000 0.1253 ( 6712 PWs) bands (ev): -44.3402 -44.3402 -44.3025 -44.3025 -20.8545 -20.8545 -20.5639 -20.5639 -16.4582 -16.4582 -16.3856 -16.3856 -16.3046 -16.3046 -16.2314 -16.2314 -16.1858 -16.1858 -16.1115 -16.1115 -8.7471 -8.7471 -8.5802 -8.5802 -5.6759 -5.6759 -5.0324 -5.0324 -4.8720 -4.8720 -4.7904 -4.7904 -4.1754 -4.1754 -4.0587 -4.0587 4.9338 4.9338 5.5300 5.5300 5.6346 5.6346 5.6614 5.6614 5.8518 5.8518 5.8825 5.8825 8.5838 8.5838 9.2388 9.2388 11.4229 11.4229 12.3530 12.3530 12.3575 12.3575 k = 0.0000 0.0000 0.1378 ( 6712 PWs) bands (ev): -44.3402 -44.3402 -44.3025 -44.3025 -20.8547 -20.8547 -20.5636 -20.5636 -16.4582 -16.4582 -16.3856 -16.3856 -16.3046 -16.3046 -16.2314 -16.2314 -16.1858 -16.1858 -16.1115 -16.1115 -8.7537 -8.7537 -8.5759 -8.5759 -5.6748 -5.6748 -5.0307 -5.0307 -4.8698 -4.8698 -4.7904 -4.7904 -4.1731 -4.1731 -4.0587 -4.0587 4.9050 4.9050 5.5086 5.5086 5.6276 5.6276 5.6543 5.6543 5.8584 5.8584 5.8895 5.8895 8.6547 8.6547 9.2456 9.2456 11.3394 11.3394 12.3285 12.3285 12.4067 12.4067 k = 0.0000 0.0000 0.1503 ( 6712 PWs) bands (ev): -44.3402 -44.3402 -44.3025 -44.3025 -20.8549 -20.8549 -20.5634 -20.5634 -16.4582 -16.4582 -16.3855 -16.3855 -16.3046 -16.3046 -16.2314 -16.2314 -16.1858 -16.1858 -16.1115 -16.1115 -8.7602 -8.7602 -8.5719 -8.5719 -5.6736 -5.6736 -5.0290 -5.0290 -4.8676 -4.8676 -4.7904 -4.7904 -4.1707 -4.1707 -4.0587 -4.0587 4.8760 4.8760 5.4871 5.4871 5.6208 5.6208 5.6474 5.6474 5.8649 5.8649 5.8964 5.8964 8.7289 8.7289 9.2526 9.2526 11.2544 11.2544 12.3037 12.3037 12.4583 12.4583 k = 0.0000 0.0000 0.1629 ( 6700 PWs) bands (ev): -44.3403 -44.3403 -44.3025 -44.3025 -20.8551 -20.8551 -20.5632 -20.5632 -16.4581 -16.4581 -16.3856 -16.3856 -16.3045 -16.3045 -16.2313 -16.2313 -16.1858 -16.1858 -16.1115 -16.1115 -8.7665 -8.7665 -8.5681 -8.5681 -5.6724 -5.6724 -5.0273 -5.0273 -4.8653 -4.8653 -4.7905 -4.7905 -4.1684 -4.1684 -4.0587 -4.0587 4.8471 4.8471 5.4660 5.4660 5.6143 5.6143 5.6409 5.6409 5.8711 5.8711 5.9029 5.9029 8.8059 8.8059 9.2598 9.2598 11.1683 11.1683 12.2787 12.2787 12.5113 12.5113 k = 0.0000 0.0000 0.1754 ( 6700 PWs) bands (ev): -44.3403 -44.3403 -44.3025 -44.3025 -20.8553 -20.8553 -20.5630 -20.5630 -16.4581 -16.4581 -16.3855 -16.3855 -16.3045 -16.3045 -16.2313 -16.2313 -16.1858 -16.1858 -16.1115 -16.1115 -8.7724 -8.7724 -8.5646 -8.5646 -5.6712 -5.6712 -5.0256 -5.0256 -4.8631 -4.8631 -4.7905 -4.7905 -4.1660 -4.1660 -4.0587 -4.0587 4.8188 4.8188 5.4455 5.4455 5.6082 5.6082 5.6347 5.6347 5.8769 5.8769 5.9090 5.9090 8.8851 8.8851 9.2669 9.2669 11.0814 11.0814 12.2542 12.2542 12.5647 12.5647 k = 0.0000 0.0000 0.1879 ( 6700 PWs) bands (ev): -44.3403 -44.3403 -44.3025 -44.3025 -20.8555 -20.8555 -20.5628 -20.5628 -16.4581 -16.4581 -16.3855 -16.3855 -16.3045 -16.3045 -16.2313 -16.2313 -16.1858 -16.1858 -16.1115 -16.1115 -8.7780 -8.7780 -8.5613 -8.5613 -5.6701 -5.6701 -5.0239 -5.0239 -4.8608 -4.8608 -4.7905 -4.7905 -4.1636 -4.1636 -4.0587 -4.0587 4.7916 4.7916 5.4260 5.4260 5.6025 5.6025 5.6289 5.6289 5.8824 5.8824 5.9147 5.9147 8.9658 8.9658 9.2740 9.2740 10.9944 10.9944 12.2304 12.2304 12.6175 12.6175 k = 0.0000 0.0000 0.2005 ( 6692 PWs) bands (ev): -44.3402 -44.3402 -44.3025 -44.3025 -20.8557 -20.8557 -20.5625 -20.5625 -16.4581 -16.4581 -16.3854 -16.3854 -16.3045 -16.3045 -16.2313 -16.2313 -16.1858 -16.1858 -16.1115 -16.1115 -8.7832 -8.7832 -8.5584 -8.5584 -5.6690 -5.6690 -5.0223 -5.0223 -4.8587 -4.8587 -4.7905 -4.7905 -4.1614 -4.1614 -4.0587 -4.0587 4.7658 4.7658 5.4075 5.4075 5.5972 5.5972 5.6235 5.6235 5.8875 5.8875 5.9200 5.9200 9.0476 9.0476 9.2808 9.2808 10.9074 10.9074 12.2077 12.2077 12.6689 12.6689 k = 0.0000 0.0000 0.2130 ( 6672 PWs) bands (ev): -44.3402 -44.3402 -44.3024 -44.3024 -20.8559 -20.8559 -20.5623 -20.5623 -16.4580 -16.4580 -16.3853 -16.3853 -16.3044 -16.3044 -16.2313 -16.2313 -16.1857 -16.1857 -16.1115 -16.1115 -8.7879 -8.7879 -8.5558 -8.5558 -5.6680 -5.6680 -5.0208 -5.0208 -4.8567 -4.8567 -4.7905 -4.7905 -4.1593 -4.1593 -4.0587 -4.0587 4.7419 4.7419 5.3905 5.3905 5.5924 5.5924 5.6187 5.6187 5.8921 5.8921 5.9248 5.9248 9.1296 9.1296 9.2873 9.2873 10.8212 10.8212 12.1864 12.1864 12.7179 12.7179 k = 0.0000 0.0000 0.2255 ( 6676 PWs) bands (ev): -44.3402 -44.3402 -44.3024 -44.3024 -20.8560 -20.8560 -20.5622 -20.5622 -16.4580 -16.4580 -16.3853 -16.3853 -16.3044 -16.3044 -16.2313 -16.2313 -16.1857 -16.1857 -16.1115 -16.1115 -8.7922 -8.7922 -8.5535 -8.5535 -5.6671 -5.6671 -5.0195 -5.0195 -4.8548 -4.8548 -4.7906 -4.7906 -4.1573 -4.1573 -4.0587 -4.0587 4.7199 4.7199 5.3749 5.3749 5.5881 5.5881 5.6143 5.6143 5.8962 5.8962 5.9291 5.9291 9.2112 9.2112 9.2934 9.2934 10.7363 10.7363 12.1668 12.1668 12.7635 12.7635 k = 0.0000 0.0000 0.2380 ( 6668 PWs) bands (ev): -44.3402 -44.3402 -44.3024 -44.3024 -20.8562 -20.8562 -20.5620 -20.5620 -16.4580 -16.4580 -16.3853 -16.3853 -16.3044 -16.3044 -16.2313 -16.2313 -16.1857 -16.1857 -16.1115 -16.1115 -8.7959 -8.7959 -8.5516 -8.5516 -5.6662 -5.6662 -5.0183 -5.0183 -4.8531 -4.8531 -4.7906 -4.7906 -4.1555 -4.1555 -4.0587 -4.0587 4.7004 4.7004 5.3611 5.3611 5.5844 5.5844 5.6105 5.6105 5.8998 5.8998 5.9329 5.9329 9.2914 9.2914 9.2989 9.2989 10.6536 10.6536 12.1492 12.1492 12.8049 12.8049 k = 0.0000 0.0000 0.2506 ( 6656 PWs) bands (ev): -44.3402 -44.3402 -44.3024 -44.3024 -20.8563 -20.8563 -20.5619 -20.5619 -16.4580 -16.4580 -16.3852 -16.3852 -16.3044 -16.3044 -16.2313 -16.2313 -16.1856 -16.1856 -16.1114 -16.1114 -8.7992 -8.7992 -8.5499 -8.5499 -5.6655 -5.6655 -5.0172 -5.0172 -4.8516 -4.8516 -4.7906 -4.7906 -4.1540 -4.1540 -4.0587 -4.0587 4.6835 4.6835 5.3492 5.3492 5.5812 5.5812 5.6073 5.6073 5.9030 5.9030 5.9362 5.9362 9.3037 9.3037 9.3686 9.3686 10.5743 10.5743 12.1339 12.1339 12.8414 12.8414 k = 0.0000 0.0000 0.2631 ( 6660 PWs) bands (ev): -44.3402 -44.3402 -44.3024 -44.3024 -20.8564 -20.8564 -20.5617 -20.5617 -16.4580 -16.4580 -16.3851 -16.3851 -16.3044 -16.3044 -16.2313 -16.2313 -16.1856 -16.1856 -16.1114 -16.1114 -8.8018 -8.8018 -8.5485 -8.5485 -5.6649 -5.6649 -5.0163 -5.0163 -4.8504 -4.8504 -4.7906 -4.7906 -4.1527 -4.1527 -4.0587 -4.0587 4.6693 4.6693 5.3393 5.3393 5.5785 5.5785 5.6046 5.6046 5.9055 5.9055 5.9388 5.9388 9.3078 9.3078 9.4411 9.4411 10.5004 10.5004 12.1211 12.1211 12.8722 12.8722 k = 0.0000 0.0000 0.2756 ( 6664 PWs) bands (ev): -44.3402 -44.3402 -44.3024 -44.3024 -20.8565 -20.8565 -20.5616 -20.5616 -16.4580 -16.4580 -16.3851 -16.3851 -16.3044 -16.3044 -16.2314 -16.2314 -16.1856 -16.1856 -16.1114 -16.1114 -8.8039 -8.8039 -8.5475 -8.5475 -5.6644 -5.6644 -5.0156 -5.0156 -4.8494 -4.8494 -4.7906 -4.7906 -4.1516 -4.1516 -4.0587 -4.0587 4.6581 4.6581 5.3314 5.3314 5.5764 5.5764 5.6025 5.6025 5.9075 5.9075 5.9409 5.9409 9.3111 9.3111 9.5058 9.5058 10.4345 10.4345 12.1109 12.1109 12.8968 12.8968 k = 0.0000 0.0000 0.2882 ( 6664 PWs) bands (ev): -44.3402 -44.3402 -44.3024 -44.3024 -20.8565 -20.8565 -20.5616 -20.5616 -16.4580 -16.4580 -16.3851 -16.3851 -16.3044 -16.3044 -16.2314 -16.2314 -16.1856 -16.1856 -16.1114 -16.1114 -8.8054 -8.8054 -8.5467 -8.5467 -5.6640 -5.6640 -5.0151 -5.0151 -4.8486 -4.8486 -4.7906 -4.7906 -4.1509 -4.1509 -4.0587 -4.0587 4.6501 4.6501 5.3257 5.3257 5.5750 5.5750 5.6009 5.6009 5.9090 5.9090 5.9424 5.9424 9.3135 9.3135 9.5587 9.5587 10.3809 10.3809 12.1035 12.1035 12.9147 12.9147 k = 0.0000 0.0000 0.3007 ( 6656 PWs) bands (ev): -44.3402 -44.3402 -44.3024 -44.3024 -20.8566 -20.8566 -20.5615 -20.5615 -16.4580 -16.4580 -16.3851 -16.3851 -16.3043 -16.3043 -16.2313 -16.2313 -16.1856 -16.1856 -16.1114 -16.1114 -8.8063 -8.8063 -8.5463 -8.5463 -5.6638 -5.6638 -5.0148 -5.0148 -4.8482 -4.8482 -4.7906 -4.7906 -4.1504 -4.1504 -4.0587 -4.0587 4.6452 4.6452 5.3223 5.3223 5.5741 5.5741 5.6000 5.6000 5.9098 5.9098 5.9433 5.9433 9.3149 9.3149 9.5941 9.5941 10.3451 10.3451 12.0990 12.0990 12.9256 12.9256 k = 0.0000 0.0000 0.3132 ( 6632 PWs) bands (ev): -44.3402 -44.3402 -44.3024 -44.3024 -20.8566 -20.8566 -20.5615 -20.5615 -16.4579 -16.4579 -16.3851 -16.3851 -16.3043 -16.3043 -16.2312 -16.2312 -16.1856 -16.1856 -16.1114 -16.1114 -8.8066 -8.8066 -8.5461 -8.5461 -5.6637 -5.6637 -5.0147 -5.0147 -4.8480 -4.8480 -4.7906 -4.7906 -4.1503 -4.1503 -4.0587 -4.0587 4.6436 4.6436 5.3212 5.3212 5.5738 5.5738 5.5997 5.5997 5.9102 5.9102 5.9436 5.9436 9.3154 9.3154 9.6067 9.6067 10.3323 10.3323 12.0975 12.0975 12.9293 12.9293 k = 0.0000 0.0000 0.3132 ( 6632 PWs) bands (ev): -44.3402 -44.3402 -44.3024 -44.3024 -20.8566 -20.8566 -20.5615 -20.5615 -16.4579 -16.4579 -16.3851 -16.3851 -16.3043 -16.3043 -16.2312 -16.2312 -16.1856 -16.1856 -16.1114 -16.1114 -8.8066 -8.8066 -8.5461 -8.5461 -5.6637 -5.6637 -5.0147 -5.0147 -4.8480 -4.8480 -4.7906 -4.7906 -4.1503 -4.1503 -4.0587 -4.0587 4.6436 4.6436 5.3212 5.3212 5.5738 5.5738 5.5997 5.5997 5.9102 5.9102 5.9436 5.9436 9.3154 9.3154 9.6067 9.6067 10.3323 10.3323 12.0975 12.0975 12.9293 12.9293 k = 0.0000 0.0128 0.3132 ( 6642 PWs) bands (ev): -44.3402 -44.3402 -44.3024 -44.3024 -20.8564 -20.8564 -20.5616 -20.5616 -16.4579 -16.4579 -16.3851 -16.3851 -16.3042 -16.3042 -16.2313 -16.2313 -16.1856 -16.1856 -16.1115 -16.1115 -8.8066 -8.8066 -8.5462 -8.5462 -5.6637 -5.6637 -5.0159 -5.0159 -4.8472 -4.8472 -4.7904 -4.7904 -4.1504 -4.1504 -4.0590 -4.0590 4.6442 4.6442 5.3186 5.3186 5.5746 5.5746 5.6005 5.6005 5.9093 5.9093 5.9428 5.9428 9.3179 9.3179 9.6090 9.6090 10.3337 10.3337 12.0993 12.0993 12.9257 12.9257 k = 0.0000 0.0256 0.3132 ( 6646 PWs) bands (ev): -44.3401 -44.3401 -44.3025 -44.3025 -20.8560 -20.8560 -20.5618 -20.5618 -16.4578 -16.4578 -16.3851 -16.3851 -16.3041 -16.3041 -16.2314 -16.2314 -16.1858 -16.1858 -16.1118 -16.1118 -8.8064 -8.8064 -8.5466 -8.5466 -5.6634 -5.6634 -5.0196 -5.0196 -4.8447 -4.8447 -4.7898 -4.7898 -4.1510 -4.1510 -4.0598 -4.0598 4.6458 4.6458 5.3109 5.3109 5.5765 5.5765 5.6032 5.6032 5.9067 5.9067 5.9403 5.9403 9.3251 9.3251 9.6158 9.6158 10.3380 10.3380 12.1046 12.1046 12.9157 12.9157 k = 0.0000 0.0385 0.3132 ( 6660 PWs) bands (ev): -44.3401 -44.3401 -44.3026 -44.3026 -20.8552 -20.8552 -20.5622 -20.5622 -16.4576 -16.4576 -16.3851 -16.3851 -16.3038 -16.3038 -16.2315 -16.2315 -16.1862 -16.1862 -16.1123 -16.1123 -8.8061 -8.8061 -8.5472 -8.5472 -5.6630 -5.6630 -5.0255 -5.0255 -4.8408 -4.8408 -4.7889 -4.7889 -4.1519 -4.1519 -4.0611 -4.0611 4.6486 4.6486 5.2987 5.2987 5.5781 5.5781 5.6086 5.6086 5.9020 5.9020 5.9364 5.9364 9.3372 9.3372 9.6271 9.6271 10.3451 10.3451 12.1132 12.1132 12.9014 12.9014 k = 0.0000 0.0513 0.3132 ( 6666 PWs) bands (ev): -44.3400 -44.3400 -44.3027 -44.3027 -20.8541 -20.8541 -20.5628 -20.5628 -16.4573 -16.4573 -16.3851 -16.3851 -16.3034 -16.3034 -16.2316 -16.2316 -16.1867 -16.1867 -16.1130 -16.1130 -8.8057 -8.8057 -8.5481 -8.5481 -5.6625 -5.6625 -5.0333 -5.0333 -4.8358 -4.8358 -4.7875 -4.7875 -4.1532 -4.1532 -4.0628 -4.0628 4.6524 4.6524 5.2829 5.2829 5.5786 5.5786 5.6168 5.6168 5.8950 5.8950 5.9316 5.9316 9.3540 9.3540 9.6427 9.6427 10.3550 10.3550 12.1251 12.1251 12.8848 12.8848 k = 0.0000 0.0641 0.3132 ( 6676 PWs) bands (ev): -44.3398 -44.3398 -44.3028 -44.3028 -20.8527 -20.8527 -20.5635 -20.5635 -16.4569 -16.4569 -16.3850 -16.3850 -16.3029 -16.3029 -16.2317 -16.2317 -16.1872 -16.1872 -16.1138 -16.1138 -8.8052 -8.8052 -8.5492 -8.5492 -5.6618 -5.6618 -5.0427 -5.0427 -4.8301 -4.8301 -4.7856 -4.7856 -4.1548 -4.1548 -4.0651 -4.0651 4.6573 4.6573 5.2641 5.2641 5.5779 5.5779 5.6271 5.6271 5.8854 5.8854 5.9262 5.9262 9.3753 9.3753 9.6628 9.6628 10.3676 10.3676 12.1401 12.1401 12.8673 12.8673 k = 0.0000 0.0769 0.3132 ( 6688 PWs) bands (ev): -44.3397 -44.3397 -44.3030 -44.3030 -20.8510 -20.8510 -20.5644 -20.5644 -16.4565 -16.4565 -16.3850 -16.3850 -16.3022 -16.3022 -16.2319 -16.2319 -16.1879 -16.1879 -16.1149 -16.1149 -8.8046 -8.8046 -8.5505 -8.5505 -5.6609 -5.6609 -5.0535 -5.0535 -4.8239 -4.8239 -4.7833 -4.7833 -4.1568 -4.1568 -4.0679 -4.0679 4.6632 4.6632 5.2430 5.2430 5.5764 5.5764 5.6389 5.6389 5.8731 5.8731 5.9204 5.9204 9.4010 9.4010 9.6870 9.6870 10.3830 10.3830 12.1579 12.1579 12.8499 12.8499 k = 0.0000 0.0897 0.3132 ( 6704 PWs) bands (ev): -44.3395 -44.3395 -44.3032 -44.3032 -20.8490 -20.8490 -20.5654 -20.5654 -16.4560 -16.4560 -16.3851 -16.3851 -16.3015 -16.3015 -16.2321 -16.2321 -16.1888 -16.1888 -16.1161 -16.1161 -8.8039 -8.8039 -8.5521 -8.5521 -5.6599 -5.6599 -5.0653 -5.0653 -4.8175 -4.8175 -4.7804 -4.7804 -4.1592 -4.1592 -4.0711 -4.0711 4.6701 4.6701 5.2201 5.2201 5.5742 5.5742 5.6513 5.6513 5.8582 5.8582 5.9144 5.9144 9.4309 9.4309 9.7153 9.7153 10.4012 10.4012 12.1782 12.1782 12.8333 12.8333 k = 0.0000 0.1026 0.3132 ( 6696 PWs) bands (ev): -44.3392 -44.3392 -44.3034 -44.3034 -20.8467 -20.8467 -20.5667 -20.5667 -16.4553 -16.4553 -16.3850 -16.3850 -16.3006 -16.3006 -16.2322 -16.2322 -16.1897 -16.1897 -16.1175 -16.1175 -8.8030 -8.8030 -8.5539 -8.5539 -5.6587 -5.6587 -5.0780 -5.0780 -4.8111 -4.8111 -4.7769 -4.7769 -4.1618 -4.1618 -4.0747 -4.0747 4.6778 4.6778 5.1958 5.1958 5.5714 5.5714 5.6641 5.6641 5.8409 5.8409 5.9080 5.9080 9.4646 9.4646 9.7474 9.7474 10.4221 10.4221 12.2007 12.2007 12.8181 12.8181 k = 0.0000 0.1154 0.3132 ( 6706 PWs) bands (ev): -44.3390 -44.3390 -44.3037 -44.3037 -20.8442 -20.8442 -20.5680 -20.5680 -16.4546 -16.4546 -16.3850 -16.3850 -16.2995 -16.2995 -16.2324 -16.2324 -16.1908 -16.1908 -16.1191 -16.1191 -8.8020 -8.8020 -8.5560 -8.5560 -5.6574 -5.6574 -5.0914 -5.0914 -4.8049 -4.8049 -4.7728 -4.7728 -4.1648 -4.1648 -4.0788 -4.0788 4.6864 4.6864 5.1704 5.1704 5.5683 5.5683 5.6766 5.6766 5.8217 5.8217 5.9012 5.9012 9.5020 9.5020 9.7833 9.7833 10.4457 10.4457 12.2248 12.2248 12.8045 12.8045 k = 0.0000 0.1282 0.3132 ( 6706 PWs) bands (ev): -44.3387 -44.3387 -44.3040 -44.3040 -20.8413 -20.8413 -20.5696 -20.5696 -16.4538 -16.4538 -16.3850 -16.3850 -16.2983 -16.2983 -16.2326 -16.2326 -16.1919 -16.1919 -16.1208 -16.1208 -8.8009 -8.8009 -8.5583 -8.5583 -5.6559 -5.6559 -5.1054 -5.1054 -4.7990 -4.7990 -4.7680 -4.7680 -4.1681 -4.1681 -4.0833 -4.0833 4.6957 4.6957 5.1443 5.1443 5.5648 5.5648 5.6889 5.6889 5.8006 5.8006 5.8940 5.8940 9.5426 9.5426 9.8226 9.8226 10.4721 10.4721 12.2501 12.2501 12.7930 12.7930 k = 0.0000 0.1410 0.3132 ( 6702 PWs) bands (ev): -44.3384 -44.3384 -44.3043 -44.3043 -20.8382 -20.8382 -20.5713 -20.5713 -16.4528 -16.4528 -16.3850 -16.3850 -16.2970 -16.2970 -16.2328 -16.2328 -16.1932 -16.1932 -16.1227 -16.1227 -8.7997 -8.7997 -8.5609 -8.5609 -5.6542 -5.6542 -5.1198 -5.1198 -4.7934 -4.7934 -4.7626 -4.7626 -4.1717 -4.1717 -4.0881 -4.0881 4.7057 4.7057 5.1177 5.1177 5.5611 5.5611 5.7006 5.7006 5.7782 5.7782 5.8863 5.8863 9.5859 9.5859 9.8650 9.8650 10.5013 10.5013 12.2762 12.2762 12.7838 12.7838 k = 0.0000 0.1538 0.3132 ( 6704 PWs) bands (ev): -44.3380 -44.3380 -44.3046 -44.3046 -20.8348 -20.8348 -20.5731 -20.5731 -16.4518 -16.4518 -16.3850 -16.3850 -16.2956 -16.2956 -16.2331 -16.2331 -16.1945 -16.1945 -16.1248 -16.1248 -8.7983 -8.7983 -8.5637 -8.5637 -5.6524 -5.6524 -5.1347 -5.1347 -4.7881 -4.7881 -4.7568 -4.7568 -4.1756 -4.1756 -4.0933 -4.0933 4.7161 4.7161 5.0907 5.0907 5.5572 5.5572 5.7116 5.7116 5.7546 5.7546 5.8780 5.8780 9.6316 9.6316 9.9102 9.9102 10.5335 10.5335 12.3024 12.3024 12.7771 12.7771 k = 0.0000 0.1667 0.3132 ( 6710 PWs) bands (ev): -44.3377 -44.3377 -44.3050 -44.3050 -20.8312 -20.8312 -20.5752 -20.5752 -16.4508 -16.4508 -16.3851 -16.3851 -16.2941 -16.2941 -16.2333 -16.2333 -16.1960 -16.1960 -16.1270 -16.1270 -8.7969 -8.7969 -8.5667 -8.5667 -5.6504 -5.6504 -5.1498 -5.1498 -4.7830 -4.7830 -4.7506 -4.7506 -4.1797 -4.1797 -4.0988 -4.0988 4.7270 4.7270 5.0636 5.0636 5.5531 5.5531 5.7218 5.7218 5.7302 5.7302 5.8693 5.8693 9.6790 9.6790 9.9580 9.9580 10.5688 10.5688 12.3283 12.3283 12.7731 12.7731 k = 0.0000 0.1795 0.3132 ( 6706 PWs) bands (ev): -44.3373 -44.3373 -44.3053 -44.3053 -20.8273 -20.8273 -20.5774 -20.5774 -16.4496 -16.4496 -16.3851 -16.3851 -16.2924 -16.2924 -16.2335 -16.2335 -16.1975 -16.1975 -16.1294 -16.1294 -8.7952 -8.7952 -8.5700 -8.5700 -5.6482 -5.6482 -5.1652 -5.1652 -4.7780 -4.7780 -4.7442 -4.7442 -4.1840 -4.1840 -4.1046 -4.1046 4.7382 4.7382 5.0366 5.0366 5.5490 5.5490 5.7051 5.7051 5.7313 5.7313 5.8600 5.8600 9.7277 9.7277 10.0078 10.0078 10.6074 10.6074 12.3533 12.3533 12.7719 12.7719 k = 0.0000 0.1923 0.3132 ( 6718 PWs) bands (ev): -44.3368 -44.3368 -44.3057 -44.3057 -20.8232 -20.8232 -20.5797 -20.5797 -16.4484 -16.4484 -16.3852 -16.3852 -16.2907 -16.2907 -16.2338 -16.2338 -16.1991 -16.1991 -16.1320 -16.1320 -8.7935 -8.7935 -8.5735 -8.5735 -5.6459 -5.6459 -5.1808 -5.1808 -4.7729 -4.7729 -4.7377 -4.7377 -4.1886 -4.1886 -4.1107 -4.1107 4.7494 4.7494 5.0098 5.0098 5.5449 5.5449 5.6799 5.6799 5.7397 5.7397 5.8502 5.8502 9.7770 9.7770 10.0592 10.0592 10.6493 10.6493 12.3771 12.3771 12.7737 12.7737 k = 0.0000 0.2051 0.3132 ( 6726 PWs) bands (ev): -44.3364 -44.3364 -44.3062 -44.3062 -20.8188 -20.8188 -20.5823 -20.5823 -16.4471 -16.4471 -16.3853 -16.3853 -16.2888 -16.2888 -16.2341 -16.2341 -16.2008 -16.2008 -16.1347 -16.1347 -8.7915 -8.7915 -8.5772 -8.5772 -5.6433 -5.6433 -5.1965 -5.1965 -4.7679 -4.7679 -4.7311 -4.7311 -4.1933 -4.1933 -4.1170 -4.1170 4.7606 4.7606 4.9833 4.9833 5.5408 5.5408 5.6548 5.6548 5.7471 5.7471 5.8400 5.8400 9.8264 9.8264 10.1117 10.1117 10.6949 10.6949 12.3992 12.3992 12.7779 12.7779 k = 0.0000 0.2179 0.3132 ( 6732 PWs) bands (ev): -44.3359 -44.3359 -44.3066 -44.3066 -20.8143 -20.8143 -20.5850 -20.5850 -16.4457 -16.4457 -16.3855 -16.3855 -16.2869 -16.2869 -16.2344 -16.2344 -16.2025 -16.2025 -16.1375 -16.1375 -8.7895 -8.7895 -8.5812 -8.5812 -5.6406 -5.6406 -5.2122 -5.2122 -4.7627 -4.7627 -4.7246 -4.7246 -4.1982 -4.1982 -4.1235 -4.1235 4.7714 4.7714 4.9574 4.9574 5.5367 5.5367 5.6302 5.6302 5.7535 5.7535 5.8293 5.8293 9.8752 9.8752 10.1648 10.1648 10.7441 10.7441 12.4194 12.4194 12.7722 12.7722 k = 0.0000 0.2308 0.3132 ( 6734 PWs) bands (ev): -44.3354 -44.3354 -44.3071 -44.3071 -20.8095 -20.8095 -20.5879 -20.5879 -16.4443 -16.4443 -16.3856 -16.3856 -16.2848 -16.2848 -16.2347 -16.2347 -16.2043 -16.2043 -16.1404 -16.1404 -8.7873 -8.7873 -8.5854 -8.5854 -5.6376 -5.6376 -5.2280 -5.2280 -4.7574 -4.7574 -4.7183 -4.7183 -4.2031 -4.2031 -4.1303 -4.1303 4.7818 4.7818 4.9322 4.9322 5.5328 5.5328 5.6065 5.6065 5.7587 5.7587 5.8182 5.8182 9.9229 9.9229 10.2178 10.2178 10.7971 10.7971 12.4378 12.4378 12.7500 12.7500 k = 0.0000 0.2436 0.3132 ( 6724 PWs) bands (ev): -44.3349 -44.3349 -44.3076 -44.3076 -20.8045 -20.8045 -20.5910 -20.5910 -16.4427 -16.4427 -16.3858 -16.3858 -16.2826 -16.2826 -16.2349 -16.2349 -16.2060 -16.2060 -16.1434 -16.1434 -8.7849 -8.7849 -8.5897 -8.5897 -5.6344 -5.6344 -5.2438 -5.2438 -4.7519 -4.7519 -4.7120 -4.7120 -4.2082 -4.2082 -4.1372 -4.1372 4.7914 4.7914 4.9077 4.9077 5.5291 5.5291 5.5841 5.5841 5.7628 5.7628 5.8069 5.8069 9.9692 9.9692 10.2702 10.2702 10.8539 10.8539 12.4545 12.4545 12.7279 12.7279 k = 0.0000 0.2564 0.3132 ( 6724 PWs) bands (ev): -44.3343 -44.3343 -44.3082 -44.3082 -20.7994 -20.7994 -20.5942 -20.5942 -16.4411 -16.4411 -16.3861 -16.3861 -16.2803 -16.2803 -16.2351 -16.2351 -16.2078 -16.2078 -16.1465 -16.1465 -8.7824 -8.7824 -8.5943 -8.5943 -5.6310 -5.6310 -5.2595 -5.2595 -4.7463 -4.7463 -4.7059 -4.7059 -4.2133 -4.2133 -4.1443 -4.1443 4.7999 4.7999 4.8842 4.8842 5.5254 5.5254 5.5634 5.5634 5.7655 5.7655 5.7953 5.7953 10.0136 10.0136 10.3213 10.3213 10.9142 10.9142 12.4695 12.4695 12.7075 12.7075 k = 0.0000 0.2692 0.3132 ( 6732 PWs) bands (ev): -44.3338 -44.3338 -44.3087 -44.3087 -20.7941 -20.7941 -20.5976 -20.5976 -16.4395 -16.4395 -16.3864 -16.3864 -16.2779 -16.2779 -16.2354 -16.2354 -16.2096 -16.2096 -16.1497 -16.1497 -8.7797 -8.7797 -8.5991 -8.5991 -5.6274 -5.6274 -5.2751 -5.2751 -4.7406 -4.7406 -4.7001 -4.7001 -4.2183 -4.2183 -4.1514 -4.1514 4.8072 4.8072 4.8617 4.8617 5.5216 5.5216 5.5451 5.5451 5.7666 5.7666 5.7838 5.7838 10.0560 10.0560 10.3703 10.3703 10.9779 10.9779 12.4832 12.4832 12.6892 12.6892 k = 0.0000 0.2821 0.3132 ( 6732 PWs) bands (ev): -44.3332 -44.3332 -44.3093 -44.3093 -20.7886 -20.7886 -20.6012 -20.6012 -16.4378 -16.4378 -16.3868 -16.3868 -16.2755 -16.2755 -16.2356 -16.2356 -16.2115 -16.2115 -16.1530 -16.1530 -8.7768 -8.7768 -8.6040 -8.6040 -5.6236 -5.6236 -5.2905 -5.2905 -4.7348 -4.7348 -4.6944 -4.6944 -4.2233 -4.2233 -4.1587 -4.1587 4.8129 4.8129 4.8405 4.8405 5.5166 5.5166 5.5307 5.5307 5.7642 5.7642 5.7744 5.7744 10.0962 10.0962 10.4167 10.4167 11.0445 11.0445 12.4959 12.4959 12.6730 12.6730 k = 0.0000 0.2949 0.3132 ( 6732 PWs) bands (ev): -44.3326 -44.3326 -44.3099 -44.3099 -20.7830 -20.7830 -20.6049 -20.6049 -16.4361 -16.4361 -16.3872 -16.3872 -16.2729 -16.2729 -16.2357 -16.2357 -16.2133 -16.2133 -16.1564 -16.1564 -8.7738 -8.7738 -8.6092 -8.6092 -5.6194 -5.6194 -5.3058 -5.3058 -4.7288 -4.7288 -4.6890 -4.6890 -4.2283 -4.2283 -4.1660 -4.1660 4.8152 4.8152 4.8221 4.8221 5.5080 5.5080 5.5229 5.5229 5.7551 5.7551 5.7703 5.7703 10.1342 10.1342 10.4598 10.4598 11.1136 11.1136 12.5076 12.5076 12.6591 12.6591 k = 0.0000 0.3077 0.3132 ( 6724 PWs) bands (ev): -44.3320 -44.3320 -44.3105 -44.3105 -20.7773 -20.7773 -20.6088 -20.6088 -16.4343 -16.4343 -16.3877 -16.3877 -16.2702 -16.2702 -16.2359 -16.2359 -16.2151 -16.2151 -16.1598 -16.1598 -8.7706 -8.7706 -8.6144 -8.6144 -5.6151 -5.6151 -5.3209 -5.3209 -4.7228 -4.7228 -4.6838 -4.6838 -4.2331 -4.2331 -4.1734 -4.1734 4.8007 4.8007 4.8201 4.8201 5.4982 5.4982 5.5196 5.5196 5.7432 5.7432 5.7676 5.7676 10.1702 10.1702 10.4990 10.4990 11.1845 11.1845 12.5183 12.5183 12.6476 12.6476 k = 0.0000 0.3205 0.3132 ( 6724 PWs) bands (ev): -44.3313 -44.3313 -44.3111 -44.3111 -20.7715 -20.7715 -20.6129 -20.6129 -16.4324 -16.4324 -16.3883 -16.3883 -16.2675 -16.2675 -16.2360 -16.2360 -16.2168 -16.2168 -16.1634 -16.1634 -8.7672 -8.7672 -8.6198 -8.6198 -5.6104 -5.6104 -5.3358 -5.3358 -4.7167 -4.7167 -4.6790 -4.6790 -4.2377 -4.2377 -4.1808 -4.1808 4.7835 4.7835 4.8200 4.8200 5.4903 5.4903 5.5179 5.5179 5.7306 5.7306 5.7643 5.7643 10.2042 10.2042 10.5338 10.5338 11.2567 11.2567 12.5276 12.5276 12.6385 12.6385 k = 0.0000 0.3333 0.3132 ( 6724 PWs) bands (ev): -44.3307 -44.3307 -44.3117 -44.3117 -20.7655 -20.7655 -20.6172 -20.6172 -16.4305 -16.4305 -16.3890 -16.3890 -16.2647 -16.2647 -16.2361 -16.2361 -16.2186 -16.2186 -16.1670 -16.1670 -8.7636 -8.7636 -8.6254 -8.6254 -5.6054 -5.6054 -5.3504 -5.3504 -4.7107 -4.7107 -4.6744 -4.6744 -4.2421 -4.2421 -4.1881 -4.1881 4.7677 4.7677 4.8182 4.8182 5.4852 5.4852 5.5171 5.5171 5.7178 5.7178 5.7599 5.7599 10.2364 10.2364 10.5638 10.5638 11.3295 11.3295 12.5349 12.5349 12.6319 12.6319 k = 0.0000 0.3462 0.3132 ( 6732 PWs) bands (ev): -44.3300 -44.3300 -44.3124 -44.3124 -20.7595 -20.7595 -20.6216 -20.6216 -16.4286 -16.4286 -16.3897 -16.3897 -16.2619 -16.2619 -16.2361 -16.2361 -16.2202 -16.2202 -16.1706 -16.1706 -8.7599 -8.7599 -8.6310 -8.6310 -5.6002 -5.6002 -5.3648 -5.3648 -4.7046 -4.7046 -4.6701 -4.6701 -4.2462 -4.2462 -4.1953 -4.1953 4.7534 4.7534 4.8144 4.8144 5.4830 5.4830 5.5171 5.5171 5.7049 5.7049 5.7543 5.7543 10.2671 10.2671 10.5888 10.5888 11.4024 11.4024 12.5390 12.5390 12.6278 12.6278 k = 0.0000 0.3590 0.3132 ( 6736 PWs) bands (ev): -44.3293 -44.3293 -44.3131 -44.3131 -20.7534 -20.7534 -20.6262 -20.6262 -16.4267 -16.4267 -16.3906 -16.3906 -16.2591 -16.2591 -16.2361 -16.2361 -16.2218 -16.2218 -16.1743 -16.1743 -8.7559 -8.7559 -8.6368 -8.6368 -5.5946 -5.5946 -5.3788 -5.3788 -4.6987 -4.6987 -4.6662 -4.6662 -4.2500 -4.2500 -4.2024 -4.2024 4.7407 4.7407 4.8088 4.8088 5.4837 5.4837 5.5178 5.5178 5.6920 5.6920 5.7477 5.7477 10.2964 10.2964 10.6086 10.6086 11.4748 11.4748 12.5388 12.5388 12.6261 12.6261 k = 0.0000 0.3718 0.3132 ( 6730 PWs) bands (ev): -44.3286 -44.3286 -44.3138 -44.3138 -20.7473 -20.7473 -20.6309 -20.6309 -16.4247 -16.4247 -16.3915 -16.3915 -16.2562 -16.2562 -16.2360 -16.2360 -16.2232 -16.2232 -16.1780 -16.1780 -8.7518 -8.7518 -8.6427 -8.6427 -5.5887 -5.5887 -5.3926 -5.3926 -4.6929 -4.6929 -4.6627 -4.6627 -4.2534 -4.2534 -4.2094 -4.2094 4.7296 4.7296 4.8017 4.8017 5.4871 5.4871 5.5192 5.5192 5.6792 5.6792 5.7399 5.7399 10.3245 10.3245 10.6234 10.6234 11.5462 11.5462 12.5330 12.5330 12.6270 12.6270 k = 0.0000 0.3846 0.3132 ( 6726 PWs) bands (ev): -44.3279 -44.3279 -44.3145 -44.3145 -20.7411 -20.7411 -20.6357 -20.6357 -16.4227 -16.4227 -16.3925 -16.3925 -16.2533 -16.2533 -16.2357 -16.2357 -16.2246 -16.2246 -16.1818 -16.1818 -8.7476 -8.7476 -8.6486 -8.6486 -5.5825 -5.5825 -5.4060 -5.4060 -4.6872 -4.6872 -4.6595 -4.6595 -4.2565 -4.2565 -4.2161 -4.2161 4.7202 4.7202 4.7933 4.7933 5.4929 5.4929 5.5215 5.5215 5.6666 5.6666 5.7311 5.7311 10.3516 10.3516 10.6332 10.6332 11.6164 11.6164 12.5208 12.5208 12.6302 12.6302 k = 0.0000 0.3974 0.3132 ( 6732 PWs) bands (ev): -44.3272 -44.3272 -44.3152 -44.3152 -20.7348 -20.7348 -20.6408 -20.6408 -16.4207 -16.4207 -16.3936 -16.3936 -16.2506 -16.2506 -16.2354 -16.2354 -16.2258 -16.2258 -16.1856 -16.1856 -8.7431 -8.7431 -8.6545 -8.6545 -5.5759 -5.5759 -5.4190 -5.4190 -4.6818 -4.6818 -4.6568 -4.6568 -4.2590 -4.2590 -4.2226 -4.2226 4.7125 4.7125 4.7839 4.7839 5.5006 5.5006 5.5246 5.5246 5.6542 5.6542 5.7212 5.7212 10.3777 10.3777 10.6384 10.6384 11.6850 11.6850 12.5016 12.5016 12.6359 12.6359 k = 0.0000 0.4103 0.3132 ( 6718 PWs) bands (ev): -44.3264 -44.3264 -44.3159 -44.3159 -20.7286 -20.7286 -20.6459 -20.6459 -16.4187 -16.4187 -16.3948 -16.3948 -16.2479 -16.2479 -16.2351 -16.2351 -16.2266 -16.2266 -16.1893 -16.1893 -8.7385 -8.7385 -8.6605 -8.6605 -5.5690 -5.5690 -5.4317 -5.4317 -4.6767 -4.6767 -4.6545 -4.6545 -4.2611 -4.2611 -4.2287 -4.2287 4.7066 4.7066 4.7740 4.7740 5.5099 5.5099 5.5289 5.5289 5.6421 5.6421 5.7103 5.7103 10.4031 10.4031 10.6393 10.6393 11.7519 11.7519 12.4758 12.4758 12.6439 12.6439 k = 0.0000 0.4231 0.3132 ( 6718 PWs) bands (ev): -44.3257 -44.3257 -44.3166 -44.3166 -20.7223 -20.7223 -20.6512 -20.6512 -16.4167 -16.4167 -16.3961 -16.3961 -16.2456 -16.2456 -16.2347 -16.2347 -16.2270 -16.2270 -16.1931 -16.1931 -8.7337 -8.7337 -8.6665 -8.6665 -5.5617 -5.5617 -5.4441 -5.4441 -4.6719 -4.6719 -4.6526 -4.6526 -4.2627 -4.2627 -4.2346 -4.2346 4.7024 4.7024 4.7637 4.7637 5.5197 5.5197 5.5348 5.5348 5.6303 5.6303 5.6985 5.6985 10.4277 10.4277 10.6362 10.6362 11.8170 11.8170 12.4439 12.4439 12.6542 12.6542 k = 0.0000 0.4359 0.3132 ( 6722 PWs) bands (ev): -44.3249 -44.3249 -44.3173 -44.3173 -20.7161 -20.7161 -20.6567 -20.6567 -16.4147 -16.4147 -16.3974 -16.3974 -16.2435 -16.2435 -16.2346 -16.2346 -16.2267 -16.2267 -16.1968 -16.1968 -8.7287 -8.7287 -8.6725 -8.6725 -5.5541 -5.5541 -5.4560 -5.4560 -4.6675 -4.6675 -4.6513 -4.6513 -4.2637 -4.2637 -4.2400 -4.2400 4.6999 4.6999 4.7535 4.7535 5.5289 5.5289 5.5434 5.5434 5.6189 5.6189 5.6859 5.6859 10.4516 10.4516 10.6297 10.6297 11.8803 11.8803 12.4068 12.4068 12.6668 12.6668 k = 0.0000 0.4487 0.3132 ( 6716 PWs) bands (ev): -44.3242 -44.3242 -44.3181 -44.3181 -20.7099 -20.7099 -20.6622 -20.6622 -16.4128 -16.4128 -16.3989 -16.3989 -16.2419 -16.2419 -16.2348 -16.2348 -16.2255 -16.2255 -16.2005 -16.2005 -8.7236 -8.7236 -8.6785 -8.6785 -5.5460 -5.5460 -5.4676 -5.4676 -4.6635 -4.6635 -4.6505 -4.6505 -4.2641 -4.2641 -4.2449 -4.2449 4.6990 4.6990 4.7436 4.7436 5.5368 5.5368 5.5549 5.5549 5.6080 5.6080 5.6725 5.6725 10.4748 10.4748 10.6201 10.6201 11.9417 11.9417 12.3654 12.3654 12.6814 12.6814 k = 0.0000 0.4615 0.3132 ( 6718 PWs) bands (ev): -44.3234 -44.3234 -44.3189 -44.3189 -20.7037 -20.7037 -20.6679 -20.6679 -16.4109 -16.4109 -16.4004 -16.4004 -16.2405 -16.2405 -16.2353 -16.2353 -16.2235 -16.2235 -16.2042 -16.2042 -8.7184 -8.7184 -8.6844 -8.6844 -5.5376 -5.5376 -5.4788 -5.4788 -4.6600 -4.6600 -4.6502 -4.6502 -4.2638 -4.2638 -4.2494 -4.2494 4.6998 4.6998 4.7341 4.7341 5.5441 5.5441 5.5681 5.5681 5.5977 5.5977 5.6585 5.6585 10.4972 10.4972 10.6078 10.6078 12.0014 12.0014 12.3204 12.3204 12.6981 12.6981 k = 0.0000 0.4744 0.3132 ( 6722 PWs) bands (ev): -44.3227 -44.3227 -44.3196 -44.3196 -20.6975 -20.6975 -20.6736 -20.6736 -16.4090 -16.4090 -16.4020 -16.4020 -16.2394 -16.2394 -16.2360 -16.2360 -16.2209 -16.2209 -16.2078 -16.2078 -8.7130 -8.7130 -8.6903 -8.6903 -5.5288 -5.5288 -5.4896 -5.4896 -4.6570 -4.6570 -4.6504 -4.6504 -4.2630 -4.2630 -4.2533 -4.2533 4.7022 4.7022 4.7255 4.7255 5.5516 5.5516 5.5804 5.5804 5.5899 5.5899 5.6440 5.6440 10.5187 10.5187 10.5933 10.5933 12.0592 12.0592 12.2725 12.2725 12.7167 12.7167 k = 0.0000 0.4872 0.3132 ( 6708 PWs) bands (ev): -44.3219 -44.3219 -44.3204 -44.3204 -20.6915 -20.6915 -20.6795 -20.6795 -16.4071 -16.4071 -16.4036 -16.4036 -16.2384 -16.2384 -16.2367 -16.2367 -16.2180 -16.2180 -16.2113 -16.2113 -8.7074 -8.7074 -8.6961 -8.6961 -5.5196 -5.5196 -5.5000 -5.5000 -4.6545 -4.6545 -4.6512 -4.6512 -4.2615 -4.2615 -4.2566 -4.2566 4.7061 4.7061 4.7178 4.7178 5.5595 5.5595 5.5764 5.5764 5.5993 5.5993 5.6291 5.6291 10.5393 10.5393 10.5768 10.5768 12.1154 12.1154 12.2222 12.2222 12.7372 12.7372 k = 0.0000 0.5000 0.3132 ( 6716 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6854 -20.6854 -20.6854 -20.6854 -16.4054 -16.4054 -16.4054 -16.4054 -16.2375 -16.2375 -16.2375 -16.2375 -16.2148 -16.2148 -16.2147 -16.2147 -8.7018 -8.7018 -8.7018 -8.7018 -5.5100 -5.5100 -5.5100 -5.5100 -4.6526 -4.6526 -4.6526 -4.6526 -4.2594 -4.2594 -4.2594 -4.2594 4.7113 4.7113 4.7113 4.7113 5.5678 5.5678 5.5678 5.5678 5.6141 5.6141 5.6141 5.6141 10.5587 10.5587 10.5587 10.5587 12.1697 12.1697 12.1697 12.1697 12.7594 12.7594 k = 0.0000 0.5000 0.3132 ( 6716 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6854 -20.6854 -20.6854 -20.6854 -16.4054 -16.4054 -16.4054 -16.4054 -16.2375 -16.2375 -16.2375 -16.2375 -16.2148 -16.2148 -16.2147 -16.2147 -8.7018 -8.7018 -8.7018 -8.7018 -5.5100 -5.5100 -5.5100 -5.5100 -4.6526 -4.6526 -4.6526 -4.6526 -4.2594 -4.2594 -4.2594 -4.2594 4.7113 4.7113 4.7113 4.7113 5.5678 5.5678 5.5678 5.5678 5.6141 5.6141 5.6141 5.6141 10.5587 10.5587 10.5587 10.5587 12.1697 12.1697 12.1697 12.1697 12.7594 12.7594 k = 0.0128 0.5000 0.3132 ( 6716 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6854 -20.6854 -20.6854 -20.6854 -16.4059 -16.4059 -16.4051 -16.4051 -16.2396 -16.2396 -16.2364 -16.2364 -16.2155 -16.2155 -16.2130 -16.2130 -8.7016 -8.7016 -8.7016 -8.7016 -5.5140 -5.5140 -5.5065 -5.5065 -4.6685 -4.6685 -4.6373 -4.6373 -4.2718 -4.2718 -4.2476 -4.2476 4.7113 4.7113 4.7116 4.7116 5.5678 5.5678 5.5683 5.5683 5.6137 5.6137 5.6145 5.6145 10.5596 10.5596 10.5608 10.5608 12.1703 12.1703 12.1709 12.1709 12.7594 12.7594 k = 0.0256 0.5000 0.3132 ( 6712 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6853 -20.6853 -20.6853 -20.6853 -16.4065 -16.4065 -16.4050 -16.4050 -16.2421 -16.2421 -16.2363 -16.2363 -16.2149 -16.2149 -16.2107 -16.2107 -8.7010 -8.7010 -8.7010 -8.7010 -5.5184 -5.5184 -5.5035 -5.5035 -4.6848 -4.6848 -4.6226 -4.6226 -4.2846 -4.2846 -4.2364 -4.2364 4.7117 4.7117 4.7123 4.7123 5.5681 5.5681 5.5693 5.5693 5.6133 5.6133 5.6147 5.6147 10.5633 10.5633 10.5656 10.5656 12.1728 12.1728 12.1738 12.1738 12.7595 12.7595 k = 0.0385 0.5000 0.3132 ( 6708 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6851 -20.6851 -20.6851 -20.6851 -16.4074 -16.4074 -16.4052 -16.4052 -16.2448 -16.2448 -16.2372 -16.2372 -16.2132 -16.2132 -16.2079 -16.2079 -8.7001 -8.7001 -8.7001 -8.7001 -5.5234 -5.5234 -5.5011 -5.5011 -4.7014 -4.7014 -4.6087 -4.6087 -4.2979 -4.2979 -4.2259 -4.2259 4.7124 4.7124 4.7132 4.7132 5.5689 5.5689 5.5707 5.5707 5.6129 5.6129 5.6149 5.6149 10.5698 10.5698 10.5733 10.5733 12.1770 12.1770 12.1785 12.1785 12.7597 12.7597 k = 0.0513 0.5000 0.3132 ( 6720 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6848 -20.6848 -20.6848 -20.6848 -16.4085 -16.4085 -16.4055 -16.4055 -16.2477 -16.2477 -16.2389 -16.2389 -16.2107 -16.2107 -16.2049 -16.2049 -8.6987 -8.6987 -8.6987 -8.6987 -5.5287 -5.5287 -5.4992 -5.4992 -4.7183 -4.7183 -4.5956 -4.5956 -4.3114 -4.3114 -4.2162 -4.2162 4.7135 4.7135 4.7145 4.7145 5.5699 5.5699 5.5725 5.5725 5.6125 5.6125 5.6150 5.6150 10.5791 10.5791 10.5838 10.5838 12.1830 12.1830 12.1851 12.1851 12.7601 12.7601 k = 0.0641 0.5000 0.3132 ( 6732 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6845 -20.6845 -20.6844 -20.6844 -16.4097 -16.4097 -16.4061 -16.4061 -16.2506 -16.2506 -16.2409 -16.2409 -16.2076 -16.2076 -16.2016 -16.2016 -8.6970 -8.6970 -8.6970 -8.6970 -5.5345 -5.5345 -5.4980 -5.4980 -4.7353 -4.7353 -4.5834 -4.5834 -4.3251 -4.3251 -4.2073 -4.2073 4.7150 4.7150 4.7161 4.7161 5.5712 5.5712 5.5748 5.5748 5.6122 5.6122 5.6149 5.6149 10.5912 10.5912 10.5969 10.5969 12.1908 12.1908 12.1934 12.1934 12.7607 12.7607 k = 0.0769 0.5000 0.3132 ( 6724 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6840 -20.6840 -20.6840 -20.6840 -16.4111 -16.4111 -16.4069 -16.4069 -16.2534 -16.2534 -16.2432 -16.2432 -16.2042 -16.2042 -16.1983 -16.1983 -8.6949 -8.6949 -8.6949 -8.6949 -5.5408 -5.5408 -5.4974 -5.4974 -4.7523 -4.7523 -4.5722 -4.5722 -4.3389 -4.3389 -4.1992 -4.1992 4.7168 4.7168 4.7181 4.7181 5.5726 5.5726 5.5775 5.5775 5.6120 5.6120 5.6147 5.6147 10.6060 10.6060 10.6127 10.6127 12.2004 12.2004 12.2036 12.2036 12.7615 12.7615 k = 0.0897 0.5000 0.3132 ( 6724 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6835 -20.6835 -20.6835 -20.6835 -16.4127 -16.4127 -16.4079 -16.4079 -16.2562 -16.2562 -16.2455 -16.2455 -16.2006 -16.2006 -16.1948 -16.1948 -8.6925 -8.6925 -8.6924 -8.6924 -5.5474 -5.5474 -5.4975 -5.4975 -4.7691 -4.7691 -4.5621 -4.5621 -4.3526 -4.3526 -4.1921 -4.1921 4.7190 4.7190 4.7203 4.7203 5.5740 5.5740 5.5805 5.5805 5.6119 5.6119 5.6144 5.6144 10.6234 10.6234 10.6311 10.6311 12.2119 12.2119 12.2156 12.2156 12.7627 12.7627 k = 0.1026 0.5000 0.3132 ( 6724 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6830 -20.6830 -20.6830 -20.6830 -16.4144 -16.4144 -16.4090 -16.4090 -16.2588 -16.2588 -16.2478 -16.2478 -16.1969 -16.1969 -16.1914 -16.1914 -8.6897 -8.6897 -8.6896 -8.6896 -5.5544 -5.5544 -5.4984 -5.4984 -4.7856 -4.7856 -4.5532 -4.5532 -4.3660 -4.3660 -4.1858 -4.1858 4.7216 4.7216 4.7229 4.7229 5.5752 5.5752 5.5836 5.5836 5.6123 5.6123 5.6140 5.6140 10.6434 10.6434 10.6519 10.6519 12.2252 12.2252 12.2295 12.2295 12.7642 12.7642 k = 0.1154 0.5000 0.3132 ( 6732 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6824 -20.6824 -20.6824 -20.6824 -16.4162 -16.4162 -16.4104 -16.4104 -16.2613 -16.2613 -16.2501 -16.2501 -16.1932 -16.1932 -16.1879 -16.1879 -8.6866 -8.6866 -8.6865 -8.6865 -5.5618 -5.5618 -5.5000 -5.5000 -4.8016 -4.8016 -4.5456 -4.5456 -4.3789 -4.3789 -4.1805 -4.1805 4.7246 4.7246 4.7259 4.7259 5.5758 5.5758 5.5866 5.5866 5.6131 5.6131 5.6138 5.6138 10.6657 10.6657 10.6749 10.6749 12.2404 12.2404 12.2453 12.2453 12.7662 12.7662 k = 0.1282 0.5000 0.3132 ( 6732 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6817 -20.6817 -20.6817 -20.6817 -16.4182 -16.4182 -16.4119 -16.4119 -16.2637 -16.2637 -16.2523 -16.2523 -16.1894 -16.1894 -16.1844 -16.1844 -8.6832 -8.6832 -8.6831 -8.6831 -5.5696 -5.5696 -5.5025 -5.5025 -4.8171 -4.8171 -4.5396 -4.5396 -4.3911 -4.3911 -4.1762 -4.1762 4.7280 4.7280 4.7291 4.7291 5.5757 5.5757 5.5889 5.5889 5.6141 5.6141 5.6147 5.6147 10.6903 10.6903 10.7001 10.7001 12.2574 12.2574 12.2629 12.2629 12.7686 12.7686 k = 0.1410 0.5000 0.3132 ( 6728 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6809 -20.6809 -20.6809 -20.6809 -16.4202 -16.4202 -16.4136 -16.4136 -16.2659 -16.2659 -16.2545 -16.2545 -16.1856 -16.1856 -16.1809 -16.1809 -8.6795 -8.6795 -8.6794 -8.6794 -5.5777 -5.5777 -5.5058 -5.5058 -4.8319 -4.8319 -4.5353 -4.5353 -4.4023 -4.4023 -4.1728 -4.1728 4.7318 4.7318 4.7328 4.7328 5.5747 5.5747 5.5900 5.5900 5.6155 5.6155 5.6170 5.6170 10.7171 10.7171 10.7273 10.7273 12.2763 12.2763 12.2824 12.2824 12.7715 12.7715 k = 0.1538 0.5000 0.3132 ( 6724 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6802 -20.6802 -20.6801 -20.6801 -16.4224 -16.4224 -16.4155 -16.4155 -16.2679 -16.2679 -16.2565 -16.2565 -16.1818 -16.1818 -16.1775 -16.1775 -8.6755 -8.6755 -8.6755 -8.6755 -5.5861 -5.5861 -5.5100 -5.5100 -4.8458 -4.8458 -4.5330 -4.5330 -4.4121 -4.4121 -4.1704 -4.1704 4.7361 4.7361 4.7369 4.7369 5.5726 5.5726 5.5893 5.5893 5.6184 5.6184 5.6201 5.6201 10.7457 10.7457 10.7563 10.7563 12.2970 12.2970 12.3037 12.3037 12.7749 12.7749 k = 0.1667 0.5000 0.3132 ( 6728 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6793 -20.6793 -20.6793 -20.6793 -16.4246 -16.4246 -16.4175 -16.4175 -16.2698 -16.2698 -16.2585 -16.2585 -16.1781 -16.1781 -16.1740 -16.1740 -8.6713 -8.6713 -8.6713 -8.6713 -5.5949 -5.5949 -5.5152 -5.5152 -4.8587 -4.8587 -4.5330 -4.5330 -4.4203 -4.4203 -4.1689 -4.1689 4.7408 4.7408 4.7413 4.7413 5.5695 5.5695 5.5869 5.5869 5.6225 5.6225 5.6240 5.6240 10.7761 10.7761 10.7869 10.7869 12.3195 12.3195 12.3268 12.3268 12.7789 12.7789 k = 0.1795 0.5000 0.3132 ( 6724 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6785 -20.6785 -20.6784 -20.6784 -16.4268 -16.4268 -16.4196 -16.4196 -16.2716 -16.2716 -16.2603 -16.2603 -16.1745 -16.1745 -16.1707 -16.1707 -8.6669 -8.6669 -8.6669 -8.6669 -5.6039 -5.6039 -5.5213 -5.5213 -4.8706 -4.8706 -4.5353 -4.5353 -4.4265 -4.4265 -4.1684 -4.1684 4.7461 4.7461 4.7462 4.7462 5.5653 5.5653 5.5831 5.5831 5.6276 5.6276 5.6285 5.6285 10.8079 10.8079 10.8187 10.8187 12.3435 12.3435 12.3514 12.3514 12.7834 12.7834 k = 0.1923 0.5000 0.3132 ( 6724 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6775 -20.6775 -20.6775 -20.6775 -16.4292 -16.4292 -16.4218 -16.4218 -16.2732 -16.2732 -16.2621 -16.2621 -16.1709 -16.1709 -16.1674 -16.1674 -8.6624 -8.6624 -8.6623 -8.6623 -5.6132 -5.6132 -5.5284 -5.5284 -4.8812 -4.8812 -4.5400 -4.5400 -4.4309 -4.4309 -4.1688 -4.1688 4.7516 4.7516 4.7518 4.7518 5.5602 5.5602 5.5781 5.5781 5.6333 5.6333 5.6334 5.6334 10.8411 10.8411 10.8517 10.8517 12.3691 12.3691 12.3775 12.3775 12.7886 12.7886 k = 0.2051 0.5000 0.3132 ( 6732 PWs) bands (ev): -44.3210 -44.3210 -44.3210 -44.3210 -20.6766 -20.6766 -20.6766 -20.6766 -16.4316 -16.4316 -16.4242 -16.4242 -16.2747 -16.2747 -16.2638 -16.2638 -16.1674 -16.1674 -16.1641 -16.1641 -8.6576 -8.6576 -8.6576 -8.6576 -5.6226 -5.6226 -5.5364 -5.5364 -4.8906 -4.8906 -4.5467 -4.5467 -4.4335 -4.4335 -4.1701 -4.1701 4.7574 4.7574 4.7580 4.7580 5.5541 5.5541 5.5720 5.5720 5.6387 5.6387 5.6394 5.6394 10.8752 10.8752 10.8856 10.8856 12.3957 12.3957 12.4047 12.4047 12.7943 12.7943 k = 0.2179 0.5000 0.3132 ( 6732 PWs) bands (ev): -44.3210 -44.3210 -44.3210 -44.3210 -20.6757 -20.6757 -20.6756 -20.6756 -16.4340 -16.4340 -16.4266 -16.4266 -16.2760 -16.2760 -16.2654 -16.2654 -16.1640 -16.1640 -16.1609 -16.1609 -8.6528 -8.6528 -8.6527 -8.6527 -5.6323 -5.6323 -5.5452 -5.5452 -4.8987 -4.8987 -4.5550 -4.5550 -4.4348 -4.4348 -4.1723 -4.1723 4.7637 4.7637 4.7648 4.7648 5.5471 5.5471 5.5650 5.5650 5.6442 5.6442 5.6456 5.6456 10.9100 10.9100 10.9200 10.9200 12.4232 12.4232 12.4325 12.4325 12.8008 12.8008 k = 0.2308 0.5000 0.3132 ( 6728 PWs) bands (ev): -44.3210 -44.3210 -44.3210 -44.3210 -20.6747 -20.6747 -20.6747 -20.6747 -16.4363 -16.4363 -16.4290 -16.4290 -16.2772 -16.2772 -16.2669 -16.2669 -16.1606 -16.1606 -16.1579 -16.1579 -8.6478 -8.6478 -8.6477 -8.6477 -5.6420 -5.6420 -5.5549 -5.5549 -4.9055 -4.9055 -4.5646 -4.5646 -4.4350 -4.4350 -4.1753 -4.1753 4.7705 4.7705 4.7721 4.7721 5.5392 5.5392 5.5571 5.5571 5.6498 5.6498 5.6519 5.6519 10.9453 10.9453 10.9547 10.9547 12.4509 12.4509 12.4603 12.4603 12.8082 12.8082 k = 0.2436 0.5000 0.3132 ( 6732 PWs) bands (ev): -44.3210 -44.3210 -44.3210 -44.3210 -20.6737 -20.6737 -20.6737 -20.6737 -16.4387 -16.4387 -16.4315 -16.4315 -16.2783 -16.2783 -16.2683 -16.2683 -16.1574 -16.1574 -16.1549 -16.1549 -8.6428 -8.6428 -8.6427 -8.6427 -5.6518 -5.6518 -5.5653 -5.5653 -4.9108 -4.9108 -4.5749 -4.5749 -4.4345 -4.4345 -4.1791 -4.1791 4.7779 4.7779 4.7800 4.7800 5.5305 5.5305 5.5483 5.5483 5.6554 5.6554 5.6582 5.6582 10.9807 10.9807 10.9894 10.9894 12.4781 12.4781 12.4875 12.4875 12.8167 12.8167 k = 0.2564 0.5000 0.3132 ( 6732 PWs) bands (ev): -44.3210 -44.3210 -44.3210 -44.3210 -20.6727 -20.6727 -20.6727 -20.6727 -16.4410 -16.4410 -16.4339 -16.4339 -16.2793 -16.2793 -16.2697 -16.2697 -16.1543 -16.1543 -16.1520 -16.1520 -8.6377 -8.6377 -8.6377 -8.6377 -5.6615 -5.6615 -5.5764 -5.5764 -4.9149 -4.9149 -4.5858 -4.5858 -4.4335 -4.4335 -4.1837 -4.1837 4.7858 4.7858 4.7884 4.7884 5.5210 5.5210 5.5387 5.5387 5.6611 5.6611 5.6643 5.6643 11.0160 11.0160 11.0239 11.0239 12.5041 12.5041 12.5130 12.5130 12.8267 12.8267 k = 0.2692 0.5000 0.3132 ( 6720 PWs) bands (ev): -44.3210 -44.3210 -44.3210 -44.3210 -20.6717 -20.6717 -20.6717 -20.6717 -16.4433 -16.4433 -16.4364 -16.4364 -16.2801 -16.2801 -16.2709 -16.2709 -16.1513 -16.1513 -16.1492 -16.1492 -8.6327 -8.6327 -8.6326 -8.6326 -5.6712 -5.6712 -5.5880 -5.5880 -4.9176 -4.9176 -4.5970 -4.5970 -4.4321 -4.4321 -4.1890 -4.1890 4.7943 4.7943 4.7974 4.7974 5.5108 5.5108 5.5283 5.5283 5.6666 5.6666 5.6703 5.6703 11.0509 11.0509 11.0580 11.0580 12.5278 12.5278 12.5360 12.5360 12.8386 12.8386 k = 0.2821 0.5000 0.3132 ( 6728 PWs) bands (ev): -44.3210 -44.3210 -44.3210 -44.3210 -20.6707 -20.6707 -20.6707 -20.6707 -16.4455 -16.4455 -16.4389 -16.4389 -16.2809 -16.2809 -16.2721 -16.2721 -16.1485 -16.1485 -16.1466 -16.1466 -8.6276 -8.6276 -8.6276 -8.6276 -5.6808 -5.6808 -5.6000 -5.6000 -4.9190 -4.9190 -4.6084 -4.6084 -4.4304 -4.4304 -4.1949 -4.1949 4.8033 4.8033 4.8068 4.8068 5.4998 5.4998 5.5172 5.5172 5.6719 5.6719 5.6760 5.6760 11.0852 11.0852 11.0913 11.0913 12.5483 12.5483 12.5555 12.5555 12.8529 12.8529 k = 0.2949 0.5000 0.3132 ( 6720 PWs) bands (ev): -44.3210 -44.3210 -44.3210 -44.3210 -20.6698 -20.6698 -20.6698 -20.6698 -16.4477 -16.4477 -16.4413 -16.4413 -16.2816 -16.2816 -16.2732 -16.2732 -16.1458 -16.1458 -16.1440 -16.1440 -8.6227 -8.6227 -8.6226 -8.6226 -5.6902 -5.6902 -5.6123 -5.6123 -4.9192 -4.9192 -4.6200 -4.6200 -4.4284 -4.4284 -4.2015 -4.2015 4.8128 4.8128 4.8169 4.8169 5.4882 5.4882 5.5053 5.5053 5.6771 5.6771 5.6815 5.6815 11.1186 11.1186 11.1238 11.1238 12.5650 12.5650 12.5709 12.5709 12.8697 12.8697 k = 0.3077 0.5000 0.3132 ( 6716 PWs) bands (ev): -44.3210 -44.3210 -44.3210 -44.3210 -20.6688 -20.6688 -20.6688 -20.6688 -16.4497 -16.4497 -16.4436 -16.4436 -16.2821 -16.2821 -16.2742 -16.2742 -16.1432 -16.1432 -16.1416 -16.1416 -8.6178 -8.6178 -8.6177 -8.6177 -5.6993 -5.6993 -5.6249 -5.6249 -4.9182 -4.9182 -4.6316 -4.6316 -4.4261 -4.4261 -4.2086 -4.2086 4.8228 4.8228 4.8273 4.8273 5.4760 5.4760 5.4929 5.4929 5.6821 5.6821 5.6866 5.6866 11.1509 11.1509 11.1551 11.1551 12.5773 12.5773 12.5820 12.5820 12.8891 12.8891 k = 0.3205 0.5000 0.3132 ( 6720 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6679 -20.6679 -20.6679 -20.6679 -16.4517 -16.4517 -16.4459 -16.4459 -16.2826 -16.2826 -16.2752 -16.2752 -16.1408 -16.1408 -16.1393 -16.1393 -8.6131 -8.6131 -8.6130 -8.6130 -5.7080 -5.7080 -5.6374 -5.6374 -4.9161 -4.9161 -4.6433 -4.6433 -4.4235 -4.4235 -4.2163 -4.2163 4.8333 4.8333 4.8383 4.8383 5.4633 5.4633 5.4799 5.4799 5.6867 5.6867 5.6914 5.6914 11.1818 11.1818 11.1852 11.1852 12.5853 12.5853 12.5888 12.5888 12.9105 12.9105 k = 0.3333 0.5000 0.3132 ( 6724 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6671 -20.6671 -20.6670 -20.6670 -16.4536 -16.4536 -16.4482 -16.4482 -16.2830 -16.2830 -16.2761 -16.2761 -16.1385 -16.1385 -16.1372 -16.1372 -8.6085 -8.6085 -8.6085 -8.6085 -5.7164 -5.7164 -5.6499 -5.6499 -4.9129 -4.9129 -4.6551 -4.6551 -4.4206 -4.4206 -4.2244 -4.2244 4.8442 4.8442 4.8495 4.8495 5.4502 5.4502 5.4664 5.4664 5.6911 5.6911 5.6958 5.6958 11.2113 11.2113 11.2138 11.2138 12.5894 12.5894 12.5920 12.5920 12.9336 12.9336 k = 0.3462 0.5000 0.3132 ( 6724 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6662 -20.6662 -20.6662 -20.6662 -16.4554 -16.4554 -16.4503 -16.4503 -16.2834 -16.2834 -16.2770 -16.2770 -16.1364 -16.1364 -16.1352 -16.1352 -8.6041 -8.6041 -8.6041 -8.6041 -5.7243 -5.7243 -5.6621 -5.6621 -4.9088 -4.9088 -4.6669 -4.6669 -4.4173 -4.4173 -4.2329 -4.2329 4.8554 4.8554 4.8611 4.8611 5.4368 5.4368 5.4525 5.4525 5.6952 5.6952 5.6998 5.6998 11.2391 11.2391 11.2409 11.2409 12.5903 12.5903 12.5921 12.5921 12.9574 12.9574 k = 0.3590 0.5000 0.3132 ( 6720 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6654 -20.6654 -20.6654 -20.6654 -16.4570 -16.4570 -16.4523 -16.4523 -16.2836 -16.2836 -16.2777 -16.2777 -16.1344 -16.1344 -16.1334 -16.1334 -8.6000 -8.6000 -8.5999 -8.5999 -5.7316 -5.7316 -5.6741 -5.6741 -4.9038 -4.9038 -4.6787 -4.6787 -4.4137 -4.4137 -4.2417 -4.2417 4.8669 4.8669 4.8729 4.8729 5.4233 5.4233 5.4385 5.4385 5.6990 5.6990 5.7035 5.7035 11.2652 11.2652 11.2662 11.2662 12.5886 12.5886 12.5899 12.5899 12.9814 12.9814 k = 0.3718 0.5000 0.3132 ( 6720 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6647 -20.6647 -20.6647 -20.6647 -16.4585 -16.4585 -16.4542 -16.4542 -16.2839 -16.2839 -16.2785 -16.2785 -16.1326 -16.1326 -16.1317 -16.1317 -8.5961 -8.5961 -8.5960 -8.5960 -5.7382 -5.7382 -5.6856 -5.6856 -4.8979 -4.8979 -4.6905 -4.6905 -4.4096 -4.4096 -4.2508 -4.2508 4.8786 4.8786 4.8847 4.8847 5.4097 5.4097 5.4243 5.4243 5.7024 5.7024 5.7067 5.7067 11.2893 11.2893 11.2898 11.2898 12.5851 12.5851 12.5859 12.5859 13.0050 13.0050 k = 0.3846 0.5000 0.3132 ( 6720 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6640 -20.6640 -20.6640 -20.6640 -16.4599 -16.4599 -16.4559 -16.4559 -16.2840 -16.2840 -16.2791 -16.2791 -16.1309 -16.1309 -16.1301 -16.1301 -8.5925 -8.5925 -8.5924 -8.5924 -5.7443 -5.7443 -5.6965 -5.6965 -4.8913 -4.8913 -4.7023 -4.7023 -4.4051 -4.4051 -4.2601 -4.2601 4.8903 4.8903 4.8965 4.8965 5.3963 5.3963 5.4101 5.4101 5.7056 5.7056 5.7096 5.7096 11.3114 11.3114 11.3114 11.3114 12.5803 12.5803 12.5808 12.5808 13.0278 13.0278 k = 0.3974 0.5000 0.3132 ( 6716 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6634 -20.6634 -20.6634 -20.6634 -16.4611 -16.4611 -16.4575 -16.4575 -16.2841 -16.2841 -16.2798 -16.2798 -16.1294 -16.1294 -16.1288 -16.1288 -8.5892 -8.5892 -8.5891 -8.5891 -5.7495 -5.7495 -5.7069 -5.7069 -4.8840 -4.8840 -4.7142 -4.7142 -4.4001 -4.4001 -4.2696 -4.2696 4.9019 4.9019 4.9081 4.9081 5.3833 5.3833 5.3963 5.3963 5.7084 5.7084 5.7121 5.7121 11.3311 11.3311 11.3315 11.3315 12.5748 12.5748 12.5751 12.5751 13.0493 13.0493 k = 0.4103 0.5000 0.3132 ( 6712 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6628 -20.6628 -20.6628 -20.6628 -16.4621 -16.4621 -16.4590 -16.4590 -16.2841 -16.2841 -16.2803 -16.2803 -16.1281 -16.1281 -16.1275 -16.1275 -8.5862 -8.5862 -8.5862 -8.5862 -5.7540 -5.7540 -5.7165 -5.7165 -4.8760 -4.8760 -4.7260 -4.7260 -4.3946 -4.3946 -4.2791 -4.2791 4.9131 4.9131 4.9192 4.9192 5.3709 5.3709 5.3829 5.3829 5.7109 5.7109 5.7143 5.7143 11.3486 11.3486 11.3493 11.3493 12.5690 12.5690 12.5692 12.5692 13.0693 13.0693 k = 0.4231 0.5000 0.3132 ( 6712 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6623 -20.6623 -20.6623 -20.6623 -16.4630 -16.4630 -16.4604 -16.4604 -16.2841 -16.2841 -16.2809 -16.2809 -16.1270 -16.1270 -16.1265 -16.1265 -8.5836 -8.5836 -8.5835 -8.5835 -5.7576 -5.7576 -5.7254 -5.7254 -4.8674 -4.8674 -4.7378 -4.7378 -4.3887 -4.3887 -4.2887 -4.2887 4.9238 4.9238 4.9295 4.9295 5.3594 5.3594 5.3702 5.3702 5.7131 5.7131 5.7160 5.7160 11.3640 11.3640 11.3648 11.3648 12.5634 12.5634 12.5634 12.5634 13.0875 13.0875 k = 0.4359 0.5000 0.3132 ( 6720 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6619 -20.6619 -20.6619 -20.6619 -16.4638 -16.4638 -16.4615 -16.4615 -16.2841 -16.2841 -16.2814 -16.2814 -16.1260 -16.1260 -16.1256 -16.1256 -8.5813 -8.5813 -8.5813 -8.5813 -5.7603 -5.7603 -5.7334 -5.7334 -4.8584 -4.8584 -4.7496 -4.7496 -4.3824 -4.3824 -4.2983 -4.2983 4.9338 4.9338 4.9390 4.9390 5.3490 5.3490 5.3585 5.3585 5.7149 5.7149 5.7175 5.7175 11.3772 11.3772 11.3781 11.3781 12.5581 12.5581 12.5581 12.5581 13.1036 13.1036 k = 0.4487 0.5000 0.3132 ( 6708 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6615 -20.6615 -20.6615 -20.6615 -16.4643 -16.4643 -16.4625 -16.4625 -16.2840 -16.2840 -16.2818 -16.2818 -16.1252 -16.1252 -16.1249 -16.1249 -8.5794 -8.5794 -8.5794 -8.5794 -5.7621 -5.7621 -5.7405 -5.7405 -4.8488 -4.8488 -4.7613 -4.7613 -4.3755 -4.3755 -4.3078 -4.3078 4.9426 4.9426 4.9471 4.9471 5.3401 5.3401 5.3480 5.3480 5.7165 5.7165 5.7186 5.7186 11.3882 11.3882 11.3889 11.3889 12.5535 12.5535 12.5535 12.5535 13.1174 13.1174 k = 0.4615 0.5000 0.3132 ( 6688 PWs) bands (ev): -44.3208 -44.3208 -44.3208 -44.3208 -20.6612 -20.6612 -20.6612 -20.6612 -16.4647 -16.4647 -16.4633 -16.4633 -16.2838 -16.2838 -16.2822 -16.2822 -16.1245 -16.1245 -16.1242 -16.1242 -8.5780 -8.5780 -8.5780 -8.5780 -5.7629 -5.7629 -5.7467 -5.7467 -4.8389 -4.8389 -4.7729 -4.7729 -4.3683 -4.3683 -4.3172 -4.3172 4.9501 4.9501 4.9537 4.9537 5.3331 5.3331 5.3392 5.3392 5.7178 5.7178 5.7194 5.7194 11.3967 11.3967 11.3974 11.3974 12.5497 12.5497 12.5497 12.5497 13.1285 13.1285 k = 0.4744 0.5000 0.3132 ( 6688 PWs) bands (ev): -44.3208 -44.3208 -44.3208 -44.3208 -20.6610 -20.6610 -20.6610 -20.6610 -16.4649 -16.4649 -16.4640 -16.4640 -16.2837 -16.2837 -16.2826 -16.2826 -16.1240 -16.1240 -16.1238 -16.1238 -8.5769 -8.5769 -8.5769 -8.5769 -5.7627 -5.7627 -5.7519 -5.7519 -4.8285 -4.8285 -4.7845 -4.7845 -4.3606 -4.3606 -4.3264 -4.3264 4.9560 4.9560 4.9585 4.9585 5.3281 5.3281 5.3323 5.3323 5.7188 5.7188 5.7199 5.7199 11.4030 11.4030 11.4034 11.4034 12.5469 12.5469 12.5469 12.5469 13.1367 13.1367 k = 0.4872 0.5000 0.3132 ( 6676 PWs) bands (ev): -44.3208 -44.3208 -44.3208 -44.3208 -20.6609 -20.6609 -20.6609 -20.6609 -16.4649 -16.4649 -16.4644 -16.4644 -16.2834 -16.2834 -16.2829 -16.2829 -16.1237 -16.1237 -16.1236 -16.1236 -8.5763 -8.5763 -8.5763 -8.5763 -5.7615 -5.7615 -5.7561 -5.7561 -4.8179 -4.8179 -4.7958 -4.7958 -4.3525 -4.3525 -4.3354 -4.3354 4.9599 4.9599 4.9612 4.9612 5.3254 5.3254 5.3276 5.3276 5.7195 5.7195 5.7201 5.7201 11.4067 11.4067 11.4070 11.4070 12.5452 12.5452 12.5452 12.5452 13.1419 13.1419 k = 0.5000 0.5000 0.3132 ( 6664 PWs) bands (ev): -44.3208 -44.3208 -44.3208 -44.3208 -20.6609 -20.6609 -20.6609 -20.6609 -16.4647 -16.4647 -16.4647 -16.4647 -16.2831 -16.2831 -16.2831 -16.2831 -16.1235 -16.1235 -16.1235 -16.1235 -8.5761 -8.5761 -8.5761 -8.5761 -5.7593 -5.7593 -5.7593 -5.7593 -4.8070 -4.8070 -4.8070 -4.8070 -4.3441 -4.3441 -4.3441 -4.3441 4.9617 4.9617 4.9617 4.9617 5.3253 5.3253 5.3253 5.3253 5.7200 5.7200 5.7200 5.7200 11.4081 11.4081 11.4081 11.4081 12.5447 12.5447 12.5447 12.5447 13.1438 13.1438 k = 0.5000 0.5000 0.3132 ( 6664 PWs) bands (ev): -44.3208 -44.3208 -44.3208 -44.3208 -20.6609 -20.6609 -20.6609 -20.6609 -16.4647 -16.4647 -16.4647 -16.4647 -16.2831 -16.2831 -16.2831 -16.2831 -16.1235 -16.1235 -16.1235 -16.1235 -8.5761 -8.5761 -8.5761 -8.5761 -5.7593 -5.7593 -5.7593 -5.7593 -4.8070 -4.8070 -4.8070 -4.8070 -4.3441 -4.3441 -4.3441 -4.3441 4.9617 4.9617 4.9617 4.9617 5.3253 5.3253 5.3253 5.3253 5.7200 5.7200 5.7200 5.7200 11.4081 11.4081 11.4081 11.4081 12.5447 12.5447 12.5447 12.5447 13.1438 13.1438 k = 0.4909 0.4909 0.3132 ( 6676 PWs) bands (ev): -44.3209 -44.3209 -44.3208 -44.3208 -20.6610 -20.6610 -20.6608 -20.6608 -16.4649 -16.4649 -16.4644 -16.4644 -16.2834 -16.2834 -16.2829 -16.2829 -16.1237 -16.1237 -16.1236 -16.1236 -8.5764 -8.5764 -8.5762 -8.5762 -5.7616 -5.7616 -5.7561 -5.7561 -4.8179 -4.8179 -4.7958 -4.7958 -4.3526 -4.3526 -4.3354 -4.3354 4.9589 4.9589 4.9622 4.9622 5.3250 5.3250 5.3280 5.3280 5.7194 5.7194 5.7202 5.7202 11.4060 11.4060 11.4077 11.4077 12.5435 12.5435 12.5469 12.5469 13.1389 13.1389 k = 0.4818 0.4818 0.3132 ( 6688 PWs) bands (ev): -44.3209 -44.3209 -44.3208 -44.3208 -20.6615 -20.6615 -20.6606 -20.6606 -16.4649 -16.4649 -16.4639 -16.4639 -16.2837 -16.2837 -16.2826 -16.2826 -16.1242 -16.1242 -16.1236 -16.1236 -8.5773 -8.5773 -8.5765 -8.5765 -5.7629 -5.7629 -5.7518 -5.7518 -4.8286 -4.8286 -4.7844 -4.7844 -4.3607 -4.3607 -4.3264 -4.3264 4.9513 4.9513 4.9633 4.9633 5.3256 5.3256 5.3346 5.3346 5.7183 5.7183 5.7205 5.7205 11.3999 11.3999 11.4065 11.4065 12.5402 12.5402 12.5537 12.5537 13.1243 13.1243 k = 0.4727 0.4727 0.3132 ( 6704 PWs) bands (ev): -44.3210 -44.3210 -44.3207 -44.3207 -20.6623 -20.6623 -20.6601 -20.6601 -16.4649 -16.4649 -16.4631 -16.4631 -16.2839 -16.2839 -16.2822 -16.2822 -16.1251 -16.1251 -16.1237 -16.1237 -8.5789 -8.5789 -8.5771 -8.5771 -5.7633 -5.7633 -5.7462 -5.7462 -4.8390 -4.8390 -4.7728 -4.7728 -4.3684 -4.3684 -4.3171 -4.3171 4.9394 4.9394 4.9652 4.9652 5.3267 5.3267 5.3448 5.3448 5.7163 5.7163 5.7209 5.7209 11.3901 11.3901 11.4044 11.4044 12.5347 12.5347 12.5649 12.5649 13.1010 13.1010 k = 0.4636 0.4636 0.3132 ( 6710 PWs) bands (ev): -44.3211 -44.3211 -44.3206 -44.3206 -20.6635 -20.6635 -20.6596 -20.6596 -16.4647 -16.4647 -16.4621 -16.4621 -16.2840 -16.2840 -16.2818 -16.2818 -16.1262 -16.1262 -16.1238 -16.1238 -8.5811 -8.5811 -8.5778 -8.5778 -5.7630 -5.7630 -5.7395 -5.7395 -4.8491 -4.8491 -4.7610 -4.7610 -4.3757 -4.3757 -4.3077 -4.3077 4.9242 4.9242 4.9679 4.9679 5.3282 5.3282 5.3577 5.3577 5.7136 5.7136 5.7216 5.7216 11.3769 11.3769 11.4015 11.4015 12.5268 12.5268 12.5805 12.5805 13.0698 13.0698 k = 0.4545 0.4545 0.3132 ( 6710 PWs) bands (ev): -44.3212 -44.3212 -44.3205 -44.3205 -20.6649 -20.6649 -20.6589 -20.6589 -16.4645 -16.4645 -16.4608 -16.4608 -16.2841 -16.2841 -16.2814 -16.2814 -16.1276 -16.1276 -16.1240 -16.1240 -8.5838 -8.5838 -8.5788 -8.5788 -5.7621 -5.7621 -5.7315 -5.7315 -4.8588 -4.8588 -4.7490 -4.7490 -4.3826 -4.3826 -4.2981 -4.2981 4.9066 4.9066 4.9713 4.9713 5.3300 5.3300 5.3724 5.3724 5.7102 5.7102 5.7224 5.7224 11.3608 11.3608 11.3976 11.3976 12.5167 12.5167 12.6003 12.6003 13.0319 13.0319 k = 0.4455 0.4455 0.3132 ( 6710 PWs) bands (ev): -44.3214 -44.3214 -44.3203 -44.3203 -20.6667 -20.6667 -20.6580 -20.6580 -16.4642 -16.4642 -16.4592 -16.4592 -16.2841 -16.2841 -16.2809 -16.2809 -16.1293 -16.1293 -16.1241 -16.1241 -8.5871 -8.5871 -8.5799 -8.5799 -5.7606 -5.7606 -5.7222 -5.7222 -4.8681 -4.8681 -4.7369 -4.7369 -4.3892 -4.3892 -4.2885 -4.2885 4.8874 4.8874 4.9755 4.9755 5.3321 5.3321 5.3881 5.3881 5.7062 5.7062 5.7235 5.7235 11.3426 11.3426 11.3927 11.3927 12.5043 12.5043 12.6241 12.6241 12.9884 12.9884 k = 0.4364 0.4364 0.3132 ( 6706 PWs) bands (ev): -44.3216 -44.3216 -44.3201 -44.3201 -20.6687 -20.6687 -20.6569 -20.6569 -16.4639 -16.4639 -16.4573 -16.4573 -16.2841 -16.2841 -16.2803 -16.2803 -16.1312 -16.1312 -16.1243 -16.1243 -8.5910 -8.5910 -8.5812 -8.5812 -5.7585 -5.7585 -5.7117 -5.7117 -4.8770 -4.8770 -4.7246 -4.7246 -4.3953 -4.3953 -4.2789 -4.2789 4.8674 4.8674 4.9805 4.9805 5.3343 5.3343 5.4040 5.4040 5.7015 5.7015 5.7247 5.7247 11.3227 11.3227 11.3868 11.3868 12.4896 12.4896 12.6516 12.6516 12.9403 12.9403 k = 0.4273 0.4273 0.3132 ( 6702 PWs) bands (ev): -44.3219 -44.3219 -44.3199 -44.3199 -20.6711 -20.6711 -20.6557 -20.6557 -16.4635 -16.4635 -16.4552 -16.4552 -16.2840 -16.2840 -16.2798 -16.2798 -16.1334 -16.1334 -16.1245 -16.1245 -8.5954 -8.5954 -8.5826 -8.5826 -5.7560 -5.7560 -5.7000 -5.7000 -4.8854 -4.8854 -4.7121 -4.7121 -4.4010 -4.4010 -4.2693 -4.2693 4.8473 4.8473 4.9862 4.9862 5.3366 5.3366 5.4197 5.4197 5.6962 5.6962 5.7261 5.7261 11.3018 11.3018 11.3796 11.3796 12.4725 12.4725 12.6824 12.6824 12.8884 12.8884 k = 0.4182 0.4182 0.3132 ( 6706 PWs) bands (ev): -44.3221 -44.3221 -44.3197 -44.3197 -20.6737 -20.6737 -20.6544 -20.6544 -16.4630 -16.4630 -16.4528 -16.4528 -16.2839 -16.2839 -16.2791 -16.2791 -16.1360 -16.1360 -16.1248 -16.1248 -8.6003 -8.6003 -8.5841 -8.5841 -5.7531 -5.7531 -5.6872 -5.6872 -4.8934 -4.8934 -4.6995 -4.6995 -4.4064 -4.4064 -4.2598 -4.2598 4.8274 4.8274 4.9926 4.9926 5.3388 5.3388 5.4348 5.4348 5.6905 5.6905 5.7277 5.7277 11.2804 11.2804 11.3710 11.3710 12.4533 12.4533 12.7159 12.7159 12.8333 12.8333 k = 0.4091 0.4091 0.3132 ( 6724 PWs) bands (ev): -44.3224 -44.3224 -44.3194 -44.3194 -20.6767 -20.6767 -20.6529 -20.6529 -16.4625 -16.4625 -16.4504 -16.4504 -16.2837 -16.2837 -16.2785 -16.2785 -16.1388 -16.1388 -16.1251 -16.1251 -8.6057 -8.6057 -8.5856 -8.5856 -5.7498 -5.7498 -5.6734 -5.6734 -4.9008 -4.9008 -4.6866 -4.6866 -4.4113 -4.4113 -4.2506 -4.2506 4.8083 4.8083 4.9998 4.9998 5.3408 5.3408 5.4487 5.4487 5.6844 5.6844 5.7295 5.7295 11.2591 11.2591 11.3610 11.3610 12.4319 12.4319 12.7490 12.7490 12.7781 12.7781 k = 0.4000 0.4000 0.3132 ( 6716 PWs) bands (ev): -44.3227 -44.3227 -44.3191 -44.3191 -20.6799 -20.6799 -20.6513 -20.6513 -16.4620 -16.4620 -16.4476 -16.4476 -16.2835 -16.2835 -16.2778 -16.2778 -16.1418 -16.1418 -16.1254 -16.1254 -8.6115 -8.6115 -8.5872 -8.5872 -5.7462 -5.7462 -5.6586 -5.6586 -4.9076 -4.9076 -4.6734 -4.6734 -4.4159 -4.4159 -4.2416 -4.2416 4.7903 4.7903 5.0077 5.0077 5.3423 5.3423 5.4615 5.4615 5.6782 5.6782 5.7315 5.7315 11.2383 11.2383 11.3492 11.3492 12.4085 12.4085 12.7124 12.7124 12.7914 12.7914 k = 0.3909 0.3909 0.3132 ( 6724 PWs) bands (ev): -44.3231 -44.3231 -44.3188 -44.3188 -20.6833 -20.6833 -20.6496 -20.6496 -16.4614 -16.4614 -16.4447 -16.4447 -16.2831 -16.2831 -16.2771 -16.2771 -16.1452 -16.1452 -16.1257 -16.1257 -8.6176 -8.6176 -8.5888 -8.5888 -5.7422 -5.7422 -5.6430 -5.6430 -4.9139 -4.9139 -4.6601 -4.6601 -4.4201 -4.4201 -4.2330 -4.2330 4.7736 4.7736 5.0163 5.0163 5.3432 5.3432 5.4727 5.4727 5.6721 5.6721 5.7336 5.7336 11.2183 11.2183 11.3355 11.3355 12.3834 12.3834 12.6503 12.6503 12.8283 12.8283 k = 0.3818 0.3818 0.3132 ( 6724 PWs) bands (ev): -44.3234 -44.3234 -44.3185 -44.3185 -20.6870 -20.6870 -20.6477 -20.6477 -16.4608 -16.4608 -16.4416 -16.4416 -16.2827 -16.2827 -16.2762 -16.2762 -16.1487 -16.1487 -16.1260 -16.1260 -8.6241 -8.6241 -8.5904 -8.5904 -5.7381 -5.7381 -5.6266 -5.6266 -4.9196 -4.9196 -4.6465 -4.6465 -4.4240 -4.4240 -4.2248 -4.2248 4.7585 4.7585 5.0256 5.0256 5.3432 5.3432 5.4824 5.4824 5.6662 5.6662 5.7360 5.7360 11.1991 11.1991 11.3198 11.3198 12.3570 12.3570 12.5857 12.5857 12.8644 12.8644 k = 0.3727 0.3727 0.3132 ( 6724 PWs) bands (ev): -44.3238 -44.3238 -44.3181 -44.3181 -20.6910 -20.6910 -20.6457 -20.6457 -16.4602 -16.4602 -16.4384 -16.4384 -16.2822 -16.2822 -16.2754 -16.2754 -16.1523 -16.1523 -16.1264 -16.1264 -8.6309 -8.6309 -8.5919 -8.5919 -5.7337 -5.7337 -5.6096 -5.6096 -4.9247 -4.9247 -4.6327 -4.6327 -4.4275 -4.4275 -4.2170 -4.2170 4.7452 4.7452 5.0356 5.0356 5.3420 5.3420 5.4905 5.4905 5.6609 5.6609 5.7385 5.7385 11.1810 11.1810 11.3016 11.3016 12.3297 12.3297 12.5190 12.5190 12.8971 12.8971 k = 0.3636 0.3636 0.3132 ( 6728 PWs) bands (ev): -44.3242 -44.3242 -44.3177 -44.3177 -20.6951 -20.6951 -20.6436 -20.6436 -16.4596 -16.4596 -16.4351 -16.4351 -16.2817 -16.2817 -16.2744 -16.2744 -16.1562 -16.1562 -16.1267 -16.1267 -8.6380 -8.6380 -8.5933 -8.5933 -5.7292 -5.7292 -5.5920 -5.5920 -4.9291 -4.9291 -4.6186 -4.6186 -4.4306 -4.4306 -4.2097 -4.2097 4.7339 4.7339 5.0463 5.0463 5.3395 5.3395 5.4968 5.4968 5.6563 5.6563 5.7412 5.7412 11.1636 11.1636 11.2808 11.2808 12.3020 12.3020 12.4505 12.4505 12.9241 12.9241 k = 0.3545 0.3545 0.3132 ( 6728 PWs) bands (ev): -44.3247 -44.3247 -44.3173 -44.3173 -20.6995 -20.6995 -20.6414 -20.6414 -16.4589 -16.4589 -16.4317 -16.4317 -16.2811 -16.2811 -16.2734 -16.2734 -16.1602 -16.1602 -16.1270 -16.1270 -8.6453 -8.6453 -8.5947 -8.5947 -5.7245 -5.7245 -5.5740 -5.5740 -4.9330 -4.9330 -4.6044 -4.6044 -4.4334 -4.4334 -4.2029 -4.2029 4.7245 4.7245 5.0577 5.0577 5.3353 5.3353 5.5016 5.5016 5.6528 5.6528 5.7442 5.7442 11.1469 11.1469 11.2570 11.2570 12.2747 12.2747 12.3803 12.3803 12.9427 12.9427 k = 0.3455 0.3455 0.3132 ( 6718 PWs) bands (ev): -44.3251 -44.3251 -44.3169 -44.3169 -20.7041 -20.7041 -20.6391 -20.6391 -16.4582 -16.4582 -16.4283 -16.4283 -16.2804 -16.2804 -16.2722 -16.2722 -16.1643 -16.1643 -16.1274 -16.1274 -8.6527 -8.6527 -8.5958 -8.5958 -5.7198 -5.7198 -5.5557 -5.5557 -4.9362 -4.9362 -4.5902 -4.5902 -4.4358 -4.4358 -4.1966 -4.1966 4.7172 4.7172 5.0697 5.0697 5.3294 5.3294 5.5047 5.5047 5.6506 5.6506 5.7473 5.7473 11.1303 11.1303 11.2301 11.2301 12.2484 12.2484 12.3084 12.3084 12.9508 12.9508 k = 0.3364 0.3364 0.3132 ( 6716 PWs) bands (ev): -44.3256 -44.3256 -44.3164 -44.3164 -20.7088 -20.7088 -20.6367 -20.6367 -16.4575 -16.4575 -16.4249 -16.4249 -16.2797 -16.2797 -16.2709 -16.2709 -16.1685 -16.1685 -16.1278 -16.1278 -8.6603 -8.6603 -8.5969 -8.5969 -5.7150 -5.7150 -5.5372 -5.5372 -4.9387 -4.9387 -4.5761 -4.5761 -4.4376 -4.4376 -4.1909 -4.1909 4.7120 4.7120 5.0823 5.0823 5.3216 5.3216 5.5064 5.5064 5.6498 5.6498 5.7506 5.7506 11.1132 11.1132 11.1997 11.1997 12.2228 12.2228 12.2364 12.2364 12.9481 12.9481 k = 0.3273 0.3273 0.3132 ( 6724 PWs) bands (ev): -44.3261 -44.3261 -44.3160 -44.3160 -20.7137 -20.7137 -20.6342 -20.6342 -16.4568 -16.4568 -16.4216 -16.4216 -16.2790 -16.2790 -16.2695 -16.2695 -16.1729 -16.1729 -16.1281 -16.1281 -8.6679 -8.6679 -8.5977 -8.5977 -5.7102 -5.7102 -5.5185 -5.5185 -4.9407 -4.9407 -4.5624 -4.5624 -4.4387 -4.4387 -4.1858 -4.1858 4.7089 4.7089 5.0956 5.0956 5.3120 5.3120 5.5068 5.5068 5.6504 5.6504 5.7542 5.7542 11.0949 11.0949 11.1657 11.1657 12.1585 12.1585 12.2046 12.2046 12.9359 12.9359 k = 0.3182 0.3182 0.3132 ( 6736 PWs) bands (ev): -44.3266 -44.3266 -44.3155 -44.3155 -20.7188 -20.7188 -20.6316 -20.6316 -16.4561 -16.4561 -16.4183 -16.4183 -16.2783 -16.2783 -16.2680 -16.2680 -16.1773 -16.1773 -16.1285 -16.1285 -8.6756 -8.6756 -8.5984 -8.5984 -5.7055 -5.7055 -5.4997 -5.4997 -4.9420 -4.9420 -4.5494 -4.5494 -4.4387 -4.4387 -4.1812 -4.1812 4.7078 4.7078 5.1094 5.1094 5.3007 5.3007 5.5059 5.5059 5.6524 5.6524 5.7579 5.7579 11.0745 11.0745 11.1280 11.1280 12.0822 12.0822 12.1878 12.1878 12.9166 12.9166 k = 0.3091 0.3091 0.3132 ( 6736 PWs) bands (ev): -44.3271 -44.3271 -44.3150 -44.3150 -20.7240 -20.7240 -20.6290 -20.6290 -16.4553 -16.4553 -16.4151 -16.4151 -16.2775 -16.2775 -16.2662 -16.2662 -16.1817 -16.1817 -16.1289 -16.1289 -8.6833 -8.6833 -8.5988 -8.5988 -5.7008 -5.7008 -5.4810 -5.4810 -4.9426 -4.9426 -4.5378 -4.5378 -4.4372 -4.4372 -4.1771 -4.1771 4.7086 4.7086 5.1237 5.1237 5.2879 5.2879 5.5042 5.5042 5.6558 5.6558 5.7618 5.7618 11.0506 11.0506 11.0869 11.0869 12.0044 12.0044 12.1765 12.1765 12.8927 12.8927 k = 0.3000 0.3000 0.3132 ( 6746 PWs) bands (ev): -44.3276 -44.3276 -44.3145 -44.3145 -20.7293 -20.7293 -20.6263 -20.6263 -16.4547 -16.4547 -16.4120 -16.4120 -16.2769 -16.2769 -16.2642 -16.2642 -16.1862 -16.1862 -16.1293 -16.1293 -8.6909 -8.6909 -8.5991 -8.5991 -5.6962 -5.6962 -5.4623 -5.4623 -4.9427 -4.9427 -4.5284 -4.5284 -4.4336 -4.4336 -4.1734 -4.1734 4.7111 4.7111 5.1386 5.1386 5.2738 5.2738 5.5017 5.5017 5.6603 5.6603 5.7659 5.7659 11.0208 11.0208 11.0444 11.0444 11.9256 11.9256 12.1715 12.1715 12.8665 12.8665 k = 0.2909 0.2909 0.3132 ( 6738 PWs) bands (ev): -44.3281 -44.3281 -44.3140 -44.3140 -20.7346 -20.7346 -20.6236 -20.6236 -16.4540 -16.4540 -16.4090 -16.4090 -16.2763 -16.2763 -16.2619 -16.2619 -16.1906 -16.1906 -16.1295 -16.1295 -8.6984 -8.6984 -8.5990 -8.5990 -5.6918 -5.6918 -5.4437 -5.4437 -4.9421 -4.9421 -4.5218 -4.5218 -4.4272 -4.4272 -4.1702 -4.1702 4.7153 4.7153 5.1540 5.1540 5.2588 5.2588 5.4989 5.4989 5.6658 5.6658 5.7703 5.7703 10.9793 10.9793 11.0053 11.0053 11.8461 11.8461 12.1735 12.1735 12.8395 12.8395 k = 0.2818 0.2818 0.3132 ( 6738 PWs) bands (ev): -44.3287 -44.3287 -44.3135 -44.3135 -20.7401 -20.7401 -20.6208 -20.6208 -16.4534 -16.4534 -16.4062 -16.4062 -16.2758 -16.2758 -16.2594 -16.2594 -16.1949 -16.1949 -16.1298 -16.1298 -8.7058 -8.7058 -8.5988 -8.5988 -5.6875 -5.6875 -5.4254 -5.4254 -4.9410 -4.9410 -4.5183 -4.5183 -4.4179 -4.4179 -4.1673 -4.1673 4.7207 4.7207 5.1698 5.1698 5.2432 5.2432 5.4959 5.4959 5.6722 5.6722 5.7748 5.7748 10.9274 10.9274 10.9683 10.9683 11.7662 11.7662 12.1831 12.1831 12.8130 12.8130 k = 0.2727 0.2727 0.3132 ( 6738 PWs) bands (ev): -44.3292 -44.3292 -44.3130 -44.3130 -20.7456 -20.7456 -20.6180 -20.6180 -16.4528 -16.4528 -16.4035 -16.4035 -16.2755 -16.2755 -16.2567 -16.2567 -16.1992 -16.1992 -16.1301 -16.1301 -8.7131 -8.7131 -8.5983 -8.5983 -5.6834 -5.6834 -5.4072 -5.4072 -4.9393 -4.9393 -4.5178 -4.5178 -4.4061 -4.4061 -4.1646 -4.1646 4.7271 4.7271 5.1861 5.1861 5.2274 5.2274 5.4932 5.4932 5.6791 5.6791 5.7795 5.7795 10.8699 10.8699 10.9286 10.9286 11.6863 11.6863 12.2005 12.2005 12.7878 12.7878 k = 0.2636 0.2636 0.3132 ( 6724 PWs) bands (ev): -44.3298 -44.3298 -44.3125 -44.3125 -20.7512 -20.7512 -20.6152 -20.6152 -16.4523 -16.4523 -16.4010 -16.4010 -16.2752 -16.2752 -16.2537 -16.2537 -16.2033 -16.2033 -16.1303 -16.1303 -8.7202 -8.7202 -8.5976 -8.5976 -5.6796 -5.6796 -5.3893 -5.3893 -4.9370 -4.9370 -4.5197 -4.5197 -4.3923 -4.3923 -4.1622 -4.1622 4.7342 4.7342 5.2020 5.2020 5.2122 5.2122 5.4911 5.4911 5.6865 5.6865 5.7845 5.7845 10.8083 10.8083 10.8851 10.8851 11.6065 11.6065 12.2256 12.2256 12.7643 12.7643 k = 0.2545 0.2545 0.3132 ( 6716 PWs) bands (ev): -44.3303 -44.3303 -44.3119 -44.3119 -20.7568 -20.7568 -20.6124 -20.6124 -16.4517 -16.4517 -16.3988 -16.3988 -16.2751 -16.2751 -16.2505 -16.2505 -16.2071 -16.2071 -16.1304 -16.1304 -8.7271 -8.7271 -8.5966 -8.5966 -5.6760 -5.6760 -5.3716 -5.3716 -4.9342 -4.9342 -4.5236 -4.5236 -4.3771 -4.3771 -4.1599 -4.1599 4.7417 4.7417 5.1953 5.1953 5.2204 5.2204 5.4900 5.4900 5.6940 5.6940 5.7896 5.7896 10.7433 10.7433 10.8377 10.8377 11.5274 11.5274 12.2583 12.2583 12.7429 12.7429 k = 0.2455 0.2455 0.3132 ( 6722 PWs) bands (ev): -44.3309 -44.3309 -44.3114 -44.3114 -20.7624 -20.7624 -20.6095 -20.6095 -16.4513 -16.4513 -16.3968 -16.3968 -16.2752 -16.2752 -16.2472 -16.2472 -16.2108 -16.2108 -16.1306 -16.1306 -8.7337 -8.7337 -8.5955 -8.5955 -5.6727 -5.6727 -5.3543 -5.3543 -4.9309 -4.9309 -4.5292 -4.5292 -4.3612 -4.3612 -4.1577 -4.1577 4.7491 4.7491 5.1805 5.1805 5.2376 5.2376 5.4903 5.4903 5.7015 5.7015 5.7949 5.7949 10.6755 10.6755 10.7867 10.7867 11.4492 11.4492 12.2979 12.2979 12.7238 12.7238 k = 0.2364 0.2364 0.3132 ( 6722 PWs) bands (ev): -44.3314 -44.3314 -44.3109 -44.3109 -20.7679 -20.7679 -20.6067 -20.6067 -16.4509 -16.4509 -16.3949 -16.3949 -16.2755 -16.2755 -16.2437 -16.2437 -16.2143 -16.2143 -16.1306 -16.1306 -8.7400 -8.7400 -8.5941 -8.5941 -5.6696 -5.6696 -5.3372 -5.3372 -4.9272 -4.9272 -4.5360 -4.5360 -4.3449 -4.3449 -4.1554 -4.1554 4.7560 4.7560 5.1664 5.1664 5.2551 5.2551 5.4924 5.4924 5.7089 5.7089 5.8005 5.8005 10.6054 10.6054 10.7325 10.7325 11.3722 11.3722 12.3441 12.3441 12.7072 12.7072 k = 0.2273 0.2273 0.3132 ( 6722 PWs) bands (ev): -44.3319 -44.3319 -44.3104 -44.3104 -20.7735 -20.7735 -20.6039 -20.6039 -16.4507 -16.4507 -16.3933 -16.3933 -16.2760 -16.2760 -16.2400 -16.2400 -16.2175 -16.2175 -16.1305 -16.1305 -8.7461 -8.7461 -8.5925 -8.5925 -5.6669 -5.6669 -5.3204 -5.3204 -4.9230 -4.9230 -4.5440 -4.5440 -4.3286 -4.3286 -4.1530 -4.1530 4.7621 4.7621 5.1534 5.1534 5.2729 5.2729 5.4965 5.4965 5.7159 5.7159 5.8061 5.8061 10.5336 10.5336 10.6757 10.6757 11.2967 11.2967 12.3961 12.3961 12.6931 12.6931 k = 0.2182 0.2182 0.3132 ( 6734 PWs) bands (ev): -44.3325 -44.3325 -44.3099 -44.3099 -20.7790 -20.7790 -20.6011 -20.6011 -16.4504 -16.4504 -16.3919 -16.3919 -16.2767 -16.2767 -16.2364 -16.2364 -16.2204 -16.2204 -16.1305 -16.1305 -8.7519 -8.7519 -8.5907 -8.5907 -5.6644 -5.6644 -5.3039 -5.3039 -4.9184 -4.9184 -4.5530 -4.5530 -4.3124 -4.3124 -4.1504 -4.1504 4.7669 4.7669 5.1418 5.1418 5.2909 5.2909 5.5031 5.5031 5.7224 5.7224 5.8120 5.8120 10.4606 10.4606 10.6168 10.6168 11.2230 11.2230 12.4532 12.4532 12.6814 12.6814 k = 0.2091 0.2091 0.3132 ( 6734 PWs) bands (ev): -44.3330 -44.3330 -44.3094 -44.3094 -20.7844 -20.7844 -20.5983 -20.5983 -16.4502 -16.4502 -16.3907 -16.3907 -16.2777 -16.2777 -16.2326 -16.2326 -16.2228 -16.2228 -16.1304 -16.1304 -8.7574 -8.7574 -8.5887 -8.5887 -5.6623 -5.6623 -5.2876 -5.2876 -4.9134 -4.9134 -4.5629 -4.5629 -4.2966 -4.2966 -4.1476 -4.1476 4.7704 4.7704 5.1317 5.1317 5.3090 5.3090 5.5122 5.5122 5.7284 5.7284 5.8180 5.8180 10.3868 10.3868 10.5564 10.5564 11.1513 11.1513 12.5147 12.5147 12.6722 12.6722 k = 0.2000 0.2000 0.3132 ( 6726 PWs) bands (ev): -44.3336 -44.3336 -44.3088 -44.3088 -20.7897 -20.7897 -20.5956 -20.5956 -16.4501 -16.4501 -16.3896 -16.3896 -16.2788 -16.2788 -16.2287 -16.2287 -16.2250 -16.2250 -16.1301 -16.1301 -8.7626 -8.7626 -8.5866 -8.5866 -5.6604 -5.6604 -5.2717 -5.2717 -4.9082 -4.9082 -4.5736 -4.5736 -4.2813 -4.2813 -4.1445 -4.1445 4.7722 4.7722 5.1233 5.1233 5.3271 5.3271 5.5241 5.5241 5.7335 5.7335 5.8241 5.8241 10.3128 10.3128 10.4949 10.4949 11.0819 11.0819 12.5799 12.5799 12.6654 12.6654 k = 0.1909 0.1909 0.3132 ( 6722 PWs) bands (ev): -44.3341 -44.3341 -44.3084 -44.3084 -20.7950 -20.7950 -20.5930 -20.5930 -16.4501 -16.4501 -16.3886 -16.3886 -16.2801 -16.2801 -16.2268 -16.2268 -16.2249 -16.2249 -16.1298 -16.1298 -8.7674 -8.7674 -8.5844 -8.5844 -5.6589 -5.6589 -5.2560 -5.2560 -4.9027 -4.9027 -4.5851 -4.5851 -4.2668 -4.2668 -4.1410 -4.1410 4.7722 4.7722 5.1167 5.1167 5.3452 5.3452 5.5386 5.5386 5.7378 5.7378 5.8304 5.8304 10.2391 10.2391 10.4328 10.4328 11.0150 11.0150 12.6477 12.6477 12.6608 12.6608 k = 0.1818 0.1818 0.3132 ( 6722 PWs) bands (ev): -44.3346 -44.3346 -44.3079 -44.3079 -20.8001 -20.8001 -20.5903 -20.5903 -16.4502 -16.4502 -16.3878 -16.3878 -16.2817 -16.2817 -16.2283 -16.2283 -16.2211 -16.2211 -16.1294 -16.1294 -8.7719 -8.7719 -8.5820 -8.5820 -5.6576 -5.6576 -5.2406 -5.2406 -4.8970 -4.8970 -4.5971 -4.5971 -4.2530 -4.2530 -4.1372 -4.1372 4.7705 4.7705 5.1122 5.1122 5.3632 5.3632 5.5557 5.5557 5.7410 5.7410 5.8367 5.8367 10.1661 10.1661 10.3706 10.3706 10.9508 10.9508 12.6570 12.6570 12.6950 12.6950 k = 0.1727 0.1727 0.3132 ( 6722 PWs) bands (ev): -44.3351 -44.3351 -44.3074 -44.3074 -20.8051 -20.8051 -20.5878 -20.5878 -16.4503 -16.4503 -16.3872 -16.3872 -16.2833 -16.2833 -16.2295 -16.2295 -16.2175 -16.2175 -16.1289 -16.1289 -8.7761 -8.7761 -8.5796 -8.5796 -5.6566 -5.6566 -5.2255 -5.2255 -4.8911 -4.8911 -4.6097 -4.6097 -4.2402 -4.2402 -4.1330 -4.1330 4.7670 4.7670 5.1096 5.1096 5.3811 5.3811 5.5752 5.5752 5.7432 5.7432 5.8432 5.8432 10.0942 10.0942 10.3087 10.3087 10.8894 10.8894 12.6387 12.6387 12.6664 12.6664 k = 0.1636 0.1636 0.3132 ( 6722 PWs) bands (ev): -44.3356 -44.3356 -44.3069 -44.3069 -20.8099 -20.8099 -20.5854 -20.5854 -16.4506 -16.4506 -16.3867 -16.3867 -16.2850 -16.2850 -16.2304 -16.2304 -16.2140 -16.2140 -16.1282 -16.1282 -8.7799 -8.7799 -8.5771 -8.5771 -5.6560 -5.6560 -5.2105 -5.2105 -4.8852 -4.8852 -4.6228 -4.6228 -4.2285 -4.2285 -4.1283 -4.1283 4.7621 4.7621 5.1093 5.1093 5.3987 5.3987 5.5967 5.5967 5.7440 5.7440 5.8496 5.8496 10.0237 10.0237 10.2476 10.2476 10.8310 10.8310 12.5943 12.5943 12.6656 12.6656 k = 0.1545 0.1545 0.3132 ( 6702 PWs) bands (ev): -44.3360 -44.3360 -44.3065 -44.3065 -20.8145 -20.8145 -20.5830 -20.5830 -16.4508 -16.4508 -16.3862 -16.3862 -16.2867 -16.2867 -16.2311 -16.2311 -16.2106 -16.2106 -16.1273 -16.1273 -8.7835 -8.7835 -8.5745 -8.5745 -5.6555 -5.6555 -5.1959 -5.1959 -4.8792 -4.8792 -4.6363 -4.6363 -4.2178 -4.2178 -4.1233 -4.1233 4.7558 4.7558 5.1110 5.1110 5.4160 5.4160 5.6199 5.6199 5.7436 5.7436 5.8562 5.8562 9.9551 9.9551 10.1875 10.1875 10.7757 10.7757 12.5479 12.5479 12.6699 12.6699 k = 0.1455 0.1455 0.3132 ( 6710 PWs) bands (ev): -44.3365 -44.3365 -44.3061 -44.3061 -20.8190 -20.8190 -20.5807 -20.5807 -16.4512 -16.4512 -16.3859 -16.3859 -16.2886 -16.2886 -16.2317 -16.2317 -16.2074 -16.2074 -16.1265 -16.1265 -8.7867 -8.7867 -8.5719 -8.5719 -5.6553 -5.6553 -5.1814 -5.1814 -4.8732 -4.8732 -4.6500 -4.6500 -4.2081 -4.2081 -4.1180 -4.1180 4.7484 4.7484 5.1150 5.1150 5.4328 5.4328 5.6444 5.6444 5.7417 5.7417 5.8627 5.8627 9.8887 9.8887 10.1289 10.1289 10.7235 10.7235 12.5024 12.5024 12.6768 12.6768 k = 0.1364 0.1364 0.3132 ( 6710 PWs) bands (ev): -44.3369 -44.3369 -44.3057 -44.3057 -20.8233 -20.8233 -20.5785 -20.5785 -16.4517 -16.4517 -16.3856 -16.3856 -16.2904 -16.2904 -16.2320 -16.2320 -16.2045 -16.2045 -16.1255 -16.1255 -8.7896 -8.7896 -8.5694 -8.5694 -5.6554 -5.6554 -5.1672 -5.1672 -4.8673 -4.8673 -4.6638 -4.6638 -4.1996 -4.1996 -4.1124 -4.1124 4.7401 4.7401 5.1210 5.1210 5.4492 5.4492 5.6698 5.6698 5.7384 5.7384 5.8692 5.8692 9.8248 9.8248 10.0721 10.0721 10.6747 10.6747 12.4583 12.4583 12.6859 12.6859 k = 0.1273 0.1273 0.3132 ( 6710 PWs) bands (ev): -44.3373 -44.3373 -44.3053 -44.3053 -20.8274 -20.8274 -20.5764 -20.5764 -16.4522 -16.4522 -16.3854 -16.3854 -16.2921 -16.2921 -16.2323 -16.2323 -16.2017 -16.2017 -16.1244 -16.1244 -8.7922 -8.7922 -8.5668 -8.5668 -5.6556 -5.6556 -5.1532 -5.1532 -4.8616 -4.8616 -4.6778 -4.6778 -4.1920 -4.1920 -4.1066 -4.1066 4.7312 4.7312 5.1291 5.1291 5.4650 5.4650 5.6957 5.6957 5.7337 5.7337 5.8756 5.8756 9.7636 9.7636 10.0174 10.0174 10.6291 10.6291 12.4158 12.4158 12.6970 12.6970 k = 0.1182 0.1182 0.3132 ( 6714 PWs) bands (ev): -44.3377 -44.3377 -44.3049 -44.3049 -20.8312 -20.8312 -20.5745 -20.5745 -16.4528 -16.4528 -16.3853 -16.3853 -16.2938 -16.2938 -16.2324 -16.2324 -16.1992 -16.1992 -16.1232 -16.1232 -8.7946 -8.7946 -8.5644 -8.5644 -5.6560 -5.6560 -5.1394 -5.1394 -4.8561 -4.8561 -4.6917 -4.6917 -4.1853 -4.1853 -4.1009 -4.1009 4.7220 4.7220 5.1393 5.1393 5.4802 5.4802 5.7215 5.7215 5.7274 5.7274 5.8820 5.8820 9.7055 9.7055 9.9650 9.9650 10.5869 10.5869 12.3753 12.3753 12.7100 12.7100 k = 0.1091 0.1091 0.3132 ( 6706 PWs) bands (ev): -44.3380 -44.3380 -44.3046 -44.3046 -20.8348 -20.8348 -20.5726 -20.5726 -16.4533 -16.4533 -16.3852 -16.3852 -16.2954 -16.2954 -16.2324 -16.2324 -16.1969 -16.1969 -16.1219 -16.1219 -8.7966 -8.7966 -8.5620 -8.5620 -5.6565 -5.6565 -5.1259 -5.1259 -4.8510 -4.8510 -4.7055 -4.7055 -4.1795 -4.1795 -4.0952 -4.0952 4.7126 4.7126 5.1512 5.1512 5.4946 5.4946 5.7196 5.7196 5.7471 5.7471 5.8882 5.8882 9.6507 9.6507 9.9154 9.9154 10.5481 10.5481 12.3368 12.3368 12.7248 12.7248 k = 0.1000 0.1000 0.3132 ( 6702 PWs) bands (ev): -44.3384 -44.3384 -44.3042 -44.3042 -20.8382 -20.8382 -20.5709 -20.5709 -16.4539 -16.4539 -16.3851 -16.3851 -16.2968 -16.2968 -16.2324 -16.2324 -16.1949 -16.1949 -16.1207 -16.1207 -8.7985 -8.7985 -8.5597 -8.5597 -5.6572 -5.6572 -5.1126 -5.1126 -4.8462 -4.8462 -4.7189 -4.7189 -4.1743 -4.1743 -4.0897 -4.0897 4.7032 4.7032 5.1649 5.1649 5.5082 5.5082 5.7103 5.7103 5.7718 5.7718 5.8942 5.8942 9.5994 9.5994 9.8687 9.8687 10.5126 10.5126 12.3007 12.3007 12.7412 12.7412 k = 0.0909 0.0909 0.3132 ( 6702 PWs) bands (ev): -44.3387 -44.3387 -44.3039 -44.3039 -20.8413 -20.8413 -20.5693 -20.5693 -16.4545 -16.4545 -16.3851 -16.3851 -16.2982 -16.2982 -16.2323 -16.2323 -16.1932 -16.1932 -16.1194 -16.1194 -8.8001 -8.8001 -8.5575 -8.5575 -5.6580 -5.6580 -5.0997 -5.0997 -4.8420 -4.8420 -4.7320 -4.7320 -4.1698 -4.1698 -4.0845 -4.0845 4.6941 4.6941 5.1801 5.1801 5.5209 5.5209 5.6997 5.6997 5.7954 5.7954 5.9001 5.9001 9.5518 9.5518 9.8252 9.8252 10.4805 10.4805 12.2670 12.2670 12.7591 12.7591 k = 0.0818 0.0818 0.3132 ( 6700 PWs) bands (ev): -44.3390 -44.3390 -44.3037 -44.3037 -20.8441 -20.8441 -20.5679 -20.5679 -16.4550 -16.4550 -16.3850 -16.3850 -16.2994 -16.2994 -16.2322 -16.2322 -16.1916 -16.1916 -16.1181 -16.1181 -8.8015 -8.8015 -8.5555 -8.5555 -5.6588 -5.6588 -5.0871 -5.0871 -4.8385 -4.8385 -4.7443 -4.7443 -4.1659 -4.1659 -4.0798 -4.0798 4.6854 4.6854 5.1966 5.1966 5.5326 5.5326 5.6879 5.6879 5.8175 5.8175 5.9057 5.9057 9.5082 9.5082 9.7852 9.7852 10.4517 10.4517 12.2360 12.2360 12.7782 12.7782 k = 0.0727 0.0727 0.3132 ( 6696 PWs) bands (ev): -44.3392 -44.3392 -44.3034 -44.3034 -20.8467 -20.8467 -20.5666 -20.5666 -16.4556 -16.4556 -16.3850 -16.3850 -16.3005 -16.3005 -16.2321 -16.2321 -16.1902 -16.1902 -16.1169 -16.1169 -8.8026 -8.8026 -8.5536 -8.5536 -5.6596 -5.6596 -5.0749 -5.0749 -4.8358 -4.8358 -4.7558 -4.7558 -4.1625 -4.1625 -4.0754 -4.0754 4.6773 4.6773 5.2140 5.2140 5.5432 5.5432 5.6751 5.6751 5.8378 5.8378 5.9112 5.9112 9.4686 9.4686 9.7488 9.7488 10.4261 10.4261 12.2078 12.2078 12.7984 12.7984 k = 0.0636 0.0636 0.3132 ( 6684 PWs) bands (ev): -44.3394 -44.3394 -44.3032 -44.3032 -20.8490 -20.8490 -20.5654 -20.5654 -16.4562 -16.4562 -16.3850 -16.3850 -16.3014 -16.3014 -16.2320 -16.2320 -16.1890 -16.1890 -16.1157 -16.1157 -8.8036 -8.8036 -8.5519 -8.5519 -5.6604 -5.6604 -5.0632 -5.0632 -4.8342 -4.8342 -4.7660 -4.7660 -4.1595 -4.1595 -4.0715 -4.0715 4.6698 4.6698 5.2320 5.2320 5.5527 5.5527 5.6615 5.6615 5.8560 5.8560 5.9165 5.9165 9.4333 9.4333 9.7162 9.7162 10.4038 10.4038 12.1825 12.1825 12.8193 12.8193 k = 0.0545 0.0545 0.3132 ( 6680 PWs) bands (ev): -44.3397 -44.3397 -44.3030 -44.3030 -20.8510 -20.8510 -20.5644 -20.5644 -16.4566 -16.4566 -16.3850 -16.3850 -16.3022 -16.3022 -16.2319 -16.2319 -16.1881 -16.1881 -16.1146 -16.1146 -8.8045 -8.8045 -8.5504 -8.5504 -5.6612 -5.6612 -5.0522 -5.0522 -4.8340 -4.8340 -4.7746 -4.7746 -4.1570 -4.1570 -4.0681 -4.0681 4.6631 4.6631 5.2502 5.2502 5.5608 5.5608 5.6475 5.6475 5.8716 5.8716 5.9217 5.9217 9.4024 9.4024 9.6876 9.6876 10.3846 10.3846 12.1603 12.1603 12.8405 12.8405 k = 0.0455 0.0455 0.3132 ( 6674 PWs) bands (ev): -44.3398 -44.3398 -44.3028 -44.3028 -20.8527 -20.8527 -20.5635 -20.5635 -16.4570 -16.4570 -16.3850 -16.3850 -16.3028 -16.3028 -16.2317 -16.2317 -16.1873 -16.1873 -16.1137 -16.1137 -8.8052 -8.8052 -8.5491 -8.5491 -5.6619 -5.6619 -5.0421 -5.0421 -4.8354 -4.8354 -4.7811 -4.7811 -4.1549 -4.1549 -4.0653 -4.0653 4.6573 4.6573 5.2680 5.2680 5.5675 5.5675 5.6338 5.6338 5.8846 5.8846 5.9268 5.9268 9.3761 9.3761 9.6631 9.6631 10.3684 10.3684 12.1414 12.1414 12.8616 12.8616 k = 0.0364 0.0364 0.3132 ( 6658 PWs) bands (ev): -44.3400 -44.3400 -44.3027 -44.3027 -20.8541 -20.8541 -20.5628 -20.5628 -16.4573 -16.4573 -16.3850 -16.3850 -16.3033 -16.3033 -16.2316 -16.2316 -16.1867 -16.1867 -16.1129 -16.1129 -8.8057 -8.8057 -8.5481 -8.5481 -5.6625 -5.6625 -5.0330 -5.0330 -4.8381 -4.8381 -4.7855 -4.7855 -4.1532 -4.1532 -4.0629 -4.0629 4.6524 4.6524 5.2846 5.2846 5.5725 5.5725 5.6212 5.6212 5.8946 5.8946 5.9319 5.9319 9.3544 9.3544 9.6430 9.6430 10.3554 10.3554 12.1257 12.1257 12.8818 12.8818 k = 0.0273 0.0273 0.3132 ( 6658 PWs) bands (ev): -44.3401 -44.3401 -44.3026 -44.3026 -20.8552 -20.8552 -20.5622 -20.5622 -16.4576 -16.4576 -16.3851 -16.3851 -16.3038 -16.3038 -16.2315 -16.2315 -16.1862 -16.1862 -16.1122 -16.1122 -8.8061 -8.8061 -8.5472 -8.5472 -5.6630 -5.6630 -5.0254 -5.0254 -4.8415 -4.8415 -4.7883 -4.7883 -4.1519 -4.1519 -4.0611 -4.0611 4.6486 4.6486 5.2993 5.2993 5.5754 5.5754 5.6107 5.6107 5.9018 5.9018 5.9365 5.9365 9.3374 9.3374 9.6272 9.6272 10.3452 10.3452 12.1134 12.1134 12.9002 12.9002 k = 0.0182 0.0182 0.3132 ( 6646 PWs) bands (ev): -44.3401 -44.3401 -44.3025 -44.3025 -20.8560 -20.8560 -20.5618 -20.5618 -16.4578 -16.4578 -16.3851 -16.3851 -16.3041 -16.3041 -16.2314 -16.2314 -16.1858 -16.1858 -16.1117 -16.1117 -8.8064 -8.8064 -8.5466 -8.5466 -5.6634 -5.6634 -5.0196 -5.0196 -4.8448 -4.8448 -4.7897 -4.7897 -4.1510 -4.1510 -4.0598 -4.0598 4.6458 4.6458 5.3110 5.3110 5.5758 5.5758 5.6038 5.6038 5.9066 5.9066 5.9403 5.9403 9.3252 9.3252 9.6158 9.6158 10.3381 10.3381 12.1046 12.1046 12.9154 12.9154 k = 0.0091 0.0091 0.3132 ( 6644 PWs) bands (ev): -44.3402 -44.3402 -44.3024 -44.3024 -20.8564 -20.8564 -20.5616 -20.5616 -16.4579 -16.4579 -16.3851 -16.3851 -16.3043 -16.3043 -16.2313 -16.2313 -16.1856 -16.1856 -16.1115 -16.1115 -8.8066 -8.8066 -8.5462 -8.5462 -5.6637 -5.6637 -5.0159 -5.0159 -4.8472 -4.8472 -4.7904 -4.7904 -4.1504 -4.1504 -4.0590 -4.0590 4.6442 4.6442 5.3186 5.3186 5.5745 5.5745 5.6006 5.6006 5.9093 5.9093 5.9428 5.9428 9.3179 9.3179 9.6090 9.6090 10.3338 10.3338 12.0993 12.0993 12.9256 12.9256 k = 0.0000 0.0000 0.3132 ( 6632 PWs) bands (ev): -44.3402 -44.3402 -44.3024 -44.3024 -20.8566 -20.8566 -20.5615 -20.5615 -16.4579 -16.4579 -16.3851 -16.3851 -16.3043 -16.3043 -16.2312 -16.2312 -16.1856 -16.1856 -16.1114 -16.1114 -8.8066 -8.8066 -8.5461 -8.5461 -5.6637 -5.6637 -5.0147 -5.0147 -4.8480 -4.8480 -4.7906 -4.7906 -4.1503 -4.1503 -4.0587 -4.0587 4.6436 4.6436 5.3212 5.3212 5.5738 5.5738 5.5997 5.5997 5.9102 5.9102 5.9436 5.9436 9.3154 9.3154 9.6067 9.6067 10.3323 10.3323 12.0975 12.0975 12.9293 12.9293 k = 0.0000 0.5000-0.0000 ( 6680 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6855 -20.6855 -20.6855 -20.6855 -16.4054 -16.4054 -16.4054 -16.4054 -16.2375 -16.2375 -16.2375 -16.2375 -16.2146 -16.2146 -16.2146 -16.2146 -8.6810 -8.6810 -8.6810 -8.6810 -5.5476 -5.5476 -5.5476 -5.5476 -4.6673 -4.6673 -4.6673 -4.6673 -4.2647 -4.2647 -4.2647 -4.2647 4.9286 4.9286 4.9286 4.9286 5.5837 5.5837 5.5837 5.5837 5.7200 5.7200 5.7200 5.7200 10.3761 10.3761 10.3761 10.3761 11.4581 11.4581 11.4582 11.4582 12.5562 12.5562 k = 0.0000 0.5000 0.0125 ( 6680 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6855 -20.6855 -20.6855 -20.6855 -16.4054 -16.4054 -16.4054 -16.4054 -16.2375 -16.2375 -16.2375 -16.2375 -16.2146 -16.2146 -16.2146 -16.2146 -8.6810 -8.6810 -8.6810 -8.6810 -5.5475 -5.5475 -5.5475 -5.5475 -4.6672 -4.6672 -4.6672 -4.6672 -4.2647 -4.2647 -4.2647 -4.2647 4.9278 4.9278 4.9278 4.9278 5.5837 5.5837 5.5837 5.5837 5.7195 5.7195 5.7195 5.7195 10.3769 10.3769 10.3769 10.3769 11.4607 11.4607 11.4608 11.4608 12.5569 12.5569 k = 0.0000 0.5000 0.0251 ( 6704 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6855 -20.6855 -20.6855 -20.6855 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2146 -16.2146 -16.2146 -16.2146 -8.6813 -8.6813 -8.6813 -8.6813 -5.5470 -5.5470 -5.5470 -5.5470 -4.6670 -4.6670 -4.6670 -4.6670 -4.2646 -4.2646 -4.2646 -4.2646 4.9252 4.9252 4.9252 4.9252 5.5835 5.5835 5.5835 5.5835 5.7180 5.7180 5.7180 5.7180 10.3791 10.3791 10.3792 10.3792 11.4685 11.4685 11.4686 11.4686 12.5592 12.5592 k = 0.0000 0.5000 0.0376 ( 6698 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6855 -20.6855 -20.6855 -20.6855 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2146 -16.2146 -16.2146 -16.2146 -8.6817 -8.6817 -8.6817 -8.6817 -5.5463 -5.5463 -5.5463 -5.5463 -4.6668 -4.6668 -4.6668 -4.6668 -4.2645 -4.2645 -4.2645 -4.2645 4.9210 4.9210 4.9210 4.9210 5.5832 5.5832 5.5832 5.5832 5.7156 5.7156 5.7156 5.7156 10.3829 10.3829 10.3829 10.3829 11.4814 11.4814 11.4814 11.4814 12.5629 12.5629 k = 0.0000 0.5000 0.0501 ( 6706 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6855 -20.6855 -20.6855 -20.6855 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2146 -16.2146 -16.2146 -16.2146 -8.6823 -8.6823 -8.6823 -8.6823 -5.5452 -5.5452 -5.5452 -5.5452 -4.6664 -4.6664 -4.6664 -4.6664 -4.2644 -4.2644 -4.2644 -4.2644 4.9152 4.9152 4.9152 4.9152 5.5827 5.5827 5.5827 5.5827 5.7122 5.7122 5.7122 5.7122 10.3881 10.3881 10.3881 10.3881 11.4992 11.4992 11.4992 11.4992 12.5680 12.5680 k = 0.0000 0.5000 0.0626 ( 6706 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6855 -20.6855 -20.6855 -20.6855 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2146 -16.2146 -16.2146 -16.2146 -8.6830 -8.6830 -8.6830 -8.6830 -5.5440 -5.5440 -5.5440 -5.5440 -4.6659 -4.6659 -4.6659 -4.6659 -4.2642 -4.2642 -4.2642 -4.2642 4.9080 4.9080 4.9080 4.9080 5.5822 5.5822 5.5822 5.5822 5.7081 5.7081 5.7081 5.7081 10.3945 10.3945 10.3946 10.3946 11.5217 11.5217 11.5217 11.5217 12.5744 12.5744 k = 0.0000 0.5000 0.0752 ( 6710 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6855 -20.6855 -20.6855 -20.6855 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2147 -16.2147 -16.2147 -16.2147 -8.6838 -8.6838 -8.6838 -8.6838 -5.5424 -5.5424 -5.5424 -5.5424 -4.6653 -4.6653 -4.6653 -4.6653 -4.2640 -4.2640 -4.2640 -4.2640 4.8993 4.8993 4.8993 4.8993 5.5816 5.5816 5.5816 5.5816 5.7032 5.7032 5.7032 5.7032 10.4022 10.4022 10.4022 10.4022 11.5485 11.5485 11.5486 11.5486 12.5821 12.5821 k = 0.0000 0.5000 0.0877 ( 6710 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6855 -20.6855 -20.6855 -20.6855 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2147 -16.2147 -16.2147 -16.2147 -8.6848 -8.6848 -8.6848 -8.6848 -5.5407 -5.5407 -5.5407 -5.5407 -4.6647 -4.6647 -4.6647 -4.6647 -4.2638 -4.2638 -4.2638 -4.2638 4.8894 4.8894 4.8894 4.8894 5.5809 5.5809 5.5809 5.5809 5.6978 5.6978 5.6978 5.6978 10.4109 10.4109 10.4109 10.4109 11.5795 11.5795 11.5795 11.5795 12.5910 12.5910 k = 0.0000 0.5000 0.1002 ( 6710 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6855 -20.6855 -20.6855 -20.6855 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2147 -16.2147 -16.2147 -16.2147 -8.6858 -8.6858 -8.6858 -8.6858 -5.5388 -5.5388 -5.5388 -5.5388 -4.6639 -4.6639 -4.6639 -4.6639 -4.2635 -4.2635 -4.2635 -4.2635 4.8783 4.8783 4.8783 4.8783 5.5801 5.5801 5.5801 5.5801 5.6918 5.6918 5.6918 5.6918 10.4205 10.4205 10.4205 10.4205 11.6140 11.6140 11.6140 11.6140 12.6008 12.6008 k = 0.0000 0.5000 0.1128 ( 6704 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6855 -20.6855 -20.6855 -20.6855 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2147 -16.2147 -16.2147 -16.2147 -8.6870 -8.6870 -8.6870 -8.6870 -5.5367 -5.5367 -5.5367 -5.5367 -4.6631 -4.6631 -4.6631 -4.6631 -4.2632 -4.2632 -4.2632 -4.2632 4.8664 4.8664 4.8664 4.8664 5.5793 5.5793 5.5793 5.5793 5.6855 5.6855 5.6855 5.6855 10.4308 10.4308 10.4308 10.4308 11.6517 11.6517 11.6517 11.6517 12.6116 12.6116 k = 0.0000 0.5000 0.1253 ( 6706 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6855 -20.6855 -20.6855 -20.6855 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2147 -16.2147 -16.2147 -16.2147 -8.6882 -8.6882 -8.6882 -8.6882 -5.5345 -5.5345 -5.5345 -5.5345 -4.6623 -4.6623 -4.6623 -4.6623 -4.2629 -4.2629 -4.2629 -4.2629 4.8537 4.8537 4.8537 4.8537 5.5783 5.5783 5.5783 5.5783 5.6790 5.6790 5.6790 5.6790 10.4416 10.4416 10.4416 10.4416 11.6919 11.6919 11.6920 11.6920 12.6232 12.6232 k = 0.0000 0.5000 0.1378 ( 6710 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6855 -20.6855 -20.6855 -20.6855 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2147 -16.2147 -16.2147 -16.2147 -8.6895 -8.6895 -8.6895 -8.6895 -5.5322 -5.5322 -5.5322 -5.5322 -4.6614 -4.6614 -4.6614 -4.6614 -4.2626 -4.2626 -4.2626 -4.2626 4.8404 4.8404 4.8404 4.8404 5.5774 5.5774 5.5774 5.5774 5.6723 5.6723 5.6723 5.6723 10.4528 10.4528 10.4528 10.4528 11.7343 11.7343 11.7343 11.7343 12.6353 12.6353 k = 0.0000 0.5000 0.1503 ( 6714 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6855 -20.6855 -20.6855 -20.6855 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2147 -16.2147 -16.2147 -16.2147 -8.6908 -8.6908 -8.6908 -8.6908 -5.5298 -5.5298 -5.5298 -5.5298 -4.6605 -4.6605 -4.6605 -4.6605 -4.2623 -4.2623 -4.2623 -4.2623 4.8269 4.8269 4.8269 4.8269 5.5764 5.5764 5.5764 5.5764 5.6656 5.6656 5.6656 5.6656 10.4642 10.4642 10.4642 10.4642 11.7780 11.7780 11.7781 11.7781 12.6478 12.6478 k = 0.0000 0.5000 0.1629 ( 6718 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6855 -20.6855 -20.6855 -20.6855 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2147 -16.2147 -16.2147 -16.2147 -8.6921 -8.6921 -8.6921 -8.6921 -5.5274 -5.5274 -5.5274 -5.5274 -4.6596 -4.6596 -4.6596 -4.6596 -4.2620 -4.2620 -4.2620 -4.2620 4.8132 4.8132 4.8132 4.8132 5.5754 5.5754 5.5754 5.5754 5.6590 5.6590 5.6590 5.6590 10.4756 10.4756 10.4756 10.4756 11.8225 11.8225 11.8226 11.8226 12.6605 12.6605 k = 0.0000 0.5000 0.1754 ( 6726 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6855 -20.6855 -20.6855 -20.6855 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2147 -16.2147 -16.2147 -16.2147 -8.6934 -8.6934 -8.6934 -8.6934 -5.5251 -5.5251 -5.5251 -5.5251 -4.6587 -4.6587 -4.6587 -4.6587 -4.2616 -4.2616 -4.2616 -4.2616 4.7996 4.7996 4.7996 4.7996 5.5744 5.5744 5.5744 5.5744 5.6526 5.6526 5.6526 5.6526 10.4869 10.4869 10.4869 10.4869 11.8671 11.8671 11.8672 11.8672 12.6733 12.6733 k = 0.0000 0.5000 0.1879 ( 6732 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6855 -20.6855 -20.6855 -20.6855 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2148 -16.2148 -16.2148 -16.2148 -8.6947 -8.6947 -8.6947 -8.6947 -5.5228 -5.5228 -5.5228 -5.5228 -4.6578 -4.6578 -4.6578 -4.6578 -4.2613 -4.2613 -4.2613 -4.2613 4.7864 4.7864 4.7864 4.7864 5.5735 5.5735 5.5735 5.5735 5.6465 5.6465 5.6465 5.6465 10.4978 10.4978 10.4978 10.4978 11.9111 11.9111 11.9111 11.9111 12.6858 12.6858 k = 0.0000 0.5000 0.2005 ( 6720 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6855 -20.6855 -20.6855 -20.6855 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2147 -16.2147 -16.2147 -16.2147 -8.6959 -8.6959 -8.6959 -8.6959 -5.5206 -5.5206 -5.5206 -5.5206 -4.6569 -4.6569 -4.6569 -4.6569 -4.2610 -4.2610 -4.2610 -4.2610 4.7737 4.7737 4.7737 4.7737 5.5726 5.5726 5.5726 5.5726 5.6407 5.6407 5.6407 5.6407 10.5082 10.5082 10.5082 10.5082 11.9537 11.9537 11.9537 11.9537 12.6980 12.6980 k = 0.0000 0.5000 0.2130 ( 6716 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6855 -20.6855 -20.6855 -20.6855 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2147 -16.2147 -16.2147 -16.2147 -8.6970 -8.6970 -8.6970 -8.6970 -5.5186 -5.5186 -5.5186 -5.5186 -4.6561 -4.6561 -4.6561 -4.6561 -4.2607 -4.2607 -4.2607 -4.2607 4.7617 4.7617 4.7617 4.7617 5.5717 5.5717 5.5717 5.5717 5.6354 5.6354 5.6354 5.6354 10.5180 10.5180 10.5180 10.5180 11.9943 11.9943 11.9943 11.9943 12.7095 12.7095 k = 0.0000 0.5000 0.2255 ( 6720 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6854 -20.6854 -20.6854 -20.6854 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2147 -16.2147 -16.2147 -16.2147 -8.6981 -8.6981 -8.6981 -8.6981 -5.5167 -5.5167 -5.5167 -5.5167 -4.6553 -4.6553 -4.6553 -4.6553 -4.2604 -4.2604 -4.2604 -4.2604 4.7506 4.7506 4.7507 4.7507 5.5709 5.5709 5.5709 5.5709 5.6306 5.6306 5.6306 5.6306 10.5270 10.5270 10.5270 10.5270 12.0320 12.0320 12.0321 12.0321 12.7203 12.7203 k = 0.0000 0.5000 0.2380 ( 6730 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6854 -20.6854 -20.6854 -20.6854 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2147 -16.2147 -16.2147 -16.2147 -8.6990 -8.6990 -8.6990 -8.6990 -5.5150 -5.5150 -5.5150 -5.5150 -4.6546 -4.6546 -4.6546 -4.6546 -4.2601 -4.2601 -4.2601 -4.2601 4.7407 4.7407 4.7407 4.7407 5.5701 5.5701 5.5701 5.5701 5.6263 5.6263 5.6263 5.6263 10.5350 10.5350 10.5350 10.5350 12.0664 12.0664 12.0664 12.0664 12.7300 12.7300 k = 0.0000 0.5000 0.2506 ( 6722 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6854 -20.6854 -20.6854 -20.6854 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2147 -16.2147 -16.2147 -16.2147 -8.6999 -8.6999 -8.6999 -8.6999 -5.5135 -5.5135 -5.5135 -5.5135 -4.6540 -4.6540 -4.6540 -4.6540 -4.2599 -4.2599 -4.2599 -4.2599 4.7320 4.7320 4.7320 4.7320 5.5695 5.5695 5.5695 5.5695 5.6226 5.6226 5.6226 5.6226 10.5421 10.5421 10.5421 10.5421 12.0966 12.0966 12.0966 12.0966 12.7386 12.7386 k = 0.0000 0.5000 0.2631 ( 6732 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6854 -20.6854 -20.6854 -20.6854 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2148 -16.2148 -16.2148 -16.2148 -8.7005 -8.7005 -8.7005 -8.7005 -5.5123 -5.5123 -5.5123 -5.5123 -4.6535 -4.6535 -4.6535 -4.6535 -4.2597 -4.2597 -4.2597 -4.2597 4.7247 4.7247 4.7247 4.7247 5.5689 5.5689 5.5689 5.5689 5.6196 5.6196 5.6196 5.6196 10.5479 10.5479 10.5479 10.5479 12.1222 12.1222 12.1222 12.1222 12.7459 12.7459 k = 0.0000 0.5000 0.2756 ( 6736 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6854 -20.6854 -20.6854 -20.6854 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2148 -16.2148 -16.2148 -16.2148 -8.7011 -8.7011 -8.7011 -8.7011 -5.5113 -5.5113 -5.5113 -5.5113 -4.6531 -4.6531 -4.6531 -4.6531 -4.2596 -4.2596 -4.2596 -4.2596 4.7189 4.7189 4.7189 4.7189 5.5684 5.5684 5.5684 5.5684 5.6172 5.6172 5.6172 5.6172 10.5526 10.5526 10.5526 10.5526 12.1427 12.1427 12.1427 12.1427 12.7517 12.7517 k = 0.0000 0.5000 0.2882 ( 6726 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6854 -20.6854 -20.6854 -20.6854 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2148 -16.2148 -16.2148 -16.2148 -8.7015 -8.7015 -8.7015 -8.7015 -5.5106 -5.5106 -5.5106 -5.5106 -4.6528 -4.6528 -4.6528 -4.6528 -4.2595 -4.2595 -4.2595 -4.2595 4.7147 4.7147 4.7147 4.7147 5.5681 5.5681 5.5681 5.5681 5.6155 5.6155 5.6155 5.6155 10.5560 10.5560 10.5560 10.5560 12.1576 12.1576 12.1576 12.1576 12.7559 12.7559 k = 0.0000 0.5000 0.3007 ( 6722 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6854 -20.6854 -20.6854 -20.6854 -16.4054 -16.4054 -16.4054 -16.4054 -16.2376 -16.2376 -16.2376 -16.2376 -16.2148 -16.2148 -16.2148 -16.2148 -8.7017 -8.7017 -8.7017 -8.7017 -5.5101 -5.5101 -5.5101 -5.5101 -4.6527 -4.6527 -4.6527 -4.6527 -4.2594 -4.2594 -4.2594 -4.2594 4.7121 4.7121 4.7122 4.7122 5.5679 5.5679 5.5679 5.5679 5.6144 5.6144 5.6144 5.6144 10.5581 10.5581 10.5581 10.5581 12.1667 12.1667 12.1667 12.1667 12.7585 12.7585 k = 0.0000 0.5000 0.3132 ( 6716 PWs) bands (ev): -44.3211 -44.3211 -44.3211 -44.3211 -20.6854 -20.6854 -20.6854 -20.6854 -16.4054 -16.4054 -16.4054 -16.4054 -16.2375 -16.2375 -16.2375 -16.2375 -16.2148 -16.2148 -16.2147 -16.2147 -8.7018 -8.7018 -8.7018 -8.7018 -5.5100 -5.5100 -5.5100 -5.5100 -4.6526 -4.6526 -4.6526 -4.6526 -4.2594 -4.2594 -4.2594 -4.2594 4.7113 4.7113 4.7113 4.7113 5.5678 5.5678 5.5678 5.5678 5.6141 5.6141 5.6141 5.6141 10.5587 10.5587 10.5587 10.5587 12.1697 12.1697 12.1697 12.1697 12.7594 12.7594 k = 0.5000 0.5000-0.0000 ( 6740 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6612 -20.6612 -20.6612 -20.6612 -16.4642 -16.4642 -16.4642 -16.4642 -16.2830 -16.2830 -16.2830 -16.2830 -16.1237 -16.1237 -16.1237 -16.1237 -8.5642 -8.5642 -8.5642 -8.5642 -5.7778 -5.7778 -5.7778 -5.7778 -4.8364 -4.8364 -4.8364 -4.8364 -4.3358 -4.3358 -4.3358 -4.3358 5.0879 5.0879 5.0879 5.0879 5.5712 5.5712 5.5712 5.5712 5.6434 5.6434 5.6434 5.6434 11.1430 11.1430 11.1430 11.1430 11.1866 11.1866 11.1866 11.1866 14.0769 14.0769 k = 0.5000 0.5000 0.0125 ( 6740 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6612 -20.6612 -20.6612 -20.6612 -16.4642 -16.4642 -16.4642 -16.4642 -16.2830 -16.2830 -16.2830 -16.2830 -16.1237 -16.1237 -16.1237 -16.1237 -8.5643 -8.5643 -8.5643 -8.5643 -5.7778 -5.7778 -5.7778 -5.7778 -4.8363 -4.8363 -4.8363 -4.8363 -4.3359 -4.3359 -4.3359 -4.3359 5.0873 5.0873 5.0873 5.0873 5.5718 5.5718 5.5718 5.5718 5.6422 5.6422 5.6422 5.6422 11.1438 11.1438 11.1438 11.1438 11.1903 11.1903 11.1903 11.1903 14.0750 14.0750 k = 0.5000 0.5000 0.0251 ( 6740 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6612 -20.6612 -20.6612 -20.6612 -16.4642 -16.4642 -16.4642 -16.4642 -16.2830 -16.2830 -16.2830 -16.2830 -16.1237 -16.1237 -16.1237 -16.1237 -8.5644 -8.5644 -8.5644 -8.5644 -5.7775 -5.7775 -5.7775 -5.7775 -4.8359 -4.8359 -4.8359 -4.8359 -4.3360 -4.3360 -4.3360 -4.3360 5.0853 5.0853 5.0853 5.0853 5.5734 5.5734 5.5734 5.5734 5.6387 5.6387 5.6387 5.6387 11.1465 11.1465 11.1465 11.1465 11.2015 11.2015 11.2015 11.2015 14.0694 14.0694 k = 0.5000 0.5000 0.0376 ( 6756 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6612 -20.6612 -20.6612 -20.6612 -16.4642 -16.4642 -16.4642 -16.4642 -16.2831 -16.2831 -16.2831 -16.2831 -16.1237 -16.1237 -16.1237 -16.1237 -8.5647 -8.5647 -8.5647 -8.5647 -5.7772 -5.7772 -5.7772 -5.7772 -4.8353 -4.8353 -4.8353 -4.8353 -4.3362 -4.3362 -4.3362 -4.3362 5.0822 5.0822 5.0822 5.0822 5.5760 5.5760 5.5760 5.5760 5.6330 5.6330 5.6330 5.6330 11.1509 11.1509 11.1509 11.1509 11.2199 11.2199 11.2199 11.2199 14.0599 14.0599 k = 0.5000 0.5000 0.0501 ( 6768 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6612 -20.6612 -20.6612 -20.6612 -16.4643 -16.4643 -16.4643 -16.4643 -16.2831 -16.2831 -16.2831 -16.2831 -16.1238 -16.1238 -16.1238 -16.1238 -8.5650 -8.5650 -8.5650 -8.5650 -5.7767 -5.7767 -5.7767 -5.7767 -4.8345 -4.8345 -4.8345 -4.8345 -4.3364 -4.3364 -4.3364 -4.3364 5.0779 5.0779 5.0779 5.0779 5.5788 5.5788 5.5788 5.5788 5.6259 5.6259 5.6259 5.6259 11.1570 11.1570 11.1570 11.1570 11.2454 11.2454 11.2454 11.2454 14.0466 14.0466 k = 0.5000 0.5000 0.0626 ( 6760 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6612 -20.6612 -20.6612 -20.6612 -16.4643 -16.4643 -16.4643 -16.4643 -16.2831 -16.2831 -16.2831 -16.2831 -16.1238 -16.1238 -16.1238 -16.1238 -8.5654 -8.5654 -8.5654 -8.5654 -5.7761 -5.7761 -5.7761 -5.7761 -4.8335 -4.8335 -4.8335 -4.8335 -4.3367 -4.3367 -4.3367 -4.3367 5.0727 5.0727 5.0727 5.0727 5.5805 5.5805 5.5806 5.5806 5.6187 5.6187 5.6187 5.6187 11.1647 11.1647 11.1647 11.1647 11.2778 11.2778 11.2778 11.2778 14.0295 14.0295 k = 0.5000 0.5000 0.0752 ( 6748 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6611 -20.6611 -20.6611 -20.6611 -16.4643 -16.4643 -16.4643 -16.4643 -16.2831 -16.2831 -16.2831 -16.2831 -16.1237 -16.1237 -16.1237 -16.1237 -8.5659 -8.5659 -8.5659 -8.5659 -5.7753 -5.7753 -5.7753 -5.7753 -4.8323 -4.8323 -4.8323 -4.8323 -4.3371 -4.3371 -4.3371 -4.3371 5.0666 5.0666 5.0666 5.0666 5.5783 5.5783 5.5783 5.5783 5.6144 5.6144 5.6144 5.6144 11.1741 11.1741 11.1741 11.1741 11.3168 11.3168 11.3168 11.3168 14.0087 14.0087 k = 0.5000 0.5000 0.0877 ( 6724 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6611 -20.6611 -20.6611 -20.6611 -16.4643 -16.4643 -16.4643 -16.4643 -16.2831 -16.2831 -16.2831 -16.2831 -16.1236 -16.1236 -16.1236 -16.1236 -8.5664 -8.5664 -8.5664 -8.5664 -5.7745 -5.7745 -5.7745 -5.7745 -4.8309 -4.8309 -4.8309 -4.8309 -4.3375 -4.3375 -4.3375 -4.3375 5.0599 5.0599 5.0599 5.0599 5.5697 5.5697 5.5697 5.5697 5.6155 5.6155 5.6155 5.6155 11.1850 11.1850 11.1850 11.1850 11.3620 11.3620 11.3620 11.3620 13.9841 13.9841 k = 0.5000 0.5000 0.1002 ( 6708 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6611 -20.6611 -20.6611 -20.6611 -16.4643 -16.4643 -16.4643 -16.4643 -16.2830 -16.2830 -16.2830 -16.2830 -16.1236 -16.1236 -16.1236 -16.1236 -8.5670 -8.5670 -8.5670 -8.5670 -5.7736 -5.7736 -5.7736 -5.7736 -4.8294 -4.8294 -4.8294 -4.8294 -4.3380 -4.3380 -4.3380 -4.3380 5.0526 5.0526 5.0526 5.0526 5.5562 5.5562 5.5562 5.5562 5.6206 5.6206 5.6206 5.6206 11.1972 11.1972 11.1972 11.1972 11.4131 11.4131 11.4131 11.4131 13.9557 13.9557 k = 0.5000 0.5000 0.1128 ( 6708 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6611 -20.6611 -20.6611 -20.6611 -16.4643 -16.4643 -16.4643 -16.4643 -16.2830 -16.2830 -16.2830 -16.2830 -16.1236 -16.1236 -16.1236 -16.1236 -8.5677 -8.5677 -8.5677 -8.5677 -5.7726 -5.7726 -5.7726 -5.7726 -4.8277 -4.8277 -4.8277 -4.8277 -4.3384 -4.3384 -4.3384 -4.3384 5.0450 5.0450 5.0450 5.0450 5.5399 5.5399 5.5399 5.5399 5.6276 5.6276 5.6276 5.6276 11.2106 11.2106 11.2106 11.2106 11.4697 11.4697 11.4697 11.4697 13.9236 13.9236 k = 0.5000 0.5000 0.1253 ( 6732 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6611 -20.6611 -20.6611 -20.6611 -16.4644 -16.4644 -16.4644 -16.4644 -16.2831 -16.2831 -16.2831 -16.2831 -16.1237 -16.1237 -16.1237 -16.1237 -8.5684 -8.5684 -8.5684 -8.5684 -5.7715 -5.7715 -5.7715 -5.7715 -4.8260 -4.8260 -4.8260 -4.8260 -4.3390 -4.3390 -4.3390 -4.3390 5.0371 5.0371 5.0371 5.0371 5.5221 5.5221 5.5221 5.5221 5.6355 5.6355 5.6355 5.6355 11.2251 11.2251 11.2251 11.2251 11.5313 11.5313 11.5313 11.5313 13.8877 13.8877 k = 0.5000 0.5000 0.1378 ( 6756 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6611 -20.6611 -20.6611 -20.6611 -16.4645 -16.4645 -16.4645 -16.4645 -16.2832 -16.2832 -16.2832 -16.2832 -16.1237 -16.1237 -16.1237 -16.1237 -8.5691 -8.5691 -8.5691 -8.5691 -5.7704 -5.7704 -5.7704 -5.7704 -4.8242 -4.8242 -4.8242 -4.8242 -4.3395 -4.3395 -4.3395 -4.3395 5.0291 5.0291 5.0291 5.0291 5.5032 5.5032 5.5032 5.5032 5.6439 5.6439 5.6439 5.6439 11.2405 11.2405 11.2405 11.2405 11.5974 11.5974 11.5974 11.5974 13.8482 13.8482 k = 0.5000 0.5000 0.1503 ( 6756 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6610 -20.6610 -20.6610 -20.6610 -16.4646 -16.4646 -16.4646 -16.4646 -16.2833 -16.2833 -16.2833 -16.2833 -16.1237 -16.1237 -16.1237 -16.1237 -8.5698 -8.5698 -8.5698 -8.5698 -5.7692 -5.7692 -5.7692 -5.7692 -4.8223 -4.8223 -4.8223 -4.8223 -4.3400 -4.3400 -4.3400 -4.3400 5.0212 5.0212 5.0212 5.0212 5.4840 5.4840 5.4840 5.4840 5.6525 5.6525 5.6525 5.6525 11.2565 11.2565 11.2565 11.2565 11.6675 11.6675 11.6675 11.6675 13.8051 13.8051 k = 0.5000 0.5000 0.1629 ( 6756 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6610 -20.6610 -20.6610 -20.6610 -16.4646 -16.4646 -16.4646 -16.4646 -16.2833 -16.2833 -16.2833 -16.2833 -16.1237 -16.1237 -16.1237 -16.1237 -8.5706 -8.5706 -8.5706 -8.5706 -5.7681 -5.7681 -5.7681 -5.7681 -4.8205 -4.8205 -4.8205 -4.8205 -4.3405 -4.3405 -4.3405 -4.3405 5.0135 5.0135 5.0135 5.0135 5.4647 5.4647 5.4647 5.4647 5.6610 5.6610 5.6610 5.6610 11.2730 11.2730 11.2730 11.2730 11.7411 11.7411 11.7411 11.7411 13.7583 13.7583 k = 0.5000 0.5000 0.1754 ( 6748 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6610 -20.6610 -20.6610 -20.6610 -16.4646 -16.4646 -16.4646 -16.4646 -16.2833 -16.2833 -16.2833 -16.2833 -16.1237 -16.1237 -16.1237 -16.1237 -8.5713 -8.5713 -8.5713 -8.5713 -5.7669 -5.7669 -5.7669 -5.7669 -4.8187 -4.8187 -4.8187 -4.8187 -4.3410 -4.3410 -4.3410 -4.3410 5.0060 5.0060 5.0060 5.0060 5.4457 5.4457 5.4457 5.4457 5.6693 5.6693 5.6693 5.6693 11.2897 11.2897 11.2897 11.2897 11.8177 11.8177 11.8177 11.8177 13.7081 13.7081 k = 0.5000 0.5000 0.1879 ( 6748 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6610 -20.6610 -20.6610 -20.6610 -16.4647 -16.4647 -16.4647 -16.4647 -16.2833 -16.2833 -16.2833 -16.2833 -16.1237 -16.1237 -16.1237 -16.1237 -8.5720 -8.5720 -8.5720 -8.5720 -5.7658 -5.7658 -5.7658 -5.7658 -4.8169 -4.8169 -4.8169 -4.8169 -4.3415 -4.3415 -4.3415 -4.3415 4.9989 4.9989 4.9989 4.9989 5.4272 5.4272 5.4272 5.4272 5.6773 5.6773 5.6773 5.6773 11.3064 11.3064 11.3064 11.3064 11.8965 11.8965 11.8965 11.8965 13.6546 13.6546 k = 0.5000 0.5000 0.2005 ( 6748 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6610 -20.6610 -20.6610 -20.6610 -16.4647 -16.4647 -16.4647 -16.4647 -16.2833 -16.2833 -16.2833 -16.2833 -16.1237 -16.1237 -16.1237 -16.1237 -8.5727 -8.5727 -8.5727 -8.5727 -5.7647 -5.7647 -5.7647 -5.7647 -4.8152 -4.8152 -4.8152 -4.8152 -4.3420 -4.3420 -4.3420 -4.3420 4.9923 4.9923 4.9923 4.9923 5.4097 5.4097 5.4097 5.4097 5.6848 5.6848 5.6848 5.6848 11.3227 11.3227 11.3227 11.3227 11.9770 11.9770 11.9770 11.9770 13.5981 13.5981 k = 0.5000 0.5000 0.2130 ( 6732 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6610 -20.6610 -20.6610 -20.6610 -16.4647 -16.4647 -16.4647 -16.4647 -16.2832 -16.2832 -16.2832 -16.2832 -16.1237 -16.1237 -16.1237 -16.1237 -8.5733 -8.5733 -8.5733 -8.5733 -5.7637 -5.7637 -5.7637 -5.7637 -4.8136 -4.8136 -4.8136 -4.8136 -4.3424 -4.3424 -4.3424 -4.3424 4.9862 4.9862 4.9862 4.9862 5.3933 5.3933 5.3933 5.3933 5.6918 5.6918 5.6918 5.6918 11.3383 11.3383 11.3383 11.3383 12.0584 12.0584 12.0584 12.0584 13.5390 13.5390 k = 0.5000 0.5000 0.2255 ( 6716 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6609 -20.6609 -20.6609 -20.6609 -16.4647 -16.4647 -16.4647 -16.4647 -16.2832 -16.2832 -16.2832 -16.2832 -16.1236 -16.1236 -16.1236 -16.1236 -8.5739 -8.5739 -8.5739 -8.5739 -5.7627 -5.7627 -5.7627 -5.7627 -4.8121 -4.8121 -4.8121 -4.8121 -4.3428 -4.3428 -4.3428 -4.3428 4.9806 4.9806 4.9806 4.9806 5.3782 5.3782 5.3782 5.3782 5.6981 5.6981 5.6981 5.6981 11.3531 11.3531 11.3531 11.3531 12.1399 12.1399 12.1399 12.1399 13.4778 13.4778 k = 0.5000 0.5000 0.2380 ( 6720 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6609 -20.6609 -20.6609 -20.6609 -16.4648 -16.4648 -16.4648 -16.4648 -16.2833 -16.2833 -16.2833 -16.2833 -16.1236 -16.1236 -16.1236 -16.1236 -8.5745 -8.5745 -8.5745 -8.5745 -5.7619 -5.7619 -5.7619 -5.7619 -4.8108 -4.8108 -4.8108 -4.8108 -4.3432 -4.3432 -4.3432 -4.3432 4.9757 4.9757 4.9757 4.9757 5.3647 5.3647 5.3647 5.3647 5.7037 5.7037 5.7037 5.7037 11.3666 11.3666 11.3666 11.3666 12.2204 12.2204 12.2204 12.2204 13.4155 13.4155 k = 0.5000 0.5000 0.2506 ( 6720 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6609 -20.6609 -20.6609 -20.6609 -16.4648 -16.4648 -16.4648 -16.4648 -16.2833 -16.2833 -16.2833 -16.2833 -16.1236 -16.1236 -16.1236 -16.1236 -8.5749 -8.5749 -8.5749 -8.5749 -5.7611 -5.7611 -5.7611 -5.7611 -4.8097 -4.8097 -4.8097 -4.8097 -4.3435 -4.3435 -4.3435 -4.3435 4.9715 4.9715 4.9715 4.9715 5.3530 5.3530 5.3530 5.3530 5.7086 5.7086 5.7086 5.7086 11.3786 11.3786 11.3786 11.3786 12.2985 12.2985 12.2985 12.2985 13.3531 13.3531 k = 0.5000 0.5000 0.2631 ( 6704 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6609 -20.6609 -20.6609 -20.6609 -16.4648 -16.4648 -16.4648 -16.4648 -16.2832 -16.2832 -16.2832 -16.2832 -16.1236 -16.1236 -16.1236 -16.1236 -8.5753 -8.5753 -8.5753 -8.5753 -5.7605 -5.7605 -5.7605 -5.7605 -4.8087 -4.8087 -4.8087 -4.8087 -4.3437 -4.3437 -4.3437 -4.3437 4.9680 4.9680 4.9680 4.9680 5.3432 5.3432 5.3432 5.3432 5.7126 5.7126 5.7126 5.7126 11.3889 11.3889 11.3889 11.3889 12.3723 12.3723 12.3723 12.3723 13.2924 13.2924 k = 0.5000 0.5000 0.2756 ( 6704 PWs) bands (ev): -44.3209 -44.3209 -44.3209 -44.3209 -20.6609 -20.6609 -20.6609 -20.6609 -16.4648 -16.4648 -16.4648 -16.4648 -16.2832 -16.2832 -16.2832 -16.2832 -16.1236 -16.1236 -16.1236 -16.1236 -8.5757 -8.5757 -8.5757 -8.5757 -5.7600 -5.7600 -5.7600 -5.7600 -4.8080 -4.8080 -4.8080 -4.8080 -4.3439 -4.3439 -4.3439 -4.3439 4.9652 4.9652 4.9652 4.9652 5.3354 5.3354 5.3354 5.3354 5.7158 5.7158 5.7158 5.7158 11.3971 11.3971 11.3971 11.3971 12.4388 12.4388 12.4388 12.4388 13.2361 13.2361 k = 0.5000 0.5000 0.2882 ( 6680 PWs) bands (ev): -44.3208 -44.3208 -44.3208 -44.3208 -20.6609 -20.6609 -20.6609 -20.6609 -16.4647 -16.4647 -16.4647 -16.4647 -16.2832 -16.2832 -16.2832 -16.2832 -16.1236 -16.1236 -16.1236 -16.1236 -8.5759 -8.5759 -8.5759 -8.5759 -5.7596 -5.7596 -5.7596 -5.7596 -4.8074 -4.8074 -4.8074 -4.8074 -4.3440 -4.3440 -4.3440 -4.3440 4.9632 4.9632 4.9633 4.9633 5.3298 5.3298 5.3298 5.3298 5.7181 5.7181 5.7181 5.7181 11.4032 11.4032 11.4032 11.4032 12.4938 12.4938 12.4938 12.4938 13.1886 13.1886 k = 0.5000 0.5000 0.3007 ( 6672 PWs) bands (ev): -44.3208 -44.3208 -44.3208 -44.3208 -20.6609 -20.6609 -20.6609 -20.6609 -16.4647 -16.4647 -16.4647 -16.4647 -16.2832 -16.2832 -16.2832 -16.2832 -16.1235 -16.1235 -16.1235 -16.1235 -8.5760 -8.5760 -8.5760 -8.5760 -5.7594 -5.7594 -5.7594 -5.7594 -4.8071 -4.8071 -4.8071 -4.8071 -4.3441 -4.3441 -4.3441 -4.3441 4.9621 4.9621 4.9621 4.9621 5.3264 5.3264 5.3264 5.3264 5.7195 5.7195 5.7195 5.7195 11.4069 11.4069 11.4069 11.4069 12.5312 12.5312 12.5312 12.5312 13.1557 13.1557 k = 0.5000 0.5000 0.3132 ( 6664 PWs) bands (ev): -44.3208 -44.3208 -44.3208 -44.3208 -20.6609 -20.6609 -20.6609 -20.6609 -16.4647 -16.4647 -16.4647 -16.4647 -16.2831 -16.2831 -16.2831 -16.2831 -16.1235 -16.1235 -16.1235 -16.1235 -8.5761 -8.5761 -8.5761 -8.5761 -5.7593 -5.7593 -5.7593 -5.7593 -4.8070 -4.8070 -4.8070 -4.8070 -4.3441 -4.3441 -4.3441 -4.3441 4.9617 4.9617 4.9617 4.9617 5.3253 5.3253 5.3253 5.3253 5.7200 5.7200 5.7200 5.7200 11.4081 11.4081 11.4081 11.4081 12.5447 12.5447 12.5447 12.5447 13.1438 13.1438 Writing output data file RbNaO.save init_run : 0.36s CPU 0.49s WALL ( 1 calls) electrons : 221.02s CPU 224.45s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 221.02s CPU 224.44s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.10s WALL ( 350 calls) cegterg : 204.14s CPU 206.67s WALL ( 403 calls) Called by sum_band: Called by *egterg: h_psi : 110.59s CPU 112.54s WALL ( 7539 calls) s_psi : 5.34s CPU 5.28s WALL ( 7539 calls) g_psi : 0.34s CPU 0.42s WALL ( 6786 calls) cdiaghg : 71.65s CPU 72.38s WALL ( 7136 calls) cegterg:over : 10.60s CPU 10.71s WALL ( 6786 calls) cegterg:upda : 10.27s CPU 10.28s WALL ( 6786 calls) cegterg:last : 4.91s CPU 4.86s WALL ( 1103 calls) cdiaghg:chol : 4.13s CPU 4.11s WALL ( 7136 calls) cdiaghg:inve : 2.86s CPU 2.95s WALL ( 7136 calls) cdiaghg:para : 4.91s CPU 4.84s WALL ( 14272 calls) Called by h_psi: h_psi:vloc : 97.77s CPU 99.34s WALL ( 7539 calls) h_psi:vnl : 12.48s CPU 12.76s WALL ( 7539 calls) add_vuspsi : 5.94s CPU 6.11s WALL ( 7539 calls) General routines calbec : 6.52s CPU 6.63s WALL ( 7539 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 92.91s CPU 94.35s WALL ( 883604 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.41s WALL ( 700 calls) Parallel routines fft_scatter : 33.15s CPU 33.60s WALL ( 883627 calls) PWSCF : 4m 5.19s CPU 4m32.91s WALL This run was terminated on: 21: 0:46 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=