Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:54:31 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: ./LiHO.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 41 41 11 1442 1442 221 Max 43 43 12 1447 1447 226 Sum 1481 1481 421 51997 51997 8073 bravais-lattice index = 14 lattice parameter (alat) = 6.7010 a.u. unit-cell volume = 367.7586 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.700968 celldm(2)= 1.000000 celldm(3)= 1.222222 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 1.222222 ) 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 0.818182 ) 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 H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) Li 3.00 6.94100 Li( 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= 426 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 2) = ( 0.0000000 0.0111111 -0.0000000), wk = 0.0023474 k( 3) = ( 0.0000000 0.0222222 -0.0000000), wk = 0.0023474 k( 4) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0023474 k( 5) = ( 0.0000000 0.0444444 -0.0000000), wk = 0.0023474 k( 6) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0023474 k( 7) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0023474 k( 8) = ( 0.0000000 0.0777778 -0.0000000), wk = 0.0023474 k( 9) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0023474 k( 10) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0023474 k( 11) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0023474 k( 12) = ( 0.0000000 0.1222222 -0.0000000), wk = 0.0023474 k( 13) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0023474 k( 14) = ( 0.0000000 0.1444444 -0.0000000), wk = 0.0023474 k( 15) = ( 0.0000000 0.1555556 -0.0000000), wk = 0.0023474 k( 16) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0023474 k( 17) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0023474 k( 18) = ( 0.0000000 0.1888889 -0.0000000), wk = 0.0023474 k( 19) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0023474 k( 20) = ( 0.0000000 0.2111111 -0.0000000), wk = 0.0023474 k( 21) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0023474 k( 22) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0023474 k( 23) = ( 0.0000000 0.2444444 -0.0000000), wk = 0.0023474 k( 24) = ( 0.0000000 0.2555556 -0.0000000), wk = 0.0023474 k( 25) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0023474 k( 26) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0023474 k( 27) = ( 0.0000000 0.2888889 -0.0000000), wk = 0.0023474 k( 28) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0023474 k( 29) = ( 0.0000000 0.3111111 -0.0000000), wk = 0.0023474 k( 30) = ( 0.0000000 0.3222222 -0.0000000), wk = 0.0023474 k( 31) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0023474 k( 32) = ( 0.0000000 0.3444444 -0.0000000), wk = 0.0023474 k( 33) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0023474 k( 34) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0023474 k( 35) = ( 0.0000000 0.3777778 -0.0000000), wk = 0.0023474 k( 36) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0023474 k( 37) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0023474 k( 38) = ( 0.0000000 0.4111111 -0.0000000), wk = 0.0023474 k( 39) = ( 0.0000000 0.4222222 -0.0000000), wk = 0.0023474 k( 40) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0023474 k( 41) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0023474 k( 42) = ( 0.0000000 0.4555556 -0.0000000), wk = 0.0023474 k( 43) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0023474 k( 44) = ( 0.0000000 0.4777778 -0.0000000), wk = 0.0023474 k( 45) = ( 0.0000000 0.4888889 -0.0000000), wk = 0.0023474 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023474 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023474 k( 48) = ( 0.0111111 0.5000000 -0.0000000), wk = 0.0023474 k( 49) = ( 0.0222222 0.5000000 -0.0000000), wk = 0.0023474 k( 50) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0023474 k( 51) = ( 0.0444444 0.5000000 -0.0000000), wk = 0.0023474 k( 52) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0023474 k( 53) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0023474 k( 54) = ( 0.0777778 0.5000000 -0.0000000), wk = 0.0023474 k( 55) = ( 0.0888889 0.5000000 -0.0000000), wk = 0.0023474 k( 56) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0023474 k( 57) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0023474 k( 58) = ( 0.1222222 0.5000000 -0.0000000), wk = 0.0023474 k( 59) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0023474 k( 60) = ( 0.1444444 0.5000000 -0.0000000), wk = 0.0023474 k( 61) = ( 0.1555556 0.5000000 -0.0000000), wk = 0.0023474 k( 62) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0023474 k( 63) = ( 0.1777778 0.5000000 -0.0000000), wk = 0.0023474 k( 64) = ( 0.1888889 0.5000000 -0.0000000), wk = 0.0023474 k( 65) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0023474 k( 66) = ( 0.2111111 0.5000000 -0.0000000), wk = 0.0023474 k( 67) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0023474 k( 68) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0023474 k( 69) = ( 0.2444444 0.5000000 -0.0000000), wk = 0.0023474 k( 70) = ( 0.2555556 0.5000000 -0.0000000), wk = 0.0023474 k( 71) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0023474 k( 72) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0023474 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0023474 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0023474 k( 75) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0023474 k( 76) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0023474 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0023474 k( 78) = ( 0.3444444 0.5000000 -0.0000000), wk = 0.0023474 k( 79) = ( 0.3555556 0.5000000 -0.0000000), wk = 0.0023474 k( 80) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0023474 k( 81) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0023474 k( 82) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0023474 k( 83) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0023474 k( 84) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0023474 k( 85) = ( 0.4222222 0.5000000 -0.0000000), wk = 0.0023474 k( 86) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0023474 k( 87) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0023474 k( 88) = ( 0.4555556 0.5000000 -0.0000000), wk = 0.0023474 k( 89) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0023474 k( 90) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0023474 k( 91) = ( 0.4888889 0.5000000 -0.0000000), wk = 0.0023474 k( 92) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023474 k( 93) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023474 k( 94) = ( 0.4920635 0.4920635 -0.0000000), wk = 0.0023474 k( 95) = ( 0.4841270 0.4841270 -0.0000000), wk = 0.0023474 k( 96) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0023474 k( 97) = ( 0.4682540 0.4682540 -0.0000000), wk = 0.0023474 k( 98) = ( 0.4603175 0.4603175 -0.0000000), wk = 0.0023474 k( 99) = ( 0.4523810 0.4523809 -0.0000000), wk = 0.0023474 k( 100) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0023474 k( 101) = ( 0.4365079 0.4365079 -0.0000000), wk = 0.0023474 k( 102) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0023474 k( 103) = ( 0.4206349 0.4206349 -0.0000000), wk = 0.0023474 k( 104) = ( 0.4126984 0.4126984 -0.0000000), wk = 0.0023474 k( 105) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0023474 k( 106) = ( 0.3968254 0.3968254 -0.0000000), wk = 0.0023474 k( 107) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0023474 k( 108) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0023474 k( 109) = ( 0.3730159 0.3730159 -0.0000000), wk = 0.0023474 k( 110) = ( 0.3650794 0.3650794 -0.0000000), wk = 0.0023474 k( 111) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0023474 k( 112) = ( 0.3492063 0.3492063 -0.0000000), wk = 0.0023474 k( 113) = ( 0.3412698 0.3412698 -0.0000000), wk = 0.0023474 k( 114) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023474 k( 115) = ( 0.3253968 0.3253968 -0.0000000), wk = 0.0023474 k( 116) = ( 0.3174603 0.3174603 -0.0000000), wk = 0.0023474 k( 117) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0023474 k( 118) = ( 0.3015873 0.3015873 -0.0000000), wk = 0.0023474 k( 119) = ( 0.2936508 0.2936508 -0.0000000), wk = 0.0023474 k( 120) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0023474 k( 121) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0023474 k( 122) = ( 0.2698413 0.2698413 -0.0000000), wk = 0.0023474 k( 123) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0023474 k( 124) = ( 0.2539683 0.2539683 -0.0000000), wk = 0.0023474 k( 125) = ( 0.2460317 0.2460317 -0.0000000), wk = 0.0023474 k( 126) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0023474 k( 127) = ( 0.2301587 0.2301587 -0.0000000), wk = 0.0023474 k( 128) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0023474 k( 129) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0023474 k( 130) = ( 0.2063492 0.2063492 -0.0000000), wk = 0.0023474 k( 131) = ( 0.1984127 0.1984127 -0.0000000), wk = 0.0023474 k( 132) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0023474 k( 133) = ( 0.1825397 0.1825397 -0.0000000), wk = 0.0023474 k( 134) = ( 0.1746032 0.1746032 -0.0000000), wk = 0.0023474 k( 135) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0023474 k( 136) = ( 0.1587302 0.1587302 -0.0000000), wk = 0.0023474 k( 137) = ( 0.1507937 0.1507936 -0.0000000), wk = 0.0023474 k( 138) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0023474 k( 139) = ( 0.1349206 0.1349206 -0.0000000), wk = 0.0023474 k( 140) = ( 0.1269841 0.1269841 -0.0000000), wk = 0.0023474 k( 141) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0023474 k( 142) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0023474 k( 143) = ( 0.1031746 0.1031746 -0.0000000), wk = 0.0023474 k( 144) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0023474 k( 145) = ( 0.0873016 0.0873016 -0.0000000), wk = 0.0023474 k( 146) = ( 0.0793651 0.0793651 -0.0000000), wk = 0.0023474 k( 147) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0023474 k( 148) = ( 0.0634921 0.0634921 -0.0000000), wk = 0.0023474 k( 149) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0023474 k( 150) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0023474 k( 151) = ( 0.0396825 0.0396825 -0.0000000), wk = 0.0023474 k( 152) = ( 0.0317460 0.0317460 -0.0000000), wk = 0.0023474 k( 153) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0023474 k( 154) = ( 0.0158730 0.0158730 -0.0000000), wk = 0.0023474 k( 155) = ( 0.0079365 0.0079365 -0.0000000), wk = 0.0023474 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 158) = ( 0.0000000 0.0000000 0.0110565), wk = 0.0023474 k( 159) = ( 0.0000000 0.0000000 0.0221130), wk = 0.0023474 k( 160) = ( 0.0000000 0.0000000 0.0331695), wk = 0.0023474 k( 161) = ( 0.0000000 0.0000000 0.0442260), wk = 0.0023474 k( 162) = ( 0.0000000 0.0000000 0.0552826), wk = 0.0023474 k( 163) = ( 0.0000000 0.0000000 0.0663391), wk = 0.0023474 k( 164) = ( 0.0000000 0.0000000 0.0773956), wk = 0.0023474 k( 165) = ( 0.0000000 0.0000000 0.0884521), wk = 0.0023474 k( 166) = ( 0.0000000 0.0000000 0.0995086), wk = 0.0023474 k( 167) = ( 0.0000000 0.0000000 0.1105651), wk = 0.0023474 k( 168) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0023474 k( 169) = ( 0.0000000 0.0000000 0.1326781), wk = 0.0023474 k( 170) = ( 0.0000000 0.0000000 0.1437346), wk = 0.0023474 k( 171) = ( 0.0000000 0.0000000 0.1547912), wk = 0.0023474 k( 172) = ( 0.0000000 0.0000000 0.1658477), wk = 0.0023474 k( 173) = ( 0.0000000 0.0000000 0.1769042), wk = 0.0023474 k( 174) = ( 0.0000000 0.0000000 0.1879607), wk = 0.0023474 k( 175) = ( 0.0000000 0.0000000 0.1990172), wk = 0.0023474 k( 176) = ( 0.0000000 0.0000000 0.2100737), wk = 0.0023474 k( 177) = ( 0.0000000 0.0000000 0.2211302), wk = 0.0023474 k( 178) = ( 0.0000000 0.0000000 0.2321867), wk = 0.0023474 k( 179) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0023474 k( 180) = ( 0.0000000 0.0000000 0.2542998), wk = 0.0023474 k( 181) = ( 0.0000000 0.0000000 0.2653563), wk = 0.0023474 k( 182) = ( 0.0000000 0.0000000 0.2764128), wk = 0.0023474 k( 183) = ( 0.0000000 0.0000000 0.2874693), wk = 0.0023474 k( 184) = ( 0.0000000 0.0000000 0.2985258), wk = 0.0023474 k( 185) = ( 0.0000000 0.0000000 0.3095823), wk = 0.0023474 k( 186) = ( 0.0000000 0.0000000 0.3206388), wk = 0.0023474 k( 187) = ( 0.0000000 0.0000000 0.3316953), wk = 0.0023474 k( 188) = ( 0.0000000 0.0000000 0.3427518), wk = 0.0023474 k( 189) = ( 0.0000000 0.0000000 0.3538084), wk = 0.0023474 k( 190) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0023474 k( 191) = ( 0.0000000 0.0000000 0.3759214), wk = 0.0023474 k( 192) = ( 0.0000000 0.0000000 0.3869779), wk = 0.0023474 k( 193) = ( 0.0000000 0.0000000 0.3980344), wk = 0.0023474 k( 194) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0023474 k( 195) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0023474 k( 196) = ( 0.0000000 0.0111111 0.4090909), wk = 0.0023474 k( 197) = ( 0.0000000 0.0222222 0.4090909), wk = 0.0023474 k( 198) = ( 0.0000000 0.0333333 0.4090909), wk = 0.0023474 k( 199) = ( 0.0000000 0.0444444 0.4090909), wk = 0.0023474 k( 200) = ( 0.0000000 0.0555556 0.4090909), wk = 0.0023474 k( 201) = ( 0.0000000 0.0666667 0.4090909), wk = 0.0023474 k( 202) = ( 0.0000000 0.0777778 0.4090909), wk = 0.0023474 k( 203) = ( 0.0000000 0.0888889 0.4090909), wk = 0.0023474 k( 204) = ( 0.0000000 0.1000000 0.4090909), wk = 0.0023474 k( 205) = ( 0.0000000 0.1111111 0.4090909), wk = 0.0023474 k( 206) = ( 0.0000000 0.1222222 0.4090909), wk = 0.0023474 k( 207) = ( 0.0000000 0.1333333 0.4090909), wk = 0.0023474 k( 208) = ( 0.0000000 0.1444444 0.4090909), wk = 0.0023474 k( 209) = ( 0.0000000 0.1555556 0.4090909), wk = 0.0023474 k( 210) = ( 0.0000000 0.1666667 0.4090909), wk = 0.0023474 k( 211) = ( 0.0000000 0.1777778 0.4090909), wk = 0.0023474 k( 212) = ( 0.0000000 0.1888889 0.4090909), wk = 0.0023474 k( 213) = ( 0.0000000 0.2000000 0.4090909), wk = 0.0023474 k( 214) = ( 0.0000000 0.2111111 0.4090909), wk = 0.0023474 k( 215) = ( 0.0000000 0.2222222 0.4090909), wk = 0.0023474 k( 216) = ( 0.0000000 0.2333333 0.4090909), wk = 0.0023474 k( 217) = ( 0.0000000 0.2444444 0.4090909), wk = 0.0023474 k( 218) = ( 0.0000000 0.2555556 0.4090909), wk = 0.0023474 k( 219) = ( 0.0000000 0.2666667 0.4090909), wk = 0.0023474 k( 220) = ( 0.0000000 0.2777778 0.4090909), wk = 0.0023474 k( 221) = ( 0.0000000 0.2888889 0.4090909), wk = 0.0023474 k( 222) = ( 0.0000000 0.3000000 0.4090909), wk = 0.0023474 k( 223) = ( 0.0000000 0.3111111 0.4090909), wk = 0.0023474 k( 224) = ( 0.0000000 0.3222222 0.4090909), wk = 0.0023474 k( 225) = ( 0.0000000 0.3333333 0.4090909), wk = 0.0023474 k( 226) = ( 0.0000000 0.3444444 0.4090909), wk = 0.0023474 k( 227) = ( 0.0000000 0.3555556 0.4090909), wk = 0.0023474 k( 228) = ( 0.0000000 0.3666667 0.4090909), wk = 0.0023474 k( 229) = ( 0.0000000 0.3777778 0.4090909), wk = 0.0023474 k( 230) = ( 0.0000000 0.3888889 0.4090909), wk = 0.0023474 k( 231) = ( 0.0000000 0.4000000 0.4090909), wk = 0.0023474 k( 232) = ( 0.0000000 0.4111111 0.4090909), wk = 0.0023474 k( 233) = ( 0.0000000 0.4222222 0.4090909), wk = 0.0023474 k( 234) = ( 0.0000000 0.4333333 0.4090909), wk = 0.0023474 k( 235) = ( 0.0000000 0.4444444 0.4090909), wk = 0.0023474 k( 236) = ( 0.0000000 0.4555556 0.4090909), wk = 0.0023474 k( 237) = ( 0.0000000 0.4666667 0.4090909), wk = 0.0023474 k( 238) = ( 0.0000000 0.4777778 0.4090909), wk = 0.0023474 k( 239) = ( 0.0000000 0.4888889 0.4090909), wk = 0.0023474 k( 240) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0023474 k( 241) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0023474 k( 242) = ( 0.0111111 0.5000000 0.4090909), wk = 0.0023474 k( 243) = ( 0.0222222 0.5000000 0.4090909), wk = 0.0023474 k( 244) = ( 0.0333333 0.5000000 0.4090909), wk = 0.0023474 k( 245) = ( 0.0444444 0.5000000 0.4090909), wk = 0.0023474 k( 246) = ( 0.0555556 0.5000000 0.4090909), wk = 0.0023474 k( 247) = ( 0.0666667 0.5000000 0.4090909), wk = 0.0023474 k( 248) = ( 0.0777778 0.5000000 0.4090909), wk = 0.0023474 k( 249) = ( 0.0888889 0.5000000 0.4090909), wk = 0.0023474 k( 250) = ( 0.1000000 0.5000000 0.4090909), wk = 0.0023474 k( 251) = ( 0.1111111 0.5000000 0.4090909), wk = 0.0023474 k( 252) = ( 0.1222222 0.5000000 0.4090909), wk = 0.0023474 k( 253) = ( 0.1333333 0.5000000 0.4090909), wk = 0.0023474 k( 254) = ( 0.1444444 0.5000000 0.4090909), wk = 0.0023474 k( 255) = ( 0.1555556 0.5000000 0.4090909), wk = 0.0023474 k( 256) = ( 0.1666667 0.5000000 0.4090909), wk = 0.0023474 k( 257) = ( 0.1777778 0.5000000 0.4090909), wk = 0.0023474 k( 258) = ( 0.1888889 0.5000000 0.4090909), wk = 0.0023474 k( 259) = ( 0.2000000 0.5000000 0.4090909), wk = 0.0023474 k( 260) = ( 0.2111111 0.5000000 0.4090909), wk = 0.0023474 k( 261) = ( 0.2222222 0.5000000 0.4090909), wk = 0.0023474 k( 262) = ( 0.2333333 0.5000000 0.4090909), wk = 0.0023474 k( 263) = ( 0.2444444 0.5000000 0.4090909), wk = 0.0023474 k( 264) = ( 0.2555556 0.5000000 0.4090909), wk = 0.0023474 k( 265) = ( 0.2666667 0.5000000 0.4090909), wk = 0.0023474 k( 266) = ( 0.2777778 0.5000000 0.4090909), wk = 0.0023474 k( 267) = ( 0.2888889 0.5000000 0.4090909), wk = 0.0023474 k( 268) = ( 0.3000000 0.5000000 0.4090909), wk = 0.0023474 k( 269) = ( 0.3111111 0.5000000 0.4090909), wk = 0.0023474 k( 270) = ( 0.3222222 0.5000000 0.4090909), wk = 0.0023474 k( 271) = ( 0.3333333 0.5000000 0.4090909), wk = 0.0023474 k( 272) = ( 0.3444444 0.5000000 0.4090909), wk = 0.0023474 k( 273) = ( 0.3555556 0.5000000 0.4090909), wk = 0.0023474 k( 274) = ( 0.3666667 0.5000000 0.4090909), wk = 0.0023474 k( 275) = ( 0.3777778 0.5000000 0.4090909), wk = 0.0023474 k( 276) = ( 0.3888889 0.5000000 0.4090909), wk = 0.0023474 k( 277) = ( 0.4000000 0.5000000 0.4090909), wk = 0.0023474 k( 278) = ( 0.4111111 0.5000000 0.4090909), wk = 0.0023474 k( 279) = ( 0.4222222 0.5000000 0.4090909), wk = 0.0023474 k( 280) = ( 0.4333333 0.5000000 0.4090909), wk = 0.0023474 k( 281) = ( 0.4444444 0.5000000 0.4090909), wk = 0.0023474 k( 282) = ( 0.4555556 0.5000000 0.4090909), wk = 0.0023474 k( 283) = ( 0.4666667 0.5000000 0.4090909), wk = 0.0023474 k( 284) = ( 0.4777778 0.5000000 0.4090909), wk = 0.0023474 k( 285) = ( 0.4888889 0.5000000 0.4090909), wk = 0.0023474 k( 286) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0023474 k( 287) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0023474 k( 288) = ( 0.4920635 0.4920635 0.4090909), wk = 0.0023474 k( 289) = ( 0.4841270 0.4841270 0.4090909), wk = 0.0023474 k( 290) = ( 0.4761905 0.4761905 0.4090909), wk = 0.0023474 k( 291) = ( 0.4682540 0.4682540 0.4090909), wk = 0.0023474 k( 292) = ( 0.4603175 0.4603175 0.4090909), wk = 0.0023474 k( 293) = ( 0.4523810 0.4523809 0.4090909), wk = 0.0023474 k( 294) = ( 0.4444444 0.4444444 0.4090909), wk = 0.0023474 k( 295) = ( 0.4365079 0.4365079 0.4090909), wk = 0.0023474 k( 296) = ( 0.4285714 0.4285714 0.4090909), wk = 0.0023474 k( 297) = ( 0.4206349 0.4206349 0.4090909), wk = 0.0023474 k( 298) = ( 0.4126984 0.4126984 0.4090909), wk = 0.0023474 k( 299) = ( 0.4047619 0.4047619 0.4090909), wk = 0.0023474 k( 300) = ( 0.3968254 0.3968254 0.4090909), wk = 0.0023474 k( 301) = ( 0.3888889 0.3888889 0.4090909), wk = 0.0023474 k( 302) = ( 0.3809524 0.3809524 0.4090909), wk = 0.0023474 k( 303) = ( 0.3730159 0.3730159 0.4090909), wk = 0.0023474 k( 304) = ( 0.3650794 0.3650794 0.4090909), wk = 0.0023474 k( 305) = ( 0.3571429 0.3571429 0.4090909), wk = 0.0023474 k( 306) = ( 0.3492063 0.3492063 0.4090909), wk = 0.0023474 k( 307) = ( 0.3412698 0.3412698 0.4090909), wk = 0.0023474 k( 308) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0023474 k( 309) = ( 0.3253968 0.3253968 0.4090909), wk = 0.0023474 k( 310) = ( 0.3174603 0.3174603 0.4090909), wk = 0.0023474 k( 311) = ( 0.3095238 0.3095238 0.4090909), wk = 0.0023474 k( 312) = ( 0.3015873 0.3015873 0.4090909), wk = 0.0023474 k( 313) = ( 0.2936508 0.2936508 0.4090909), wk = 0.0023474 k( 314) = ( 0.2857143 0.2857143 0.4090909), wk = 0.0023474 k( 315) = ( 0.2777778 0.2777778 0.4090909), wk = 0.0023474 k( 316) = ( 0.2698413 0.2698413 0.4090909), wk = 0.0023474 k( 317) = ( 0.2619048 0.2619048 0.4090909), wk = 0.0023474 k( 318) = ( 0.2539683 0.2539683 0.4090909), wk = 0.0023474 k( 319) = ( 0.2460317 0.2460317 0.4090909), wk = 0.0023474 k( 320) = ( 0.2380952 0.2380952 0.4090909), wk = 0.0023474 k( 321) = ( 0.2301587 0.2301587 0.4090909), wk = 0.0023474 k( 322) = ( 0.2222222 0.2222222 0.4090909), wk = 0.0023474 k( 323) = ( 0.2142857 0.2142857 0.4090909), wk = 0.0023474 k( 324) = ( 0.2063492 0.2063492 0.4090909), wk = 0.0023474 k( 325) = ( 0.1984127 0.1984127 0.4090909), wk = 0.0023474 k( 326) = ( 0.1904762 0.1904762 0.4090909), wk = 0.0023474 k( 327) = ( 0.1825397 0.1825397 0.4090909), wk = 0.0023474 k( 328) = ( 0.1746032 0.1746032 0.4090909), wk = 0.0023474 k( 329) = ( 0.1666667 0.1666667 0.4090909), wk = 0.0023474 k( 330) = ( 0.1587302 0.1587302 0.4090909), wk = 0.0023474 k( 331) = ( 0.1507937 0.1507936 0.4090909), wk = 0.0023474 k( 332) = ( 0.1428571 0.1428571 0.4090909), wk = 0.0023474 k( 333) = ( 0.1349206 0.1349206 0.4090909), wk = 0.0023474 k( 334) = ( 0.1269841 0.1269841 0.4090909), wk = 0.0023474 k( 335) = ( 0.1190476 0.1190476 0.4090909), wk = 0.0023474 k( 336) = ( 0.1111111 0.1111111 0.4090909), wk = 0.0023474 k( 337) = ( 0.1031746 0.1031746 0.4090909), wk = 0.0023474 k( 338) = ( 0.0952381 0.0952381 0.4090909), wk = 0.0023474 k( 339) = ( 0.0873016 0.0873016 0.4090909), wk = 0.0023474 k( 340) = ( 0.0793651 0.0793651 0.4090909), wk = 0.0023474 k( 341) = ( 0.0714286 0.0714286 0.4090909), wk = 0.0023474 k( 342) = ( 0.0634921 0.0634921 0.4090909), wk = 0.0023474 k( 343) = ( 0.0555556 0.0555556 0.4090909), wk = 0.0023474 k( 344) = ( 0.0476191 0.0476190 0.4090909), wk = 0.0023474 k( 345) = ( 0.0396825 0.0396825 0.4090909), wk = 0.0023474 k( 346) = ( 0.0317460 0.0317460 0.4090909), wk = 0.0023474 k( 347) = ( 0.0238095 0.0238095 0.4090909), wk = 0.0023474 k( 348) = ( 0.0158730 0.0158730 0.4090909), wk = 0.0023474 k( 349) = ( 0.0079365 0.0079365 0.4090909), wk = 0.0023474 k( 350) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0023474 k( 351) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023474 k( 352) = ( 0.0000000 0.5000000 0.0110565), wk = 0.0023474 k( 353) = ( 0.0000000 0.5000000 0.0221130), wk = 0.0023474 k( 354) = ( 0.0000000 0.5000000 0.0331695), wk = 0.0023474 k( 355) = ( 0.0000000 0.5000000 0.0442260), wk = 0.0023474 k( 356) = ( 0.0000000 0.5000000 0.0552826), wk = 0.0023474 k( 357) = ( 0.0000000 0.5000000 0.0663391), wk = 0.0023474 k( 358) = ( 0.0000000 0.5000000 0.0773956), wk = 0.0023474 k( 359) = ( 0.0000000 0.5000000 0.0884521), wk = 0.0023474 k( 360) = ( 0.0000000 0.5000000 0.0995086), wk = 0.0023474 k( 361) = ( 0.0000000 0.5000000 0.1105651), wk = 0.0023474 k( 362) = ( 0.0000000 0.5000000 0.1216216), wk = 0.0023474 k( 363) = ( 0.0000000 0.5000000 0.1326781), wk = 0.0023474 k( 364) = ( 0.0000000 0.5000000 0.1437346), wk = 0.0023474 k( 365) = ( 0.0000000 0.5000000 0.1547912), wk = 0.0023474 k( 366) = ( 0.0000000 0.5000000 0.1658477), wk = 0.0023474 k( 367) = ( 0.0000000 0.5000000 0.1769042), wk = 0.0023474 k( 368) = ( 0.0000000 0.5000000 0.1879607), wk = 0.0023474 k( 369) = ( 0.0000000 0.5000000 0.1990172), wk = 0.0023474 k( 370) = ( 0.0000000 0.5000000 0.2100737), wk = 0.0023474 k( 371) = ( 0.0000000 0.5000000 0.2211302), wk = 0.0023474 k( 372) = ( 0.0000000 0.5000000 0.2321867), wk = 0.0023474 k( 373) = ( 0.0000000 0.5000000 0.2432432), wk = 0.0023474 k( 374) = ( 0.0000000 0.5000000 0.2542998), wk = 0.0023474 k( 375) = ( 0.0000000 0.5000000 0.2653563), wk = 0.0023474 k( 376) = ( 0.0000000 0.5000000 0.2764128), wk = 0.0023474 k( 377) = ( 0.0000000 0.5000000 0.2874693), wk = 0.0023474 k( 378) = ( 0.0000000 0.5000000 0.2985258), wk = 0.0023474 k( 379) = ( 0.0000000 0.5000000 0.3095823), wk = 0.0023474 k( 380) = ( 0.0000000 0.5000000 0.3206388), wk = 0.0023474 k( 381) = ( 0.0000000 0.5000000 0.3316953), wk = 0.0023474 k( 382) = ( 0.0000000 0.5000000 0.3427518), wk = 0.0023474 k( 383) = ( 0.0000000 0.5000000 0.3538084), wk = 0.0023474 k( 384) = ( 0.0000000 0.5000000 0.3648649), wk = 0.0023474 k( 385) = ( 0.0000000 0.5000000 0.3759214), wk = 0.0023474 k( 386) = ( 0.0000000 0.5000000 0.3869779), wk = 0.0023474 k( 387) = ( 0.0000000 0.5000000 0.3980344), wk = 0.0023474 k( 388) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0023474 k( 389) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023474 k( 390) = ( 0.5000000 0.5000000 0.0110565), wk = 0.0023474 k( 391) = ( 0.5000000 0.5000000 0.0221130), wk = 0.0023474 k( 392) = ( 0.5000000 0.5000000 0.0331695), wk = 0.0023474 k( 393) = ( 0.5000000 0.5000000 0.0442260), wk = 0.0023474 k( 394) = ( 0.5000000 0.5000000 0.0552826), wk = 0.0023474 k( 395) = ( 0.5000000 0.5000000 0.0663391), wk = 0.0023474 k( 396) = ( 0.5000000 0.5000000 0.0773956), wk = 0.0023474 k( 397) = ( 0.5000000 0.5000000 0.0884521), wk = 0.0023474 k( 398) = ( 0.5000000 0.5000000 0.0995086), wk = 0.0023474 k( 399) = ( 0.5000000 0.5000000 0.1105651), wk = 0.0023474 k( 400) = ( 0.5000000 0.5000000 0.1216216), wk = 0.0023474 k( 401) = ( 0.5000000 0.5000000 0.1326781), wk = 0.0023474 k( 402) = ( 0.5000000 0.5000000 0.1437346), wk = 0.0023474 k( 403) = ( 0.5000000 0.5000000 0.1547912), wk = 0.0023474 k( 404) = ( 0.5000000 0.5000000 0.1658477), wk = 0.0023474 k( 405) = ( 0.5000000 0.5000000 0.1769042), wk = 0.0023474 k( 406) = ( 0.5000000 0.5000000 0.1879607), wk = 0.0023474 k( 407) = ( 0.5000000 0.5000000 0.1990172), wk = 0.0023474 k( 408) = ( 0.5000000 0.5000000 0.2100737), wk = 0.0023474 k( 409) = ( 0.5000000 0.5000000 0.2211302), wk = 0.0023474 k( 410) = ( 0.5000000 0.5000000 0.2321867), wk = 0.0023474 k( 411) = ( 0.5000000 0.5000000 0.2432432), wk = 0.0023474 k( 412) = ( 0.5000000 0.5000000 0.2542998), wk = 0.0023474 k( 413) = ( 0.5000000 0.5000000 0.2653563), wk = 0.0023474 k( 414) = ( 0.5000000 0.5000000 0.2764128), wk = 0.0023474 k( 415) = ( 0.5000000 0.5000000 0.2874693), wk = 0.0023474 k( 416) = ( 0.5000000 0.5000000 0.2985258), wk = 0.0023474 k( 417) = ( 0.5000000 0.5000000 0.3095823), wk = 0.0023474 k( 418) = ( 0.5000000 0.5000000 0.3206388), wk = 0.0023474 k( 419) = ( 0.5000000 0.5000000 0.3316953), wk = 0.0023474 k( 420) = ( 0.5000000 0.5000000 0.3427518), wk = 0.0023474 k( 421) = ( 0.5000000 0.5000000 0.3538084), wk = 0.0023474 k( 422) = ( 0.5000000 0.5000000 0.3648649), wk = 0.0023474 k( 423) = ( 0.5000000 0.5000000 0.3759214), wk = 0.0023474 k( 424) = ( 0.5000000 0.5000000 0.3869779), wk = 0.0023474 k( 425) = ( 0.5000000 0.5000000 0.3980344), wk = 0.0023474 k( 426) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0023474 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 2) = ( 0.0000000 0.0111111 0.0000000), wk = 0.0023474 k( 3) = ( 0.0000000 0.0222222 0.0000000), wk = 0.0023474 k( 4) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0023474 k( 5) = ( 0.0000000 0.0444444 0.0000000), wk = 0.0023474 k( 6) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0023474 k( 7) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0023474 k( 8) = ( 0.0000000 0.0777778 0.0000000), wk = 0.0023474 k( 9) = ( 0.0000000 0.0888889 0.0000000), wk = 0.0023474 k( 10) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0023474 k( 11) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0023474 k( 12) = ( 0.0000000 0.1222222 -0.0000000), wk = 0.0023474 k( 13) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0023474 k( 14) = ( 0.0000000 0.1444444 -0.0000000), wk = 0.0023474 k( 15) = ( 0.0000000 0.1555556 0.0000000), wk = 0.0023474 k( 16) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0023474 k( 17) = ( 0.0000000 0.1777778 0.0000000), wk = 0.0023474 k( 18) = ( 0.0000000 0.1888889 -0.0000000), wk = 0.0023474 k( 19) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0023474 k( 20) = ( 0.0000000 0.2111111 0.0000000), wk = 0.0023474 k( 21) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0023474 k( 22) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0023474 k( 23) = ( 0.0000000 0.2444444 -0.0000000), wk = 0.0023474 k( 24) = ( 0.0000000 0.2555556 -0.0000000), wk = 0.0023474 k( 25) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0023474 k( 26) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0023474 k( 27) = ( 0.0000000 0.2888889 0.0000000), wk = 0.0023474 k( 28) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0023474 k( 29) = ( 0.0000000 0.3111111 -0.0000000), wk = 0.0023474 k( 30) = ( 0.0000000 0.3222222 0.0000000), wk = 0.0023474 k( 31) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0023474 k( 32) = ( 0.0000000 0.3444444 -0.0000000), wk = 0.0023474 k( 33) = ( 0.0000000 0.3555556 0.0000000), wk = 0.0023474 k( 34) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0023474 k( 35) = ( 0.0000000 0.3777778 -0.0000000), wk = 0.0023474 k( 36) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0023474 k( 37) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0023474 k( 38) = ( 0.0000000 0.4111111 0.0000000), wk = 0.0023474 k( 39) = ( 0.0000000 0.4222222 0.0000000), wk = 0.0023474 k( 40) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0023474 k( 41) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0023474 k( 42) = ( 0.0000000 0.4555556 0.0000000), wk = 0.0023474 k( 43) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0023474 k( 44) = ( 0.0000000 0.4777778 0.0000000), wk = 0.0023474 k( 45) = ( 0.0000000 0.4888889 0.0000000), wk = 0.0023474 k( 46) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023474 k( 47) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023474 k( 48) = ( 0.0111111 0.5000000 -0.0000000), wk = 0.0023474 k( 49) = ( 0.0222222 0.5000000 -0.0000000), wk = 0.0023474 k( 50) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0023474 k( 51) = ( 0.0444444 0.5000000 0.0000000), wk = 0.0023474 k( 52) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0023474 k( 53) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0023474 k( 54) = ( 0.0777778 0.5000000 0.0000000), wk = 0.0023474 k( 55) = ( 0.0888889 0.5000000 0.0000000), wk = 0.0023474 k( 56) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0023474 k( 57) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0023474 k( 58) = ( 0.1222222 0.5000000 -0.0000000), wk = 0.0023474 k( 59) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0023474 k( 60) = ( 0.1444444 0.5000000 -0.0000000), wk = 0.0023474 k( 61) = ( 0.1555556 0.5000000 0.0000000), wk = 0.0023474 k( 62) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0023474 k( 63) = ( 0.1777778 0.5000000 0.0000000), wk = 0.0023474 k( 64) = ( 0.1888889 0.5000000 0.0000000), wk = 0.0023474 k( 65) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0023474 k( 66) = ( 0.2111111 0.5000000 0.0000000), wk = 0.0023474 k( 67) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0023474 k( 68) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0023474 k( 69) = ( 0.2444444 0.5000000 -0.0000000), wk = 0.0023474 k( 70) = ( 0.2555556 0.5000000 -0.0000000), wk = 0.0023474 k( 71) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0023474 k( 72) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0023474 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0023474 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0023474 k( 75) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0023474 k( 76) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0023474 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0023474 k( 78) = ( 0.3444444 0.5000000 -0.0000000), wk = 0.0023474 k( 79) = ( 0.3555556 0.5000000 -0.0000000), wk = 0.0023474 k( 80) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0023474 k( 81) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0023474 k( 82) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0023474 k( 83) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0023474 k( 84) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0023474 k( 85) = ( 0.4222222 0.5000000 -0.0000000), wk = 0.0023474 k( 86) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0023474 k( 87) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0023474 k( 88) = ( 0.4555556 0.5000000 -0.0000000), wk = 0.0023474 k( 89) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0023474 k( 90) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0023474 k( 91) = ( 0.4888889 0.5000000 0.0000000), wk = 0.0023474 k( 92) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023474 k( 93) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023474 k( 94) = ( 0.4920635 0.4920635 0.0000000), wk = 0.0023474 k( 95) = ( 0.4841270 0.4841270 -0.0000000), wk = 0.0023474 k( 96) = ( 0.4761905 0.4761905 0.0000000), wk = 0.0023474 k( 97) = ( 0.4682540 0.4682540 0.0000000), wk = 0.0023474 k( 98) = ( 0.4603175 0.4603175 -0.0000000), wk = 0.0023474 k( 99) = ( 0.4523810 0.4523810 -0.0000000), wk = 0.0023474 k( 100) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0023474 k( 101) = ( 0.4365079 0.4365079 -0.0000000), wk = 0.0023474 k( 102) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0023474 k( 103) = ( 0.4206349 0.4206349 -0.0000000), wk = 0.0023474 k( 104) = ( 0.4126984 0.4126984 -0.0000000), wk = 0.0023474 k( 105) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0023474 k( 106) = ( 0.3968254 0.3968254 -0.0000000), wk = 0.0023474 k( 107) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0023474 k( 108) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0023474 k( 109) = ( 0.3730159 0.3730159 -0.0000000), wk = 0.0023474 k( 110) = ( 0.3650794 0.3650794 -0.0000000), wk = 0.0023474 k( 111) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0023474 k( 112) = ( 0.3492063 0.3492063 -0.0000000), wk = 0.0023474 k( 113) = ( 0.3412698 0.3412698 -0.0000000), wk = 0.0023474 k( 114) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023474 k( 115) = ( 0.3253968 0.3253968 -0.0000000), wk = 0.0023474 k( 116) = ( 0.3174603 0.3174603 -0.0000000), wk = 0.0023474 k( 117) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0023474 k( 118) = ( 0.3015873 0.3015873 -0.0000000), wk = 0.0023474 k( 119) = ( 0.2936508 0.2936508 -0.0000000), wk = 0.0023474 k( 120) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0023474 k( 121) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0023474 k( 122) = ( 0.2698413 0.2698413 -0.0000000), wk = 0.0023474 k( 123) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0023474 k( 124) = ( 0.2539683 0.2539683 -0.0000000), wk = 0.0023474 k( 125) = ( 0.2460317 0.2460317 0.0000000), wk = 0.0023474 k( 126) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0023474 k( 127) = ( 0.2301587 0.2301587 -0.0000000), wk = 0.0023474 k( 128) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0023474 k( 129) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0023474 k( 130) = ( 0.2063492 0.2063492 -0.0000000), wk = 0.0023474 k( 131) = ( 0.1984127 0.1984127 -0.0000000), wk = 0.0023474 k( 132) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0023474 k( 133) = ( 0.1825397 0.1825397 -0.0000000), wk = 0.0023474 k( 134) = ( 0.1746032 0.1746032 -0.0000000), wk = 0.0023474 k( 135) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0023474 k( 136) = ( 0.1587302 0.1587302 -0.0000000), wk = 0.0023474 k( 137) = ( 0.1507937 0.1507937 -0.0000000), wk = 0.0023474 k( 138) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0023474 k( 139) = ( 0.1349206 0.1349206 0.0000000), wk = 0.0023474 k( 140) = ( 0.1269841 0.1269841 -0.0000000), wk = 0.0023474 k( 141) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0023474 k( 142) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0023474 k( 143) = ( 0.1031746 0.1031746 -0.0000000), wk = 0.0023474 k( 144) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0023474 k( 145) = ( 0.0873016 0.0873016 -0.0000000), wk = 0.0023474 k( 146) = ( 0.0793651 0.0793651 -0.0000000), wk = 0.0023474 k( 147) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0023474 k( 148) = ( 0.0634921 0.0634921 0.0000000), wk = 0.0023474 k( 149) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0023474 k( 150) = ( 0.0476191 0.0476191 -0.0000000), wk = 0.0023474 k( 151) = ( 0.0396825 0.0396825 -0.0000000), wk = 0.0023474 k( 152) = ( 0.0317460 0.0317460 0.0000000), wk = 0.0023474 k( 153) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0023474 k( 154) = ( 0.0158730 0.0158730 -0.0000000), wk = 0.0023474 k( 155) = ( 0.0079365 0.0079365 -0.0000000), wk = 0.0023474 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023474 k( 158) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0023474 k( 159) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0023474 k( 160) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0023474 k( 161) = ( 0.0000000 0.0000000 0.0540541), wk = 0.0023474 k( 162) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0023474 k( 163) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0023474 k( 164) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0023474 k( 165) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0023474 k( 166) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0023474 k( 167) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0023474 k( 168) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0023474 k( 169) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0023474 k( 170) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0023474 k( 171) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0023474 k( 172) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0023474 k( 173) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0023474 k( 174) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0023474 k( 175) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0023474 k( 176) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0023474 k( 177) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0023474 k( 178) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0023474 k( 179) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0023474 k( 180) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0023474 k( 181) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0023474 k( 182) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0023474 k( 183) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0023474 k( 184) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0023474 k( 185) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0023474 k( 186) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0023474 k( 187) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0023474 k( 188) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0023474 k( 189) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0023474 k( 190) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0023474 k( 191) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0023474 k( 192) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0023474 k( 193) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0023474 k( 194) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023474 k( 195) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023474 k( 196) = ( 0.0000000 0.0111111 0.5000000), wk = 0.0023474 k( 197) = ( 0.0000000 0.0222222 0.5000000), wk = 0.0023474 k( 198) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0023474 k( 199) = ( 0.0000000 0.0444444 0.5000000), wk = 0.0023474 k( 200) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0023474 k( 201) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0023474 k( 202) = ( 0.0000000 0.0777778 0.5000000), wk = 0.0023474 k( 203) = ( 0.0000000 0.0888889 0.5000000), wk = 0.0023474 k( 204) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0023474 k( 205) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0023474 k( 206) = ( 0.0000000 0.1222222 0.5000000), wk = 0.0023474 k( 207) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0023474 k( 208) = ( 0.0000000 0.1444444 0.5000000), wk = 0.0023474 k( 209) = ( 0.0000000 0.1555556 0.5000000), wk = 0.0023474 k( 210) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0023474 k( 211) = ( 0.0000000 0.1777778 0.5000000), wk = 0.0023474 k( 212) = ( 0.0000000 0.1888889 0.5000000), wk = 0.0023474 k( 213) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0023474 k( 214) = ( 0.0000000 0.2111111 0.5000000), wk = 0.0023474 k( 215) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0023474 k( 216) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0023474 k( 217) = ( 0.0000000 0.2444444 0.5000000), wk = 0.0023474 k( 218) = ( 0.0000000 0.2555556 0.5000000), wk = 0.0023474 k( 219) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0023474 k( 220) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0023474 k( 221) = ( 0.0000000 0.2888889 0.5000000), wk = 0.0023474 k( 222) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0023474 k( 223) = ( 0.0000000 0.3111111 0.5000000), wk = 0.0023474 k( 224) = ( 0.0000000 0.3222222 0.5000000), wk = 0.0023474 k( 225) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0023474 k( 226) = ( 0.0000000 0.3444444 0.5000000), wk = 0.0023474 k( 227) = ( 0.0000000 0.3555556 0.5000000), wk = 0.0023474 k( 228) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0023474 k( 229) = ( 0.0000000 0.3777778 0.5000000), wk = 0.0023474 k( 230) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0023474 k( 231) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0023474 k( 232) = ( 0.0000000 0.4111111 0.5000000), wk = 0.0023474 k( 233) = ( 0.0000000 0.4222222 0.5000000), wk = 0.0023474 k( 234) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0023474 k( 235) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0023474 k( 236) = ( 0.0000000 0.4555556 0.5000000), wk = 0.0023474 k( 237) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0023474 k( 238) = ( 0.0000000 0.4777778 0.5000000), wk = 0.0023474 k( 239) = ( 0.0000000 0.4888889 0.5000000), wk = 0.0023474 k( 240) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023474 k( 241) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023474 k( 242) = ( 0.0111111 0.5000000 0.5000000), wk = 0.0023474 k( 243) = ( 0.0222222 0.5000000 0.5000000), wk = 0.0023474 k( 244) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0023474 k( 245) = ( 0.0444444 0.5000000 0.5000000), wk = 0.0023474 k( 246) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0023474 k( 247) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0023474 k( 248) = ( 0.0777778 0.5000000 0.5000000), wk = 0.0023474 k( 249) = ( 0.0888889 0.5000000 0.5000000), wk = 0.0023474 k( 250) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0023474 k( 251) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0023474 k( 252) = ( 0.1222222 0.5000000 0.5000000), wk = 0.0023474 k( 253) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0023474 k( 254) = ( 0.1444444 0.5000000 0.5000000), wk = 0.0023474 k( 255) = ( 0.1555556 0.5000000 0.5000000), wk = 0.0023474 k( 256) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0023474 k( 257) = ( 0.1777778 0.5000000 0.5000000), wk = 0.0023474 k( 258) = ( 0.1888889 0.5000000 0.5000000), wk = 0.0023474 k( 259) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0023474 k( 260) = ( 0.2111111 0.5000000 0.5000000), wk = 0.0023474 k( 261) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0023474 k( 262) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0023474 k( 263) = ( 0.2444444 0.5000000 0.5000000), wk = 0.0023474 k( 264) = ( 0.2555556 0.5000000 0.5000000), wk = 0.0023474 k( 265) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0023474 k( 266) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0023474 k( 267) = ( 0.2888889 0.5000000 0.5000000), wk = 0.0023474 k( 268) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0023474 k( 269) = ( 0.3111111 0.5000000 0.5000000), wk = 0.0023474 k( 270) = ( 0.3222222 0.5000000 0.5000000), wk = 0.0023474 k( 271) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0023474 k( 272) = ( 0.3444444 0.5000000 0.5000000), wk = 0.0023474 k( 273) = ( 0.3555556 0.5000000 0.5000000), wk = 0.0023474 k( 274) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0023474 k( 275) = ( 0.3777778 0.5000000 0.5000000), wk = 0.0023474 k( 276) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0023474 k( 277) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0023474 k( 278) = ( 0.4111111 0.5000000 0.5000000), wk = 0.0023474 k( 279) = ( 0.4222222 0.5000000 0.5000000), wk = 0.0023474 k( 280) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0023474 k( 281) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0023474 k( 282) = ( 0.4555556 0.5000000 0.5000000), wk = 0.0023474 k( 283) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0023474 k( 284) = ( 0.4777778 0.5000000 0.5000000), wk = 0.0023474 k( 285) = ( 0.4888889 0.5000000 0.5000000), wk = 0.0023474 k( 286) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023474 k( 287) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023474 k( 288) = ( 0.4920635 0.4920635 0.5000000), wk = 0.0023474 k( 289) = ( 0.4841270 0.4841270 0.5000000), wk = 0.0023474 k( 290) = ( 0.4761905 0.4761905 0.5000000), wk = 0.0023474 k( 291) = ( 0.4682540 0.4682540 0.5000000), wk = 0.0023474 k( 292) = ( 0.4603175 0.4603175 0.5000000), wk = 0.0023474 k( 293) = ( 0.4523810 0.4523810 0.5000000), wk = 0.0023474 k( 294) = ( 0.4444444 0.4444444 0.5000000), wk = 0.0023474 k( 295) = ( 0.4365079 0.4365079 0.5000000), wk = 0.0023474 k( 296) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0023474 k( 297) = ( 0.4206349 0.4206349 0.5000000), wk = 0.0023474 k( 298) = ( 0.4126984 0.4126984 0.5000000), wk = 0.0023474 k( 299) = ( 0.4047619 0.4047619 0.5000000), wk = 0.0023474 k( 300) = ( 0.3968254 0.3968254 0.5000000), wk = 0.0023474 k( 301) = ( 0.3888889 0.3888889 0.5000000), wk = 0.0023474 k( 302) = ( 0.3809524 0.3809524 0.5000000), wk = 0.0023474 k( 303) = ( 0.3730159 0.3730159 0.5000000), wk = 0.0023474 k( 304) = ( 0.3650794 0.3650794 0.5000000), wk = 0.0023474 k( 305) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0023474 k( 306) = ( 0.3492063 0.3492063 0.5000000), wk = 0.0023474 k( 307) = ( 0.3412698 0.3412698 0.5000000), wk = 0.0023474 k( 308) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023474 k( 309) = ( 0.3253968 0.3253968 0.5000000), wk = 0.0023474 k( 310) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0023474 k( 311) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0023474 k( 312) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0023474 k( 313) = ( 0.2936508 0.2936508 0.5000000), wk = 0.0023474 k( 314) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0023474 k( 315) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0023474 k( 316) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0023474 k( 317) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0023474 k( 318) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0023474 k( 319) = ( 0.2460317 0.2460317 0.5000000), wk = 0.0023474 k( 320) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0023474 k( 321) = ( 0.2301587 0.2301587 0.5000000), wk = 0.0023474 k( 322) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0023474 k( 323) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0023474 k( 324) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0023474 k( 325) = ( 0.1984127 0.1984127 0.5000000), wk = 0.0023474 k( 326) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0023474 k( 327) = ( 0.1825397 0.1825397 0.5000000), wk = 0.0023474 k( 328) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0023474 k( 329) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0023474 k( 330) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0023474 k( 331) = ( 0.1507937 0.1507937 0.5000000), wk = 0.0023474 k( 332) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0023474 k( 333) = ( 0.1349206 0.1349206 0.5000000), wk = 0.0023474 k( 334) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0023474 k( 335) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0023474 k( 336) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0023474 k( 337) = ( 0.1031746 0.1031746 0.5000000), wk = 0.0023474 k( 338) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0023474 k( 339) = ( 0.0873016 0.0873016 0.5000000), wk = 0.0023474 k( 340) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0023474 k( 341) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0023474 k( 342) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0023474 k( 343) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0023474 k( 344) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0023474 k( 345) = ( 0.0396825 0.0396825 0.5000000), wk = 0.0023474 k( 346) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0023474 k( 347) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0023474 k( 348) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0023474 k( 349) = ( 0.0079365 0.0079365 0.5000000), wk = 0.0023474 k( 350) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023474 k( 351) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023474 k( 352) = ( 0.0000000 0.5000000 0.0135135), wk = 0.0023474 k( 353) = ( 0.0000000 0.5000000 0.0270270), wk = 0.0023474 k( 354) = ( 0.0000000 0.5000000 0.0405405), wk = 0.0023474 k( 355) = ( 0.0000000 0.5000000 0.0540540), wk = 0.0023474 k( 356) = ( 0.0000000 0.5000000 0.0675676), wk = 0.0023474 k( 357) = ( 0.0000000 0.5000000 0.0810811), wk = 0.0023474 k( 358) = ( 0.0000000 0.5000000 0.0945946), wk = 0.0023474 k( 359) = ( 0.0000000 0.5000000 0.1081081), wk = 0.0023474 k( 360) = ( 0.0000000 0.5000000 0.1216216), wk = 0.0023474 k( 361) = ( 0.0000000 0.5000000 0.1351351), wk = 0.0023474 k( 362) = ( 0.0000000 0.5000000 0.1486486), wk = 0.0023474 k( 363) = ( 0.0000000 0.5000000 0.1621622), wk = 0.0023474 k( 364) = ( 0.0000000 0.5000000 0.1756757), wk = 0.0023474 k( 365) = ( 0.0000000 0.5000000 0.1891892), wk = 0.0023474 k( 366) = ( 0.0000000 0.5000000 0.2027027), wk = 0.0023474 k( 367) = ( 0.0000000 0.5000000 0.2162162), wk = 0.0023474 k( 368) = ( 0.0000000 0.5000000 0.2297297), wk = 0.0023474 k( 369) = ( 0.0000000 0.5000000 0.2432432), wk = 0.0023474 k( 370) = ( 0.0000000 0.5000000 0.2567568), wk = 0.0023474 k( 371) = ( 0.0000000 0.5000000 0.2702703), wk = 0.0023474 k( 372) = ( 0.0000000 0.5000000 0.2837838), wk = 0.0023474 k( 373) = ( 0.0000000 0.5000000 0.2972973), wk = 0.0023474 k( 374) = ( 0.0000000 0.5000000 0.3108108), wk = 0.0023474 k( 375) = ( 0.0000000 0.5000000 0.3243243), wk = 0.0023474 k( 376) = ( 0.0000000 0.5000000 0.3378378), wk = 0.0023474 k( 377) = ( 0.0000000 0.5000000 0.3513514), wk = 0.0023474 k( 378) = ( 0.0000000 0.5000000 0.3648649), wk = 0.0023474 k( 379) = ( 0.0000000 0.5000000 0.3783784), wk = 0.0023474 k( 380) = ( 0.0000000 0.5000000 0.3918919), wk = 0.0023474 k( 381) = ( 0.0000000 0.5000000 0.4054054), wk = 0.0023474 k( 382) = ( 0.0000000 0.5000000 0.4189189), wk = 0.0023474 k( 383) = ( 0.0000000 0.5000000 0.4324324), wk = 0.0023474 k( 384) = ( 0.0000000 0.5000000 0.4459459), wk = 0.0023474 k( 385) = ( 0.0000000 0.5000000 0.4594595), wk = 0.0023474 k( 386) = ( 0.0000000 0.5000000 0.4729730), wk = 0.0023474 k( 387) = ( 0.0000000 0.5000000 0.4864865), wk = 0.0023474 k( 388) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023474 k( 389) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0023474 k( 390) = ( 0.5000000 0.5000000 0.0135135), wk = 0.0023474 k( 391) = ( 0.5000000 0.5000000 0.0270270), wk = 0.0023474 k( 392) = ( 0.5000000 0.5000000 0.0405405), wk = 0.0023474 k( 393) = ( 0.5000000 0.5000000 0.0540540), wk = 0.0023474 k( 394) = ( 0.5000000 0.5000000 0.0675676), wk = 0.0023474 k( 395) = ( 0.5000000 0.5000000 0.0810811), wk = 0.0023474 k( 396) = ( 0.5000000 0.5000000 0.0945946), wk = 0.0023474 k( 397) = ( 0.5000000 0.5000000 0.1081081), wk = 0.0023474 k( 398) = ( 0.5000000 0.5000000 0.1216216), wk = 0.0023474 k( 399) = ( 0.5000000 0.5000000 0.1351351), wk = 0.0023474 k( 400) = ( 0.5000000 0.5000000 0.1486486), wk = 0.0023474 k( 401) = ( 0.5000000 0.5000000 0.1621622), wk = 0.0023474 k( 402) = ( 0.5000000 0.5000000 0.1756757), wk = 0.0023474 k( 403) = ( 0.5000000 0.5000000 0.1891892), wk = 0.0023474 k( 404) = ( 0.5000000 0.5000000 0.2027027), wk = 0.0023474 k( 405) = ( 0.5000000 0.5000000 0.2162162), wk = 0.0023474 k( 406) = ( 0.5000000 0.5000000 0.2297297), wk = 0.0023474 k( 407) = ( 0.5000000 0.5000000 0.2432432), wk = 0.0023474 k( 408) = ( 0.5000000 0.5000000 0.2567568), wk = 0.0023474 k( 409) = ( 0.5000000 0.5000000 0.2702703), wk = 0.0023474 k( 410) = ( 0.5000000 0.5000000 0.2837838), wk = 0.0023474 k( 411) = ( 0.5000000 0.5000000 0.2972973), wk = 0.0023474 k( 412) = ( 0.5000000 0.5000000 0.3108108), wk = 0.0023474 k( 413) = ( 0.5000000 0.5000000 0.3243243), wk = 0.0023474 k( 414) = ( 0.5000000 0.5000000 0.3378378), wk = 0.0023474 k( 415) = ( 0.5000000 0.5000000 0.3513513), wk = 0.0023474 k( 416) = ( 0.5000000 0.5000000 0.3648649), wk = 0.0023474 k( 417) = ( 0.5000000 0.5000000 0.3783784), wk = 0.0023474 k( 418) = ( 0.5000000 0.5000000 0.3918919), wk = 0.0023474 k( 419) = ( 0.5000000 0.5000000 0.4054054), wk = 0.0023474 k( 420) = ( 0.5000000 0.5000000 0.4189189), wk = 0.0023474 k( 421) = ( 0.5000000 0.5000000 0.4324324), wk = 0.0023474 k( 422) = ( 0.5000000 0.5000000 0.4459459), wk = 0.0023474 k( 423) = ( 0.5000000 0.5000000 0.4594595), wk = 0.0023474 k( 424) = ( 0.5000000 0.5000000 0.4729730), wk = 0.0023474 k( 425) = ( 0.5000000 0.5000000 0.4864865), wk = 0.0023474 k( 426) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023474 Dense grid: 51997 G-vectors FFT dimensions: ( 45, 45, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 364, 28) NL pseudopotentials 0.17 Mb ( 182, 60) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1445) G-vector shells 0.01 Mb ( 680) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.62 Mb ( 364, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.05 Mb ( 60, 2, 28) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./LiHO.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.0 secs Computing kpt #: 7 total cpu time spent up to now is 5.4 secs Computing kpt #: 8 total cpu time spent up to now is 5.8 secs Computing kpt #: 9 total cpu time spent up to now is 6.1 secs Computing kpt #: 10 total cpu time spent up to now is 6.5 secs Computing kpt #: 11 total cpu time spent up to now is 6.9 secs Computing kpt #: 12 total cpu time spent up to now is 7.2 secs Computing kpt #: 13 total cpu time spent up to now is 7.6 secs Computing kpt #: 14 total cpu time spent up to now is 8.0 secs Computing kpt #: 15 total cpu time spent up to now is 8.4 secs Computing kpt #: 16 total cpu time spent up to now is 8.8 secs Computing kpt #: 17 total cpu time spent up to now is 9.2 secs Computing kpt #: 18 total cpu time spent up to now is 9.6 secs Computing kpt #: 19 total cpu time spent up to now is 10.1 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 10.9 secs Computing kpt #: 21 total cpu time spent up to now is 11.3 secs Computing kpt #: 22 total cpu time spent up to now is 11.7 secs Computing kpt #: 23 total cpu time spent up to now is 12.0 secs Computing kpt #: 24 total cpu time spent up to now is 12.3 secs Computing kpt #: 25 total cpu time spent up to now is 12.6 secs Computing kpt #: 26 total cpu time spent up to now is 12.9 secs Computing kpt #: 27 total cpu time spent up to now is 13.2 secs Computing kpt #: 28 total cpu time spent up to now is 13.5 secs Computing kpt #: 29 total cpu time spent up to now is 13.8 secs Computing kpt #: 30 total cpu time spent up to now is 14.0 secs Computing kpt #: 31 total cpu time spent up to now is 14.3 secs Computing kpt #: 32 total cpu time spent up to now is 14.5 secs Computing kpt #: 33 total cpu time spent up to now is 14.8 secs Computing kpt #: 34 total cpu time spent up to now is 15.0 secs Computing kpt #: 35 total cpu time spent up to now is 15.2 secs Computing kpt #: 36 total cpu time spent up to now is 15.5 secs Computing kpt #: 37 total cpu time spent up to now is 15.7 secs Computing kpt #: 38 total cpu time spent up to now is 15.9 secs Computing kpt #: 39 total cpu time spent up to now is 16.1 secs Computing kpt #: 40 total cpu time spent up to now is 16.4 secs Computing kpt #: 41 total cpu time spent up to now is 16.6 secs Computing kpt #: 42 total cpu time spent up to now is 16.8 secs Computing kpt #: 43 total cpu time spent up to now is 17.0 secs Computing kpt #: 44 total cpu time spent up to now is 17.2 secs Computing kpt #: 45 total cpu time spent up to now is 17.5 secs Computing kpt #: 46 total cpu time spent up to now is 17.7 secs Computing kpt #: 47 total cpu time spent up to now is 17.9 secs Computing kpt #: 48 total cpu time spent up to now is 18.1 secs Computing kpt #: 49 total cpu time spent up to now is 18.3 secs Computing kpt #: 50 total cpu time spent up to now is 18.6 secs Computing kpt #: 51 total cpu time spent up to now is 18.8 secs Computing kpt #: 52 total cpu time spent up to now is 19.0 secs Computing kpt #: 53 total cpu time spent up to now is 19.2 secs Computing kpt #: 54 total cpu time spent up to now is 19.5 secs Computing kpt #: 55 total cpu time spent up to now is 19.7 secs Computing kpt #: 56 total cpu time spent up to now is 19.9 secs Computing kpt #: 57 total cpu time spent up to now is 20.1 secs Computing kpt #: 58 total cpu time spent up to now is 20.4 secs Computing kpt #: 59 total cpu time spent up to now is 20.6 secs Computing kpt #: 60 total cpu time spent up to now is 20.8 secs Computing kpt #: 61 total cpu time spent up to now is 21.1 secs Computing kpt #: 62 total cpu time spent up to now is 21.3 secs Computing kpt #: 63 total cpu time spent up to now is 21.5 secs Computing kpt #: 64 total cpu time spent up to now is 21.8 secs Computing kpt #: 65 total cpu time spent up to now is 22.0 secs Computing kpt #: 66 total cpu time spent up to now is 22.2 secs Computing kpt #: 67 total cpu time spent up to now is 22.5 secs Computing kpt #: 68 total cpu time spent up to now is 22.7 secs Computing kpt #: 69 total cpu time spent up to now is 23.0 secs Computing kpt #: 70 total cpu time spent up to now is 23.2 secs Computing kpt #: 71 total cpu time spent up to now is 23.4 secs Computing kpt #: 72 total cpu time spent up to now is 23.7 secs Computing kpt #: 73 total cpu time spent up to now is 23.9 secs Computing kpt #: 74 total cpu time spent up to now is 24.1 secs Computing kpt #: 75 total cpu time spent up to now is 24.4 secs Computing kpt #: 76 total cpu time spent up to now is 24.6 secs Computing kpt #: 77 total cpu time spent up to now is 24.8 secs Computing kpt #: 78 total cpu time spent up to now is 25.1 secs Computing kpt #: 79 total cpu time spent up to now is 25.3 secs Computing kpt #: 80 total cpu time spent up to now is 25.5 secs Computing kpt #: 81 total cpu time spent up to now is 25.7 secs Computing kpt #: 82 total cpu time spent up to now is 25.9 secs Computing kpt #: 83 total cpu time spent up to now is 26.2 secs Computing kpt #: 84 total cpu time spent up to now is 26.4 secs Computing kpt #: 85 total cpu time spent up to now is 26.6 secs Computing kpt #: 86 total cpu time spent up to now is 26.8 secs Computing kpt #: 87 total cpu time spent up to now is 27.0 secs Computing kpt #: 88 total cpu time spent up to now is 27.2 secs Computing kpt #: 89 total cpu time spent up to now is 27.4 secs Computing kpt #: 90 total cpu time spent up to now is 27.6 secs Computing kpt #: 91 total cpu time spent up to now is 27.9 secs Computing kpt #: 92 total cpu time spent up to now is 28.1 secs Computing kpt #: 93 total cpu time spent up to now is 28.3 secs Computing kpt #: 94 total cpu time spent up to now is 28.5 secs Computing kpt #: 95 total cpu time spent up to now is 28.7 secs Computing kpt #: 96 total cpu time spent up to now is 28.9 secs Computing kpt #: 97 total cpu time spent up to now is 29.1 secs Computing kpt #: 98 total cpu time spent up to now is 29.3 secs Computing kpt #: 99 total cpu time spent up to now is 29.6 secs Computing kpt #: 100 total cpu time spent up to now is 29.8 secs Computing kpt #: 101 total cpu time spent up to now is 30.0 secs Computing kpt #: 102 total cpu time spent up to now is 30.2 secs Computing kpt #: 103 total cpu time spent up to now is 30.4 secs Computing kpt #: 104 total cpu time spent up to now is 30.6 secs Computing kpt #: 105 total cpu time spent up to now is 30.9 secs Computing kpt #: 106 total cpu time spent up to now is 31.1 secs Computing kpt #: 107 total cpu time spent up to now is 31.3 secs Computing kpt #: 108 total cpu time spent up to now is 31.5 secs Computing kpt #: 109 total cpu time spent up to now is 31.8 secs Computing kpt #: 110 total cpu time spent up to now is 32.0 secs Computing kpt #: 111 total cpu time spent up to now is 32.2 secs Computing kpt #: 112 total cpu time spent up to now is 32.4 secs Computing kpt #: 113 total cpu time spent up to now is 32.7 secs Computing kpt #: 114 total cpu time spent up to now is 32.9 secs Computing kpt #: 115 total cpu time spent up to now is 33.2 secs Computing kpt #: 116 total cpu time spent up to now is 33.4 secs Computing kpt #: 117 total cpu time spent up to now is 33.7 secs Computing kpt #: 118 total cpu time spent up to now is 33.9 secs Computing kpt #: 119 total cpu time spent up to now is 34.2 secs Computing kpt #: 120 total cpu time spent up to now is 34.5 secs Computing kpt #: 121 total cpu time spent up to now is 34.8 secs Computing kpt #: 122 total cpu time spent up to now is 35.0 secs Computing kpt #: 123 total cpu time spent up to now is 35.3 secs Computing kpt #: 124 total cpu time spent up to now is 35.5 secs Computing kpt #: 125 total cpu time spent up to now is 35.7 secs Computing kpt #: 126 total cpu time spent up to now is 35.9 secs Computing kpt #: 127 total cpu time spent up to now is 36.2 secs Computing kpt #: 128 total cpu time spent up to now is 36.4 secs Computing kpt #: 129 total cpu time spent up to now is 36.6 secs Computing kpt #: 130 total cpu time spent up to now is 36.8 secs Computing kpt #: 131 total cpu time spent up to now is 37.1 secs Computing kpt #: 132 total cpu time spent up to now is 37.3 secs Computing kpt #: 133 total cpu time spent up to now is 37.5 secs Computing kpt #: 134 total cpu time spent up to now is 37.8 secs Computing kpt #: 135 total cpu time spent up to now is 38.0 secs Computing kpt #: 136 total cpu time spent up to now is 38.3 secs Computing kpt #: 137 total cpu time spent up to now is 38.6 secs Computing kpt #: 138 total cpu time spent up to now is 38.9 secs Computing kpt #: 139 total cpu time spent up to now is 39.1 secs Computing kpt #: 140 total cpu time spent up to now is 39.4 secs Computing kpt #: 141 total cpu time spent up to now is 39.7 secs Computing kpt #: 142 total cpu time spent up to now is 40.0 secs Computing kpt #: 143 total cpu time spent up to now is 40.3 secs Computing kpt #: 144 total cpu time spent up to now is 40.5 secs Computing kpt #: 145 total cpu time spent up to now is 40.8 secs Computing kpt #: 146 total cpu time spent up to now is 41.1 secs Computing kpt #: 147 total cpu time spent up to now is 41.4 secs Computing kpt #: 148 total cpu time spent up to now is 41.7 secs Computing kpt #: 149 total cpu time spent up to now is 42.0 secs Computing kpt #: 150 total cpu time spent up to now is 42.4 secs Computing kpt #: 151 total cpu time spent up to now is 42.8 secs Computing kpt #: 152 total cpu time spent up to now is 43.3 secs Computing kpt #: 153 total cpu time spent up to now is 43.8 secs Computing kpt #: 154 total cpu time spent up to now is 44.4 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 45.2 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 46.0 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 46.8 secs Computing kpt #: 158 total cpu time spent up to now is 47.2 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 48.0 secs Computing kpt #: 160 total cpu time spent up to now is 48.6 secs Computing kpt #: 161 total cpu time spent up to now is 49.1 secs Computing kpt #: 162 total cpu time spent up to now is 49.5 secs Computing kpt #: 163 total cpu time spent up to now is 49.8 secs Computing kpt #: 164 total cpu time spent up to now is 50.1 secs Computing kpt #: 165 total cpu time spent up to now is 50.4 secs Computing kpt #: 166 total cpu time spent up to now is 50.6 secs Computing kpt #: 167 total cpu time spent up to now is 50.9 secs Computing kpt #: 168 total cpu time spent up to now is 51.2 secs Computing kpt #: 169 total cpu time spent up to now is 51.4 secs Computing kpt #: 170 total cpu time spent up to now is 51.7 secs Computing kpt #: 171 total cpu time spent up to now is 51.9 secs Computing kpt #: 172 total cpu time spent up to now is 52.1 secs Computing kpt #: 173 total cpu time spent up to now is 52.4 secs Computing kpt #: 174 total cpu time spent up to now is 52.6 secs Computing kpt #: 175 total cpu time spent up to now is 52.9 secs Computing kpt #: 176 total cpu time spent up to now is 53.1 secs Computing kpt #: 177 total cpu time spent up to now is 53.3 secs Computing kpt #: 178 total cpu time spent up to now is 53.5 secs Computing kpt #: 179 total cpu time spent up to now is 53.8 secs Computing kpt #: 180 total cpu time spent up to now is 54.0 secs Computing kpt #: 181 total cpu time spent up to now is 54.2 secs Computing kpt #: 182 total cpu time spent up to now is 54.5 secs Computing kpt #: 183 total cpu time spent up to now is 54.7 secs Computing kpt #: 184 total cpu time spent up to now is 54.9 secs Computing kpt #: 185 total cpu time spent up to now is 55.2 secs Computing kpt #: 186 total cpu time spent up to now is 55.4 secs Computing kpt #: 187 total cpu time spent up to now is 55.6 secs Computing kpt #: 188 total cpu time spent up to now is 55.8 secs Computing kpt #: 189 total cpu time spent up to now is 56.1 secs Computing kpt #: 190 total cpu time spent up to now is 56.3 secs Computing kpt #: 191 total cpu time spent up to now is 56.6 secs Computing kpt #: 192 total cpu time spent up to now is 56.8 secs Computing kpt #: 193 total cpu time spent up to now is 57.1 secs Computing kpt #: 194 total cpu time spent up to now is 57.3 secs Computing kpt #: 195 total cpu time spent up to now is 57.6 secs Computing kpt #: 196 total cpu time spent up to now is 57.8 secs Computing kpt #: 197 total cpu time spent up to now is 58.1 secs Computing kpt #: 198 total cpu time spent up to now is 58.4 secs Computing kpt #: 199 total cpu time spent up to now is 58.6 secs Computing kpt #: 200 total cpu time spent up to now is 58.9 secs Computing kpt #: 201 total cpu time spent up to now is 59.2 secs Computing kpt #: 202 total cpu time spent up to now is 59.4 secs Computing kpt #: 203 total cpu time spent up to now is 59.7 secs Computing kpt #: 204 total cpu time spent up to now is 60.0 secs Computing kpt #: 205 total cpu time spent up to now is 60.2 secs Computing kpt #: 206 total cpu time spent up to now is 60.4 secs Computing kpt #: 207 total cpu time spent up to now is 60.7 secs Computing kpt #: 208 total cpu time spent up to now is 60.9 secs Computing kpt #: 209 total cpu time spent up to now is 61.2 secs Computing kpt #: 210 total cpu time spent up to now is 61.4 secs Computing kpt #: 211 total cpu time spent up to now is 61.7 secs Computing kpt #: 212 total cpu time spent up to now is 61.9 secs Computing kpt #: 213 total cpu time spent up to now is 62.1 secs Computing kpt #: 214 total cpu time spent up to now is 62.4 secs Computing kpt #: 215 total cpu time spent up to now is 62.6 secs Computing kpt #: 216 total cpu time spent up to now is 62.9 secs Computing kpt #: 217 total cpu time spent up to now is 63.1 secs Computing kpt #: 218 total cpu time spent up to now is 63.3 secs Computing kpt #: 219 total cpu time spent up to now is 63.6 secs Computing kpt #: 220 total cpu time spent up to now is 63.8 secs Computing kpt #: 221 total cpu time spent up to now is 64.1 secs Computing kpt #: 222 total cpu time spent up to now is 64.3 secs Computing kpt #: 223 total cpu time spent up to now is 64.6 secs Computing kpt #: 224 total cpu time spent up to now is 64.9 secs Computing kpt #: 225 total cpu time spent up to now is 65.1 secs Computing kpt #: 226 total cpu time spent up to now is 65.4 secs Computing kpt #: 227 total cpu time spent up to now is 65.6 secs Computing kpt #: 228 total cpu time spent up to now is 65.8 secs Computing kpt #: 229 total cpu time spent up to now is 66.1 secs Computing kpt #: 230 total cpu time spent up to now is 66.3 secs Computing kpt #: 231 total cpu time spent up to now is 66.6 secs Computing kpt #: 232 total cpu time spent up to now is 66.8 secs Computing kpt #: 233 total cpu time spent up to now is 67.0 secs Computing kpt #: 234 total cpu time spent up to now is 67.2 secs Computing kpt #: 235 total cpu time spent up to now is 67.5 secs Computing kpt #: 236 total cpu time spent up to now is 67.7 secs Computing kpt #: 237 total cpu time spent up to now is 67.9 secs Computing kpt #: 238 total cpu time spent up to now is 68.1 secs Computing kpt #: 239 total cpu time spent up to now is 68.3 secs Computing kpt #: 240 total cpu time spent up to now is 68.5 secs Computing kpt #: 241 total cpu time spent up to now is 68.8 secs Computing kpt #: 242 total cpu time spent up to now is 69.0 secs Computing kpt #: 243 total cpu time spent up to now is 69.2 secs Computing kpt #: 244 total cpu time spent up to now is 69.4 secs Computing kpt #: 245 total cpu time spent up to now is 69.6 secs Computing kpt #: 246 total cpu time spent up to now is 69.9 secs Computing kpt #: 247 total cpu time spent up to now is 70.1 secs Computing kpt #: 248 total cpu time spent up to now is 70.3 secs Computing kpt #: 249 total cpu time spent up to now is 70.6 secs Computing kpt #: 250 total cpu time spent up to now is 70.8 secs Computing kpt #: 251 total cpu time spent up to now is 71.0 secs Computing kpt #: 252 total cpu time spent up to now is 71.2 secs Computing kpt #: 253 total cpu time spent up to now is 71.5 secs Computing kpt #: 254 total cpu time spent up to now is 71.7 secs Computing kpt #: 255 total cpu time spent up to now is 71.9 secs Computing kpt #: 256 total cpu time spent up to now is 72.2 secs Computing kpt #: 257 total cpu time spent up to now is 72.4 secs Computing kpt #: 258 total cpu time spent up to now is 72.6 secs Computing kpt #: 259 total cpu time spent up to now is 72.9 secs Computing kpt #: 260 total cpu time spent up to now is 73.1 secs Computing kpt #: 261 total cpu time spent up to now is 73.3 secs Computing kpt #: 262 total cpu time spent up to now is 73.5 secs Computing kpt #: 263 total cpu time spent up to now is 73.8 secs Computing kpt #: 264 total cpu time spent up to now is 74.0 secs Computing kpt #: 265 total cpu time spent up to now is 74.2 secs Computing kpt #: 266 total cpu time spent up to now is 74.5 secs Computing kpt #: 267 total cpu time spent up to now is 74.7 secs Computing kpt #: 268 total cpu time spent up to now is 74.9 secs Computing kpt #: 269 total cpu time spent up to now is 75.2 secs Computing kpt #: 270 total cpu time spent up to now is 75.4 secs Computing kpt #: 271 total cpu time spent up to now is 75.6 secs Computing kpt #: 272 total cpu time spent up to now is 75.9 secs Computing kpt #: 273 total cpu time spent up to now is 76.1 secs Computing kpt #: 274 total cpu time spent up to now is 76.3 secs Computing kpt #: 275 total cpu time spent up to now is 76.6 secs Computing kpt #: 276 total cpu time spent up to now is 76.8 secs Computing kpt #: 277 total cpu time spent up to now is 77.1 secs Computing kpt #: 278 total cpu time spent up to now is 77.3 secs Computing kpt #: 279 total cpu time spent up to now is 77.6 secs Computing kpt #: 280 total cpu time spent up to now is 77.8 secs Computing kpt #: 281 total cpu time spent up to now is 78.0 secs Computing kpt #: 282 total cpu time spent up to now is 78.3 secs Computing kpt #: 283 total cpu time spent up to now is 78.5 secs Computing kpt #: 284 total cpu time spent up to now is 78.8 secs Computing kpt #: 285 total cpu time spent up to now is 79.0 secs Computing kpt #: 286 total cpu time spent up to now is 79.2 secs Computing kpt #: 287 total cpu time spent up to now is 79.5 secs Computing kpt #: 288 total cpu time spent up to now is 79.7 secs Computing kpt #: 289 total cpu time spent up to now is 80.0 secs Computing kpt #: 290 total cpu time spent up to now is 80.2 secs Computing kpt #: 291 total cpu time spent up to now is 80.5 secs Computing kpt #: 292 total cpu time spent up to now is 80.7 secs Computing kpt #: 293 total cpu time spent up to now is 81.0 secs Computing kpt #: 294 total cpu time spent up to now is 81.2 secs Computing kpt #: 295 total cpu time spent up to now is 81.5 secs Computing kpt #: 296 total cpu time spent up to now is 81.7 secs Computing kpt #: 297 total cpu time spent up to now is 82.0 secs Computing kpt #: 298 total cpu time spent up to now is 82.2 secs Computing kpt #: 299 total cpu time spent up to now is 82.5 secs Computing kpt #: 300 total cpu time spent up to now is 82.7 secs Computing kpt #: 301 total cpu time spent up to now is 83.0 secs Computing kpt #: 302 total cpu time spent up to now is 83.3 secs Computing kpt #: 303 total cpu time spent up to now is 83.5 secs Computing kpt #: 304 total cpu time spent up to now is 83.8 secs Computing kpt #: 305 total cpu time spent up to now is 84.0 secs Computing kpt #: 306 total cpu time spent up to now is 84.3 secs Computing kpt #: 307 total cpu time spent up to now is 84.5 secs Computing kpt #: 308 total cpu time spent up to now is 84.8 secs Computing kpt #: 309 total cpu time spent up to now is 85.0 secs Computing kpt #: 310 total cpu time spent up to now is 85.3 secs Computing kpt #: 311 total cpu time spent up to now is 85.5 secs Computing kpt #: 312 total cpu time spent up to now is 85.8 secs Computing kpt #: 313 total cpu time spent up to now is 86.0 secs Computing kpt #: 314 total cpu time spent up to now is 86.3 secs Computing kpt #: 315 total cpu time spent up to now is 86.5 secs Computing kpt #: 316 total cpu time spent up to now is 86.8 secs Computing kpt #: 317 total cpu time spent up to now is 87.1 secs Computing kpt #: 318 total cpu time spent up to now is 87.3 secs Computing kpt #: 319 total cpu time spent up to now is 87.6 secs Computing kpt #: 320 total cpu time spent up to now is 87.8 secs Computing kpt #: 321 total cpu time spent up to now is 88.1 secs Computing kpt #: 322 total cpu time spent up to now is 88.4 secs Computing kpt #: 323 total cpu time spent up to now is 88.7 secs Computing kpt #: 324 total cpu time spent up to now is 89.0 secs Computing kpt #: 325 total cpu time spent up to now is 89.3 secs Computing kpt #: 326 total cpu time spent up to now is 89.6 secs Computing kpt #: 327 total cpu time spent up to now is 89.9 secs Computing kpt #: 328 total cpu time spent up to now is 90.2 secs Computing kpt #: 329 total cpu time spent up to now is 90.5 secs Computing kpt #: 330 total cpu time spent up to now is 90.8 secs Computing kpt #: 331 total cpu time spent up to now is 91.1 secs Computing kpt #: 332 total cpu time spent up to now is 91.4 secs Computing kpt #: 333 total cpu time spent up to now is 91.6 secs Computing kpt #: 334 total cpu time spent up to now is 91.9 secs Computing kpt #: 335 total cpu time spent up to now is 92.2 secs Computing kpt #: 336 total cpu time spent up to now is 92.5 secs Computing kpt #: 337 total cpu time spent up to now is 92.7 secs Computing kpt #: 338 total cpu time spent up to now is 93.0 secs Computing kpt #: 339 total cpu time spent up to now is 93.3 secs Computing kpt #: 340 total cpu time spent up to now is 93.6 secs Computing kpt #: 341 total cpu time spent up to now is 93.8 secs Computing kpt #: 342 total cpu time spent up to now is 94.1 secs Computing kpt #: 343 total cpu time spent up to now is 94.4 secs Computing kpt #: 344 total cpu time spent up to now is 94.7 secs Computing kpt #: 345 total cpu time spent up to now is 94.9 secs Computing kpt #: 346 total cpu time spent up to now is 95.2 secs Computing kpt #: 347 total cpu time spent up to now is 95.5 secs Computing kpt #: 348 total cpu time spent up to now is 95.8 secs Computing kpt #: 349 total cpu time spent up to now is 96.0 secs Computing kpt #: 350 total cpu time spent up to now is 96.2 secs Computing kpt #: 351 total cpu time spent up to now is 96.5 secs Computing kpt #: 352 total cpu time spent up to now is 96.7 secs Computing kpt #: 353 total cpu time spent up to now is 96.9 secs Computing kpt #: 354 total cpu time spent up to now is 97.1 secs Computing kpt #: 355 total cpu time spent up to now is 97.3 secs Computing kpt #: 356 total cpu time spent up to now is 97.6 secs Computing kpt #: 357 total cpu time spent up to now is 97.8 secs Computing kpt #: 358 total cpu time spent up to now is 98.0 secs Computing kpt #: 359 total cpu time spent up to now is 98.2 secs Computing kpt #: 360 total cpu time spent up to now is 98.4 secs Computing kpt #: 361 total cpu time spent up to now is 98.7 secs Computing kpt #: 362 total cpu time spent up to now is 98.9 secs Computing kpt #: 363 total cpu time spent up to now is 99.1 secs Computing kpt #: 364 total cpu time spent up to now is 99.3 secs Computing kpt #: 365 total cpu time spent up to now is 99.6 secs Computing kpt #: 366 total cpu time spent up to now is 99.8 secs Computing kpt #: 367 total cpu time spent up to now is 100.0 secs Computing kpt #: 368 total cpu time spent up to now is 100.2 secs Computing kpt #: 369 total cpu time spent up to now is 100.4 secs Computing kpt #: 370 total cpu time spent up to now is 100.7 secs Computing kpt #: 371 total cpu time spent up to now is 100.9 secs Computing kpt #: 372 total cpu time spent up to now is 101.1 secs Computing kpt #: 373 total cpu time spent up to now is 101.3 secs Computing kpt #: 374 total cpu time spent up to now is 101.6 secs Computing kpt #: 375 total cpu time spent up to now is 101.8 secs Computing kpt #: 376 total cpu time spent up to now is 102.0 secs Computing kpt #: 377 total cpu time spent up to now is 102.2 secs Computing kpt #: 378 total cpu time spent up to now is 102.4 secs Computing kpt #: 379 total cpu time spent up to now is 102.7 secs Computing kpt #: 380 total cpu time spent up to now is 102.9 secs Computing kpt #: 381 total cpu time spent up to now is 103.1 secs Computing kpt #: 382 total cpu time spent up to now is 103.4 secs Computing kpt #: 383 total cpu time spent up to now is 103.6 secs Computing kpt #: 384 total cpu time spent up to now is 103.8 secs Computing kpt #: 385 total cpu time spent up to now is 104.0 secs Computing kpt #: 386 total cpu time spent up to now is 104.3 secs Computing kpt #: 387 total cpu time spent up to now is 104.5 secs Computing kpt #: 388 total cpu time spent up to now is 104.7 secs Computing kpt #: 389 total cpu time spent up to now is 104.9 secs Computing kpt #: 390 total cpu time spent up to now is 105.1 secs Computing kpt #: 391 total cpu time spent up to now is 105.3 secs Computing kpt #: 392 total cpu time spent up to now is 105.5 secs Computing kpt #: 393 total cpu time spent up to now is 105.7 secs Computing kpt #: 394 total cpu time spent up to now is 106.0 secs Computing kpt #: 395 total cpu time spent up to now is 106.2 secs Computing kpt #: 396 total cpu time spent up to now is 106.4 secs Computing kpt #: 397 total cpu time spent up to now is 106.6 secs Computing kpt #: 398 total cpu time spent up to now is 106.8 secs Computing kpt #: 399 total cpu time spent up to now is 107.0 secs Computing kpt #: 400 total cpu time spent up to now is 107.3 secs Computing kpt #: 401 total cpu time spent up to now is 107.5 secs Computing kpt #: 402 total cpu time spent up to now is 107.7 secs Computing kpt #: 403 total cpu time spent up to now is 107.9 secs Computing kpt #: 404 total cpu time spent up to now is 108.1 secs Computing kpt #: 405 total cpu time spent up to now is 108.4 secs Computing kpt #: 406 total cpu time spent up to now is 108.6 secs Computing kpt #: 407 total cpu time spent up to now is 108.8 secs Computing kpt #: 408 total cpu time spent up to now is 109.0 secs Computing kpt #: 409 total cpu time spent up to now is 109.3 secs Computing kpt #: 410 total cpu time spent up to now is 109.5 secs Computing kpt #: 411 total cpu time spent up to now is 109.7 secs Computing kpt #: 412 total cpu time spent up to now is 109.9 secs Computing kpt #: 413 total cpu time spent up to now is 110.2 secs Computing kpt #: 414 total cpu time spent up to now is 110.4 secs Computing kpt #: 415 total cpu time spent up to now is 110.6 secs Computing kpt #: 416 total cpu time spent up to now is 110.9 secs Computing kpt #: 417 total cpu time spent up to now is 111.1 secs Computing kpt #: 418 total cpu time spent up to now is 111.3 secs Computing kpt #: 419 total cpu time spent up to now is 111.6 secs Computing kpt #: 420 total cpu time spent up to now is 111.8 secs Computing kpt #: 421 total cpu time spent up to now is 112.1 secs Computing kpt #: 422 total cpu time spent up to now is 112.3 secs Computing kpt #: 423 total cpu time spent up to now is 112.6 secs Computing kpt #: 424 total cpu time spent up to now is 112.8 secs Computing kpt #: 425 total cpu time spent up to now is 113.1 secs Computing kpt #: 426 total cpu time spent up to now is 113.3 secs ethr = 5.00E-08, avg # of iterations = 20.6 total cpu time spent up to now is 113.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6519 PWs) bands (ev): -42.0719 -42.0719 -41.9583 -41.9583 -17.5490 -17.5490 -17.1364 -17.1364 -5.0061 -5.0061 -3.8316 -3.8316 -1.5489 -1.5489 -1.5311 -1.5311 -0.1393 -0.1393 -0.1168 -0.1168 4.1621 4.1621 6.7473 6.7473 13.0955 13.0955 14.5014 14.5020 k = 0.0000 0.0111-0.0000 ( 6515 PWs) bands (ev): -42.0719 -42.0719 -41.9583 -41.9583 -17.5489 -17.5489 -17.1365 -17.1365 -5.0059 -5.0059 -3.8323 -3.8323 -1.5488 -1.5488 -1.5309 -1.5309 -0.1403 -0.1403 -0.1177 -0.1177 4.1644 4.1644 6.7492 6.7492 13.0903 13.0903 14.4986 14.4987 k = 0.0000 0.0222-0.0000 ( 6497 PWs) bands (ev): -42.0718 -42.0718 -41.9584 -41.9584 -17.5485 -17.5485 -17.1368 -17.1368 -5.0052 -5.0052 -3.8341 -3.8341 -1.5483 -1.5483 -1.5303 -1.5303 -0.1433 -0.1433 -0.1203 -0.1203 4.1713 4.1713 6.7549 6.7549 13.0748 13.0748 14.4866 14.4867 k = 0.0000 0.0333-0.0000 ( 6489 PWs) bands (ev): -42.0715 -42.0715 -41.9586 -41.9586 -17.5478 -17.5478 -17.1374 -17.1374 -5.0040 -5.0040 -3.8373 -3.8373 -1.5478 -1.5478 -1.5290 -1.5290 -0.1490 -0.1490 -0.1239 -0.1239 4.1827 4.1827 6.7644 6.7644 13.0490 13.0490 14.4648 14.4648 k = 0.0000 0.0444-0.0000 ( 6489 PWs) bands (ev): -42.0713 -42.0713 -41.9588 -41.9588 -17.5468 -17.5468 -17.1381 -17.1381 -5.0024 -5.0024 -3.8417 -3.8417 -1.5475 -1.5475 -1.5268 -1.5268 -0.1579 -0.1579 -0.1280 -0.1280 4.1985 4.1985 6.7776 6.7776 13.0129 13.0129 14.4347 14.4348 k = 0.0000 0.0556-0.0000 ( 6497 PWs) bands (ev): -42.0709 -42.0709 -41.9591 -41.9591 -17.5456 -17.5456 -17.1391 -17.1391 -5.0003 -5.0003 -3.8473 -3.8473 -1.5475 -1.5475 -1.5235 -1.5235 -0.1702 -0.1702 -0.1323 -0.1323 4.2188 4.2188 6.7944 6.7944 12.9665 12.9665 14.3985 14.3985 k = 0.0000 0.0667-0.0000 ( 6491 PWs) bands (ev): -42.0705 -42.0705 -41.9595 -41.9595 -17.5441 -17.5441 -17.1403 -17.1403 -4.9977 -4.9977 -3.8540 -3.8540 -1.5481 -1.5481 -1.5190 -1.5190 -0.1857 -0.1857 -0.1368 -0.1368 4.2434 4.2434 6.8149 6.8149 12.9101 12.9101 14.3581 14.3581 k = 0.0000 0.0778-0.0000 ( 6501 PWs) bands (ev): -42.0701 -42.0701 -41.9599 -41.9599 -17.5423 -17.5423 -17.1417 -17.1417 -4.9947 -4.9947 -3.8620 -3.8620 -1.5492 -1.5492 -1.5132 -1.5132 -0.2042 -0.2042 -0.1416 -0.1416 4.2721 4.2721 6.8389 6.8389 12.8439 12.8439 14.3159 14.3159 k = 0.0000 0.0889-0.0000 ( 6495 PWs) bands (ev): -42.0695 -42.0695 -41.9604 -41.9604 -17.5402 -17.5402 -17.1433 -17.1433 -4.9912 -4.9912 -3.8710 -3.8710 -1.5507 -1.5507 -1.5063 -1.5063 -0.2255 -0.2255 -0.1468 -0.1468 4.3049 4.3049 6.8663 6.8663 12.7685 12.7685 14.2739 14.2739 k = 0.0000 0.1000-0.0000 ( 6487 PWs) bands (ev): -42.0689 -42.0689 -41.9609 -41.9609 -17.5379 -17.5379 -17.1451 -17.1451 -4.9873 -4.9873 -3.8811 -3.8811 -1.5526 -1.5526 -1.4983 -1.4983 -0.2493 -0.2493 -0.1525 -0.1525 4.3417 4.3417 6.8970 6.8970 12.6846 12.6846 14.2339 14.2339 k = 0.0000 0.1111-0.0000 ( 6475 PWs) bands (ev): -42.0682 -42.0682 -41.9615 -41.9615 -17.5353 -17.5353 -17.1472 -17.1472 -4.9828 -4.9828 -3.8923 -3.8923 -1.5547 -1.5547 -1.4892 -1.4892 -0.2754 -0.2754 -0.1588 -0.1588 4.3822 4.3822 6.9309 6.9309 12.5931 12.5931 14.1968 14.1968 k = 0.0000 0.1222-0.0000 ( 6475 PWs) bands (ev): -42.0674 -42.0674 -41.9621 -41.9621 -17.5325 -17.5325 -17.1494 -17.1494 -4.9780 -4.9780 -3.9045 -3.9045 -1.5571 -1.5571 -1.4792 -1.4792 -0.3037 -0.3037 -0.1657 -0.1657 4.4264 4.4264 6.9677 6.9677 12.4950 12.4950 14.1636 14.1636 k = 0.0000 0.1333-0.0000 ( 6479 PWs) bands (ev): -42.0666 -42.0666 -41.9628 -41.9628 -17.5294 -17.5294 -17.1519 -17.1519 -4.9726 -4.9726 -3.9176 -3.9176 -1.5596 -1.5596 -1.4682 -1.4682 -0.3338 -0.3338 -0.1732 -0.1732 4.4741 4.4741 7.0075 7.0075 12.3912 12.3912 14.1346 14.1346 k = 0.0000 0.1444-0.0000 ( 6481 PWs) bands (ev): -42.0657 -42.0657 -41.9636 -41.9636 -17.5261 -17.5261 -17.1546 -17.1546 -4.9668 -4.9668 -3.9315 -3.9315 -1.5623 -1.5623 -1.4562 -1.4562 -0.3657 -0.3657 -0.1814 -0.1814 4.5250 4.5250 7.0499 7.0499 12.2830 12.2830 14.1099 14.1099 k = 0.0000 0.1556-0.0000 ( 6489 PWs) bands (ev): -42.0647 -42.0647 -41.9645 -41.9645 -17.5225 -17.5225 -17.1574 -17.1574 -4.9605 -4.9605 -3.9463 -3.9463 -1.5651 -1.5651 -1.4434 -1.4434 -0.3991 -0.3991 -0.1901 -0.1901 4.5792 4.5792 7.0947 7.0947 12.1711 12.1711 14.0896 14.0896 k = 0.0000 0.1667-0.0000 ( 6485 PWs) bands (ev): -42.0637 -42.0637 -41.9653 -41.9653 -17.5187 -17.5187 -17.1605 -17.1605 -4.9538 -4.9538 -3.9619 -3.9619 -1.5680 -1.5680 -1.4297 -1.4297 -0.4338 -0.4338 -0.1995 -0.1995 4.6364 4.6364 7.1418 7.1418 12.0566 12.0566 14.0735 14.0735 k = 0.0000 0.1778-0.0000 ( 6482 PWs) bands (ev): -42.0626 -42.0626 -41.9663 -41.9663 -17.5146 -17.5146 -17.1638 -17.1638 -4.9466 -4.9466 -3.9782 -3.9782 -1.5708 -1.5708 -1.4151 -1.4151 -0.4697 -0.4697 -0.2096 -0.2096 4.6965 4.6965 7.1908 7.1908 11.9404 11.9404 14.0615 14.0615 k = 0.0000 0.1889-0.0000 ( 6476 PWs) bands (ev): -42.0614 -42.0614 -41.9673 -41.9673 -17.5104 -17.5104 -17.1673 -17.1673 -4.9389 -4.9389 -3.9952 -3.9952 -1.5737 -1.5737 -1.3997 -1.3997 -0.5066 -0.5066 -0.2203 -0.2203 4.7593 4.7593 7.2414 7.2414 11.8232 11.8232 14.0535 14.0535 k = 0.0000 0.2000-0.0000 ( 6472 PWs) bands (ev): -42.0602 -42.0602 -41.9683 -41.9683 -17.5059 -17.5059 -17.1710 -17.1710 -4.9308 -4.9308 -4.0127 -4.0127 -1.5764 -1.5764 -1.3835 -1.3835 -0.5443 -0.5443 -0.2316 -0.2316 4.8247 4.8247 7.2934 7.2934 11.7059 11.7059 14.0492 14.0492 k = 0.0000 0.2111-0.0000 ( 6470 PWs) bands (ev): -42.0589 -42.0589 -41.9695 -41.9695 -17.5011 -17.5011 -17.1748 -17.1748 -4.9222 -4.9222 -4.0308 -4.0308 -1.5791 -1.5791 -1.3665 -1.3665 -0.5826 -0.5826 -0.2436 -0.2436 4.8925 4.8925 7.3464 7.3464 11.5892 11.5892 14.0197 14.0201 k = 0.0000 0.2222-0.0000 ( 6474 PWs) bands (ev): -42.0576 -42.0576 -41.9706 -41.9706 -17.4962 -17.4962 -17.1789 -17.1789 -4.9132 -4.9132 -4.0494 -4.0494 -1.5816 -1.5816 -1.3487 -1.3487 -0.6215 -0.6215 -0.2562 -0.2562 4.9627 4.9627 7.3999 7.3999 11.4737 11.4737 13.9147 13.9147 k = 0.0000 0.2333-0.0000 ( 6480 PWs) bands (ev): -42.0562 -42.0562 -41.9718 -41.9718 -17.4911 -17.4911 -17.1832 -17.1832 -4.9037 -4.9037 -4.0685 -4.0685 -1.5838 -1.5838 -1.3303 -1.3303 -0.6607 -0.6607 -0.2696 -0.2696 5.0351 5.0351 7.4535 7.4535 11.3602 11.3602 13.8056 13.8056 k = 0.0000 0.2444-0.0000 ( 6480 PWs) bands (ev): -42.0548 -42.0548 -41.9731 -41.9731 -17.4858 -17.4858 -17.1876 -17.1876 -4.8938 -4.8938 -4.0879 -4.0879 -1.5858 -1.5858 -1.3111 -1.3111 -0.7000 -0.7000 -0.2835 -0.2835 5.1097 5.1097 7.5068 7.5068 11.2493 11.2493 13.6931 13.6931 k = 0.0000 0.2556-0.0000 ( 6478 PWs) bands (ev): -42.0533 -42.0533 -41.9744 -41.9744 -17.4803 -17.4803 -17.1923 -17.1923 -4.8834 -4.8834 -4.1077 -4.1077 -1.5875 -1.5875 -1.2913 -1.2913 -0.7395 -0.7395 -0.2981 -0.2981 5.1862 5.1862 7.5590 7.5590 11.1419 11.1419 13.5776 13.5776 k = 0.0000 0.2667-0.0000 ( 6482 PWs) bands (ev): -42.0518 -42.0518 -41.9758 -41.9758 -17.4746 -17.4746 -17.1971 -17.1971 -4.8726 -4.8726 -4.1278 -4.1278 -1.5888 -1.5888 -1.2709 -1.2709 -0.7789 -0.7789 -0.3133 -0.3133 5.2646 5.2646 7.6095 7.6095 11.0386 11.0386 13.4596 13.4596 k = 0.0000 0.2778-0.0000 ( 6474 PWs) bands (ev): -42.0502 -42.0502 -41.9772 -41.9772 -17.4687 -17.4687 -17.2021 -17.2021 -4.8613 -4.8613 -4.1481 -4.1481 -1.5896 -1.5896 -1.2498 -1.2498 -0.8181 -0.8181 -0.3292 -0.3292 5.3448 5.3448 7.6577 7.6577 10.9403 10.9403 13.3395 13.3395 k = 0.0000 0.2889-0.0000 ( 6470 PWs) bands (ev): -42.0486 -42.0486 -41.9787 -41.9787 -17.4627 -17.4627 -17.2072 -17.2072 -4.8496 -4.8496 -4.1686 -4.1686 -1.5900 -1.5900 -1.2282 -1.2282 -0.8570 -0.8570 -0.3457 -0.3457 5.4266 5.4266 7.7027 7.7027 10.8479 10.8479 13.2179 13.2179 k = 0.0000 0.3000-0.0000 ( 6472 PWs) bands (ev): -42.0469 -42.0469 -41.9802 -41.9802 -17.4566 -17.4566 -17.2126 -17.2126 -4.8375 -4.8375 -4.1892 -4.1892 -1.5898 -1.5898 -1.2061 -1.2061 -0.8955 -0.8955 -0.3628 -0.3628 5.5101 5.5101 7.7435 7.7435 10.7623 10.7623 13.0950 13.0950 k = 0.0000 0.3111-0.0000 ( 6474 PWs) bands (ev): -42.0452 -42.0452 -41.9817 -41.9817 -17.4503 -17.4503 -17.2181 -17.2181 -4.8250 -4.8250 -4.2100 -4.2100 -1.5890 -1.5890 -1.1834 -1.1834 -0.9334 -0.9334 -0.3806 -0.3806 5.5950 5.5950 7.7793 7.7793 10.6845 10.6845 12.9713 12.9713 k = 0.0000 0.3222-0.0000 ( 6480 PWs) bands (ev): -42.0435 -42.0435 -41.9833 -41.9833 -17.4438 -17.4438 -17.2237 -17.2237 -4.8120 -4.8120 -4.2309 -4.2309 -1.5875 -1.5875 -1.1603 -1.1603 -0.9708 -0.9708 -0.3989 -0.3989 5.6813 5.6813 7.8089 7.8089 10.6156 10.6156 12.8471 12.8471 k = 0.0000 0.3333-0.0000 ( 6492 PWs) bands (ev): -42.0417 -42.0417 -41.9849 -41.9849 -17.4373 -17.4373 -17.2295 -17.2295 -4.7987 -4.7987 -4.2518 -4.2518 -1.5853 -1.5853 -1.1368 -1.1368 -1.0075 -1.0075 -0.4178 -0.4178 5.7690 5.7690 7.8313 7.8313 10.5566 10.5566 12.7228 12.7228 k = 0.0000 0.3444-0.0000 ( 6480 PWs) bands (ev): -42.0399 -42.0399 -41.9866 -41.9866 -17.4306 -17.4306 -17.2355 -17.2355 -4.7849 -4.7849 -4.2727 -4.2727 -1.5823 -1.5823 -1.1129 -1.1129 -1.0434 -1.0434 -0.4373 -0.4373 5.8578 5.8578 7.8457 7.8457 10.5086 10.5086 12.5985 12.5985 k = 0.0000 0.3556-0.0000 ( 6486 PWs) bands (ev): -42.0381 -42.0381 -41.9883 -41.9883 -17.4238 -17.4238 -17.2416 -17.2416 -4.7707 -4.7707 -4.2936 -4.2936 -1.5785 -1.5785 -1.0886 -1.0886 -1.0784 -1.0784 -0.4573 -0.4573 5.9477 5.9477 7.8510 7.8510 10.4722 10.4722 12.4746 12.4746 k = 0.0000 0.3667-0.0000 ( 6496 PWs) bands (ev): -42.0362 -42.0362 -41.9900 -41.9900 -17.4169 -17.4169 -17.2478 -17.2478 -4.7562 -4.7562 -4.3145 -4.3145 -1.5738 -1.5738 -1.1125 -1.1125 -1.0640 -1.0640 -0.4779 -0.4779 6.0387 6.0387 7.8467 7.8467 10.4482 10.4482 12.3513 12.3513 k = 0.0000 0.3778-0.0000 ( 6492 PWs) bands (ev): -42.0343 -42.0343 -41.9918 -41.9918 -17.4100 -17.4100 -17.2542 -17.2542 -4.7412 -4.7412 -4.3353 -4.3353 -1.5682 -1.5682 -1.1456 -1.1456 -1.0392 -1.0392 -0.4990 -0.4990 6.1305 6.1305 7.8325 7.8325 10.4369 10.4369 12.2290 12.2290 k = 0.0000 0.3889-0.0000 ( 6490 PWs) bands (ev): -42.0324 -42.0324 -41.9936 -41.9936 -17.4029 -17.4029 -17.2606 -17.2606 -4.7259 -4.7259 -4.3560 -4.3560 -1.5616 -1.5616 -1.1777 -1.1777 -1.0141 -1.0141 -0.5206 -0.5206 6.2230 6.2230 7.8082 7.8082 10.4384 10.4384 12.1077 12.1077 k = 0.0000 0.4000-0.0000 ( 6480 PWs) bands (ev): -42.0305 -42.0305 -41.9954 -41.9954 -17.3958 -17.3958 -17.2672 -17.2672 -4.7102 -4.7102 -4.3766 -4.3766 -1.5540 -1.5540 -1.2087 -1.2087 -0.9888 -0.9888 -0.5427 -0.5427 6.3162 6.3162 7.7741 7.7741 10.4524 10.4524 11.9878 11.9878 k = 0.0000 0.4111-0.0000 ( 6482 PWs) bands (ev): -42.0286 -42.0286 -41.9972 -41.9972 -17.3886 -17.3886 -17.2739 -17.2739 -4.6942 -4.6942 -4.3971 -4.3971 -1.5453 -1.5453 -1.2386 -1.2386 -0.9633 -0.9633 -0.5653 -0.5653 6.4099 6.4099 7.7307 7.7307 10.4783 10.4783 11.8695 11.8695 k = 0.0000 0.4222-0.0000 ( 6482 PWs) bands (ev): -42.0266 -42.0266 -41.9991 -41.9991 -17.3814 -17.3814 -17.2807 -17.2807 -4.6778 -4.6778 -4.4174 -4.4174 -1.5354 -1.5354 -1.2672 -1.2672 -0.9378 -0.9378 -0.5882 -0.5882 6.5039 6.5039 7.6789 7.6789 10.5154 10.5154 11.7530 11.7530 k = 0.0000 0.4333-0.0000 ( 6478 PWs) bands (ev): -42.0246 -42.0246 -42.0010 -42.0010 -17.3741 -17.3741 -17.2876 -17.2876 -4.6610 -4.6610 -4.4376 -4.4376 -1.5245 -1.5245 -1.2947 -1.2947 -0.9121 -0.9121 -0.6116 -0.6116 6.5980 6.5980 7.6194 7.6194 10.5628 10.5628 11.6386 11.6386 k = 0.0000 0.4444-0.0000 ( 6488 PWs) bands (ev): -42.0227 -42.0227 -42.0029 -42.0029 -17.3668 -17.3668 -17.2946 -17.2946 -4.6440 -4.6440 -4.4576 -4.4576 -1.5123 -1.5123 -1.3209 -1.3209 -0.8864 -0.8864 -0.6353 -0.6353 6.6921 6.6921 7.5531 7.5531 10.6196 10.6196 11.5266 11.5266 k = 0.0000 0.4556-0.0000 ( 6488 PWs) bands (ev): -42.0207 -42.0207 -42.0049 -42.0049 -17.3595 -17.3595 -17.3016 -17.3016 -4.6266 -4.6266 -4.4773 -4.4773 -1.4989 -1.4989 -1.3459 -1.3459 -0.8607 -0.8607 -0.6594 -0.6594 6.7858 6.7858 7.4811 7.4811 10.6848 10.6848 11.4171 11.4171 k = 0.0000 0.4667-0.0000 ( 6490 PWs) bands (ev): -42.0187 -42.0187 -42.0068 -42.0068 -17.3522 -17.3522 -17.3087 -17.3087 -4.6089 -4.6089 -4.4969 -4.4969 -1.4843 -1.4843 -1.3695 -1.3695 -0.8350 -0.8350 -0.6838 -0.6838 6.8790 6.8790 7.4042 7.4042 10.7575 10.7575 11.3107 11.3107 k = 0.0000 0.4778-0.0000 ( 6486 PWs) bands (ev): -42.0167 -42.0167 -42.0088 -42.0088 -17.3449 -17.3449 -17.3159 -17.3159 -4.5909 -4.5909 -4.5162 -4.5162 -1.4684 -1.4684 -1.3919 -1.3919 -0.8094 -0.8094 -0.7085 -0.7085 6.9712 6.9712 7.3231 7.3231 10.8369 10.8369 11.2075 11.2075 k = 0.0000 0.4889-0.0000 ( 6494 PWs) bands (ev): -42.0147 -42.0147 -42.0107 -42.0107 -17.3376 -17.3376 -17.3231 -17.3231 -4.5727 -4.5727 -4.5353 -4.5353 -1.4512 -1.4512 -1.4130 -1.4130 -0.7840 -0.7840 -0.7335 -0.7335 7.0622 7.0622 7.2387 7.2387 10.9222 10.9222 11.1081 11.1081 k = 0.0000 0.5000-0.0000 ( 6490 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3303 -17.3303 -17.3303 -17.3303 -4.5541 -4.5541 -4.5541 -4.5541 -1.4328 -1.4328 -1.4328 -1.4328 -0.7586 -0.7586 -0.7586 -0.7586 7.1515 7.1515 7.1515 7.1515 11.0128 11.0128 11.0128 11.0128 k = 0.0000 0.5000-0.0000 ( 6490 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3303 -17.3303 -17.3303 -17.3303 -4.5541 -4.5541 -4.5541 -4.5541 -1.4328 -1.4328 -1.4328 -1.4328 -0.7586 -0.7586 -0.7586 -0.7586 7.1515 7.1515 7.1515 7.1515 11.0128 11.0128 11.0128 11.0128 k = 0.0111 0.5000-0.0000 ( 6490 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3303 -17.3303 -17.3303 -17.3303 -4.5542 -4.5542 -4.5542 -4.5542 -1.4331 -1.4331 -1.4331 -1.4331 -0.7585 -0.7585 -0.7584 -0.7584 7.1511 7.1511 7.1511 7.1511 11.0142 11.0142 11.0142 11.0142 k = 0.0222 0.5000-0.0000 ( 6490 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3303 -17.3303 -17.3303 -17.3303 -4.5544 -4.5544 -4.5544 -4.5544 -1.4341 -1.4341 -1.4340 -1.4340 -0.7580 -0.7580 -0.7577 -0.7577 7.1496 7.1496 7.1496 7.1496 11.0182 11.0182 11.0183 11.0183 k = 0.0333 0.5000-0.0000 ( 6486 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3302 -17.3302 -17.3302 -17.3302 -4.5548 -4.5548 -4.5547 -4.5547 -1.4358 -1.4358 -1.4356 -1.4356 -0.7572 -0.7572 -0.7567 -0.7567 7.1471 7.1471 7.1472 7.1472 11.0249 11.0249 11.0250 11.0250 k = 0.0444 0.5000-0.0000 ( 6486 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3301 -17.3301 -17.3301 -17.3301 -4.5554 -4.5554 -4.5552 -4.5552 -1.4382 -1.4382 -1.4379 -1.4379 -0.7560 -0.7560 -0.7554 -0.7554 7.1437 7.1437 7.1438 7.1438 11.0340 11.0340 11.0342 11.0342 k = 0.0556 0.5000-0.0000 ( 6486 PWs) bands (ev): -42.0126 -42.0126 -42.0126 -42.0126 -17.3299 -17.3299 -17.3299 -17.3299 -4.5561 -4.5561 -4.5559 -4.5559 -1.4411 -1.4411 -1.4408 -1.4408 -0.7543 -0.7543 -0.7536 -0.7536 7.1394 7.1394 7.1395 7.1395 11.0456 11.0456 11.0458 11.0458 k = 0.0667 0.5000-0.0000 ( 6490 PWs) bands (ev): -42.0126 -42.0126 -42.0126 -42.0126 -17.3298 -17.3298 -17.3298 -17.3298 -4.5569 -4.5569 -4.5567 -4.5567 -1.4448 -1.4448 -1.4444 -1.4444 -0.7523 -0.7523 -0.7515 -0.7515 7.1341 7.1341 7.1342 7.1342 11.0592 11.0592 11.0595 11.0595 k = 0.0778 0.5000-0.0000 ( 6494 PWs) bands (ev): -42.0126 -42.0126 -42.0126 -42.0126 -17.3296 -17.3296 -17.3296 -17.3296 -4.5579 -4.5579 -4.5577 -4.5577 -1.4490 -1.4490 -1.4486 -1.4486 -0.7499 -0.7499 -0.7489 -0.7489 7.1280 7.1280 7.1280 7.1280 11.0748 11.0748 11.0751 11.0751 k = 0.0889 0.5000-0.0000 ( 6502 PWs) bands (ev): -42.0125 -42.0125 -42.0125 -42.0125 -17.3293 -17.3293 -17.3293 -17.3293 -4.5590 -4.5590 -4.5588 -4.5588 -1.4539 -1.4539 -1.4535 -1.4535 -0.7471 -0.7471 -0.7460 -0.7460 7.1209 7.1209 7.1210 7.1210 11.0918 11.0918 11.0923 11.0923 k = 0.1000 0.5000-0.0000 ( 6506 PWs) bands (ev): -42.0125 -42.0125 -42.0125 -42.0125 -17.3291 -17.3291 -17.3291 -17.3291 -4.5603 -4.5603 -4.5600 -4.5600 -1.4595 -1.4595 -1.4589 -1.4589 -0.7439 -0.7439 -0.7426 -0.7426 7.1130 7.1130 7.1131 7.1131 11.1100 11.1100 11.1106 11.1106 k = 0.1111 0.5000-0.0000 ( 6506 PWs) bands (ev): -42.0124 -42.0124 -42.0124 -42.0124 -17.3288 -17.3288 -17.3288 -17.3288 -4.5616 -4.5616 -4.5613 -4.5613 -1.4656 -1.4656 -1.4650 -1.4650 -0.7402 -0.7402 -0.7389 -0.7389 7.1043 7.1043 7.1044 7.1044 11.1290 11.1290 11.1296 11.1296 k = 0.1222 0.5000-0.0000 ( 6502 PWs) bands (ev): -42.0124 -42.0124 -42.0124 -42.0124 -17.3285 -17.3285 -17.3285 -17.3285 -4.5631 -4.5631 -4.5627 -4.5627 -1.4723 -1.4723 -1.4717 -1.4717 -0.7361 -0.7361 -0.7347 -0.7347 7.0949 7.0949 7.0950 7.0950 11.1481 11.1481 11.1488 11.1488 k = 0.1333 0.5000-0.0000 ( 6498 PWs) bands (ev): -42.0123 -42.0123 -42.0123 -42.0123 -17.3282 -17.3282 -17.3282 -17.3282 -4.5647 -4.5647 -4.5643 -4.5643 -1.4796 -1.4796 -1.4790 -1.4790 -0.7315 -0.7315 -0.7301 -0.7301 7.0847 7.0847 7.0848 7.0848 11.1667 11.1667 11.1675 11.1675 k = 0.1444 0.5000-0.0000 ( 6498 PWs) bands (ev): -42.0122 -42.0122 -42.0122 -42.0122 -17.3278 -17.3278 -17.3278 -17.3278 -4.5663 -4.5663 -4.5659 -4.5659 -1.4874 -1.4874 -1.4868 -1.4868 -0.7266 -0.7266 -0.7251 -0.7251 7.0738 7.0738 7.0739 7.0739 11.1844 11.1844 11.1853 11.1853 k = 0.1556 0.5000-0.0000 ( 6502 PWs) bands (ev): -42.0122 -42.0122 -42.0121 -42.0121 -17.3274 -17.3274 -17.3274 -17.3274 -4.5681 -4.5681 -4.5677 -4.5677 -1.4957 -1.4957 -1.4952 -1.4952 -0.7212 -0.7212 -0.7196 -0.7196 7.0622 7.0622 7.0623 7.0623 11.2003 11.2003 11.2013 11.2013 k = 0.1667 0.5000-0.0000 ( 6504 PWs) bands (ev): -42.0121 -42.0121 -42.0121 -42.0121 -17.3270 -17.3270 -17.3270 -17.3270 -4.5699 -4.5699 -4.5695 -4.5695 -1.5045 -1.5045 -1.5040 -1.5040 -0.7154 -0.7154 -0.7138 -0.7138 7.0501 7.0501 7.0502 7.0502 11.2138 11.2138 11.2149 11.2149 k = 0.1778 0.5000-0.0000 ( 6500 PWs) bands (ev): -42.0120 -42.0120 -42.0120 -42.0120 -17.3266 -17.3266 -17.3266 -17.3266 -4.5718 -4.5718 -4.5713 -4.5713 -1.5138 -1.5138 -1.5132 -1.5132 -0.7092 -0.7092 -0.7076 -0.7076 7.0375 7.0375 7.0375 7.0375 11.2241 11.2241 11.2254 11.2254 k = 0.1889 0.5000-0.0000 ( 6500 PWs) bands (ev): -42.0119 -42.0119 -42.0119 -42.0119 -17.3262 -17.3262 -17.3262 -17.3262 -4.5738 -4.5738 -4.5733 -4.5733 -1.5234 -1.5234 -1.5229 -1.5229 -0.7027 -0.7027 -0.7010 -0.7010 7.0243 7.0243 7.0244 7.0244 11.2307 11.2307 11.2320 11.2320 k = 0.2000 0.5000-0.0000 ( 6510 PWs) bands (ev): -42.0118 -42.0118 -42.0118 -42.0118 -17.3258 -17.3258 -17.3258 -17.3258 -4.5758 -4.5758 -4.5753 -4.5753 -1.5334 -1.5334 -1.5329 -1.5329 -0.6958 -0.6958 -0.6941 -0.6941 7.0108 7.0108 7.0108 7.0108 11.2329 11.2329 11.2344 11.2344 k = 0.2111 0.5000-0.0000 ( 6506 PWs) bands (ev): -42.0117 -42.0117 -42.0117 -42.0117 -17.3253 -17.3253 -17.3253 -17.3253 -4.5778 -4.5778 -4.5773 -4.5773 -1.5437 -1.5437 -1.5432 -1.5432 -0.6885 -0.6885 -0.6869 -0.6869 6.9968 6.9968 6.9969 6.9969 11.2304 11.2304 11.2320 11.2320 k = 0.2222 0.5000-0.0000 ( 6510 PWs) bands (ev): -42.0116 -42.0116 -42.0116 -42.0116 -17.3249 -17.3249 -17.3249 -17.3249 -4.5799 -4.5799 -4.5793 -4.5793 -1.5542 -1.5542 -1.5538 -1.5538 -0.6810 -0.6810 -0.6794 -0.6794 6.9826 6.9826 6.9827 6.9827 11.2230 11.2230 11.2247 11.2247 k = 0.2333 0.5000-0.0000 ( 6510 PWs) bands (ev): -42.0116 -42.0116 -42.0116 -42.0116 -17.3244 -17.3244 -17.3244 -17.3244 -4.5820 -4.5820 -4.5814 -4.5814 -1.5650 -1.5650 -1.5646 -1.5646 -0.6732 -0.6732 -0.6716 -0.6716 6.9681 6.9681 6.9682 6.9682 11.2107 11.2107 11.2124 11.2124 k = 0.2444 0.5000-0.0000 ( 6504 PWs) bands (ev): -42.0115 -42.0115 -42.0115 -42.0115 -17.3240 -17.3240 -17.3240 -17.3240 -4.5840 -4.5840 -4.5835 -4.5835 -1.5759 -1.5759 -1.5755 -1.5755 -0.6652 -0.6652 -0.6637 -0.6637 6.9535 6.9535 6.9536 6.9536 11.1936 11.1936 11.1954 11.1954 k = 0.2556 0.5000-0.0000 ( 6496 PWs) bands (ev): -42.0114 -42.0114 -42.0114 -42.0114 -17.3235 -17.3235 -17.3235 -17.3235 -4.5861 -4.5861 -4.5856 -4.5856 -1.5868 -1.5868 -1.5865 -1.5865 -0.6571 -0.6571 -0.6555 -0.6555 6.9388 6.9388 6.9389 6.9389 11.1721 11.1721 11.1740 11.1740 k = 0.2667 0.5000-0.0000 ( 6496 PWs) bands (ev): -42.0113 -42.0113 -42.0113 -42.0113 -17.3231 -17.3231 -17.3231 -17.3231 -4.5882 -4.5882 -4.5876 -4.5876 -1.5978 -1.5978 -1.5975 -1.5975 -0.6488 -0.6488 -0.6473 -0.6473 6.9240 6.9240 6.9241 6.9241 11.1467 11.1467 11.1486 11.1486 k = 0.2778 0.5000-0.0000 ( 6500 PWs) bands (ev): -42.0112 -42.0112 -42.0112 -42.0112 -17.3226 -17.3226 -17.3226 -17.3226 -4.5902 -4.5902 -4.5896 -4.5896 -1.6088 -1.6088 -1.6085 -1.6085 -0.6404 -0.6404 -0.6389 -0.6389 6.9093 6.9093 6.9094 6.9094 11.1182 11.1182 11.1201 11.1201 k = 0.2889 0.5000-0.0000 ( 6502 PWs) bands (ev): -42.0111 -42.0111 -42.0111 -42.0111 -17.3222 -17.3222 -17.3222 -17.3222 -4.5922 -4.5922 -4.5916 -4.5916 -1.6196 -1.6196 -1.6194 -1.6194 -0.6320 -0.6320 -0.6306 -0.6306 6.8947 6.8947 6.8947 6.8947 11.0870 11.0870 11.0889 11.0889 k = 0.3000 0.5000-0.0000 ( 6512 PWs) bands (ev): -42.0110 -42.0110 -42.0110 -42.0110 -17.3217 -17.3217 -17.3217 -17.3217 -4.5941 -4.5941 -4.5936 -4.5936 -1.6303 -1.6303 -1.6301 -1.6301 -0.6236 -0.6236 -0.6223 -0.6223 6.8803 6.8803 6.8803 6.8803 11.0539 11.0539 11.0557 11.0557 k = 0.3111 0.5000-0.0000 ( 6496 PWs) bands (ev): -42.0109 -42.0109 -42.0109 -42.0109 -17.3213 -17.3213 -17.3213 -17.3213 -4.5960 -4.5960 -4.5955 -4.5955 -1.6408 -1.6408 -1.6406 -1.6406 -0.6153 -0.6153 -0.6140 -0.6140 6.8661 6.8661 6.8661 6.8661 11.0195 11.0195 11.0213 11.0213 k = 0.3222 0.5000-0.0000 ( 6498 PWs) bands (ev): -42.0108 -42.0108 -42.0108 -42.0108 -17.3209 -17.3209 -17.3209 -17.3209 -4.5978 -4.5978 -4.5974 -4.5974 -1.6511 -1.6511 -1.6509 -1.6509 -0.6071 -0.6071 -0.6059 -0.6059 6.8522 6.8522 6.8523 6.8523 10.9845 10.9845 10.9862 10.9862 k = 0.3333 0.5000-0.0000 ( 6498 PWs) bands (ev): -42.0107 -42.0107 -42.0107 -42.0107 -17.3205 -17.3205 -17.3205 -17.3205 -4.5996 -4.5996 -4.5991 -4.5991 -1.6610 -1.6610 -1.6609 -1.6609 -0.5991 -0.5991 -0.5979 -0.5979 6.8388 6.8388 6.8388 6.8388 10.9494 10.9494 10.9511 10.9511 k = 0.3444 0.5000-0.0000 ( 6502 PWs) bands (ev): -42.0107 -42.0107 -42.0107 -42.0107 -17.3201 -17.3201 -17.3201 -17.3201 -4.6013 -4.6013 -4.6008 -4.6008 -1.6706 -1.6706 -1.6704 -1.6704 -0.5913 -0.5913 -0.5902 -0.5902 6.8258 6.8258 6.8258 6.8258 10.9147 10.9147 10.9163 10.9163 k = 0.3556 0.5000-0.0000 ( 6504 PWs) bands (ev): -42.0106 -42.0106 -42.0106 -42.0106 -17.3197 -17.3197 -17.3197 -17.3197 -4.6029 -4.6029 -4.6024 -4.6024 -1.6797 -1.6797 -1.6796 -1.6796 -0.5837 -0.5837 -0.5827 -0.5827 6.8133 6.8133 6.8134 6.8134 10.8808 10.8808 10.8823 10.8823 k = 0.3667 0.5000-0.0000 ( 6512 PWs) bands (ev): -42.0105 -42.0105 -42.0105 -42.0105 -17.3194 -17.3194 -17.3194 -17.3194 -4.6044 -4.6044 -4.6040 -4.6040 -1.6883 -1.6883 -1.6883 -1.6883 -0.5765 -0.5765 -0.5756 -0.5756 6.8015 6.8015 6.8015 6.8015 10.8482 10.8482 10.8496 10.8496 k = 0.3778 0.5000-0.0000 ( 6522 PWs) bands (ev): -42.0105 -42.0105 -42.0105 -42.0105 -17.3190 -17.3190 -17.3190 -17.3190 -4.6058 -4.6058 -4.6054 -4.6054 -1.6965 -1.6965 -1.6964 -1.6964 -0.5697 -0.5697 -0.5688 -0.5688 6.7903 6.7903 6.7904 6.7904 10.8172 10.8172 10.8185 10.8185 k = 0.3889 0.5000-0.0000 ( 6526 PWs) bands (ev): -42.0104 -42.0104 -42.0104 -42.0104 -17.3187 -17.3187 -17.3187 -17.3187 -4.6071 -4.6071 -4.6067 -4.6067 -1.7041 -1.7041 -1.7040 -1.7040 -0.5633 -0.5633 -0.5625 -0.5625 6.7799 6.7799 6.7799 6.7799 10.7880 10.7880 10.7892 10.7892 k = 0.4000 0.5000-0.0000 ( 6526 PWs) bands (ev): -42.0104 -42.0104 -42.0104 -42.0104 -17.3185 -17.3185 -17.3185 -17.3185 -4.6083 -4.6083 -4.6079 -4.6079 -1.7111 -1.7111 -1.7110 -1.7110 -0.5574 -0.5574 -0.5566 -0.5566 6.7703 6.7703 6.7703 6.7703 10.7610 10.7610 10.7621 10.7621 k = 0.4111 0.5000-0.0000 ( 6522 PWs) bands (ev): -42.0103 -42.0103 -42.0103 -42.0103 -17.3182 -17.3182 -17.3182 -17.3182 -4.6093 -4.6093 -4.6090 -4.6090 -1.7174 -1.7174 -1.7174 -1.7174 -0.5519 -0.5519 -0.5513 -0.5513 6.7615 6.7615 6.7615 6.7615 10.7364 10.7364 10.7373 10.7373 k = 0.4222 0.5000-0.0000 ( 6526 PWs) bands (ev): -42.0103 -42.0103 -42.0103 -42.0103 -17.3180 -17.3180 -17.3180 -17.3180 -4.6103 -4.6103 -4.6100 -4.6100 -1.7231 -1.7231 -1.7231 -1.7231 -0.5470 -0.5470 -0.5465 -0.5465 6.7536 6.7536 6.7536 6.7536 10.7142 10.7142 10.7151 10.7151 k = 0.4333 0.5000-0.0000 ( 6526 PWs) bands (ev): -42.0102 -42.0102 -42.0102 -42.0102 -17.3178 -17.3178 -17.3178 -17.3178 -4.6111 -4.6111 -4.6109 -4.6109 -1.7281 -1.7281 -1.7281 -1.7281 -0.5427 -0.5427 -0.5422 -0.5422 6.7467 6.7467 6.7467 6.7467 10.6948 10.6948 10.6955 10.6955 k = 0.4444 0.5000-0.0000 ( 6522 PWs) bands (ev): -42.0102 -42.0102 -42.0102 -42.0102 -17.3176 -17.3176 -17.3176 -17.3176 -4.6118 -4.6118 -4.6116 -4.6116 -1.7323 -1.7323 -1.7323 -1.7323 -0.5390 -0.5390 -0.5386 -0.5386 6.7407 6.7407 6.7407 6.7407 10.6781 10.6781 10.6787 10.6787 k = 0.4556 0.5000-0.0000 ( 6526 PWs) bands (ev): -42.0102 -42.0102 -42.0102 -42.0102 -17.3175 -17.3175 -17.3175 -17.3175 -4.6124 -4.6124 -4.6122 -4.6122 -1.7359 -1.7359 -1.7359 -1.7359 -0.5359 -0.5359 -0.5356 -0.5356 6.7358 6.7358 6.7358 6.7358 10.6644 10.6644 10.6649 10.6649 k = 0.4667 0.5000-0.0000 ( 6526 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3173 -17.3173 -17.3173 -17.3173 -4.6128 -4.6128 -4.6127 -4.6127 -1.7386 -1.7386 -1.7386 -1.7386 -0.5335 -0.5335 -0.5332 -0.5332 6.7320 6.7320 6.7320 6.7320 10.6536 10.6536 10.6540 10.6540 k = 0.4778 0.5000-0.0000 ( 6544 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3173 -17.3173 -17.3173 -17.3173 -4.6131 -4.6131 -4.6131 -4.6131 -1.7406 -1.7406 -1.7406 -1.7406 -0.5317 -0.5317 -0.5315 -0.5315 6.7292 6.7292 6.7292 6.7292 10.6459 10.6459 10.6461 10.6461 k = 0.4889 0.5000-0.0000 ( 6532 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3172 -17.3172 -17.3172 -17.3172 -4.6133 -4.6133 -4.6133 -4.6133 -1.7418 -1.7418 -1.7418 -1.7418 -0.5306 -0.5306 -0.5306 -0.5306 6.7275 6.7275 6.7275 6.7275 10.6413 10.6413 10.6414 10.6414 k = 0.5000 0.5000-0.0000 ( 6512 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3172 -17.3172 -17.3172 -17.3172 -4.6134 -4.6134 -4.6134 -4.6134 -1.7422 -1.7422 -1.7422 -1.7422 -0.5302 -0.5302 -0.5302 -0.5302 6.7270 6.7270 6.7270 6.7270 10.6398 10.6398 10.6398 10.6398 k = 0.5000 0.5000-0.0000 ( 6512 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3172 -17.3172 -17.3172 -17.3172 -4.6134 -4.6134 -4.6134 -4.6134 -1.7422 -1.7422 -1.7422 -1.7422 -0.5302 -0.5302 -0.5302 -0.5302 6.7270 6.7270 6.7270 6.7270 10.6398 10.6398 10.6398 10.6398 k = 0.4921 0.4921-0.0000 ( 6534 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3174 -17.3174 -17.3171 -17.3171 -4.6136 -4.6136 -4.6130 -4.6130 -1.7420 -1.7420 -1.7415 -1.7415 -0.5312 -0.5312 -0.5300 -0.5300 6.7258 6.7258 6.7293 6.7293 10.6404 10.6404 10.6423 10.6423 k = 0.4841 0.4841-0.0000 ( 6550 PWs) bands (ev): -42.0103 -42.0103 -42.0100 -42.0100 -17.3178 -17.3178 -17.3168 -17.3168 -4.6144 -4.6144 -4.6118 -4.6118 -1.7416 -1.7416 -1.7395 -1.7395 -0.5341 -0.5341 -0.5292 -0.5292 6.7221 6.7221 6.7364 6.7364 10.6424 10.6424 10.6499 10.6499 k = 0.4762 0.4762-0.0000 ( 6538 PWs) bands (ev): -42.0105 -42.0105 -42.0098 -42.0098 -17.3185 -17.3185 -17.3162 -17.3162 -4.6156 -4.6156 -4.6099 -4.6099 -1.7409 -1.7409 -1.7361 -1.7361 -0.5388 -0.5388 -0.5280 -0.5280 6.7160 6.7160 6.7481 6.7481 10.6457 10.6457 10.6625 10.6625 k = 0.4683 0.4683-0.0000 ( 6520 PWs) bands (ev): -42.0107 -42.0107 -42.0096 -42.0096 -17.3195 -17.3195 -17.3154 -17.3154 -4.6174 -4.6174 -4.6072 -4.6072 -1.7400 -1.7400 -1.7314 -1.7314 -0.5454 -0.5454 -0.5263 -0.5263 6.7076 6.7076 6.7643 6.7643 10.6503 10.6503 10.6802 10.6802 k = 0.4603 0.4603-0.0000 ( 6512 PWs) bands (ev): -42.0111 -42.0111 -42.0093 -42.0093 -17.3209 -17.3209 -17.3144 -17.3144 -4.6197 -4.6197 -4.6037 -4.6037 -1.7387 -1.7387 -1.7254 -1.7254 -0.5538 -0.5538 -0.5240 -0.5240 6.6967 6.6967 6.7851 6.7851 10.6563 10.6563 10.7029 10.7029 k = 0.4524 0.4524-0.0000 ( 6508 PWs) bands (ev): -42.0115 -42.0115 -42.0090 -42.0090 -17.3224 -17.3224 -17.3131 -17.3131 -4.6224 -4.6224 -4.5994 -4.5994 -1.7372 -1.7372 -1.7180 -1.7180 -0.5640 -0.5640 -0.5213 -0.5213 6.6835 6.6835 6.8101 6.8101 10.6635 10.6635 10.7305 10.7305 k = 0.4444 0.4444-0.0000 ( 6508 PWs) bands (ev): -42.0120 -42.0120 -42.0085 -42.0085 -17.3243 -17.3243 -17.3117 -17.3117 -4.6256 -4.6256 -4.5944 -4.5944 -1.7354 -1.7354 -1.7093 -1.7093 -0.5759 -0.5759 -0.5181 -0.5181 6.6679 6.6679 6.8393 6.8393 10.6722 10.6722 10.7630 10.7630 k = 0.4365 0.4365-0.0000 ( 6512 PWs) bands (ev): -42.0125 -42.0125 -42.0081 -42.0081 -17.3265 -17.3265 -17.3100 -17.3100 -4.6293 -4.6293 -4.5886 -4.5886 -1.7334 -1.7334 -1.6992 -1.6992 -0.5893 -0.5893 -0.5144 -0.5144 6.6499 6.6499 6.8726 6.8726 10.6821 10.6821 10.8004 10.8004 k = 0.4286 0.4286-0.0000 ( 6498 PWs) bands (ev): -42.0132 -42.0132 -42.0075 -42.0075 -17.3289 -17.3289 -17.3081 -17.3081 -4.6335 -4.6335 -4.5821 -4.5821 -1.7311 -1.7311 -1.6879 -1.6879 -0.6043 -0.6043 -0.5103 -0.5103 6.6297 6.6297 6.9095 6.9095 10.6935 10.6935 10.8425 10.8425 k = 0.4206 0.4206-0.0000 ( 6506 PWs) bands (ev): -42.0139 -42.0139 -42.0070 -42.0070 -17.3316 -17.3316 -17.3060 -17.3060 -4.6381 -4.6381 -4.5749 -4.5749 -1.7286 -1.7286 -1.6752 -1.6752 -0.6207 -0.6207 -0.5057 -0.5057 6.6072 6.6072 6.9500 6.9500 10.7062 10.7062 10.8895 10.8895 k = 0.4127 0.4127-0.0000 ( 6512 PWs) bands (ev): -42.0147 -42.0147 -42.0063 -42.0063 -17.3345 -17.3345 -17.3037 -17.3037 -4.6431 -4.6431 -4.5669 -4.5669 -1.7258 -1.7258 -1.6612 -1.6612 -0.6385 -0.6385 -0.5007 -0.5007 6.5825 6.5825 6.9937 6.9937 10.7203 10.7203 10.9411 10.9411 k = 0.4048 0.4048-0.0000 ( 6510 PWs) bands (ev): -42.0155 -42.0155 -42.0056 -42.0056 -17.3377 -17.3377 -17.3013 -17.3013 -4.6486 -4.6486 -4.5582 -4.5582 -1.7228 -1.7228 -1.6459 -1.6459 -0.6574 -0.6574 -0.4952 -0.4952 6.5556 6.5556 7.0402 7.0402 10.7358 10.7358 10.9974 10.9974 k = 0.3968 0.3968-0.0000 ( 6502 PWs) bands (ev): -42.0164 -42.0164 -42.0049 -42.0049 -17.3411 -17.3411 -17.2986 -17.2986 -4.6544 -4.6544 -4.5488 -4.5488 -1.7196 -1.7196 -1.6293 -1.6293 -0.6775 -0.6775 -0.4894 -0.4894 6.5265 6.5265 7.0894 7.0894 10.7527 10.7527 11.0582 11.0582 k = 0.3889 0.3889-0.0000 ( 6496 PWs) bands (ev): -42.0173 -42.0173 -42.0041 -42.0041 -17.3448 -17.3448 -17.2957 -17.2957 -4.6607 -4.6607 -4.5387 -4.5387 -1.7162 -1.7162 -1.6114 -1.6114 -0.6986 -0.6986 -0.4831 -0.4831 6.4953 6.4953 7.1407 7.1407 10.7711 10.7711 11.1236 11.1236 k = 0.3810 0.3810-0.0000 ( 6498 PWs) bands (ev): -42.0184 -42.0184 -42.0032 -42.0032 -17.3486 -17.3486 -17.2927 -17.2927 -4.6673 -4.6673 -4.5280 -4.5280 -1.7126 -1.7126 -1.5923 -1.5923 -0.7206 -0.7206 -0.4764 -0.4764 6.4620 6.4620 7.1938 7.1938 10.7909 10.7909 11.1934 11.1934 k = 0.3730 0.3730-0.0000 ( 6494 PWs) bands (ev): -42.0195 -42.0195 -42.0023 -42.0023 -17.3527 -17.3527 -17.2895 -17.2895 -4.6743 -4.6743 -4.5165 -4.5165 -1.7087 -1.7087 -1.5719 -1.5719 -0.7434 -0.7434 -0.4694 -0.4694 6.4266 6.4266 7.2481 7.2481 10.8122 10.8122 11.2676 11.2676 k = 0.3651 0.3651-0.0000 ( 6496 PWs) bands (ev): -42.0206 -42.0206 -42.0014 -42.0014 -17.3570 -17.3570 -17.2862 -17.2862 -4.6817 -4.6817 -4.5045 -4.5045 -1.7048 -1.7048 -1.5502 -1.5502 -0.7669 -0.7669 -0.4621 -0.4621 6.3892 6.3892 7.3033 7.3033 10.8349 10.8349 11.3462 11.3462 k = 0.3571 0.3571-0.0000 ( 6488 PWs) bands (ev): -42.0218 -42.0218 -42.0004 -42.0004 -17.3615 -17.3615 -17.2827 -17.2827 -4.6893 -4.6893 -4.4918 -4.4918 -1.7006 -1.7006 -1.5273 -1.5273 -0.7910 -0.7910 -0.4544 -0.4544 6.3498 6.3498 7.3588 7.3588 10.8592 10.8592 11.4291 11.4291 k = 0.3492 0.3492-0.0000 ( 6496 PWs) bands (ev): -42.0230 -42.0230 -41.9994 -41.9994 -17.3662 -17.3662 -17.2791 -17.2791 -4.6973 -4.6973 -4.4785 -4.4785 -1.6963 -1.6963 -1.5032 -1.5032 -0.8156 -0.8156 -0.4463 -0.4463 6.3085 6.3085 7.4139 7.4139 10.8850 10.8850 11.5162 11.5162 k = 0.3413 0.3413-0.0000 ( 6495 PWs) bands (ev): -42.0243 -42.0243 -41.9983 -41.9983 -17.3710 -17.3710 -17.2753 -17.2753 -4.7055 -4.7055 -4.4646 -4.4646 -1.6919 -1.6919 -1.4779 -1.4779 -0.8405 -0.8405 -0.4380 -0.4380 6.2652 6.2652 7.4682 7.4682 10.9124 10.9124 11.6076 11.6076 k = 0.3333 0.3333-0.0000 ( 6487 PWs) bands (ev): -42.0256 -42.0256 -41.9972 -41.9972 -17.3760 -17.3760 -17.2714 -17.2714 -4.7140 -4.7140 -4.4501 -4.4501 -1.6873 -1.6873 -1.4514 -1.4514 -0.8657 -0.8657 -0.4295 -0.4295 6.2201 6.2201 7.5209 7.5209 10.9413 10.9413 11.7031 11.7031 k = 0.3254 0.3254-0.0000 ( 6487 PWs) bands (ev): -42.0269 -42.0269 -41.9961 -41.9961 -17.3811 -17.3811 -17.2674 -17.2674 -4.7227 -4.7227 -4.4351 -4.4351 -1.6826 -1.6826 -1.4237 -1.4237 -0.8912 -0.8912 -0.4206 -0.4206 6.1732 6.1732 7.5714 7.5714 10.9718 10.9718 11.8028 11.8028 k = 0.3175 0.3175-0.0000 ( 6487 PWs) bands (ev): -42.0283 -42.0283 -41.9949 -41.9949 -17.3863 -17.3863 -17.2633 -17.2633 -4.7316 -4.7316 -4.4196 -4.4196 -1.6779 -1.6779 -1.3950 -1.3950 -0.9167 -0.9167 -0.4116 -0.4116 6.1246 6.1246 7.6189 7.6189 11.0039 11.0039 11.9065 11.9065 k = 0.3095 0.3095-0.0000 ( 6491 PWs) bands (ev): -42.0298 -42.0298 -41.9937 -41.9937 -17.3917 -17.3917 -17.2592 -17.2592 -4.7408 -4.7408 -4.4035 -4.4035 -1.6730 -1.6730 -1.3651 -1.3651 -0.9423 -0.9423 -0.4023 -0.4023 6.0742 6.0742 7.6628 7.6628 11.0377 11.0377 12.0143 12.0143 k = 0.3016 0.3016-0.0000 ( 6495 PWs) bands (ev): -42.0312 -42.0312 -41.9925 -41.9925 -17.3972 -17.3972 -17.2549 -17.2549 -4.7500 -4.7500 -4.3870 -4.3870 -1.6681 -1.6681 -1.3341 -1.3341 -0.9678 -0.9678 -0.3929 -0.3929 6.0222 6.0222 7.7023 7.7023 11.0731 11.0731 12.1261 12.1261 k = 0.2937 0.2937-0.0000 ( 6497 PWs) bands (ev): -42.0327 -42.0327 -41.9913 -41.9913 -17.4027 -17.4027 -17.2506 -17.2506 -4.7595 -4.7595 -4.3701 -4.3701 -1.6631 -1.6631 -1.3021 -1.3021 -0.9932 -0.9932 -0.3833 -0.3833 5.9687 5.9687 7.7367 7.7367 11.1101 11.1101 12.1268 12.1268 k = 0.2857 0.2857-0.0000 ( 6501 PWs) bands (ev): -42.0342 -42.0342 -41.9900 -41.9900 -17.4083 -17.4083 -17.2462 -17.2462 -4.7690 -4.7690 -4.3527 -4.3527 -1.6580 -1.6580 -1.2690 -1.2690 -1.0185 -1.0185 -0.3735 -0.3735 5.9136 5.9136 7.7654 7.7654 11.1488 11.1488 12.0785 12.0785 k = 0.2778 0.2778-0.0000 ( 6501 PWs) bands (ev): -42.0357 -42.0357 -41.9888 -41.9888 -17.4140 -17.4140 -17.2417 -17.2417 -4.7786 -4.7786 -4.3350 -4.3350 -1.6530 -1.6530 -1.2350 -1.2350 -1.0435 -1.0435 -0.3637 -0.3637 5.8572 5.8572 7.7879 7.7879 11.1893 11.1893 12.0409 12.0409 k = 0.2698 0.2698-0.0000 ( 6501 PWs) bands (ev): -42.0372 -42.0372 -41.9875 -41.9875 -17.4198 -17.4198 -17.2373 -17.2373 -4.7884 -4.7884 -4.3169 -4.3169 -1.6479 -1.6479 -1.2001 -1.2001 -1.0682 -1.0682 -0.3537 -0.3537 5.7995 5.7995 7.8037 7.8037 11.2314 11.2314 12.0144 12.0144 k = 0.2619 0.2619-0.0000 ( 6499 PWs) bands (ev): -42.0387 -42.0387 -41.9862 -41.9862 -17.4255 -17.4255 -17.2328 -17.2328 -4.7981 -4.7981 -4.2985 -4.2985 -1.6428 -1.6428 -1.1643 -1.1643 -1.0925 -1.0925 -0.3437 -0.3437 5.7405 5.7405 7.8125 7.8125 11.2753 11.2753 11.9995 11.9995 k = 0.2540 0.2540-0.0000 ( 6495 PWs) bands (ev): -42.0403 -42.0403 -41.9849 -41.9849 -17.4313 -17.4313 -17.2283 -17.2283 -4.8079 -4.8079 -4.2798 -4.2798 -1.6377 -1.6377 -1.1277 -1.1277 -1.1164 -1.1164 -0.3337 -0.3337 5.6804 5.6804 7.8141 7.8141 11.3208 11.3208 11.9962 11.9962 k = 0.2460 0.2460-0.0000 ( 6487 PWs) bands (ev): -42.0418 -42.0418 -41.9836 -41.9836 -17.4371 -17.4371 -17.2238 -17.2238 -4.8177 -4.8177 -4.2609 -4.2609 -1.6327 -1.6327 -1.1401 -1.1401 -1.0901 -1.0901 -0.3237 -0.3237 5.6194 5.6194 7.8085 7.8085 11.3682 11.3682 12.0046 12.0046 k = 0.2381 0.2381-0.0000 ( 6491 PWs) bands (ev): -42.0433 -42.0433 -41.9823 -41.9823 -17.4428 -17.4428 -17.2193 -17.2193 -4.8274 -4.8274 -4.2418 -4.2418 -1.6277 -1.6277 -1.1632 -1.1632 -1.0519 -1.0519 -0.3136 -0.3136 5.5574 5.5574 7.7960 7.7960 11.4172 11.4172 12.0245 12.0245 k = 0.2302 0.2302-0.0000 ( 6483 PWs) bands (ev): -42.0449 -42.0449 -41.9811 -41.9811 -17.4486 -17.4486 -17.2148 -17.2148 -4.8371 -4.8371 -4.2225 -4.2225 -1.6227 -1.6227 -1.1858 -1.1858 -1.0131 -1.0131 -0.3036 -0.3036 5.4947 5.4947 7.7769 7.7769 11.4680 11.4680 12.0555 12.0555 k = 0.2222 0.2222-0.0000 ( 6487 PWs) bands (ev): -42.0464 -42.0464 -41.9798 -41.9798 -17.4543 -17.4543 -17.2103 -17.2103 -4.8467 -4.8467 -4.2031 -4.2031 -1.6178 -1.6178 -1.2079 -1.2079 -0.9736 -0.9736 -0.2937 -0.2937 5.4314 5.4314 7.7515 7.7515 11.5204 11.5204 12.0971 12.0971 k = 0.2143 0.2143-0.0000 ( 6485 PWs) bands (ev): -42.0479 -42.0479 -41.9785 -41.9785 -17.4599 -17.4599 -17.2059 -17.2059 -4.8563 -4.8563 -4.1836 -4.1836 -1.6130 -1.6130 -1.2294 -1.2294 -0.9337 -0.9337 -0.2839 -0.2839 5.3675 5.3675 7.7205 7.7205 11.5746 11.5746 12.1488 12.1488 k = 0.2063 0.2063-0.0000 ( 6485 PWs) bands (ev): -42.0494 -42.0494 -41.9773 -41.9773 -17.4655 -17.4655 -17.2016 -17.2016 -4.8657 -4.8657 -4.1641 -4.1641 -1.6082 -1.6082 -1.2503 -1.2503 -0.8933 -0.8933 -0.2741 -0.2741 5.3034 5.3034 7.6845 7.6845 11.6305 11.6305 12.2099 12.2099 k = 0.1984 0.1984-0.0000 ( 6479 PWs) bands (ev): -42.0509 -42.0509 -41.9760 -41.9760 -17.4710 -17.4710 -17.1973 -17.1973 -4.8749 -4.8749 -4.1446 -4.1446 -1.6036 -1.6036 -1.2706 -1.2706 -0.8525 -0.8525 -0.2645 -0.2645 5.2390 5.2390 7.6442 7.6442 11.6880 11.6880 12.2796 12.2796 k = 0.1905 0.1905-0.0000 ( 6475 PWs) bands (ev): -42.0523 -42.0523 -41.9748 -41.9748 -17.4764 -17.4764 -17.1931 -17.1931 -4.8840 -4.8840 -4.1252 -4.1252 -1.5991 -1.5991 -1.2903 -1.2903 -0.8115 -0.8115 -0.2551 -0.2551 5.1747 5.1747 7.6003 7.6003 11.7472 11.7472 12.3572 12.3572 k = 0.1825 0.1825-0.0000 ( 6471 PWs) bands (ev): -42.0537 -42.0537 -41.9736 -41.9736 -17.4817 -17.4817 -17.1889 -17.1889 -4.8929 -4.8929 -4.1059 -4.1059 -1.5947 -1.5947 -1.3094 -1.3094 -0.7704 -0.7704 -0.2459 -0.2459 5.1105 5.1105 7.5535 7.5535 11.8079 11.8079 12.4420 12.4420 k = 0.1746 0.1746-0.0000 ( 6471 PWs) bands (ev): -42.0551 -42.0551 -41.9725 -41.9725 -17.4868 -17.4868 -17.1849 -17.1849 -4.9016 -4.9016 -4.0868 -4.0868 -1.5904 -1.5904 -1.3278 -1.3278 -0.7292 -0.7292 -0.2368 -0.2368 5.0467 5.0467 7.5044 7.5044 11.8701 11.8701 12.5331 12.5331 k = 0.1667 0.1667-0.0000 ( 6471 PWs) bands (ev): -42.0565 -42.0565 -41.9713 -41.9713 -17.4919 -17.4919 -17.1810 -17.1810 -4.9101 -4.9101 -4.0679 -4.0679 -1.5862 -1.5862 -1.3456 -1.3456 -0.6881 -0.6881 -0.2280 -0.2280 4.9833 4.9833 7.4537 7.4537 11.9338 11.9338 12.6298 12.6298 k = 0.1587 0.1587-0.0000 ( 6471 PWs) bands (ev): -42.0578 -42.0578 -41.9702 -41.9702 -17.4968 -17.4968 -17.1772 -17.1772 -4.9183 -4.9183 -4.0493 -4.0493 -1.5822 -1.5822 -1.3627 -1.3627 -0.6472 -0.6472 -0.2194 -0.2194 4.9207 4.9207 7.4021 7.4021 11.9988 11.9988 12.7315 12.7315 k = 0.1508 0.1508-0.0000 ( 6459 PWs) bands (ev): -42.0590 -42.0590 -41.9691 -41.9691 -17.5015 -17.5015 -17.1735 -17.1735 -4.9262 -4.9262 -4.0311 -4.0311 -1.5784 -1.5784 -1.3791 -1.3791 -0.6067 -0.6067 -0.2111 -0.2111 4.8591 4.8591 7.3500 7.3500 12.0650 12.0650 12.8373 12.8373 k = 0.1429 0.1429-0.0000 ( 6471 PWs) bands (ev): -42.0603 -42.0603 -41.9681 -41.9681 -17.5060 -17.5060 -17.1699 -17.1699 -4.9339 -4.9339 -4.0133 -4.0133 -1.5747 -1.5747 -1.3947 -1.3947 -0.5667 -0.5667 -0.2031 -0.2031 4.7985 4.7985 7.2981 7.2981 12.1324 12.1324 12.9467 12.9467 k = 0.1349 0.1349-0.0000 ( 6473 PWs) bands (ev): -42.0614 -42.0614 -41.9671 -41.9671 -17.5104 -17.5104 -17.1665 -17.1665 -4.9413 -4.9413 -3.9960 -3.9960 -1.5712 -1.5712 -1.4097 -1.4097 -0.5273 -0.5273 -0.1954 -0.1954 4.7394 4.7394 7.2467 7.2467 12.2007 12.2007 13.0591 13.0591 k = 0.1270 0.1270-0.0000 ( 6481 PWs) bands (ev): -42.0626 -42.0626 -41.9662 -41.9662 -17.5146 -17.5146 -17.1633 -17.1633 -4.9483 -4.9483 -3.9792 -3.9792 -1.5678 -1.5678 -1.4238 -1.4238 -0.4887 -0.4887 -0.1881 -0.1881 4.6818 4.6818 7.1963 7.1963 12.2698 12.2698 13.1736 13.1736 k = 0.1190 0.1190-0.0000 ( 6485 PWs) bands (ev): -42.0636 -42.0636 -41.9653 -41.9653 -17.5186 -17.5186 -17.1602 -17.1602 -4.9550 -4.9550 -3.9630 -3.9630 -1.5647 -1.5647 -1.4373 -1.4373 -0.4511 -0.4511 -0.1810 -0.1810 4.6260 4.6260 7.1473 7.1473 12.3394 12.3394 13.2897 13.2897 k = 0.1111 0.1111-0.0000 ( 6489 PWs) bands (ev): -42.0647 -42.0647 -41.9644 -41.9644 -17.5224 -17.5224 -17.1572 -17.1572 -4.9613 -4.9613 -3.9474 -3.9474 -1.5618 -1.5618 -1.4499 -1.4499 -0.4147 -0.4147 -0.1744 -0.1744 4.5722 4.5722 7.1000 7.1000 12.4093 12.4093 13.4068 13.4068 k = 0.1032 0.1032-0.0000 ( 6489 PWs) bands (ev): -42.0656 -42.0656 -41.9636 -41.9636 -17.5259 -17.5259 -17.1544 -17.1544 -4.9673 -4.9673 -3.9326 -3.9326 -1.5590 -1.5590 -1.4618 -1.4618 -0.3796 -0.3796 -0.1681 -0.1681 4.5207 4.5207 7.0548 7.0548 12.4791 12.4791 13.5240 13.5240 k = 0.0952 0.0952-0.0000 ( 6495 PWs) bands (ev): -42.0665 -42.0665 -41.9629 -41.9629 -17.5292 -17.5292 -17.1518 -17.1518 -4.9729 -4.9729 -3.9186 -3.9186 -1.5565 -1.5565 -1.4728 -1.4728 -0.3460 -0.3460 -0.1622 -0.1622 4.4718 4.4718 7.0120 7.0120 12.5486 12.5486 13.6405 13.6405 k = 0.0873 0.0873-0.0000 ( 6485 PWs) bands (ev): -42.0674 -42.0674 -41.9621 -41.9621 -17.5323 -17.5323 -17.1494 -17.1494 -4.9780 -4.9780 -3.9054 -3.9054 -1.5542 -1.5542 -1.4830 -1.4830 -0.3142 -0.3142 -0.1566 -0.1566 4.4256 4.4256 6.9717 6.9717 12.6171 12.6171 13.7555 13.7555 k = 0.0794 0.0794-0.0000 ( 6491 PWs) bands (ev): -42.0681 -42.0681 -41.9615 -41.9615 -17.5352 -17.5352 -17.1472 -17.1472 -4.9828 -4.9828 -3.8932 -3.8932 -1.5522 -1.5522 -1.4923 -1.4923 -0.2844 -0.2844 -0.1515 -0.1515 4.3824 4.3824 6.9343 6.9343 12.6843 12.6843 13.8677 13.8678 k = 0.0714 0.0714-0.0000 ( 6495 PWs) bands (ev): -42.0688 -42.0688 -41.9609 -41.9609 -17.5378 -17.5378 -17.1452 -17.1452 -4.9872 -4.9872 -3.8819 -3.8819 -1.5505 -1.5505 -1.5006 -1.5006 -0.2568 -0.2568 -0.1467 -0.1467 4.3425 4.3425 6.8998 6.8998 12.7494 12.7494 13.9760 13.9760 k = 0.0635 0.0635-0.0000 ( 6491 PWs) bands (ev): -42.0695 -42.0695 -41.9604 -41.9604 -17.5401 -17.5401 -17.1434 -17.1434 -4.9911 -4.9911 -3.8717 -3.8717 -1.5490 -1.5490 -1.5081 -1.5081 -0.2315 -0.2315 -0.1423 -0.1423 4.3061 4.3061 6.8686 6.8686 12.8118 12.8118 14.0787 14.0788 k = 0.0556 0.0556-0.0000 ( 6491 PWs) bands (ev): -42.0700 -42.0700 -41.9599 -41.9599 -17.5422 -17.5422 -17.1418 -17.1418 -4.9946 -4.9946 -3.8625 -3.8625 -1.5479 -1.5479 -1.5145 -1.5145 -0.2088 -0.2088 -0.1383 -0.1383 4.2733 4.2733 6.8407 6.8407 12.8706 12.8706 14.1741 14.1741 k = 0.0476 0.0476-0.0000 ( 6495 PWs) bands (ev): -42.0705 -42.0705 -41.9595 -41.9595 -17.5440 -17.5440 -17.1403 -17.1403 -4.9976 -4.9976 -3.8544 -3.8544 -1.5472 -1.5472 -1.5198 -1.5198 -0.1890 -0.1890 -0.1345 -0.1345 4.2444 4.2444 6.8162 6.8162 12.9248 12.9248 14.2602 14.2602 k = 0.0397 0.0397-0.0000 ( 6497 PWs) bands (ev): -42.0709 -42.0709 -41.9591 -41.9591 -17.5455 -17.5455 -17.1391 -17.1391 -5.0002 -5.0002 -3.8475 -3.8475 -1.5470 -1.5470 -1.5240 -1.5240 -0.1723 -0.1723 -0.1309 -0.1309 4.2197 4.2197 6.7954 6.7954 12.9734 12.9734 14.3350 14.3350 k = 0.0317 0.0317-0.0000 ( 6493 PWs) bands (ev): -42.0713 -42.0713 -41.9588 -41.9588 -17.5468 -17.5468 -17.1382 -17.1382 -5.0023 -5.0023 -3.8419 -3.8419 -1.5472 -1.5472 -1.5270 -1.5270 -0.1591 -0.1591 -0.1274 -0.1274 4.1991 4.1991 6.7782 6.7782 13.0154 13.0154 14.3970 14.3970 k = 0.0238 0.0238-0.0000 ( 6483 PWs) bands (ev): -42.0715 -42.0715 -41.9586 -41.9586 -17.5478 -17.5478 -17.1374 -17.1374 -5.0040 -5.0040 -3.8374 -3.8374 -1.5477 -1.5477 -1.5291 -1.5291 -0.1496 -0.1496 -0.1237 -0.1237 4.1830 4.1830 6.7647 6.7647 13.0495 13.0495 14.4451 14.4451 k = 0.0159 0.0159-0.0000 ( 6491 PWs) bands (ev): -42.0717 -42.0717 -41.9584 -41.9584 -17.5485 -17.5485 -17.1368 -17.1368 -5.0051 -5.0051 -3.8342 -3.8342 -1.5483 -1.5483 -1.5303 -1.5303 -0.1435 -0.1435 -0.1203 -0.1203 4.1714 4.1714 6.7551 6.7551 13.0747 13.0747 14.4789 14.4790 k = 0.0079 0.0079-0.0000 ( 6513 PWs) bands (ev): -42.0719 -42.0719 -41.9583 -41.9583 -17.5489 -17.5489 -17.1365 -17.1365 -5.0059 -5.0059 -3.8323 -3.8323 -1.5488 -1.5488 -1.5309 -1.5309 -0.1403 -0.1403 -0.1177 -0.1177 4.1645 4.1645 6.7493 6.7493 13.0902 13.0902 14.4975 14.4984 k = 0.0000 0.0000 0.0000 ( 6519 PWs) bands (ev): -42.0719 -42.0719 -41.9583 -41.9583 -17.5490 -17.5490 -17.1364 -17.1364 -5.0061 -5.0061 -3.8316 -3.8316 -1.5489 -1.5489 -1.5311 -1.5311 -0.1393 -0.1393 -0.1168 -0.1168 4.1621 4.1621 6.7473 6.7473 13.0955 13.0955 14.5015 14.5034 k = 0.0000 0.0000 0.0000 ( 6519 PWs) bands (ev): -42.0719 -42.0719 -41.9583 -41.9583 -17.5490 -17.5490 -17.1364 -17.1364 -5.0061 -5.0061 -3.8316 -3.8316 -1.5489 -1.5489 -1.5311 -1.5311 -0.1393 -0.1393 -0.1168 -0.1168 4.1621 4.1621 6.7473 6.7473 13.0955 13.0955 14.5015 14.5018 k = 0.0000 0.0000 0.0111 ( 6511 PWs) bands (ev): -42.0719 -42.0719 -41.9583 -41.9583 -17.5489 -17.5489 -17.1366 -17.1366 -5.0060 -5.0060 -3.8327 -3.8327 -1.5486 -1.5486 -1.5308 -1.5308 -0.1397 -0.1397 -0.1171 -0.1171 4.1639 4.1639 6.7499 6.7499 13.0919 13.0919 14.5009 14.5010 k = 0.0000 0.0000 0.0221 ( 6499 PWs) bands (ev): -42.0719 -42.0719 -41.9583 -41.9583 -17.5483 -17.5483 -17.1371 -17.1371 -5.0058 -5.0058 -3.8357 -3.8357 -1.5477 -1.5477 -1.5298 -1.5298 -0.1407 -0.1407 -0.1182 -0.1182 4.1693 4.1693 6.7577 6.7577 13.0812 13.0812 14.4993 14.4994 k = 0.0000 0.0000 0.0332 ( 6491 PWs) bands (ev): -42.0719 -42.0719 -41.9583 -41.9583 -17.5473 -17.5473 -17.1380 -17.1380 -5.0054 -5.0054 -3.8409 -3.8409 -1.5461 -1.5461 -1.5282 -1.5282 -0.1425 -0.1425 -0.1199 -0.1199 4.1782 4.1782 6.7706 6.7706 13.0638 13.0638 14.4965 14.4968 k = 0.0000 0.0000 0.0442 ( 6483 PWs) bands (ev): -42.0719 -42.0719 -41.9583 -41.9583 -17.5460 -17.5460 -17.1392 -17.1392 -5.0049 -5.0049 -3.8480 -3.8480 -1.5438 -1.5438 -1.5259 -1.5259 -0.1449 -0.1449 -0.1224 -0.1224 4.1906 4.1906 6.7886 6.7886 13.0404 13.0404 14.4926 14.4932 k = 0.0000 0.0000 0.0553 ( 6487 PWs) bands (ev): -42.0719 -42.0719 -41.9583 -41.9583 -17.5443 -17.5443 -17.1407 -17.1407 -5.0041 -5.0041 -3.8571 -3.8571 -1.5410 -1.5410 -1.5231 -1.5231 -0.1480 -0.1480 -0.1255 -0.1255 4.2064 4.2064 6.8117 6.8117 13.0115 13.0115 14.4861 14.4862 k = 0.0000 0.0000 0.0663 ( 6503 PWs) bands (ev): -42.0719 -42.0719 -41.9583 -41.9583 -17.5422 -17.5422 -17.1426 -17.1426 -5.0032 -5.0032 -3.8680 -3.8680 -1.5375 -1.5375 -1.5196 -1.5196 -0.1518 -0.1518 -0.1293 -0.1293 4.2255 4.2255 6.8399 6.8399 12.9781 12.9781 14.4411 14.4411 k = 0.0000 0.0000 0.0774 ( 6503 PWs) bands (ev): -42.0719 -42.0719 -41.9584 -41.9584 -17.5397 -17.5397 -17.1448 -17.1448 -5.0021 -5.0021 -3.8808 -3.8808 -1.5335 -1.5335 -1.5156 -1.5156 -0.1562 -0.1562 -0.1337 -0.1337 4.2478 4.2478 6.8730 6.8730 12.9410 12.9410 14.3689 14.3689 k = 0.0000 0.0000 0.0885 ( 6503 PWs) bands (ev): -42.0719 -42.0719 -41.9584 -41.9584 -17.5369 -17.5369 -17.1474 -17.1474 -5.0007 -5.0007 -3.8954 -3.8954 -1.5288 -1.5288 -1.5109 -1.5109 -0.1613 -0.1613 -0.1388 -0.1388 4.2730 4.2730 6.9109 6.9109 12.9009 12.9009 14.2896 14.2896 k = 0.0000 0.0000 0.0995 ( 6491 PWs) bands (ev): -42.0718 -42.0718 -41.9583 -41.9583 -17.5337 -17.5337 -17.1502 -17.1502 -4.9991 -4.9991 -3.9116 -3.9116 -1.5236 -1.5236 -1.5057 -1.5057 -0.1669 -0.1669 -0.1445 -0.1445 4.3012 4.3012 6.9537 6.9537 12.8585 12.8585 14.2047 14.2047 k = 0.0000 0.0000 0.1106 ( 6499 PWs) bands (ev): -42.0718 -42.0718 -41.9583 -41.9583 -17.5302 -17.5302 -17.1534 -17.1534 -4.9972 -4.9972 -3.9294 -3.9294 -1.5179 -1.5179 -1.5000 -1.5000 -0.1732 -0.1732 -0.1508 -0.1508 4.3320 4.3320 7.0011 7.0011 12.8145 12.8145 14.1154 14.1154 k = 0.0000 0.0000 0.1216 ( 6491 PWs) bands (ev): -42.0718 -42.0718 -41.9583 -41.9583 -17.5263 -17.5263 -17.1570 -17.1570 -4.9950 -4.9950 -3.9486 -3.9486 -1.5117 -1.5117 -1.4937 -1.4937 -0.1800 -0.1800 -0.1576 -0.1576 4.3654 4.3654 7.0530 7.0530 12.7694 12.7694 14.0225 14.0225 k = 0.0000 0.0000 0.1327 ( 6483 PWs) bands (ev): -42.0718 -42.0718 -41.9583 -41.9583 -17.5221 -17.5221 -17.1608 -17.1608 -4.9925 -4.9925 -3.9692 -3.9692 -1.5050 -1.5050 -1.4870 -1.4870 -0.1872 -0.1872 -0.1649 -0.1649 4.4009 4.4009 7.1094 7.1094 12.7237 12.7237 13.9267 13.9267 k = 0.0000 0.0000 0.1437 ( 6491 PWs) bands (ev): -42.0718 -42.0718 -41.9583 -41.9583 -17.5175 -17.5175 -17.1650 -17.1650 -4.9896 -4.9896 -3.9911 -3.9911 -1.4979 -1.4979 -1.4798 -1.4798 -0.1950 -0.1950 -0.1727 -0.1727 4.4385 4.4385 7.1700 7.1700 12.6779 12.6779 13.8287 13.8287 k = 0.0000 0.0000 0.1548 ( 6491 PWs) bands (ev): -42.0718 -42.0718 -41.9583 -41.9583 -17.5127 -17.5127 -17.1694 -17.1694 -4.9863 -4.9863 -4.0140 -4.0140 -1.4903 -1.4903 -1.4723 -1.4723 -0.2032 -0.2032 -0.1809 -0.1809 4.4779 4.4779 7.2346 7.2346 12.6323 12.6323 13.7290 13.7290 k = 0.0000 0.0000 0.1658 ( 6491 PWs) bands (ev): -42.0718 -42.0718 -41.9583 -41.9583 -17.5075 -17.5075 -17.1741 -17.1741 -4.9826 -4.9826 -4.0379 -4.0379 -1.4824 -1.4824 -1.4643 -1.4643 -0.2118 -0.2118 -0.1895 -0.1895 4.5188 4.5188 7.3031 7.3031 12.5873 12.5873 13.6281 13.6281 k = 0.0000 0.0000 0.1769 ( 6495 PWs) bands (ev): -42.0718 -42.0718 -41.9583 -41.9583 -17.5020 -17.5020 -17.1792 -17.1792 -4.9785 -4.9785 -4.0627 -4.0627 -1.4742 -1.4742 -1.4560 -1.4560 -0.2207 -0.2207 -0.1985 -0.1985 4.5610 4.5610 7.3753 7.3753 12.5430 12.5430 13.5265 13.5265 k = 0.0000 0.0000 0.1880 ( 6494 PWs) bands (ev): -42.0718 -42.0718 -41.9583 -41.9583 -17.4963 -17.4963 -17.1845 -17.1845 -4.9739 -4.9739 -4.0882 -4.0882 -1.4656 -1.4656 -1.4475 -1.4475 -0.2300 -0.2300 -0.2078 -0.2078 4.6041 4.6041 7.4508 7.4508 12.4998 12.4998 13.4245 13.4245 k = 0.0000 0.0000 0.1990 ( 6490 PWs) bands (ev): -42.0718 -42.0718 -41.9583 -41.9583 -17.4903 -17.4903 -17.1901 -17.1901 -4.9688 -4.9688 -4.1143 -4.1143 -1.4569 -1.4569 -1.4387 -1.4387 -0.2394 -0.2394 -0.2173 -0.2173 4.6479 4.6479 7.5294 7.5294 12.4578 12.4578 13.3224 13.3224 k = 0.0000 0.0000 0.2101 ( 6482 PWs) bands (ev): -42.0718 -42.0718 -41.9583 -41.9583 -17.4840 -17.4840 -17.1959 -17.1959 -4.9632 -4.9632 -4.1409 -4.1409 -1.4480 -1.4480 -1.4298 -1.4298 -0.2491 -0.2491 -0.2270 -0.2270 4.6921 4.6921 7.6108 7.6108 12.4173 12.4173 13.2206 13.2206 k = 0.0000 0.0000 0.2211 ( 6502 PWs) bands (ev): -42.0718 -42.0718 -41.9583 -41.9583 -17.4774 -17.4774 -17.2020 -17.2020 -4.9571 -4.9571 -4.1678 -4.1678 -1.4389 -1.4389 -1.4207 -1.4207 -0.2588 -0.2588 -0.2368 -0.2368 4.7363 4.7363 7.6947 7.6947 12.3783 12.3783 13.1193 13.1193 k = 0.0000 0.0000 0.2322 ( 6498 PWs) bands (ev): -42.0718 -42.0718 -41.9583 -41.9583 -17.4707 -17.4707 -17.2083 -17.2083 -4.9505 -4.9505 -4.1949 -4.1949 -1.4298 -1.4298 -1.4116 -1.4116 -0.2686 -0.2686 -0.2466 -0.2466 4.7803 4.7803 7.7805 7.7805 12.3411 12.3411 13.0189 13.0189 k = 0.0000 0.0000 0.2432 ( 6498 PWs) bands (ev): -42.0718 -42.0718 -41.9583 -41.9583 -17.4637 -17.4637 -17.2149 -17.2149 -4.9433 -4.9433 -4.2221 -4.2221 -1.4208 -1.4208 -1.4025 -1.4025 -0.2784 -0.2784 -0.2564 -0.2564 4.8238 4.8238 7.8680 7.8680 12.3056 12.3056 12.9196 12.9196 k = 0.0000 0.0000 0.2543 ( 6498 PWs) bands (ev): -42.0718 -42.0718 -41.9583 -41.9583 -17.4565 -17.4565 -17.2216 -17.2216 -4.9356 -4.9356 -4.2491 -4.2491 -1.4118 -1.4118 -1.3934 -1.3934 -0.2881 -0.2881 -0.2662 -0.2662 4.8664 4.8664 7.9565 7.9565 12.2721 12.2721 12.8217 12.8217 k = 0.0000 0.0000 0.2654 ( 6490 PWs) bands (ev): -42.0717 -42.0717 -41.9583 -41.9583 -17.4491 -17.4491 -17.2286 -17.2286 -4.9274 -4.9274 -4.2760 -4.2760 -1.4029 -1.4029 -1.3846 -1.3846 -0.2976 -0.2976 -0.2757 -0.2757 4.9078 4.9078 8.0455 8.0455 12.2405 12.2405 12.7256 12.7256 k = 0.0000 0.0000 0.2764 ( 6506 PWs) bands (ev): -42.0717 -42.0717 -41.9583 -41.9583 -17.4416 -17.4416 -17.2357 -17.2357 -4.9187 -4.9187 -4.3024 -4.3024 -1.3943 -1.3943 -1.3759 -1.3759 -0.3069 -0.3069 -0.2850 -0.2850 4.9477 4.9477 8.1344 8.1344 12.2111 12.2111 12.6316 12.6316 k = 0.0000 0.0000 0.2875 ( 6506 PWs) bands (ev): -42.0717 -42.0717 -41.9583 -41.9583 -17.4340 -17.4340 -17.2430 -17.2430 -4.9095 -4.9095 -4.3283 -4.3283 -1.3860 -1.3860 -1.3676 -1.3676 -0.3158 -0.3158 -0.2940 -0.2940 4.9858 4.9858 8.2224 8.2224 12.1838 12.1838 12.5402 12.5402 k = 0.0000 0.0000 0.2985 ( 6506 PWs) bands (ev): -42.0717 -42.0717 -41.9583 -41.9583 -17.4262 -17.4262 -17.2504 -17.2504 -4.9000 -4.9000 -4.3535 -4.3535 -1.3780 -1.3780 -1.3596 -1.3596 -0.3243 -0.3243 -0.3025 -0.3025 5.0218 5.0218 8.3087 8.3087 12.1587 12.1587 12.4519 12.4519 k = 0.0000 0.0000 0.3096 ( 6498 PWs) bands (ev): -42.0717 -42.0717 -41.9583 -41.9583 -17.4183 -17.4183 -17.2579 -17.2579 -4.8902 -4.8902 -4.3778 -4.3778 -1.3705 -1.3705 -1.3521 -1.3521 -0.3323 -0.3323 -0.3106 -0.3106 5.0554 5.0554 8.3924 8.3924 12.1358 12.1358 12.3674 12.3674 k = 0.0000 0.0000 0.3206 ( 6490 PWs) bands (ev): -42.0717 -42.0717 -41.9583 -41.9583 -17.4104 -17.4104 -17.2656 -17.2656 -4.8803 -4.8803 -4.4010 -4.4010 -1.3636 -1.3636 -1.3451 -1.3451 -0.3398 -0.3398 -0.3181 -0.3181 5.0863 5.0863 8.4724 8.4724 12.1153 12.1153 12.2874 12.2874 k = 0.0000 0.0000 0.3317 ( 6482 PWs) bands (ev): -42.0717 -42.0717 -41.9583 -41.9583 -17.4025 -17.4025 -17.2732 -17.2732 -4.8704 -4.8704 -4.4227 -4.4227 -1.3572 -1.3572 -1.3387 -1.3387 -0.3466 -0.3466 -0.3249 -0.3249 5.1142 5.1142 8.5475 8.5475 12.0970 12.0970 12.2128 12.2128 k = 0.0000 0.0000 0.3428 ( 6482 PWs) bands (ev): -42.0717 -42.0717 -41.9583 -41.9583 -17.3946 -17.3946 -17.2808 -17.2808 -4.8608 -4.8608 -4.4428 -4.4428 -1.3515 -1.3515 -1.3330 -1.3330 -0.3526 -0.3526 -0.3310 -0.3310 5.1390 5.1390 8.6166 8.6166 12.0812 12.0812 12.1448 12.1448 k = 0.0000 0.0000 0.3538 ( 6490 PWs) bands (ev): -42.0717 -42.0717 -41.9583 -41.9583 -17.3869 -17.3869 -17.2884 -17.2884 -4.8516 -4.8516 -4.4609 -4.4609 -1.3466 -1.3466 -1.3280 -1.3280 -0.3579 -0.3579 -0.3363 -0.3363 5.1603 5.1603 8.6783 8.6783 12.0677 12.0677 12.0843 12.0843 k = 0.0000 0.0000 0.3649 ( 6482 PWs) bands (ev): -42.0717 -42.0717 -41.9583 -41.9583 -17.3795 -17.3795 -17.2956 -17.2956 -4.8433 -4.8433 -4.4766 -4.4766 -1.3425 -1.3425 -1.3239 -1.3239 -0.3623 -0.3623 -0.3407 -0.3407 5.1780 5.1780 8.7312 8.7312 12.0325 12.0325 12.0567 12.0567 k = 0.0000 0.0000 0.3759 ( 6474 PWs) bands (ev): -42.0717 -42.0717 -41.9583 -41.9583 -17.3726 -17.3726 -17.3024 -17.3024 -4.8362 -4.8362 -4.4894 -4.4894 -1.3392 -1.3392 -1.3206 -1.3206 -0.3658 -0.3658 -0.3442 -0.3442 5.1920 5.1920 8.7740 8.7740 11.9907 11.9907 12.0481 12.0481 k = 0.0000 0.0000 0.3870 ( 6474 PWs) bands (ev): -42.0717 -42.0717 -41.9583 -41.9583 -17.3666 -17.3666 -17.3082 -17.3082 -4.8308 -4.8308 -4.4990 -4.4990 -1.3368 -1.3368 -1.3183 -1.3183 -0.3683 -0.3683 -0.3467 -0.3467 5.2021 5.2021 8.8056 8.8056 11.9600 11.9600 12.0419 12.0419 k = 0.0000 0.0000 0.3980 ( 6442 PWs) bands (ev): -42.0717 -42.0717 -41.9583 -41.9583 -17.3624 -17.3624 -17.3124 -17.3124 -4.8273 -4.8273 -4.5050 -4.5050 -1.3354 -1.3354 -1.3168 -1.3168 -0.3698 -0.3698 -0.3482 -0.3482 5.2082 5.2082 8.8249 8.8249 11.9411 11.9411 12.0382 12.0382 k = 0.0000 0.0000 0.4091 ( 6418 PWs) bands (ev): -42.0717 -42.0717 -41.9583 -41.9583 -17.3608 -17.3608 -17.3140 -17.3140 -4.8262 -4.8262 -4.5070 -4.5070 -1.3349 -1.3349 -1.3163 -1.3163 -0.3703 -0.3703 -0.3488 -0.3488 5.2102 5.2102 8.8314 8.8314 11.9348 11.9348 12.0370 12.0370 k = 0.0000 0.0000 0.4091 ( 6418 PWs) bands (ev): -42.0717 -42.0717 -41.9583 -41.9583 -17.3608 -17.3608 -17.3140 -17.3140 -4.8262 -4.8262 -4.5070 -4.5070 -1.3349 -1.3349 -1.3163 -1.3163 -0.3703 -0.3703 -0.3488 -0.3488 5.2102 5.2102 8.8314 8.8314 11.9348 11.9348 12.0370 12.0370 k = 0.0000 0.0111 0.4091 ( 6450 PWs) bands (ev): -42.0717 -42.0717 -41.9583 -41.9583 -17.3608 -17.3608 -17.3139 -17.3139 -4.8263 -4.8263 -4.5076 -4.5076 -1.3346 -1.3346 -1.3160 -1.3160 -0.3708 -0.3708 -0.3492 -0.3492 5.2116 5.2116 8.8330 8.8330 11.9356 11.9356 12.0318 12.0318 k = 0.0000 0.0222 0.4091 ( 6466 PWs) bands (ev): -42.0715 -42.0715 -41.9584 -41.9584 -17.3606 -17.3606 -17.3139 -17.3139 -4.8266 -4.8266 -4.5094 -4.5094 -1.3335 -1.3335 -1.3149 -1.3149 -0.3723 -0.3723 -0.3506 -0.3506 5.2157 5.2157 8.8377 8.8377 11.9382 11.9382 12.0163 12.0163 k = 0.0000 0.0333 0.4091 ( 6470 PWs) bands (ev): -42.0714 -42.0714 -41.9586 -41.9586 -17.3604 -17.3604 -17.3139 -17.3139 -4.8272 -4.8272 -4.5124 -4.5124 -1.3317 -1.3317 -1.3131 -1.3131 -0.3750 -0.3750 -0.3526 -0.3526 5.2225 5.2225 8.8456 8.8456 11.9424 11.9424 11.9905 11.9905 k = 0.0000 0.0444 0.4091 ( 6478 PWs) bands (ev): -42.0711 -42.0711 -41.9588 -41.9588 -17.3601 -17.3601 -17.3138 -17.3138 -4.8280 -4.8280 -4.5165 -4.5165 -1.3293 -1.3293 -1.3106 -1.3106 -0.3791 -0.3791 -0.3551 -0.3551 5.2321 5.2321 8.8565 8.8565 11.9482 11.9482 11.9546 11.9546 k = 0.0000 0.0556 0.4091 ( 6470 PWs) bands (ev): -42.0708 -42.0708 -41.9591 -41.9591 -17.3597 -17.3597 -17.3137 -17.3137 -4.8290 -4.8290 -4.5218 -4.5218 -1.3262 -1.3262 -1.3074 -1.3074 -0.3849 -0.3849 -0.3577 -0.3577 5.2444 5.2444 8.8706 8.8706 11.9086 11.9086 11.9557 11.9557 k = 0.0000 0.0667 0.4091 ( 6478 PWs) bands (ev): -42.0704 -42.0704 -41.9594 -41.9594 -17.3592 -17.3592 -17.3136 -17.3136 -4.8302 -4.8302 -4.5282 -4.5282 -1.3225 -1.3225 -1.3035 -1.3035 -0.3925 -0.3925 -0.3604 -0.3604 5.2595 5.2595 8.8876 8.8876 11.8530 11.8530 11.9648 11.9648 k = 0.0000 0.0778 0.4091 ( 6486 PWs) bands (ev): -42.0699 -42.0699 -41.9599 -41.9599 -17.3587 -17.3587 -17.3135 -17.3135 -4.8317 -4.8317 -4.5355 -4.5355 -1.3183 -1.3183 -1.2988 -1.2988 -0.4017 -0.4017 -0.3632 -0.3632 5.2772 5.2772 8.9077 8.9077 11.7885 11.7885 11.9755 11.9755 k = 0.0000 0.0889 0.4091 ( 6492 PWs) bands (ev): -42.0693 -42.0693 -41.9603 -41.9603 -17.3581 -17.3581 -17.3133 -17.3133 -4.8334 -4.8334 -4.5439 -4.5439 -1.3136 -1.3136 -1.2934 -1.2934 -0.4126 -0.4126 -0.3659 -0.3659 5.2976 5.2976 8.9307 8.9307 11.7157 11.7157 11.9877 11.9877 k = 0.0000 0.1000 0.4091 ( 6500 PWs) bands (ev): -42.0687 -42.0687 -41.9609 -41.9609 -17.3573 -17.3573 -17.3132 -17.3132 -4.8353 -4.8353 -4.5532 -4.5532 -1.3084 -1.3084 -1.2873 -1.2873 -0.4249 -0.4249 -0.3689 -0.3689 5.3208 5.3208 8.9566 8.9566 11.6356 11.6356 12.0013 12.0013 k = 0.0000 0.1111 0.4091 ( 6504 PWs) bands (ev): -42.0680 -42.0680 -41.9615 -41.9615 -17.3566 -17.3566 -17.3130 -17.3130 -4.8374 -4.8374 -4.5634 -4.5634 -1.3030 -1.3030 -1.2803 -1.2803 -0.4387 -0.4387 -0.3720 -0.3720 5.3466 5.3466 8.9852 8.9852 11.5489 11.5489 12.0164 12.0164 k = 0.0000 0.1222 0.4091 ( 6508 PWs) bands (ev): -42.0673 -42.0673 -41.9621 -41.9621 -17.3557 -17.3557 -17.3128 -17.3128 -4.8396 -4.8396 -4.5743 -4.5743 -1.2972 -1.2972 -1.2726 -1.2726 -0.4537 -0.4537 -0.3754 -0.3754 5.3750 5.3750 9.0166 9.0166 11.4567 11.4567 12.0328 12.0328 k = 0.0000 0.1333 0.4091 ( 6504 PWs) bands (ev): -42.0664 -42.0664 -41.9628 -41.9628 -17.3548 -17.3548 -17.3126 -17.3126 -4.8421 -4.8421 -4.5859 -4.5859 -1.2912 -1.2912 -1.2641 -1.2641 -0.4698 -0.4698 -0.3790 -0.3790 5.4061 5.4061 9.0506 9.0506 11.3598 11.3598 12.0505 12.0505 k = 0.0000 0.1444 0.4091 ( 6516 PWs) bands (ev): -42.0655 -42.0655 -41.9636 -41.9636 -17.3538 -17.3538 -17.3124 -17.3124 -4.8448 -4.8448 -4.5982 -4.5982 -1.2850 -1.2850 -1.2548 -1.2548 -0.4870 -0.4870 -0.3829 -0.3829 5.4398 5.4398 9.0871 9.0871 11.2591 11.2591 12.0693 12.0693 k = 0.0000 0.1556 0.4091 ( 6520 PWs) bands (ev): -42.0646 -42.0646 -41.9644 -41.9644 -17.3527 -17.3527 -17.3122 -17.3122 -4.8476 -4.8476 -4.6110 -4.6110 -1.2788 -1.2788 -1.2447 -1.2447 -0.5051 -0.5051 -0.3872 -0.3872 5.4761 5.4761 9.1259 9.1259 11.1553 11.1553 12.0892 12.0892 k = 0.0000 0.1667 0.4091 ( 6514 PWs) bands (ev): -42.0635 -42.0635 -41.9653 -41.9653 -17.3516 -17.3516 -17.3119 -17.3119 -4.8506 -4.8506 -4.6243 -4.6243 -1.2724 -1.2724 -1.2339 -1.2339 -0.5240 -0.5240 -0.3917 -0.3917 5.5149 5.5149 9.1671 9.1671 11.0492 11.0492 12.1100 12.1100 k = 0.0000 0.1778 0.4091 ( 6514 PWs) bands (ev): -42.0625 -42.0625 -41.9663 -41.9663 -17.3505 -17.3505 -17.3117 -17.3117 -4.8538 -4.8538 -4.6379 -4.6379 -1.2660 -1.2660 -1.2224 -1.2224 -0.5437 -0.5437 -0.3967 -0.3967 5.5563 5.5563 9.2103 9.2103 10.9414 10.9414 12.1317 12.1317 k = 0.0000 0.1889 0.4091 ( 6506 PWs) bands (ev): -42.0613 -42.0613 -41.9673 -41.9673 -17.3493 -17.3493 -17.3115 -17.3115 -4.8571 -4.8571 -4.6519 -4.6519 -1.2596 -1.2596 -1.2102 -1.2102 -0.5639 -0.5639 -0.4020 -0.4020 5.6002 5.6002 9.2553 9.2553 10.8324 10.8324 12.1539 12.1539 k = 0.0000 0.2000 0.4091 ( 6510 PWs) bands (ev): -42.0601 -42.0601 -41.9683 -41.9683 -17.3480 -17.3480 -17.3113 -17.3113 -4.8605 -4.8605 -4.6660 -4.6660 -1.2532 -1.2532 -1.1974 -1.1974 -0.5848 -0.5848 -0.4077 -0.4077 5.6465 5.6465 9.3019 9.3019 10.7228 10.7228 12.1766 12.1766 k = 0.0000 0.2111 0.4091 ( 6514 PWs) bands (ev): -42.0588 -42.0588 -41.9694 -41.9694 -17.3467 -17.3467 -17.3110 -17.3110 -4.8641 -4.8641 -4.6803 -4.6803 -1.2468 -1.2468 -1.1839 -1.1839 -0.6060 -0.6060 -0.4137 -0.4137 5.6953 5.6953 9.3497 9.3497 10.6134 10.6134 12.1995 12.1995 k = 0.0000 0.2222 0.4091 ( 6510 PWs) bands (ev): -42.0575 -42.0575 -41.9706 -41.9706 -17.3454 -17.3454 -17.3108 -17.3108 -4.8677 -4.8677 -4.6947 -4.6947 -1.2405 -1.2405 -1.1699 -1.1699 -0.6275 -0.6275 -0.4202 -0.4202 5.7465 5.7465 9.3981 9.3981 10.5048 10.5048 12.2224 12.2224 k = 0.0000 0.2333 0.4091 ( 6510 PWs) bands (ev): -42.0561 -42.0561 -41.9718 -41.9718 -17.3441 -17.3441 -17.3106 -17.3106 -4.8715 -4.8715 -4.7091 -4.7091 -1.2342 -1.2342 -1.1553 -1.1553 -0.6493 -0.6493 -0.4271 -0.4271 5.8000 5.8000 9.4461 9.4461 10.3982 10.3982 12.2449 12.2449 k = 0.0000 0.2444 0.4091 ( 6510 PWs) bands (ev): -42.0547 -42.0547 -41.9731 -41.9731 -17.3427 -17.3427 -17.3104 -17.3104 -4.8753 -4.8753 -4.7233 -4.7233 -1.2280 -1.2280 -1.1402 -1.1402 -0.6712 -0.6712 -0.4345 -0.4345 5.8559 5.8559 9.4922 9.4922 10.2953 10.2953 12.2666 12.2666 k = 0.0000 0.2556 0.4091 ( 6508 PWs) bands (ev): -42.0532 -42.0532 -41.9744 -41.9744 -17.3413 -17.3413 -17.3102 -17.3102 -4.8792 -4.8792 -4.7375 -4.7375 -1.2219 -1.2219 -1.1247 -1.1247 -0.6932 -0.6932 -0.4422 -0.4422 5.9141 5.9141 9.5336 9.5336 10.1990 10.1990 12.2870 12.2870 k = 0.0000 0.2667 0.4091 ( 6504 PWs) bands (ev): -42.0517 -42.0517 -41.9758 -41.9758 -17.3399 -17.3399 -17.3101 -17.3101 -4.8831 -4.8831 -4.7514 -4.7514 -1.2158 -1.2158 -1.1086 -1.1086 -0.7151 -0.7151 -0.4504 -0.4504 5.9745 5.9745 9.5648 9.5648 10.1148 10.1148 12.3055 12.3055 k = 0.0000 0.2778 0.4091 ( 6508 PWs) bands (ev): -42.0501 -42.0501 -41.9772 -41.9772 -17.3385 -17.3385 -17.3099 -17.3099 -4.8870 -4.8870 -4.7650 -4.7650 -1.2099 -1.2099 -1.0922 -1.0922 -0.7369 -0.7369 -0.4591 -0.4591 6.0371 6.0371 9.5766 9.5766 10.0521 10.0521 12.3214 12.3214 k = 0.0000 0.2889 0.4091 ( 6496 PWs) bands (ev): -42.0485 -42.0485 -41.9786 -41.9786 -17.3371 -17.3371 -17.3098 -17.3098 -4.8909 -4.8909 -4.7783 -4.7783 -1.2040 -1.2040 -1.0753 -1.0753 -0.7585 -0.7585 -0.4682 -0.4682 6.1019 6.1019 9.5577 9.5577 10.0220 10.0220 12.3337 12.3337 k = 0.0000 0.3000 0.4091 ( 6502 PWs) bands (ev): -42.0468 -42.0468 -41.9801 -41.9801 -17.3357 -17.3357 -17.3097 -17.3097 -4.8947 -4.8947 -4.7913 -4.7913 -1.1981 -1.1981 -1.0581 -1.0581 -0.7799 -0.7799 -0.4778 -0.4778 6.1688 6.1688 9.5054 9.5054 10.0273 10.0273 12.3413 12.3413 k = 0.0000 0.3111 0.4091 ( 6506 PWs) bands (ev): -42.0451 -42.0451 -41.9817 -41.9817 -17.3343 -17.3343 -17.3096 -17.3096 -4.8985 -4.8985 -4.8038 -4.8038 -1.1923 -1.1923 -1.0406 -1.0406 -0.8009 -0.8009 -0.4879 -0.4879 6.2377 6.2377 9.4286 9.4286 10.0593 10.0593 12.3431 12.3431 k = 0.0000 0.3222 0.4091 ( 6502 PWs) bands (ev): -42.0434 -42.0434 -41.9833 -41.9833 -17.3329 -17.3329 -17.3096 -17.3096 -4.9022 -4.9022 -4.8158 -4.8158 -1.1865 -1.1865 -1.0228 -1.0228 -0.8215 -0.8215 -0.4985 -0.4985 6.3087 6.3087 9.3374 9.3374 10.1077 10.1077 12.3376 12.3376 k = 0.0000 0.3333 0.4091 ( 6498 PWs) bands (ev): -42.0416 -42.0416 -41.9849 -41.9849 -17.3315 -17.3315 -17.3096 -17.3096 -4.9058 -4.9058 -4.8273 -4.8273 -1.1808 -1.1808 -1.0048 -1.0048 -0.8416 -0.8416 -0.5095 -0.5095 6.3817 6.3817 9.2386 9.2386 10.1658 10.1658 12.3237 12.3237 k = 0.0000 0.3444 0.4091 ( 6498 PWs) bands (ev): -42.0398 -42.0398 -41.9865 -41.9865 -17.3301 -17.3301 -17.3096 -17.3096 -4.9093 -4.9093 -4.8383 -4.8383 -1.1749 -1.1749 -0.9866 -0.9866 -0.8613 -0.8613 -0.5210 -0.5210 6.4566 6.4566 9.1358 9.1358 10.2300 10.2300 12.3006 12.3006 k = 0.0000 0.3556 0.4091 ( 6500 PWs) bands (ev): -42.0380 -42.0380 -41.9882 -41.9882 -17.3288 -17.3288 -17.3097 -17.3097 -4.9126 -4.9126 -4.8487 -4.8487 -1.1691 -1.1691 -0.9682 -0.9682 -0.8804 -0.8804 -0.5330 -0.5330 6.5334 6.5334 9.0307 9.0307 10.2985 10.2985 12.2678 12.2678 k = 0.0000 0.3667 0.4091 ( 6508 PWs) bands (ev): -42.0361 -42.0361 -41.9900 -41.9900 -17.3275 -17.3275 -17.3098 -17.3098 -4.9157 -4.9157 -4.8585 -4.8585 -1.1631 -1.1631 -0.9497 -0.9497 -0.8988 -0.8988 -0.5454 -0.5454 6.6120 6.6120 8.9245 8.9245 10.3702 10.3702 12.2258 12.2258 k = 0.0000 0.3778 0.4091 ( 6506 PWs) bands (ev): -42.0342 -42.0342 -41.9917 -41.9917 -17.3262 -17.3262 -17.3100 -17.3100 -4.9186 -4.9186 -4.8677 -4.8677 -1.1570 -1.1570 -0.9314 -0.9314 -0.9164 -0.9164 -0.5584 -0.5584 6.6924 6.6924 8.8179 8.8179 10.4443 10.4443 12.1753 12.1753 k = 0.0000 0.3889 0.4091 ( 6498 PWs) bands (ev): -42.0323 -42.0323 -41.9935 -41.9935 -17.3249 -17.3249 -17.3102 -17.3102 -4.9212 -4.9212 -4.8763 -4.8763 -1.1507 -1.1507 -0.9345 -0.9345 -0.9119 -0.9119 -0.5718 -0.5718 6.7746 6.7746 8.7113 8.7113 10.5204 10.5204 12.1174 12.1174 k = 0.0000 0.4000 0.4091 ( 6482 PWs) bands (ev): -42.0304 -42.0304 -41.9953 -41.9953 -17.3237 -17.3237 -17.3104 -17.3104 -4.9235 -4.9235 -4.8842 -4.8842 -1.1442 -1.1442 -0.9509 -0.9509 -0.8933 -0.8933 -0.5856 -0.5856 6.8585 6.8585 8.6049 8.6049 10.5982 10.5982 12.0534 12.0534 k = 0.0000 0.4111 0.4091 ( 6490 PWs) bands (ev): -42.0285 -42.0285 -41.9972 -41.9972 -17.3226 -17.3226 -17.3107 -17.3107 -4.9255 -4.9255 -4.8914 -4.8914 -1.1375 -1.1375 -0.9668 -0.9668 -0.8746 -0.8746 -0.5999 -0.5999 6.9440 6.9440 8.4990 8.4990 10.6775 10.6775 11.9843 11.9843 k = 0.0000 0.4222 0.4091 ( 6496 PWs) bands (ev): -42.0265 -42.0265 -41.9991 -41.9991 -17.3214 -17.3214 -17.3110 -17.3110 -4.9271 -4.9271 -4.8981 -4.8981 -1.1305 -1.1305 -0.9820 -0.9820 -0.8559 -0.8559 -0.6146 -0.6146 7.0311 7.0311 8.3937 8.3937 10.7580 10.7580 11.9112 11.9112 k = 0.0000 0.4333 0.4091 ( 6490 PWs) bands (ev): -42.0245 -42.0245 -42.0009 -42.0009 -17.3203 -17.3203 -17.3114 -17.3114 -4.9284 -4.9284 -4.9040 -4.9040 -1.1232 -1.1232 -0.9966 -0.9966 -0.8372 -0.8372 -0.6298 -0.6298 7.1199 7.1199 8.2892 8.2892 10.8396 10.8396 11.8349 11.8349 k = 0.0000 0.4444 0.4091 ( 6488 PWs) bands (ev): -42.0226 -42.0226 -42.0029 -42.0029 -17.3193 -17.3193 -17.3119 -17.3119 -4.9293 -4.9293 -4.9093 -4.9093 -1.1155 -1.1155 -1.0105 -1.0105 -0.8187 -0.8187 -0.6453 -0.6453 7.2101 7.2101 8.1855 8.1855 10.9220 10.9220 11.7562 11.7562 k = 0.0000 0.4556 0.4091 ( 6492 PWs) bands (ev): -42.0206 -42.0206 -42.0048 -42.0048 -17.3183 -17.3183 -17.3124 -17.3124 -4.9297 -4.9297 -4.9140 -4.9140 -1.1074 -1.1074 -1.0237 -1.0237 -0.8003 -0.8003 -0.6613 -0.6613 7.3018 7.3018 8.0828 8.0828 11.0052 11.0052 11.6755 11.6755 k = 0.0000 0.4667 0.4091 ( 6498 PWs) bands (ev): -42.0186 -42.0186 -42.0067 -42.0067 -17.3174 -17.3174 -17.3129 -17.3129 -4.9296 -4.9296 -4.9180 -4.9180 -1.0988 -1.0988 -1.0363 -1.0363 -0.7820 -0.7820 -0.6776 -0.6776 7.3949 7.3949 7.9810 7.9810 11.0890 11.0890 11.5933 11.5933 k = 0.0000 0.4778 0.4091 ( 6504 PWs) bands (ev): -42.0166 -42.0166 -42.0087 -42.0087 -17.3165 -17.3165 -17.3135 -17.3135 -4.9291 -4.9291 -4.9214 -4.9214 -1.0898 -1.0898 -1.0482 -1.0482 -0.7640 -0.7640 -0.6943 -0.6943 7.4894 7.4894 7.8803 7.8803 11.1732 11.1732 11.5102 11.5102 k = 0.0000 0.4889 0.4091 ( 6504 PWs) bands (ev): -42.0146 -42.0146 -42.0107 -42.0107 -17.3157 -17.3157 -17.3142 -17.3142 -4.9280 -4.9280 -4.9242 -4.9242 -1.0802 -1.0802 -1.0595 -1.0595 -0.7461 -0.7461 -0.7113 -0.7113 7.5853 7.5853 7.7808 7.7808 11.2576 11.2576 11.4263 11.4263 k = 0.0000 0.5000 0.4091 ( 6508 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3149 -17.3149 -17.3149 -17.3149 -4.9264 -4.9264 -4.9264 -4.9264 -1.0701 -1.0701 -1.0701 -1.0701 -0.7285 -0.7285 -0.7285 -0.7285 7.6824 7.6824 7.6824 7.6824 11.3420 11.3420 11.3420 11.3420 k = 0.0000 0.5000 0.4091 ( 6508 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3149 -17.3149 -17.3149 -17.3149 -4.9264 -4.9264 -4.9264 -4.9264 -1.0701 -1.0701 -1.0701 -1.0701 -0.7285 -0.7285 -0.7285 -0.7285 7.6824 7.6824 7.6824 7.6824 11.3420 11.3420 11.3420 11.3420 k = 0.0111 0.5000 0.4091 ( 6508 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3149 -17.3149 -17.3149 -17.3149 -4.9263 -4.9263 -4.9263 -4.9263 -1.0704 -1.0704 -1.0703 -1.0703 -0.7292 -0.7292 -0.7289 -0.7289 7.6838 7.6838 7.6840 7.6840 11.3384 11.3384 11.3384 11.3384 k = 0.0222 0.5000 0.4091 ( 6504 PWs) bands (ev): -42.0126 -42.0126 -42.0126 -42.0126 -17.3148 -17.3148 -17.3148 -17.3148 -4.9261 -4.9261 -4.9260 -4.9260 -1.0712 -1.0712 -1.0708 -1.0708 -0.7308 -0.7308 -0.7302 -0.7302 7.6882 7.6882 7.6886 7.6886 11.3276 11.3276 11.3277 11.3277 k = 0.0333 0.5000 0.4091 ( 6508 PWs) bands (ev): -42.0126 -42.0126 -42.0126 -42.0126 -17.3148 -17.3148 -17.3148 -17.3148 -4.9257 -4.9257 -4.9256 -4.9256 -1.0724 -1.0724 -1.0718 -1.0718 -0.7334 -0.7334 -0.7325 -0.7325 7.6955 7.6955 7.6962 7.6962 11.3099 11.3099 11.3100 11.3100 k = 0.0444 0.5000 0.4091 ( 6500 PWs) bands (ev): -42.0126 -42.0126 -42.0126 -42.0126 -17.3146 -17.3146 -17.3146 -17.3146 -4.9252 -4.9252 -4.9251 -4.9251 -1.0740 -1.0740 -1.0732 -1.0732 -0.7369 -0.7369 -0.7357 -0.7357 7.7059 7.7059 7.7067 7.7067 11.2857 11.2857 11.2858 11.2858 k = 0.0556 0.5000 0.4091 ( 6492 PWs) bands (ev): -42.0126 -42.0126 -42.0126 -42.0126 -17.3145 -17.3145 -17.3145 -17.3145 -4.9245 -4.9245 -4.9244 -4.9244 -1.0760 -1.0760 -1.0750 -1.0750 -0.7414 -0.7414 -0.7399 -0.7399 7.7191 7.7191 7.7202 7.7202 11.2556 11.2556 11.2557 11.2557 k = 0.0667 0.5000 0.4091 ( 6488 PWs) bands (ev): -42.0125 -42.0125 -42.0125 -42.0125 -17.3143 -17.3143 -17.3143 -17.3143 -4.9237 -4.9237 -4.9235 -4.9235 -1.0784 -1.0784 -1.0773 -1.0773 -0.7467 -0.7467 -0.7450 -0.7450 7.7352 7.7352 7.7365 7.7365 11.2201 11.2201 11.2202 11.2202 k = 0.0778 0.5000 0.4091 ( 6480 PWs) bands (ev): -42.0125 -42.0125 -42.0125 -42.0125 -17.3141 -17.3141 -17.3141 -17.3141 -4.9228 -4.9228 -4.9225 -4.9225 -1.0812 -1.0812 -1.0799 -1.0799 -0.7530 -0.7530 -0.7510 -0.7510 7.7542 7.7542 7.7557 7.7557 11.1798 11.1798 11.1800 11.1800 k = 0.0889 0.5000 0.4091 ( 6480 PWs) bands (ev): -42.0124 -42.0124 -42.0124 -42.0124 -17.3139 -17.3139 -17.3139 -17.3139 -4.9217 -4.9217 -4.9214 -4.9214 -1.0844 -1.0844 -1.0829 -1.0829 -0.7601 -0.7601 -0.7578 -0.7578 7.7760 7.7760 7.7777 7.7777 11.1355 11.1355 11.1358 11.1358 k = 0.1000 0.5000 0.4091 ( 6476 PWs) bands (ev): -42.0124 -42.0124 -42.0124 -42.0124 -17.3136 -17.3136 -17.3136 -17.3136 -4.9205 -4.9205 -4.9201 -4.9201 -1.0879 -1.0879 -1.0863 -1.0863 -0.7679 -0.7679 -0.7654 -0.7654 7.8005 7.8005 7.8024 7.8024 11.0877 11.0877 11.0881 11.0881 k = 0.1111 0.5000 0.4091 ( 6472 PWs) bands (ev): -42.0123 -42.0123 -42.0123 -42.0123 -17.3133 -17.3133 -17.3133 -17.3133 -4.9191 -4.9191 -4.9188 -4.9188 -1.0918 -1.0918 -1.0901 -1.0901 -0.7766 -0.7766 -0.7738 -0.7738 7.8276 7.8276 7.8297 7.8297 11.0371 11.0371 11.0375 11.0375 k = 0.1222 0.5000 0.4091 ( 6476 PWs) bands (ev): -42.0123 -42.0123 -42.0123 -42.0123 -17.3130 -17.3130 -17.3130 -17.3130 -4.9176 -4.9176 -4.9172 -4.9172 -1.0961 -1.0961 -1.0942 -1.0942 -0.7859 -0.7859 -0.7829 -0.7829 7.8573 7.8573 7.8596 7.8596 10.9843 10.9843 10.9848 10.9848 k = 0.1333 0.5000 0.4091 ( 6476 PWs) bands (ev): -42.0122 -42.0122 -42.0122 -42.0122 -17.3126 -17.3126 -17.3126 -17.3126 -4.9160 -4.9160 -4.9156 -4.9156 -1.1007 -1.1007 -1.0986 -1.0986 -0.7959 -0.7959 -0.7927 -0.7927 7.8895 7.8895 7.8921 7.8921 10.9297 10.9297 10.9303 10.9303 k = 0.1444 0.5000 0.4091 ( 6472 PWs) bands (ev): -42.0121 -42.0121 -42.0121 -42.0121 -17.3123 -17.3123 -17.3123 -17.3123 -4.9143 -4.9143 -4.9139 -4.9139 -1.1055 -1.1055 -1.1033 -1.1033 -0.8064 -0.8064 -0.8030 -0.8030 7.9242 7.9242 7.9269 7.9269 10.8740 10.8740 10.8747 10.8747 k = 0.1556 0.5000 0.4091 ( 6464 PWs) bands (ev): -42.0120 -42.0120 -42.0120 -42.0120 -17.3119 -17.3119 -17.3119 -17.3119 -4.9124 -4.9124 -4.9120 -4.9120 -1.1107 -1.1107 -1.1084 -1.1084 -0.8175 -0.8175 -0.8139 -0.8139 7.9611 7.9611 7.9640 7.9640 10.8174 10.8174 10.8182 10.8182 k = 0.1667 0.5000 0.4091 ( 6460 PWs) bands (ev): -42.0120 -42.0120 -42.0120 -42.0120 -17.3115 -17.3115 -17.3115 -17.3115 -4.9105 -4.9105 -4.9100 -4.9100 -1.1161 -1.1161 -1.1136 -1.1136 -0.8290 -0.8290 -0.8253 -0.8253 8.0001 8.0001 8.0032 8.0032 10.7605 10.7605 10.7614 10.7614 k = 0.1778 0.5000 0.4091 ( 6460 PWs) bands (ev): -42.0119 -42.0119 -42.0119 -42.0119 -17.3110 -17.3110 -17.3110 -17.3110 -4.9085 -4.9085 -4.9080 -4.9080 -1.1217 -1.1217 -1.1192 -1.1192 -0.8410 -0.8410 -0.8371 -0.8371 8.0413 8.0413 8.0446 8.0446 10.7037 10.7037 10.7046 10.7046 k = 0.1889 0.5000 0.4091 ( 6464 PWs) bands (ev): -42.0118 -42.0118 -42.0118 -42.0118 -17.3106 -17.3106 -17.3106 -17.3106 -4.9064 -4.9064 -4.9059 -4.9059 -1.1276 -1.1276 -1.1250 -1.1250 -0.8533 -0.8533 -0.8493 -0.8493 8.0844 8.0844 8.0878 8.0878 10.6471 10.6471 10.6482 10.6482 k = 0.2000 0.5000 0.4091 ( 6476 PWs) bands (ev): -42.0117 -42.0117 -42.0117 -42.0117 -17.3102 -17.3102 -17.3102 -17.3102 -4.9042 -4.9042 -4.9037 -4.9037 -1.1336 -1.1336 -1.1309 -1.1309 -0.8658 -0.8658 -0.8617 -0.8617 8.1293 8.1293 8.1329 8.1329 10.5912 10.5912 10.5925 10.5925 k = 0.2111 0.5000 0.4091 ( 6468 PWs) bands (ev): -42.0116 -42.0116 -42.0116 -42.0116 -17.3097 -17.3097 -17.3097 -17.3097 -4.9019 -4.9019 -4.9014 -4.9014 -1.1398 -1.1398 -1.1371 -1.1371 -0.8785 -0.8785 -0.8743 -0.8743 8.1758 8.1758 8.1796 8.1796 10.5363 10.5363 10.5377 10.5377 k = 0.2222 0.5000 0.4091 ( 6468 PWs) bands (ev): -42.0115 -42.0115 -42.0115 -42.0115 -17.3092 -17.3092 -17.3092 -17.3092 -4.8996 -4.8996 -4.8991 -4.8991 -1.1462 -1.1462 -1.1435 -1.1435 -0.8913 -0.8913 -0.8871 -0.8871 8.2238 8.2238 8.2278 8.2278 10.4826 10.4826 10.4842 10.4842 k = 0.2333 0.5000 0.4091 ( 6472 PWs) bands (ev): -42.0115 -42.0115 -42.0115 -42.0115 -17.3088 -17.3088 -17.3088 -17.3088 -4.8973 -4.8973 -4.8967 -4.8967 -1.1527 -1.1527 -1.1499 -1.1499 -0.9042 -0.9042 -0.8999 -0.8999 8.2731 8.2731 8.2772 8.2772 10.4304 10.4304 10.4321 10.4321 k = 0.2444 0.5000 0.4091 ( 6468 PWs) bands (ev): -42.0114 -42.0114 -42.0114 -42.0114 -17.3083 -17.3083 -17.3083 -17.3083 -4.8949 -4.8949 -4.8943 -4.8943 -1.1594 -1.1594 -1.1566 -1.1566 -0.9170 -0.9170 -0.9127 -0.9127 8.3235 8.3235 8.3278 8.3278 10.3800 10.3800 10.3818 10.3818 k = 0.2556 0.5000 0.4091 ( 6476 PWs) bands (ev): -42.0113 -42.0113 -42.0113 -42.0113 -17.3078 -17.3078 -17.3078 -17.3078 -4.8925 -4.8925 -4.8919 -4.8919 -1.1661 -1.1661 -1.1633 -1.1633 -0.9297 -0.9297 -0.9254 -0.9254 8.3748 8.3748 8.3793 8.3793 10.3315 10.3315 10.3334 10.3334 k = 0.2667 0.5000 0.4091 ( 6476 PWs) bands (ev): -42.0112 -42.0112 -42.0112 -42.0112 -17.3073 -17.3073 -17.3073 -17.3073 -4.8900 -4.8900 -4.8895 -4.8895 -1.1728 -1.1728 -1.1701 -1.1701 -0.9422 -0.9422 -0.9379 -0.9379 8.4268 8.4268 8.4315 8.4315 10.2851 10.2851 10.2873 10.2873 k = 0.2778 0.5000 0.4091 ( 6484 PWs) bands (ev): -42.0111 -42.0111 -42.0111 -42.0111 -17.3068 -17.3068 -17.3068 -17.3068 -4.8876 -4.8876 -4.8871 -4.8871 -1.1797 -1.1797 -1.1769 -1.1769 -0.9545 -0.9545 -0.9503 -0.9503 8.4793 8.4793 8.4840 8.4840 10.2412 10.2412 10.2435 10.2435 k = 0.2889 0.5000 0.4091 ( 6484 PWs) bands (ev): -42.0110 -42.0110 -42.0110 -42.0110 -17.3064 -17.3064 -17.3064 -17.3064 -4.8852 -4.8852 -4.8846 -4.8846 -1.1865 -1.1865 -1.1838 -1.1838 -0.9665 -0.9665 -0.9623 -0.9623 8.5318 8.5318 8.5367 8.5367 10.2000 10.2000 10.2024 10.2024 k = 0.3000 0.5000 0.4091 ( 6488 PWs) bands (ev): -42.0109 -42.0109 -42.0109 -42.0109 -17.3059 -17.3059 -17.3059 -17.3059 -4.8828 -4.8828 -4.8823 -4.8823 -1.1933 -1.1933 -1.1907 -1.1907 -0.9781 -0.9781 -0.9740 -0.9740 8.5842 8.5842 8.5892 8.5892 10.1616 10.1616 10.1642 10.1642 k = 0.3111 0.5000 0.4091 ( 6496 PWs) bands (ev): -42.0108 -42.0108 -42.0108 -42.0108 -17.3055 -17.3055 -17.3055 -17.3055 -4.8805 -4.8805 -4.8799 -4.8799 -1.2000 -1.2000 -1.1975 -1.1975 -0.9892 -0.9892 -0.9853 -0.9853 8.6361 8.6361 8.6412 8.6412 10.1263 10.1263 10.1291 10.1291 k = 0.3222 0.5000 0.4091 ( 6496 PWs) bands (ev): -42.0108 -42.0108 -42.0108 -42.0108 -17.3050 -17.3050 -17.3050 -17.3050 -4.8781 -4.8781 -4.8776 -4.8776 -1.2067 -1.2067 -1.2043 -1.2043 -0.9999 -0.9999 -0.9961 -0.9961 8.6871 8.6871 8.6923 8.6923 10.0944 10.0944 10.0973 10.0973 k = 0.3333 0.5000 0.4091 ( 6480 PWs) bands (ev): -42.0107 -42.0107 -42.0107 -42.0107 -17.3046 -17.3046 -17.3046 -17.3046 -4.8759 -4.8759 -4.8754 -4.8754 -1.2133 -1.2133 -1.2110 -1.2110 -1.0101 -1.0101 -1.0065 -1.0065 8.7368 8.7368 8.7420 8.7420 10.0660 10.0660 10.0690 10.0690 k = 0.3444 0.5000 0.4091 ( 6484 PWs) bands (ev): -42.0106 -42.0106 -42.0106 -42.0106 -17.3042 -17.3042 -17.3042 -17.3042 -4.8737 -4.8737 -4.8732 -4.8732 -1.2197 -1.2197 -1.2176 -1.2176 -1.0196 -1.0196 -1.0162 -1.0162 8.7848 8.7848 8.7901 8.7901 10.0414 10.0414 10.0446 10.0446 k = 0.3556 0.5000 0.4091 ( 6500 PWs) bands (ev): -42.0105 -42.0105 -42.0105 -42.0105 -17.3038 -17.3038 -17.3038 -17.3038 -4.8716 -4.8716 -4.8712 -4.8712 -1.2260 -1.2260 -1.2239 -1.2239 -1.0286 -1.0286 -1.0254 -1.0254 8.8306 8.8306 8.8359 8.8359 10.0209 10.0209 10.0241 10.0241 k = 0.3667 0.5000 0.4091 ( 6500 PWs) bands (ev): -42.0105 -42.0105 -42.0105 -42.0105 -17.3034 -17.3034 -17.3034 -17.3034 -4.8697 -4.8697 -4.8692 -4.8692 -1.2320 -1.2320 -1.2301 -1.2301 -1.0370 -1.0370 -1.0340 -1.0340 8.8738 8.8738 8.8791 8.8791 10.0045 10.0045 10.0078 10.0078 k = 0.3778 0.5000 0.4091 ( 6500 PWs) bands (ev): -42.0104 -42.0104 -42.0104 -42.0104 -17.3031 -17.3031 -17.3031 -17.3031 -4.8678 -4.8678 -4.8674 -4.8674 -1.2377 -1.2377 -1.2360 -1.2360 -1.0447 -1.0447 -1.0420 -1.0420 8.9140 8.9140 8.9191 8.9191 9.9924 9.9924 9.9956 9.9956 k = 0.3889 0.5000 0.4091 ( 6500 PWs) bands (ev): -42.0103 -42.0103 -42.0103 -42.0103 -17.3028 -17.3028 -17.3028 -17.3028 -4.8660 -4.8660 -4.8656 -4.8656 -1.2432 -1.2432 -1.2416 -1.2416 -1.0518 -1.0518 -1.0493 -1.0493 8.9508 8.9508 8.9557 8.9557 9.9845 9.9845 9.9877 9.9877 k = 0.4000 0.5000 0.4091 ( 6496 PWs) bands (ev): -42.0103 -42.0103 -42.0103 -42.0103 -17.3025 -17.3025 -17.3025 -17.3025 -4.8644 -4.8644 -4.8640 -4.8640 -1.2482 -1.2482 -1.2468 -1.2468 -1.0581 -1.0581 -1.0559 -1.0559 8.9838 8.9838 8.9885 8.9885 9.9806 9.9806 9.9837 9.9837 k = 0.4111 0.5000 0.4091 ( 6496 PWs) bands (ev): -42.0102 -42.0102 -42.0102 -42.0102 -17.3022 -17.3022 -17.3022 -17.3022 -4.8629 -4.8629 -4.8626 -4.8626 -1.2529 -1.2529 -1.2517 -1.2517 -1.0638 -1.0638 -1.0618 -1.0618 9.0129 9.0129 9.0172 9.0172 9.9805 9.9805 9.9834 9.9834 k = 0.4222 0.5000 0.4091 ( 6496 PWs) bands (ev): -42.0102 -42.0102 -42.0102 -42.0102 -17.3020 -17.3020 -17.3020 -17.3020 -4.8615 -4.8615 -4.8613 -4.8613 -1.2571 -1.2571 -1.2561 -1.2561 -1.0689 -1.0689 -1.0671 -1.0671 9.0379 9.0379 9.0419 9.0419 9.9836 9.9836 9.9863 9.9863 k = 0.4333 0.5000 0.4091 ( 6500 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3018 -17.3018 -17.3018 -17.3018 -4.8604 -4.8604 -4.8601 -4.8601 -1.2609 -1.2609 -1.2600 -1.2600 -1.0732 -1.0732 -1.0717 -1.0717 9.0590 9.0590 9.0625 9.0625 9.9892 9.9892 9.9916 9.9916 k = 0.4444 0.5000 0.4091 ( 6516 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3016 -17.3016 -17.3016 -17.3016 -4.8594 -4.8594 -4.8591 -4.8591 -1.2641 -1.2641 -1.2633 -1.2633 -1.0768 -1.0768 -1.0755 -1.0755 9.0763 9.0763 9.0793 9.0793 9.9964 9.9964 9.9984 9.9984 k = 0.4556 0.5000 0.4091 ( 6520 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3015 -17.3015 -17.3015 -17.3015 -4.8585 -4.8585 -4.8583 -4.8583 -1.2668 -1.2668 -1.2662 -1.2662 -1.0798 -1.0798 -1.0787 -1.0787 9.0900 9.0900 9.0924 9.0924 10.0042 10.0042 10.0058 10.0058 k = 0.4667 0.5000 0.4091 ( 6520 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3013 -17.3013 -17.3013 -17.3013 -4.8578 -4.8578 -4.8577 -4.8577 -1.2689 -1.2689 -1.2684 -1.2684 -1.0820 -1.0820 -1.0813 -1.0813 9.1003 9.1003 9.1021 9.1021 10.0116 10.0116 10.0128 10.0128 k = 0.4778 0.5000 0.4091 ( 6532 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3013 -17.3013 -17.3013 -17.3013 -4.8574 -4.8574 -4.8573 -4.8573 -1.2704 -1.2704 -1.2701 -1.2701 -1.0836 -1.0836 -1.0831 -1.0831 9.1076 9.1076 9.1088 9.1088 10.0177 10.0177 10.0185 10.0185 k = 0.4889 0.5000 0.4091 ( 6544 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3012 -17.3012 -17.3012 -17.3012 -4.8571 -4.8571 -4.8570 -4.8570 -1.2712 -1.2712 -1.2711 -1.2711 -1.0845 -1.0845 -1.0842 -1.0842 9.1119 9.1119 9.1126 9.1126 10.0218 10.0218 10.0222 10.0222 k = 0.5000 0.5000 0.4091 ( 6552 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3012 -17.3012 -17.3012 -17.3012 -4.8569 -4.8569 -4.8569 -4.8569 -1.2715 -1.2715 -1.2715 -1.2715 -1.0847 -1.0847 -1.0847 -1.0847 9.1136 9.1136 9.1136 9.1136 10.0233 10.0233 10.0233 10.0233 k = 0.5000 0.5000 0.4091 ( 6552 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3012 -17.3012 -17.3012 -17.3012 -4.8569 -4.8569 -4.8569 -4.8569 -1.2715 -1.2715 -1.2715 -1.2715 -1.0847 -1.0847 -1.0847 -1.0847 9.1136 9.1136 9.1136 9.1136 10.0233 10.0233 10.0233 10.0233 k = 0.4921 0.4921 0.4091 ( 6546 PWs) bands (ev): -42.0101 -42.0101 -42.0100 -42.0100 -17.3012 -17.3012 -17.3012 -17.3012 -4.8571 -4.8571 -4.8570 -4.8570 -1.2715 -1.2715 -1.2708 -1.2708 -1.0845 -1.0845 -1.0842 -1.0842 9.1100 9.1100 9.1145 9.1145 10.0202 10.0202 10.0237 10.0237 k = 0.4841 0.4841 0.4091 ( 6532 PWs) bands (ev): -42.0102 -42.0102 -42.0099 -42.0099 -17.3013 -17.3013 -17.3012 -17.3012 -4.8574 -4.8574 -4.8573 -4.8573 -1.2716 -1.2716 -1.2688 -1.2688 -1.0837 -1.0837 -1.0829 -1.0829 9.0990 9.0990 9.1170 9.1170 10.0116 10.0116 10.0248 10.0248 k = 0.4762 0.4762 0.4091 ( 6516 PWs) bands (ev): -42.0104 -42.0104 -42.0098 -42.0098 -17.3014 -17.3014 -17.3012 -17.3012 -4.8578 -4.8578 -4.8577 -4.8577 -1.2717 -1.2717 -1.2655 -1.2655 -1.0825 -1.0825 -1.0807 -1.0807 9.0801 9.0801 9.1212 9.1212 9.9993 9.9993 10.0266 10.0266 k = 0.4683 0.4683 0.4091 ( 6504 PWs) bands (ev): -42.0106 -42.0106 -42.0095 -42.0095 -17.3016 -17.3016 -17.3013 -17.3013 -4.8585 -4.8585 -4.8583 -4.8583 -1.2718 -1.2718 -1.2608 -1.2608 -1.0807 -1.0807 -1.0777 -1.0777 9.0526 9.0526 9.1271 9.1271 9.9858 9.9858 10.0292 10.0292 k = 0.4603 0.4603 0.4091 ( 6496 PWs) bands (ev): -42.0110 -42.0110 -42.0092 -42.0092 -17.3019 -17.3019 -17.3013 -17.3013 -4.8593 -4.8593 -4.8591 -4.8591 -1.2721 -1.2721 -1.2549 -1.2549 -1.0784 -1.0784 -1.0738 -1.0738 9.0159 9.0159 9.1346 9.1346 9.9739 9.9739 10.0325 10.0325 k = 0.4524 0.4524 0.4091 ( 6484 PWs) bands (ev): -42.0114 -42.0114 -42.0089 -42.0089 -17.3022 -17.3022 -17.3014 -17.3014 -4.8603 -4.8603 -4.8600 -4.8600 -1.2723 -1.2723 -1.2477 -1.2477 -1.0757 -1.0757 -1.0691 -1.0691 8.9694 8.9694 9.1438 9.1438 9.9659 9.9659 10.0366 10.0366 k = 0.4444 0.4444 0.4091 ( 6496 PWs) bands (ev): -42.0119 -42.0119 -42.0085 -42.0085 -17.3026 -17.3026 -17.3014 -17.3014 -4.8615 -4.8615 -4.8610 -4.8610 -1.2726 -1.2726 -1.2392 -1.2392 -1.0726 -1.0726 -1.0636 -1.0636 8.9133 8.9133 9.1545 9.1545 9.9638 9.9638 10.0415 10.0415 k = 0.4365 0.4365 0.4091 ( 6496 PWs) bands (ev): -42.0124 -42.0124 -42.0080 -42.0080 -17.3030 -17.3030 -17.3015 -17.3015 -4.8627 -4.8627 -4.8621 -4.8621 -1.2730 -1.2730 -1.2296 -1.2296 -1.0692 -1.0692 -1.0572 -1.0572 8.8480 8.8480 9.1668 9.1668 9.9686 9.9686 10.0472 10.0472 k = 0.4286 0.4286 0.4091 ( 6496 PWs) bands (ev): -42.0131 -42.0131 -42.0075 -42.0075 -17.3035 -17.3035 -17.3016 -17.3016 -4.8641 -4.8641 -4.8633 -4.8633 -1.2734 -1.2734 -1.2188 -1.2188 -1.0654 -1.0654 -1.0500 -1.0500 8.7743 8.7743 9.1807 9.1807 9.9807 9.9807 10.0537 10.0537 k = 0.4206 0.4206 0.4091 ( 6504 PWs) bands (ev): -42.0138 -42.0138 -42.0069 -42.0069 -17.3041 -17.3041 -17.3017 -17.3017 -4.8655 -4.8655 -4.8644 -4.8644 -1.2738 -1.2738 -1.2068 -1.2068 -1.0613 -1.0613 -1.0421 -1.0421 8.6934 8.6934 9.1959 9.1959 10.0003 10.0003 10.0611 10.0611 k = 0.4127 0.4127 0.4091 ( 6500 PWs) bands (ev): -42.0146 -42.0146 -42.0063 -42.0063 -17.3047 -17.3047 -17.3018 -17.3018 -4.8671 -4.8671 -4.8656 -4.8656 -1.2743 -1.2743 -1.1938 -1.1938 -1.0571 -1.0571 -1.0333 -1.0333 8.6065 8.6065 9.2126 9.2126 10.0268 10.0268 10.0693 10.0693 k = 0.4048 0.4048 0.4091 ( 6492 PWs) bands (ev): -42.0154 -42.0154 -42.0056 -42.0056 -17.3053 -17.3053 -17.3019 -17.3019 -4.8687 -4.8687 -4.8666 -4.8666 -1.2748 -1.2748 -1.1797 -1.1797 -1.0527 -1.0527 -1.0238 -1.0238 8.5147 8.5147 9.2305 9.2305 10.0599 10.0599 10.0785 10.0785 k = 0.3968 0.3968 0.4091 ( 6496 PWs) bands (ev): -42.0163 -42.0163 -42.0048 -42.0048 -17.3060 -17.3060 -17.3021 -17.3021 -4.8703 -4.8703 -4.8675 -4.8675 -1.2754 -1.2754 -1.1647 -1.1647 -1.0481 -1.0481 -1.0136 -1.0136 8.4190 8.4190 9.2497 9.2497 10.0879 10.0879 10.0998 10.0998 k = 0.3889 0.3889 0.4091 ( 6486 PWs) bands (ev): -42.0173 -42.0173 -42.0040 -42.0040 -17.3068 -17.3068 -17.3022 -17.3022 -4.8720 -4.8720 -4.8683 -4.8683 -1.2761 -1.2761 -1.1487 -1.1487 -1.0436 -1.0436 -1.0027 -1.0027 8.3204 8.3204 9.2701 9.2701 10.0992 10.0992 10.1446 10.1446 k = 0.3810 0.3810 0.4091 ( 6494 PWs) bands (ev): -42.0183 -42.0183 -42.0032 -42.0032 -17.3076 -17.3076 -17.3024 -17.3024 -4.8736 -4.8736 -4.8689 -4.8689 -1.2768 -1.2768 -1.1319 -1.1319 -1.0391 -1.0391 -0.9910 -0.9910 8.2196 8.2196 9.2914 9.2914 10.1112 10.1112 10.1948 10.1948 k = 0.3730 0.3730 0.4091 ( 6488 PWs) bands (ev): -42.0194 -42.0194 -42.0022 -42.0022 -17.3085 -17.3085 -17.3025 -17.3025 -4.8752 -4.8752 -4.8692 -4.8692 -1.2775 -1.2775 -1.1143 -1.1143 -1.0347 -1.0347 -0.9787 -0.9787 8.1173 8.1173 9.3136 9.3136 10.1242 10.1242 10.2499 10.2499 k = 0.3651 0.3651 0.4091 ( 6484 PWs) bands (ev): -42.0205 -42.0205 -42.0013 -42.0013 -17.3094 -17.3094 -17.3027 -17.3027 -4.8768 -4.8768 -4.8693 -4.8693 -1.2783 -1.2783 -1.0959 -1.0959 -1.0304 -1.0304 -0.9658 -0.9658 8.0140 8.0140 9.3365 9.3365 10.1382 10.1382 10.3096 10.3096 k = 0.3571 0.3571 0.4091 ( 6492 PWs) bands (ev): -42.0217 -42.0217 -42.0003 -42.0003 -17.3104 -17.3104 -17.3029 -17.3029 -4.8783 -4.8783 -4.8690 -4.8690 -1.2791 -1.2791 -1.0768 -1.0768 -1.0264 -1.0264 -0.9523 -0.9523 7.9103 7.9103 9.3600 9.3600 10.1534 10.1534 10.3735 10.3735 k = 0.3492 0.3492 0.4091 ( 6494 PWs) bands (ev): -42.0229 -42.0229 -41.9993 -41.9993 -17.3115 -17.3115 -17.3031 -17.3031 -4.8797 -4.8797 -4.8684 -4.8684 -1.2800 -1.2800 -1.0572 -1.0572 -1.0226 -1.0226 -0.9382 -0.9382 7.8064 7.8064 9.3839 9.3839 10.1697 10.1697 10.4413 10.4413 k = 0.3413 0.3413 0.4091 ( 6496 PWs) bands (ev): -42.0242 -42.0242 -41.9982 -41.9982 -17.3125 -17.3125 -17.3033 -17.3033 -4.8810 -4.8810 -4.8673 -4.8673 -1.2809 -1.2809 -1.0369 -1.0369 -1.0192 -1.0192 -0.9235 -0.9235 7.7027 7.7027 9.4078 9.4078 10.1872 10.1872 10.5128 10.5128 k = 0.3333 0.3333 0.4091 ( 6506 PWs) bands (ev): -42.0255 -42.0255 -41.9971 -41.9971 -17.3137 -17.3137 -17.3035 -17.3035 -4.8821 -4.8821 -4.8658 -4.8658 -1.2819 -1.2819 -1.0175 -1.0175 -1.0150 -1.0150 -0.9084 -0.9084 7.5995 7.5995 9.4317 9.4317 10.2059 10.2059 10.5876 10.5876 k = 0.3254 0.3254 0.4091 ( 6496 PWs) bands (ev): -42.0269 -42.0269 -41.9960 -41.9960 -17.3148 -17.3148 -17.3037 -17.3037 -4.8831 -4.8831 -4.8638 -4.8638 -1.2829 -1.2829 -1.0140 -1.0140 -0.9948 -0.9948 -0.8927 -0.8927 7.4971 7.4971 9.4552 9.4552 10.2259 10.2259 10.6656 10.6656 k = 0.3175 0.3175 0.4091 ( 6484 PWs) bands (ev): -42.0282 -42.0282 -41.9948 -41.9948 -17.3160 -17.3160 -17.3040 -17.3040 -4.8840 -4.8840 -4.8613 -4.8613 -1.2840 -1.2840 -1.0121 -1.0121 -0.9733 -0.9733 -0.8767 -0.8767 7.3958 7.3958 9.4779 9.4779 10.2472 10.2472 10.7464 10.7464 k = 0.3095 0.3095 0.4091 ( 6484 PWs) bands (ev): -42.0297 -42.0297 -41.9936 -41.9936 -17.3173 -17.3173 -17.3042 -17.3042 -4.8847 -4.8847 -4.8583 -4.8583 -1.2851 -1.2851 -1.0108 -1.0108 -0.9515 -0.9515 -0.8602 -0.8602 7.2955 7.2955 9.4997 9.4997 10.2699 10.2699 10.8297 10.8297 k = 0.3016 0.3016 0.4091 ( 6482 PWs) bands (ev): -42.0311 -42.0311 -41.9924 -41.9924 -17.3186 -17.3186 -17.3045 -17.3045 -4.8852 -4.8852 -4.8547 -4.8547 -1.2862 -1.2862 -1.0101 -1.0101 -0.9294 -0.9294 -0.8433 -0.8433 7.1967 7.1967 9.5200 9.5200 10.2940 10.2940 10.9153 10.9153 k = 0.2937 0.2937 0.4091 ( 6498 PWs) bands (ev): -42.0326 -42.0326 -41.9912 -41.9912 -17.3199 -17.3199 -17.3048 -17.3048 -4.8855 -4.8855 -4.8505 -4.8505 -1.2874 -1.2874 -1.0101 -1.0101 -0.9071 -0.9071 -0.8262 -0.8262 7.0993 7.0993 9.5386 9.5386 10.3196 10.3196 11.0028 11.0028 k = 0.2857 0.2857 0.4091 ( 6506 PWs) bands (ev): -42.0341 -42.0341 -41.9900 -41.9900 -17.3213 -17.3213 -17.3050 -17.3050 -4.8856 -4.8856 -4.8456 -4.8456 -1.2886 -1.2886 -1.0109 -1.0109 -0.8847 -0.8847 -0.8087 -0.8087 7.0036 7.0036 9.5550 9.5550 10.3467 10.3467 11.0918 11.0918 k = 0.2778 0.2778 0.4091 ( 6510 PWs) bands (ev): -42.0356 -42.0356 -41.9887 -41.9887 -17.3227 -17.3227 -17.3053 -17.3053 -4.8855 -4.8855 -4.8402 -4.8402 -1.2899 -1.2899 -1.0124 -1.0124 -0.8622 -0.8622 -0.7910 -0.7910 6.9097 6.9097 9.5689 9.5689 10.3754 10.3754 11.1819 11.1819 k = 0.2698 0.2698 0.4091 ( 6502 PWs) bands (ev): -42.0371 -42.0371 -41.9874 -41.9874 -17.3241 -17.3241 -17.3056 -17.3056 -4.8852 -4.8852 -4.8341 -4.8341 -1.2912 -1.2912 -1.0148 -1.0148 -0.8397 -0.8397 -0.7731 -0.7731 6.8177 6.8177 9.5797 9.5797 10.4056 10.4056 11.2727 11.2727 k = 0.2619 0.2619 0.4091 ( 6502 PWs) bands (ev): -42.0387 -42.0387 -41.9862 -41.9862 -17.3256 -17.3256 -17.3059 -17.3059 -4.8846 -4.8846 -4.8274 -4.8274 -1.2925 -1.2925 -1.0180 -1.0180 -0.8173 -0.8173 -0.7551 -0.7551 6.7277 6.7277 9.5873 9.5873 10.4375 10.4375 11.3636 11.3636 k = 0.2540 0.2540 0.4091 ( 6494 PWs) bands (ev): -42.0402 -42.0402 -41.9849 -41.9849 -17.3270 -17.3270 -17.3063 -17.3063 -4.8839 -4.8839 -4.8200 -4.8200 -1.2938 -1.2938 -1.0220 -1.0220 -0.7949 -0.7949 -0.7369 -0.7369 6.6397 6.6397 9.5912 9.5912 10.4711 10.4711 11.4541 11.4541 k = 0.2460 0.2460 0.4091 ( 6502 PWs) bands (ev): -42.0417 -42.0417 -41.9836 -41.9836 -17.3285 -17.3285 -17.3066 -17.3066 -4.8830 -4.8830 -4.8120 -4.8120 -1.2952 -1.2952 -1.0268 -1.0268 -0.7727 -0.7727 -0.7186 -0.7186 6.5540 6.5540 9.5911 9.5911 10.5065 10.5065 11.5433 11.5433 k = 0.2381 0.2381 0.4091 ( 6502 PWs) bands (ev): -42.0433 -42.0433 -41.9823 -41.9823 -17.3300 -17.3300 -17.3069 -17.3069 -4.8818 -4.8818 -4.8034 -4.8034 -1.2966 -1.2966 -1.0326 -1.0326 -0.7507 -0.7507 -0.7004 -0.7004 6.4705 6.4705 9.5869 9.5869 10.5435 10.5435 11.6303 11.6303 k = 0.2302 0.2302 0.4091 ( 6502 PWs) bands (ev): -42.0448 -42.0448 -41.9810 -41.9810 -17.3315 -17.3315 -17.3072 -17.3072 -4.8805 -4.8805 -4.7942 -4.7942 -1.2979 -1.2979 -1.0391 -1.0391 -0.7290 -0.7290 -0.6821 -0.6821 6.3893 6.3893 9.5785 9.5785 10.5824 10.5824 11.7143 11.7143 k = 0.2222 0.2222 0.4091 ( 6506 PWs) bands (ev): -42.0463 -42.0463 -41.9797 -41.9797 -17.3331 -17.3331 -17.3076 -17.3076 -4.8790 -4.8790 -4.7844 -4.7844 -1.2994 -1.2994 -1.0466 -1.0466 -0.7076 -0.7076 -0.6639 -0.6639 6.3106 6.3106 9.5659 9.5659 10.6232 10.6232 11.7939 11.7939 k = 0.2143 0.2143 0.4091 ( 6496 PWs) bands (ev): -42.0478 -42.0478 -41.9785 -41.9785 -17.3346 -17.3346 -17.3079 -17.3079 -4.8773 -4.8773 -4.7740 -4.7740 -1.3008 -1.3008 -1.0548 -1.0548 -0.6865 -0.6865 -0.6458 -0.6458 6.2343 6.2343 9.5492 9.5492 10.6657 10.6657 11.8677 11.8677 k = 0.2063 0.2063 0.4091 ( 6492 PWs) bands (ev): -42.0493 -42.0493 -41.9772 -41.9772 -17.3361 -17.3361 -17.3082 -17.3082 -4.8754 -4.8754 -4.7631 -4.7631 -1.3022 -1.3022 -1.0638 -1.0638 -0.6658 -0.6658 -0.6278 -0.6278 6.1605 6.1605 9.5285 9.5285 10.7102 10.7102 11.9344 11.9344 k = 0.1984 0.1984 0.4091 ( 6508 PWs) bands (ev): -42.0508 -42.0508 -41.9760 -41.9760 -17.3376 -17.3376 -17.3086 -17.3086 -4.8734 -4.8734 -4.7517 -4.7517 -1.3036 -1.3036 -1.0736 -1.0736 -0.6456 -0.6456 -0.6100 -0.6100 6.0893 6.0893 9.5043 9.5043 10.7565 10.7565 11.9923 11.9923 k = 0.1905 0.1905 0.4091 ( 6502 PWs) bands (ev): -42.0522 -42.0522 -41.9748 -41.9748 -17.3391 -17.3391 -17.3089 -17.3089 -4.8713 -4.8713 -4.7399 -4.7399 -1.3051 -1.3051 -1.0841 -1.0841 -0.6258 -0.6258 -0.5925 -0.5925 6.0207 6.0207 9.4767 9.4767 10.8046 10.8046 12.0404 12.0404 k = 0.1825 0.1825 0.4091 ( 6494 PWs) bands (ev): -42.0536 -42.0536 -41.9736 -41.9736 -17.3406 -17.3406 -17.3092 -17.3092 -4.8690 -4.8690 -4.7277 -4.7277 -1.3065 -1.3065 -1.0953 -1.0953 -0.6066 -0.6066 -0.5753 -0.5753 5.9548 5.9548 9.4462 9.4462 10.8547 10.8547 12.0780 12.0780 k = 0.1746 0.1746 0.4091 ( 6498 PWs) bands (ev): -42.0550 -42.0550 -41.9724 -41.9724 -17.3421 -17.3421 -17.3096 -17.3096 -4.8666 -4.8666 -4.7151 -4.7151 -1.3079 -1.3079 -1.1070 -1.1070 -0.5879 -0.5879 -0.5583 -0.5583 5.8916 5.8916 9.4133 9.4133 10.9066 10.9066 12.1049 12.1049 k = 0.1667 0.1667 0.4091 ( 6506 PWs) bands (ev): -42.0564 -42.0564 -41.9713 -41.9713 -17.3435 -17.3435 -17.3099 -17.3099 -4.8642 -4.8642 -4.7022 -4.7022 -1.3093 -1.3093 -1.1193 -1.1193 -0.5698 -0.5698 -0.5418 -0.5418 5.8311 5.8311 9.3784 9.3784 10.9603 10.9603 12.1220 12.1220 k = 0.1587 0.1587 0.4091 ( 6498 PWs) bands (ev): -42.0577 -42.0577 -41.9702 -41.9702 -17.3449 -17.3449 -17.3102 -17.3102 -4.8616 -4.8616 -4.6892 -4.6892 -1.3107 -1.3107 -1.1320 -1.1320 -0.5524 -0.5524 -0.5256 -0.5256 5.7733 5.7733 9.3420 9.3420 11.0158 11.0158 12.1304 12.1304 k = 0.1508 0.1508 0.4091 ( 6498 PWs) bands (ev): -42.0589 -42.0589 -41.9691 -41.9691 -17.3463 -17.3463 -17.3105 -17.3105 -4.8591 -4.8591 -4.6759 -4.6759 -1.3120 -1.3120 -1.1451 -1.1451 -0.5356 -0.5356 -0.5099 -0.5099 5.7184 5.7184 9.3045 9.3045 11.0729 11.0729 12.1315 12.1315 k = 0.1429 0.1429 0.4091 ( 6502 PWs) bands (ev): -42.0602 -42.0602 -41.9681 -41.9681 -17.3476 -17.3476 -17.3109 -17.3109 -4.8565 -4.8565 -4.6626 -4.6626 -1.3133 -1.3133 -1.1584 -1.1584 -0.5194 -0.5194 -0.4947 -0.4947 5.6662 5.6662 9.2663 9.2663 11.1317 11.1317 12.1271 12.1271 k = 0.1349 0.1349 0.4091 ( 6496 PWs) bands (ev): -42.0613 -42.0613 -41.9671 -41.9671 -17.3489 -17.3489 -17.3112 -17.3112 -4.8538 -4.8538 -4.6493 -4.6493 -1.3146 -1.3146 -1.1719 -1.1719 -0.5040 -0.5040 -0.4801 -0.4801 5.6168 5.6168 9.2280 9.2280 11.1919 11.1919 12.1183 12.1183 k = 0.1270 0.1270 0.4091 ( 6508 PWs) bands (ev): -42.0625 -42.0625 -41.9662 -41.9662 -17.3502 -17.3502 -17.3114 -17.3114 -4.8513 -4.8513 -4.6361 -4.6361 -1.3159 -1.3159 -1.1855 -1.1855 -0.4893 -0.4893 -0.4661 -0.4661 5.5703 5.5703 9.1899 9.1899 11.2534 11.2534 12.1065 12.1065 k = 0.1190 0.1190 0.4091 ( 6504 PWs) bands (ev): -42.0635 -42.0635 -41.9652 -41.9652 -17.3514 -17.3514 -17.3117 -17.3117 -4.8487 -4.8487 -4.6231 -4.6231 -1.3171 -1.3171 -1.1990 -1.1990 -0.4754 -0.4754 -0.4526 -0.4526 5.5265 5.5265 9.1523 9.1523 11.3161 11.3161 12.0926 12.0926 k = 0.1111 0.1111 0.4091 ( 6504 PWs) bands (ev): -42.0645 -42.0645 -41.9644 -41.9644 -17.3525 -17.3525 -17.3120 -17.3120 -4.8462 -4.8462 -4.6103 -4.6103 -1.3183 -1.3183 -1.2124 -1.2124 -0.4623 -0.4623 -0.4399 -0.4399 5.4856 5.4856 9.1157 9.1157 11.3796 11.3796 12.0775 12.0775 k = 0.1032 0.1032 0.4091 ( 6504 PWs) bands (ev): -42.0655 -42.0655 -41.9636 -41.9636 -17.3536 -17.3536 -17.3122 -17.3122 -4.8437 -4.8437 -4.5979 -4.5979 -1.3195 -1.3195 -1.2255 -1.2255 -0.4500 -0.4500 -0.4279 -0.4279 5.4476 5.4476 9.0803 9.0803 11.4438 11.4438 12.0616 12.0616 k = 0.0952 0.0952 0.4091 ( 6500 PWs) bands (ev): -42.0664 -42.0664 -41.9628 -41.9628 -17.3546 -17.3546 -17.3125 -17.3125 -4.8414 -4.8414 -4.5860 -4.5860 -1.3206 -1.3206 -1.2382 -1.2382 -0.4384 -0.4384 -0.4166 -0.4166 5.4124 5.4124 9.0464 9.0464 11.5082 11.5082 12.0457 12.0457 k = 0.0873 0.0873 0.4091 ( 6500 PWs) bands (ev): -42.0672 -42.0672 -41.9621 -41.9621 -17.3556 -17.3556 -17.3127 -17.3127 -4.8392 -4.8392 -4.5745 -4.5745 -1.3217 -1.3217 -1.2503 -1.2503 -0.4278 -0.4278 -0.4060 -0.4060 5.3800 5.3800 9.0143 9.0143 11.5723 11.5723 12.0300 12.0300 k = 0.0794 0.0794 0.4091 ( 6496 PWs) bands (ev): -42.0680 -42.0680 -41.9615 -41.9615 -17.3565 -17.3565 -17.3129 -17.3129 -4.8371 -4.8371 -4.5637 -4.5637 -1.3228 -1.3228 -1.2618 -1.2618 -0.4180 -0.4180 -0.3963 -0.3963 5.3505 5.3505 8.9843 8.9843 11.6358 11.6358 12.0150 12.0150 k = 0.0714 0.0714 0.4091 ( 6496 PWs) bands (ev): -42.0687 -42.0687 -41.9609 -41.9609 -17.3573 -17.3573 -17.3131 -17.3131 -4.8351 -4.8351 -4.5536 -4.5536 -1.3239 -1.3239 -1.2725 -1.2725 -0.4090 -0.4090 -0.3875 -0.3875 5.3238 5.3238 8.9564 8.9564 11.6978 11.6978 12.0007 12.0007 k = 0.0635 0.0635 0.4091 ( 6488 PWs) bands (ev): -42.0693 -42.0693 -41.9604 -41.9604 -17.3580 -17.3580 -17.3133 -17.3133 -4.8333 -4.8333 -4.5443 -4.5443 -1.3250 -1.3250 -1.2823 -1.2823 -0.4010 -0.4010 -0.3795 -0.3795 5.2999 5.2999 8.9311 8.9311 11.7578 11.7578 11.9876 11.9876 k = 0.0556 0.0556 0.4091 ( 6488 PWs) bands (ev): -42.0699 -42.0699 -41.9599 -41.9599 -17.3586 -17.3586 -17.3134 -17.3134 -4.8317 -4.8317 -4.5359 -4.5359 -1.3261 -1.3261 -1.2910 -1.2910 -0.3939 -0.3939 -0.3724 -0.3724 5.2788 5.2788 8.9083 8.9083 11.8148 11.8148 11.9756 11.9756 k = 0.0476 0.0476 0.4091 ( 6488 PWs) bands (ev): -42.0703 -42.0703 -41.9595 -41.9595 -17.3592 -17.3592 -17.3136 -17.3136 -4.8303 -4.8303 -4.5285 -4.5285 -1.3274 -1.3274 -1.2985 -1.2985 -0.3877 -0.3877 -0.3662 -0.3662 5.2606 5.2606 8.8883 8.8883 11.8677 11.8677 11.9651 11.9651 k = 0.0397 0.0397 0.4091 ( 6476 PWs) bands (ev): -42.0708 -42.0708 -41.9591 -41.9591 -17.3597 -17.3597 -17.3137 -17.3137 -4.8290 -4.8290 -4.5220 -4.5220 -1.3289 -1.3289 -1.3046 -1.3046 -0.3824 -0.3824 -0.3609 -0.3609 5.2452 5.2452 8.8711 8.8711 11.9156 11.9156 11.9560 11.9560 k = 0.0317 0.0317 0.4091 ( 6482 PWs) bands (ev): -42.0711 -42.0711 -41.9588 -41.9588 -17.3601 -17.3601 -17.3138 -17.3138 -4.8280 -4.8280 -4.5167 -4.5167 -1.3305 -1.3305 -1.3093 -1.3093 -0.3781 -0.3781 -0.3565 -0.3565 5.2326 5.2326 8.8569 8.8569 11.9484 11.9484 11.9571 11.9571 k = 0.0238 0.0238 0.4091 ( 6470 PWs) bands (ev): -42.0714 -42.0714 -41.9586 -41.9586 -17.3604 -17.3604 -17.3139 -17.3139 -4.8272 -4.8272 -4.5125 -4.5125 -1.3321 -1.3321 -1.3127 -1.3127 -0.3747 -0.3747 -0.3531 -0.3531 5.2228 5.2228 8.8458 8.8458 11.9425 11.9425 11.9910 11.9910 k = 0.0159 0.0159 0.4091 ( 6458 PWs) bands (ev): -42.0715 -42.0715 -41.9584 -41.9584 -17.3606 -17.3606 -17.3139 -17.3139 -4.8266 -4.8266 -4.5094 -4.5094 -1.3336 -1.3336 -1.3148 -1.3148 -0.3723 -0.3723 -0.3507 -0.3507 5.2158 5.2158 8.8379 8.8379 11.9382 11.9382 12.0162 12.0162 k = 0.0079 0.0079 0.4091 ( 6446 PWs) bands (ev): -42.0716 -42.0716 -41.9583 -41.9583 -17.3608 -17.3608 -17.3139 -17.3139 -4.8263 -4.8263 -4.5076 -4.5076 -1.3346 -1.3346 -1.3160 -1.3160 -0.3708 -0.3708 -0.3492 -0.3492 5.2116 5.2116 8.8330 8.8330 11.9356 11.9356 12.0317 12.0317 k = 0.0000 0.0000 0.4091 ( 6418 PWs) bands (ev): -42.0717 -42.0717 -41.9583 -41.9583 -17.3608 -17.3608 -17.3140 -17.3140 -4.8262 -4.8262 -4.5070 -4.5070 -1.3349 -1.3349 -1.3163 -1.3163 -0.3703 -0.3703 -0.3488 -0.3488 5.2102 5.2102 8.8314 8.8314 11.9348 11.9348 12.0370 12.0370 k = 0.0000 0.5000-0.0000 ( 6490 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3303 -17.3303 -17.3303 -17.3303 -4.5541 -4.5541 -4.5541 -4.5541 -1.4328 -1.4328 -1.4328 -1.4328 -0.7586 -0.7586 -0.7586 -0.7586 7.1515 7.1515 7.1515 7.1515 11.0128 11.0128 11.0128 11.0128 k = 0.0000 0.5000 0.0111 ( 6498 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3303 -17.3303 -17.3303 -17.3303 -4.5549 -4.5549 -4.5549 -4.5549 -1.4320 -1.4320 -1.4320 -1.4320 -0.7586 -0.7586 -0.7586 -0.7586 7.1526 7.1526 7.1526 7.1526 11.0120 11.0120 11.0120 11.0120 k = 0.0000 0.5000 0.0221 ( 6498 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3302 -17.3302 -17.3302 -17.3302 -4.5571 -4.5571 -4.5571 -4.5571 -1.4298 -1.4298 -1.4298 -1.4298 -0.7584 -0.7584 -0.7584 -0.7584 7.1558 7.1558 7.1558 7.1558 11.0094 11.0094 11.0094 11.0094 k = 0.0000 0.5000 0.0332 ( 6500 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3301 -17.3301 -17.3301 -17.3301 -4.5609 -4.5609 -4.5609 -4.5609 -1.4261 -1.4261 -1.4261 -1.4261 -0.7581 -0.7581 -0.7581 -0.7581 7.1612 7.1612 7.1612 7.1612 11.0052 11.0052 11.0052 11.0052 k = 0.0000 0.5000 0.0442 ( 6496 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3299 -17.3299 -17.3299 -17.3299 -4.5660 -4.5660 -4.5660 -4.5660 -1.4210 -1.4210 -1.4210 -1.4210 -0.7578 -0.7578 -0.7578 -0.7578 7.1686 7.1686 7.1686 7.1686 10.9996 10.9996 10.9996 10.9996 k = 0.0000 0.5000 0.0553 ( 6496 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3297 -17.3297 -17.3297 -17.3297 -4.5726 -4.5726 -4.5726 -4.5726 -1.4145 -1.4145 -1.4145 -1.4145 -0.7573 -0.7573 -0.7573 -0.7573 7.1780 7.1780 7.1780 7.1780 10.9927 10.9927 10.9927 10.9927 k = 0.0000 0.5000 0.0663 ( 6504 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3294 -17.3294 -17.3294 -17.3294 -4.5805 -4.5805 -4.5805 -4.5805 -1.4068 -1.4068 -1.4068 -1.4068 -0.7567 -0.7567 -0.7567 -0.7567 7.1894 7.1894 7.1894 7.1894 10.9847 10.9847 10.9847 10.9847 k = 0.0000 0.5000 0.0774 ( 6504 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3290 -17.3290 -17.3290 -17.3290 -4.5897 -4.5897 -4.5897 -4.5897 -1.3978 -1.3978 -1.3978 -1.3978 -0.7561 -0.7561 -0.7561 -0.7561 7.2026 7.2026 7.2026 7.2026 10.9761 10.9761 10.9761 10.9761 k = 0.0000 0.5000 0.0885 ( 6494 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3286 -17.3286 -17.3286 -17.3286 -4.6000 -4.6000 -4.6000 -4.6000 -1.3877 -1.3877 -1.3877 -1.3877 -0.7553 -0.7553 -0.7553 -0.7553 7.2175 7.2175 7.2175 7.2175 10.9670 10.9670 10.9670 10.9670 k = 0.0000 0.5000 0.0995 ( 6494 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3282 -17.3282 -17.3282 -17.3282 -4.6114 -4.6114 -4.6114 -4.6114 -1.3765 -1.3765 -1.3765 -1.3765 -0.7545 -0.7545 -0.7545 -0.7545 7.2340 7.2340 7.2340 7.2340 10.9578 10.9578 10.9578 10.9578 k = 0.0000 0.5000 0.1106 ( 6500 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3277 -17.3277 -17.3277 -17.3277 -4.6237 -4.6237 -4.6237 -4.6237 -1.3644 -1.3644 -1.3644 -1.3644 -0.7536 -0.7536 -0.7536 -0.7536 7.2520 7.2520 7.2520 7.2520 10.9489 10.9489 10.9489 10.9489 k = 0.0000 0.5000 0.1216 ( 6496 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3272 -17.3272 -17.3272 -17.3272 -4.6369 -4.6369 -4.6369 -4.6369 -1.3515 -1.3515 -1.3515 -1.3515 -0.7526 -0.7526 -0.7526 -0.7526 7.2714 7.2714 7.2714 7.2714 10.9406 10.9406 10.9406 10.9406 k = 0.0000 0.5000 0.1327 ( 6496 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3267 -17.3267 -17.3267 -17.3267 -4.6508 -4.6508 -4.6508 -4.6508 -1.3379 -1.3379 -1.3379 -1.3379 -0.7515 -0.7515 -0.7515 -0.7515 7.2918 7.2918 7.2918 7.2918 10.9332 10.9332 10.9332 10.9332 k = 0.0000 0.5000 0.1437 ( 6492 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3261 -17.3261 -17.3261 -17.3261 -4.6653 -4.6653 -4.6653 -4.6653 -1.3236 -1.3236 -1.3236 -1.3236 -0.7504 -0.7504 -0.7504 -0.7504 7.3133 7.3133 7.3133 7.3133 10.9272 10.9272 10.9272 10.9272 k = 0.0000 0.5000 0.1548 ( 6504 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3255 -17.3255 -17.3255 -17.3255 -4.6804 -4.6804 -4.6804 -4.6804 -1.3090 -1.3090 -1.3090 -1.3090 -0.7493 -0.7493 -0.7493 -0.7493 7.3355 7.3355 7.3355 7.3355 10.9229 10.9229 10.9229 10.9229 k = 0.0000 0.5000 0.1658 ( 6502 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3249 -17.3249 -17.3249 -17.3249 -4.6958 -4.6958 -4.6958 -4.6958 -1.2939 -1.2939 -1.2939 -1.2939 -0.7481 -0.7481 -0.7481 -0.7481 7.3583 7.3583 7.3583 7.3583 10.9205 10.9205 10.9205 10.9205 k = 0.0000 0.5000 0.1769 ( 6502 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3243 -17.3243 -17.3243 -17.3243 -4.7114 -4.7114 -4.7114 -4.7114 -1.2786 -1.2786 -1.2786 -1.2786 -0.7468 -0.7468 -0.7468 -0.7468 7.3814 7.3814 7.3814 7.3814 10.9204 10.9204 10.9204 10.9204 k = 0.0000 0.5000 0.1880 ( 6490 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3236 -17.3236 -17.3236 -17.3236 -4.7272 -4.7272 -4.7272 -4.7272 -1.2632 -1.2632 -1.2632 -1.2632 -0.7456 -0.7456 -0.7456 -0.7456 7.4048 7.4048 7.4048 7.4048 10.9229 10.9229 10.9229 10.9229 k = 0.0000 0.5000 0.1990 ( 6490 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3230 -17.3230 -17.3230 -17.3230 -4.7430 -4.7430 -4.7430 -4.7430 -1.2478 -1.2478 -1.2478 -1.2478 -0.7443 -0.7443 -0.7443 -0.7443 7.4281 7.4281 7.4281 7.4281 10.9281 10.9281 10.9281 10.9281 k = 0.0000 0.5000 0.2101 ( 6490 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3223 -17.3223 -17.3223 -17.3223 -4.7587 -4.7587 -4.7587 -4.7587 -1.2326 -1.2326 -1.2326 -1.2326 -0.7430 -0.7430 -0.7430 -0.7430 7.4512 7.4512 7.4512 7.4512 10.9362 10.9362 10.9362 10.9362 k = 0.0000 0.5000 0.2211 ( 6490 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3217 -17.3217 -17.3217 -17.3217 -4.7742 -4.7742 -4.7742 -4.7742 -1.2175 -1.2175 -1.2175 -1.2175 -0.7418 -0.7418 -0.7418 -0.7418 7.4739 7.4739 7.4739 7.4739 10.9474 10.9474 10.9474 10.9474 k = 0.0000 0.5000 0.2322 ( 6498 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3210 -17.3210 -17.3210 -17.3210 -4.7894 -4.7894 -4.7894 -4.7894 -1.2027 -1.2027 -1.2027 -1.2027 -0.7405 -0.7405 -0.7405 -0.7405 7.4960 7.4960 7.4960 7.4960 10.9618 10.9618 10.9618 10.9618 k = 0.0000 0.5000 0.2432 ( 6494 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3204 -17.3204 -17.3204 -17.3204 -4.8042 -4.8042 -4.8042 -4.8042 -1.1884 -1.1884 -1.1884 -1.1884 -0.7393 -0.7393 -0.7393 -0.7393 7.5174 7.5174 7.5174 7.5174 10.9793 10.9793 10.9793 10.9793 k = 0.0000 0.5000 0.2543 ( 6498 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3198 -17.3198 -17.3198 -17.3198 -4.8184 -4.8184 -4.8184 -4.8184 -1.1745 -1.1745 -1.1745 -1.1745 -0.7380 -0.7380 -0.7380 -0.7380 7.5378 7.5378 7.5378 7.5378 10.9999 10.9999 10.9999 10.9999 k = 0.0000 0.5000 0.2654 ( 6494 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3192 -17.3192 -17.3192 -17.3192 -4.8321 -4.8321 -4.8321 -4.8321 -1.1612 -1.1612 -1.1612 -1.1612 -0.7369 -0.7369 -0.7369 -0.7369 7.5571 7.5571 7.5571 7.5571 11.0233 11.0233 11.0233 11.0233 k = 0.0000 0.5000 0.2764 ( 6486 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3186 -17.3186 -17.3186 -17.3186 -4.8451 -4.8451 -4.8451 -4.8451 -1.1486 -1.1486 -1.1486 -1.1486 -0.7358 -0.7358 -0.7358 -0.7358 7.5753 7.5753 7.5753 7.5753 11.0495 11.0495 11.0495 11.0495 k = 0.0000 0.5000 0.2875 ( 6480 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3180 -17.3180 -17.3180 -17.3180 -4.8574 -4.8574 -4.8574 -4.8574 -1.1368 -1.1368 -1.1368 -1.1368 -0.7347 -0.7347 -0.7347 -0.7347 7.5922 7.5922 7.5922 7.5922 11.0780 11.0780 11.0780 11.0780 k = 0.0000 0.5000 0.2985 ( 6484 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3175 -17.3175 -17.3175 -17.3175 -4.8688 -4.8688 -4.8688 -4.8688 -1.1257 -1.1257 -1.1257 -1.1257 -0.7337 -0.7337 -0.7337 -0.7337 7.6078 7.6078 7.6078 7.6078 11.1084 11.1084 11.1084 11.1084 k = 0.0000 0.5000 0.3096 ( 6488 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3171 -17.3171 -17.3171 -17.3171 -4.8793 -4.8793 -4.8793 -4.8793 -1.1155 -1.1155 -1.1155 -1.1155 -0.7328 -0.7328 -0.7328 -0.7328 7.6219 7.6219 7.6219 7.6219 11.1402 11.1402 11.1402 11.1402 k = 0.0000 0.5000 0.3206 ( 6492 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3166 -17.3166 -17.3166 -17.3166 -4.8889 -4.8889 -4.8889 -4.8889 -1.1063 -1.1063 -1.1063 -1.1063 -0.7319 -0.7319 -0.7319 -0.7319 7.6346 7.6346 7.6346 7.6346 11.1726 11.1726 11.1726 11.1726 k = 0.0000 0.5000 0.3317 ( 6490 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3162 -17.3162 -17.3162 -17.3162 -4.8975 -4.8975 -4.8975 -4.8975 -1.0980 -1.0980 -1.0980 -1.0980 -0.7312 -0.7312 -0.7312 -0.7312 7.6459 7.6459 7.6459 7.6459 11.2048 11.2048 11.2048 11.2048 k = 0.0000 0.5000 0.3428 ( 6494 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3159 -17.3159 -17.3159 -17.3159 -4.9050 -4.9050 -4.9050 -4.9050 -1.0907 -1.0907 -1.0907 -1.0907 -0.7305 -0.7305 -0.7305 -0.7305 7.6556 7.6556 7.6556 7.6556 11.2359 11.2359 11.2359 11.2359 k = 0.0000 0.5000 0.3538 ( 6508 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3156 -17.3156 -17.3156 -17.3156 -4.9115 -4.9115 -4.9115 -4.9115 -1.0845 -1.0845 -1.0845 -1.0845 -0.7299 -0.7299 -0.7299 -0.7299 7.6638 7.6638 7.6638 7.6638 11.2649 11.2649 11.2649 11.2649 k = 0.0000 0.5000 0.3649 ( 6508 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3154 -17.3154 -17.3154 -17.3154 -4.9168 -4.9168 -4.9168 -4.9168 -1.0794 -1.0794 -1.0794 -1.0794 -0.7294 -0.7294 -0.7294 -0.7294 7.6705 7.6705 7.6705 7.6705 11.2908 11.2908 11.2908 11.2908 k = 0.0000 0.5000 0.3759 ( 6492 PWs) bands (ev): -42.0126 -42.0126 -42.0126 -42.0126 -17.3152 -17.3152 -17.3152 -17.3152 -4.9210 -4.9210 -4.9210 -4.9210 -1.0753 -1.0753 -1.0753 -1.0753 -0.7290 -0.7290 -0.7290 -0.7290 7.6757 7.6757 7.6757 7.6757 11.3123 11.3123 11.3123 11.3123 k = 0.0000 0.5000 0.3870 ( 6494 PWs) bands (ev): -42.0126 -42.0126 -42.0126 -42.0126 -17.3150 -17.3150 -17.3150 -17.3150 -4.9240 -4.9240 -4.9240 -4.9240 -1.0725 -1.0725 -1.0725 -1.0725 -0.7288 -0.7288 -0.7288 -0.7288 7.6794 7.6794 7.6794 7.6794 11.3285 11.3285 11.3285 11.3285 k = 0.0000 0.5000 0.3980 ( 6504 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3149 -17.3149 -17.3149 -17.3149 -4.9258 -4.9258 -4.9258 -4.9258 -1.0707 -1.0707 -1.0707 -1.0707 -0.7286 -0.7286 -0.7286 -0.7286 7.6817 7.6817 7.6817 7.6817 11.3386 11.3386 11.3386 11.3386 k = 0.0000 0.5000 0.4091 ( 6508 PWs) bands (ev): -42.0127 -42.0127 -42.0127 -42.0127 -17.3149 -17.3149 -17.3149 -17.3149 -4.9264 -4.9264 -4.9264 -4.9264 -1.0701 -1.0701 -1.0701 -1.0701 -0.7285 -0.7285 -0.7285 -0.7285 7.6824 7.6824 7.6824 7.6824 11.3420 11.3420 11.3420 11.3420 k = 0.5000 0.5000-0.0000 ( 6512 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3172 -17.3172 -17.3172 -17.3172 -4.6134 -4.6134 -4.6134 -4.6134 -1.7422 -1.7422 -1.7422 -1.7422 -0.5302 -0.5302 -0.5302 -0.5302 6.7270 6.7270 6.7270 6.7270 10.6398 10.6398 10.6398 10.6398 k = 0.5000 0.5000 0.0111 ( 6528 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3172 -17.3172 -17.3172 -17.3172 -4.6138 -4.6138 -4.6138 -4.6138 -1.7417 -1.7417 -1.7417 -1.7417 -0.5309 -0.5309 -0.5309 -0.5309 6.7298 6.7298 6.7298 6.7298 10.6382 10.6382 10.6382 10.6382 k = 0.5000 0.5000 0.0221 ( 6556 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3171 -17.3171 -17.3171 -17.3171 -4.6152 -4.6152 -4.6152 -4.6152 -1.7403 -1.7403 -1.7403 -1.7403 -0.5327 -0.5327 -0.5327 -0.5327 6.7381 6.7381 6.7381 6.7381 10.6336 10.6336 10.6336 10.6336 k = 0.5000 0.5000 0.0332 ( 6544 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3170 -17.3170 -17.3170 -17.3170 -4.6175 -4.6175 -4.6175 -4.6175 -1.7380 -1.7380 -1.7380 -1.7380 -0.5358 -0.5358 -0.5358 -0.5358 6.7521 6.7521 6.7521 6.7521 10.6260 10.6260 10.6260 10.6260 k = 0.5000 0.5000 0.0442 ( 6544 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3168 -17.3168 -17.3168 -17.3168 -4.6206 -4.6206 -4.6206 -4.6206 -1.7348 -1.7348 -1.7348 -1.7348 -0.5401 -0.5401 -0.5401 -0.5401 6.7715 6.7715 6.7715 6.7715 10.6155 10.6155 10.6155 10.6155 k = 0.5000 0.5000 0.0553 ( 6544 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3165 -17.3165 -17.3165 -17.3165 -4.6247 -4.6247 -4.6247 -4.6247 -1.7306 -1.7306 -1.7306 -1.7306 -0.5455 -0.5455 -0.5455 -0.5455 6.7965 6.7965 6.7965 6.7965 10.6023 10.6023 10.6023 10.6023 k = 0.5000 0.5000 0.0663 ( 6528 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3162 -17.3162 -17.3162 -17.3162 -4.6295 -4.6295 -4.6295 -4.6295 -1.7256 -1.7256 -1.7256 -1.7256 -0.5522 -0.5522 -0.5522 -0.5522 6.8268 6.8268 6.8268 6.8268 10.5867 10.5867 10.5867 10.5867 k = 0.5000 0.5000 0.0774 ( 6520 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3158 -17.3158 -17.3158 -17.3158 -4.6351 -4.6351 -4.6351 -4.6351 -1.7196 -1.7196 -1.7196 -1.7196 -0.5601 -0.5601 -0.5601 -0.5601 6.8625 6.8625 6.8625 6.8625 10.5687 10.5687 10.5687 10.5687 k = 0.5000 0.5000 0.0885 ( 6520 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3154 -17.3154 -17.3154 -17.3154 -4.6415 -4.6415 -4.6415 -4.6415 -1.7127 -1.7127 -1.7127 -1.7127 -0.5691 -0.5691 -0.5691 -0.5691 6.9035 6.9035 6.9035 6.9035 10.5488 10.5488 10.5488 10.5488 k = 0.5000 0.5000 0.0995 ( 6528 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3150 -17.3150 -17.3150 -17.3150 -4.6486 -4.6486 -4.6486 -4.6486 -1.7050 -1.7050 -1.7050 -1.7050 -0.5792 -0.5792 -0.5792 -0.5792 6.9496 6.9496 6.9496 6.9496 10.5271 10.5271 10.5271 10.5271 k = 0.5000 0.5000 0.1106 ( 6520 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3145 -17.3145 -17.3145 -17.3145 -4.6563 -4.6563 -4.6563 -4.6563 -1.6963 -1.6963 -1.6963 -1.6963 -0.5904 -0.5904 -0.5904 -0.5904 7.0008 7.0008 7.0008 7.0008 10.5040 10.5040 10.5040 10.5040 k = 0.5000 0.5000 0.1216 ( 6520 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3140 -17.3140 -17.3140 -17.3140 -4.6645 -4.6645 -4.6645 -4.6645 -1.6868 -1.6868 -1.6868 -1.6868 -0.6027 -0.6027 -0.6027 -0.6027 7.0569 7.0569 7.0569 7.0569 10.4797 10.4797 10.4797 10.4797 k = 0.5000 0.5000 0.1327 ( 6504 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3134 -17.3134 -17.3134 -17.3134 -4.6733 -4.6733 -4.6733 -4.6733 -1.6765 -1.6765 -1.6765 -1.6765 -0.6160 -0.6160 -0.6160 -0.6160 7.1179 7.1179 7.1179 7.1179 10.4545 10.4545 10.4545 10.4545 k = 0.5000 0.5000 0.1437 ( 6488 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3128 -17.3128 -17.3128 -17.3128 -4.6825 -4.6825 -4.6825 -4.6825 -1.6653 -1.6653 -1.6653 -1.6653 -0.6303 -0.6303 -0.6303 -0.6303 7.1834 7.1834 7.1834 7.1834 10.4286 10.4286 10.4286 10.4286 k = 0.5000 0.5000 0.1548 ( 6488 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3122 -17.3122 -17.3122 -17.3122 -4.6921 -4.6921 -4.6921 -4.6921 -1.6533 -1.6533 -1.6533 -1.6533 -0.6456 -0.6456 -0.6456 -0.6456 7.2535 7.2535 7.2535 7.2535 10.4023 10.4023 10.4023 10.4023 k = 0.5000 0.5000 0.1658 ( 6480 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3116 -17.3116 -17.3116 -17.3116 -4.7020 -4.7020 -4.7020 -4.7020 -1.6404 -1.6404 -1.6404 -1.6404 -0.6617 -0.6617 -0.6617 -0.6617 7.3278 7.3278 7.3278 7.3278 10.3758 10.3758 10.3758 10.3758 k = 0.5000 0.5000 0.1769 ( 6488 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3109 -17.3109 -17.3109 -17.3109 -4.7121 -4.7121 -4.7121 -4.7121 -1.6268 -1.6268 -1.6268 -1.6268 -0.6788 -0.6788 -0.6788 -0.6788 7.4062 7.4062 7.4062 7.4062 10.3493 10.3493 10.3493 10.3493 k = 0.5000 0.5000 0.1880 ( 6488 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3102 -17.3102 -17.3102 -17.3102 -4.7224 -4.7224 -4.7224 -4.7224 -1.6125 -1.6125 -1.6125 -1.6125 -0.6967 -0.6967 -0.6967 -0.6967 7.4886 7.4886 7.4886 7.4886 10.3230 10.3230 10.3230 10.3230 k = 0.5000 0.5000 0.1990 ( 6500 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3096 -17.3096 -17.3096 -17.3096 -4.7327 -4.7327 -4.7327 -4.7327 -1.5973 -1.5973 -1.5973 -1.5973 -0.7153 -0.7153 -0.7153 -0.7153 7.5745 7.5745 7.5745 7.5745 10.2972 10.2972 10.2972 10.2972 k = 0.5000 0.5000 0.2101 ( 6484 PWs) bands (ev): -42.0100 -42.0100 -42.0100 -42.0100 -17.3089 -17.3089 -17.3089 -17.3089 -4.7430 -4.7430 -4.7430 -4.7430 -1.5815 -1.5815 -1.5815 -1.5815 -0.7347 -0.7347 -0.7347 -0.7347 7.6638 7.6638 7.6638 7.6638 10.2719 10.2719 10.2719 10.2719 k = 0.5000 0.5000 0.2211 ( 6492 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3082 -17.3082 -17.3082 -17.3082 -4.7533 -4.7533 -4.7533 -4.7533 -1.5650 -1.5650 -1.5650 -1.5650 -0.7547 -0.7547 -0.7547 -0.7547 7.7562 7.7562 7.7562 7.7562 10.2473 10.2473 10.2473 10.2473 k = 0.5000 0.5000 0.2322 ( 6484 PWs) bands (ev): -42.0100 -42.0100 -42.0100 -42.0100 -17.3075 -17.3075 -17.3075 -17.3075 -4.7634 -4.7634 -4.7634 -4.7634 -1.5478 -1.5478 -1.5478 -1.5478 -0.7754 -0.7754 -0.7754 -0.7754 7.8513 7.8513 7.8513 7.8513 10.2236 10.2236 10.2236 10.2236 k = 0.5000 0.5000 0.2432 ( 6484 PWs) bands (ev): -42.0100 -42.0100 -42.0100 -42.0100 -17.3069 -17.3069 -17.3069 -17.3069 -4.7733 -4.7733 -4.7733 -4.7733 -1.5301 -1.5301 -1.5301 -1.5301 -0.7966 -0.7966 -0.7966 -0.7966 7.9487 7.9487 7.9487 7.9487 10.2008 10.2008 10.2008 10.2008 k = 0.5000 0.5000 0.2543 ( 6480 PWs) bands (ev): -42.0100 -42.0100 -42.0100 -42.0100 -17.3062 -17.3062 -17.3062 -17.3062 -4.7829 -4.7829 -4.7829 -4.7829 -1.5117 -1.5117 -1.5117 -1.5117 -0.8183 -0.8183 -0.8183 -0.8183 8.0481 8.0481 8.0481 8.0481 10.1791 10.1791 10.1791 10.1791 k = 0.5000 0.5000 0.2654 ( 6496 PWs) bands (ev): -42.0100 -42.0100 -42.0100 -42.0100 -17.3056 -17.3056 -17.3056 -17.3056 -4.7921 -4.7921 -4.7921 -4.7921 -1.4928 -1.4928 -1.4928 -1.4928 -0.8404 -0.8404 -0.8404 -0.8404 8.1488 8.1488 8.1488 8.1488 10.1585 10.1585 10.1585 10.1585 k = 0.5000 0.5000 0.2764 ( 6504 PWs) bands (ev): -42.0100 -42.0100 -42.0100 -42.0100 -17.3050 -17.3050 -17.3050 -17.3050 -4.8009 -4.8009 -4.8009 -4.8009 -1.4735 -1.4735 -1.4735 -1.4735 -0.8629 -0.8629 -0.8629 -0.8629 8.2505 8.2505 8.2505 8.2505 10.1392 10.1392 10.1392 10.1392 k = 0.5000 0.5000 0.2875 ( 6504 PWs) bands (ev): -42.0100 -42.0100 -42.0100 -42.0100 -17.3044 -17.3044 -17.3044 -17.3044 -4.8093 -4.8093 -4.8093 -4.8093 -1.4537 -1.4537 -1.4537 -1.4537 -0.8856 -0.8856 -0.8856 -0.8856 8.3522 8.3522 8.3522 8.3522 10.1212 10.1212 10.1212 10.1212 k = 0.5000 0.5000 0.2985 ( 6516 PWs) bands (ev): -42.0100 -42.0100 -42.0100 -42.0100 -17.3039 -17.3039 -17.3039 -17.3039 -4.8171 -4.8171 -4.8171 -4.8171 -1.4336 -1.4336 -1.4336 -1.4336 -0.9085 -0.9085 -0.9085 -0.9085 8.4533 8.4533 8.4533 8.4533 10.1046 10.1046 10.1046 10.1046 k = 0.5000 0.5000 0.3096 ( 6508 PWs) bands (ev): -42.0100 -42.0100 -42.0100 -42.0100 -17.3034 -17.3034 -17.3034 -17.3034 -4.8243 -4.8243 -4.8243 -4.8243 -1.4132 -1.4132 -1.4132 -1.4132 -0.9314 -0.9314 -0.9314 -0.9314 8.5528 8.5528 8.5528 8.5528 10.0894 10.0894 10.0894 10.0894 k = 0.5000 0.5000 0.3206 ( 6500 PWs) bands (ev): -42.0100 -42.0100 -42.0100 -42.0100 -17.3030 -17.3030 -17.3030 -17.3030 -4.8309 -4.8309 -4.8309 -4.8309 -1.3927 -1.3927 -1.3927 -1.3927 -0.9542 -0.9542 -0.9542 -0.9542 8.6496 8.6496 8.6496 8.6496 10.0758 10.0758 10.0758 10.0758 k = 0.5000 0.5000 0.3317 ( 6508 PWs) bands (ev): -42.0100 -42.0100 -42.0100 -42.0100 -17.3026 -17.3026 -17.3026 -17.3026 -4.8369 -4.8369 -4.8369 -4.8369 -1.3723 -1.3723 -1.3723 -1.3723 -0.9767 -0.9767 -0.9767 -0.9767 8.7421 8.7421 8.7421 8.7421 10.0636 10.0636 10.0636 10.0636 k = 0.5000 0.5000 0.3428 ( 6500 PWs) bands (ev): -42.0100 -42.0100 -42.0100 -42.0100 -17.3022 -17.3022 -17.3022 -17.3022 -4.8421 -4.8421 -4.8421 -4.8421 -1.3522 -1.3522 -1.3522 -1.3522 -0.9987 -0.9987 -0.9987 -0.9987 8.8290 8.8290 8.8290 8.8290 10.0530 10.0530 10.0530 10.0530 k = 0.5000 0.5000 0.3538 ( 6500 PWs) bands (ev): -42.0100 -42.0100 -42.0100 -42.0100 -17.3019 -17.3019 -17.3019 -17.3019 -4.8466 -4.8466 -4.8466 -4.8466 -1.3326 -1.3326 -1.3326 -1.3326 -1.0199 -1.0199 -1.0199 -1.0199 8.9081 8.9081 8.9081 8.9081 10.0440 10.0440 10.0440 10.0440 k = 0.5000 0.5000 0.3649 ( 6524 PWs) bands (ev): -42.0100 -42.0100 -42.0100 -42.0100 -17.3016 -17.3016 -17.3016 -17.3016 -4.8503 -4.8503 -4.8503 -4.8503 -1.3142 -1.3142 -1.3142 -1.3142 -1.0396 -1.0396 -1.0396 -1.0396 8.9775 8.9775 8.9775 8.9775 10.0366 10.0366 10.0366 10.0366 k = 0.5000 0.5000 0.3759 ( 6524 PWs) bands (ev): -42.0100 -42.0100 -42.0100 -42.0100 -17.3014 -17.3014 -17.3014 -17.3014 -4.8532 -4.8532 -4.8532 -4.8532 -1.2976 -1.2976 -1.2976 -1.2976 -1.0573 -1.0573 -1.0573 -1.0573 9.0348 9.0348 9.0348 9.0348 10.0308 10.0308 10.0308 10.0308 k = 0.5000 0.5000 0.3870 ( 6524 PWs) bands (ev): -42.0100 -42.0100 -42.0100 -42.0100 -17.3013 -17.3013 -17.3013 -17.3013 -4.8553 -4.8553 -4.8553 -4.8553 -1.2839 -1.2839 -1.2839 -1.2839 -1.0716 -1.0716 -1.0716 -1.0716 9.0778 9.0778 9.0778 9.0778 10.0266 10.0266 10.0266 10.0266 k = 0.5000 0.5000 0.3980 ( 6540 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3012 -17.3012 -17.3012 -17.3012 -4.8565 -4.8565 -4.8565 -4.8565 -1.2748 -1.2748 -1.2748 -1.2748 -1.0813 -1.0813 -1.0813 -1.0813 9.1045 9.1045 9.1045 9.1045 10.0241 10.0241 10.0241 10.0241 k = 0.5000 0.5000 0.4091 ( 6552 PWs) bands (ev): -42.0101 -42.0101 -42.0101 -42.0101 -17.3012 -17.3012 -17.3012 -17.3012 -4.8569 -4.8569 -4.8569 -4.8569 -1.2715 -1.2715 -1.2715 -1.2715 -1.0847 -1.0847 -1.0847 -1.0847 9.1136 9.1136 9.1136 9.1136 10.0233 10.0233 10.0233 10.0233 Writing output data file LiHO.save init_run : 0.08s CPU 0.20s WALL ( 1 calls) electrons : 110.23s CPU 112.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 110.23s CPU 112.21s 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 : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 426 calls) cegterg : 100.10s CPU 101.49s WALL ( 585 calls) Called by sum_band: Called by *egterg: h_psi : 65.90s CPU 66.87s WALL ( 9794 calls) s_psi : 1.12s CPU 1.18s WALL ( 9794 calls) g_psi : 0.23s CPU 0.25s WALL ( 8783 calls) cdiaghg : 30.71s CPU 31.24s WALL ( 9209 calls) cegterg:over : 3.62s CPU 3.65s WALL ( 8783 calls) cegterg:upda : 3.71s CPU 3.65s WALL ( 8783 calls) cegterg:last : 1.64s CPU 1.68s WALL ( 1442 calls) cdiaghg:chol : 1.67s CPU 1.73s WALL ( 9209 calls) cdiaghg:inve : 0.69s CPU 0.62s WALL ( 9209 calls) cdiaghg:para : 1.95s CPU 1.94s WALL ( 18418 calls) Called by h_psi: h_psi:vloc : 62.20s CPU 63.24s WALL ( 9794 calls) h_psi:vnl : 3.55s CPU 3.46s WALL ( 9794 calls) add_vuspsi : 1.30s CPU 1.34s WALL ( 9794 calls) General routines calbec : 2.22s CPU 2.10s WALL ( 9794 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 59.08s CPU 60.13s WALL ( 561452 calls) davcio : 0.20s CPU 0.22s WALL ( 852 calls) Parallel routines fft_scatter : 19.18s CPU 19.66s WALL ( 561467 calls) PWSCF : 2m 5.16s CPU 2m19.90s WALL This run was terminated on: 19:56:51 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=