Program PWSCF v.5.4.0 starts on 12Feb2017 at 1:51:16 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./BH6N.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 49 27 8 2103 887 143 Max 51 28 10 2106 903 145 Sum 1771 991 299 75743 32227 5189 bravais-lattice index = 14 lattice parameter (alat) = 8.2815 a.u. unit-cell volume = 765.7007 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.281533 celldm(2)= 1.000000 celldm(3)= 1.350858 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.063701 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.063701 0.997969 0.000000 ) a(3) = ( 0.000000 0.000000 1.350858 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.063831 -0.000000 ) b(2) = ( 0.000000 1.002035 -0.000000 ) b(3) = ( 0.000000 0.000000 0.740270 ) PseudoPot. # 1 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. # 2 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 H 1.00 1.00790 H( 1.00) B 3.00 10.81100 B( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6754292 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 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 [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 396 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 2) = ( 0.0094011 0.0100203 -0.0000000), wk = 0.0025253 k( 3) = ( 0.0188023 0.0200407 -0.0000000), wk = 0.0025253 k( 4) = ( 0.0282034 0.0300611 -0.0000000), wk = 0.0025253 k( 5) = ( 0.0376045 0.0400814 -0.0000000), wk = 0.0025253 k( 6) = ( 0.0470057 0.0501018 -0.0000000), wk = 0.0025253 k( 7) = ( 0.0564068 0.0601221 -0.0000000), wk = 0.0025253 k( 8) = ( 0.0658079 0.0701425 -0.0000000), wk = 0.0025253 k( 9) = ( 0.0752091 0.0801628 -0.0000000), wk = 0.0025253 k( 10) = ( 0.0846102 0.0901832 -0.0000000), wk = 0.0025253 k( 11) = ( 0.0940113 0.1002035 -0.0000000), wk = 0.0025253 k( 12) = ( 0.1034125 0.1102239 -0.0000000), wk = 0.0025253 k( 13) = ( 0.1128136 0.1202442 -0.0000000), wk = 0.0025253 k( 14) = ( 0.1222147 0.1302646 -0.0000000), wk = 0.0025253 k( 15) = ( 0.1316159 0.1402849 -0.0000000), wk = 0.0025253 k( 16) = ( 0.1410170 0.1503053 -0.0000000), wk = 0.0025253 k( 17) = ( 0.1504181 0.1603256 -0.0000000), wk = 0.0025253 k( 18) = ( 0.1598193 0.1703460 -0.0000000), wk = 0.0025253 k( 19) = ( 0.1692204 0.1803663 -0.0000000), wk = 0.0025253 k( 20) = ( 0.1786215 0.1903867 -0.0000000), wk = 0.0025253 k( 21) = ( 0.1880227 0.2004070 -0.0000000), wk = 0.0025253 k( 22) = ( 0.1974238 0.2104274 -0.0000000), wk = 0.0025253 k( 23) = ( 0.2068249 0.2204477 -0.0000000), wk = 0.0025253 k( 24) = ( 0.2162261 0.2304681 -0.0000000), wk = 0.0025253 k( 25) = ( 0.2256272 0.2404884 -0.0000000), wk = 0.0025253 k( 26) = ( 0.2350283 0.2505088 -0.0000000), wk = 0.0025253 k( 27) = ( 0.2444295 0.2605291 -0.0000000), wk = 0.0025253 k( 28) = ( 0.2538306 0.2705495 -0.0000000), wk = 0.0025253 k( 29) = ( 0.2632317 0.2805698 -0.0000000), wk = 0.0025253 k( 30) = ( 0.2726329 0.2905902 -0.0000000), wk = 0.0025253 k( 31) = ( 0.2820340 0.3006105 -0.0000000), wk = 0.0025253 k( 32) = ( 0.2914351 0.3106309 -0.0000000), wk = 0.0025253 k( 33) = ( 0.3008363 0.3206512 -0.0000000), wk = 0.0025253 k( 34) = ( 0.3102374 0.3306716 -0.0000000), wk = 0.0025253 k( 35) = ( 0.3196386 0.3406919 -0.0000000), wk = 0.0025253 k( 36) = ( 0.3290397 0.3507123 -0.0000000), wk = 0.0025253 k( 37) = ( 0.3384408 0.3607327 -0.0000000), wk = 0.0025253 k( 38) = ( 0.3478420 0.3707530 -0.0000000), wk = 0.0025253 k( 39) = ( 0.3572431 0.3807733 -0.0000000), wk = 0.0025253 k( 40) = ( 0.3666442 0.3907937 -0.0000000), wk = 0.0025253 k( 41) = ( 0.3760454 0.4008141 -0.0000000), wk = 0.0025253 k( 42) = ( 0.3854465 0.4108344 -0.0000000), wk = 0.0025253 k( 43) = ( 0.3948476 0.4208548 -0.0000000), wk = 0.0025253 k( 44) = ( 0.4042487 0.4308751 -0.0000000), wk = 0.0025253 k( 45) = ( 0.4136499 0.4408955 -0.0000000), wk = 0.0025253 k( 46) = ( 0.4230510 0.4509158 -0.0000000), wk = 0.0025253 k( 47) = ( 0.4324521 0.4609362 -0.0000000), wk = 0.0025253 k( 48) = ( 0.4418533 0.4709565 -0.0000000), wk = 0.0025253 k( 49) = ( 0.4512544 0.4809769 -0.0000000), wk = 0.0025253 k( 50) = ( 0.4606556 0.4909972 -0.0000000), wk = 0.0025253 k( 51) = ( 0.4700567 0.5010176 -0.0000000), wk = 0.0025253 k( 52) = ( 0.4700567 0.5010176 -0.0000000), wk = 0.0025253 k( 53) = ( 0.4562315 0.5010176 -0.0000000), wk = 0.0025253 k( 54) = ( 0.4424063 0.5010176 -0.0000000), wk = 0.0025253 k( 55) = ( 0.4285811 0.5010176 -0.0000000), wk = 0.0025253 k( 56) = ( 0.4147559 0.5010176 -0.0000000), wk = 0.0025253 k( 57) = ( 0.4009307 0.5010176 -0.0000000), wk = 0.0025253 k( 58) = ( 0.3871055 0.5010176 -0.0000000), wk = 0.0025253 k( 59) = ( 0.3732803 0.5010176 -0.0000000), wk = 0.0025253 k( 60) = ( 0.3594551 0.5010176 -0.0000000), wk = 0.0025253 k( 61) = ( 0.3456299 0.5010176 -0.0000000), wk = 0.0025253 k( 62) = ( 0.3318047 0.5010176 -0.0000000), wk = 0.0025253 k( 63) = ( 0.3179795 0.5010176 -0.0000000), wk = 0.0025253 k( 64) = ( 0.3041543 0.5010176 -0.0000000), wk = 0.0025253 k( 65) = ( 0.2903291 0.5010176 -0.0000000), wk = 0.0025253 k( 66) = ( 0.2765039 0.5010176 -0.0000000), wk = 0.0025253 k( 67) = ( 0.2626787 0.5010176 -0.0000000), wk = 0.0025253 k( 68) = ( 0.2488535 0.5010176 -0.0000000), wk = 0.0025253 k( 69) = ( 0.2350283 0.5010176 -0.0000000), wk = 0.0025253 k( 70) = ( 0.2212031 0.5010176 -0.0000000), wk = 0.0025253 k( 71) = ( 0.2073780 0.5010176 -0.0000000), wk = 0.0025253 k( 72) = ( 0.1935527 0.5010176 -0.0000000), wk = 0.0025253 k( 73) = ( 0.1797276 0.5010176 -0.0000000), wk = 0.0025253 k( 74) = ( 0.1659024 0.5010176 -0.0000000), wk = 0.0025253 k( 75) = ( 0.1520772 0.5010176 -0.0000000), wk = 0.0025253 k( 76) = ( 0.1382520 0.5010176 -0.0000000), wk = 0.0025253 k( 77) = ( 0.1244268 0.5010176 -0.0000000), wk = 0.0025253 k( 78) = ( 0.1106016 0.5010176 -0.0000000), wk = 0.0025253 k( 79) = ( 0.0967764 0.5010176 -0.0000000), wk = 0.0025253 k( 80) = ( 0.0829512 0.5010176 -0.0000000), wk = 0.0025253 k( 81) = ( 0.0691260 0.5010176 -0.0000000), wk = 0.0025253 k( 82) = ( 0.0553008 0.5010176 -0.0000000), wk = 0.0025253 k( 83) = ( 0.0414756 0.5010176 -0.0000000), wk = 0.0025253 k( 84) = ( 0.0276504 0.5010176 -0.0000000), wk = 0.0025253 k( 85) = ( 0.0138252 0.5010176 -0.0000000), wk = 0.0025253 k( 86) = ( 0.0000000 0.5010176 -0.0000000), wk = 0.0025253 k( 87) = ( 0.0000000 0.5010176 -0.0000000), wk = 0.0025253 k( 88) = ( 0.0000000 0.5010176 0.0137087), wk = 0.0025253 k( 89) = ( 0.0000000 0.5010176 0.0274174), wk = 0.0025253 k( 90) = ( 0.0000000 0.5010176 0.0411261), wk = 0.0025253 k( 91) = ( 0.0000000 0.5010176 0.0548348), wk = 0.0025253 k( 92) = ( 0.0000000 0.5010176 0.0685435), wk = 0.0025253 k( 93) = ( 0.0000000 0.5010176 0.0822522), wk = 0.0025253 k( 94) = ( 0.0000000 0.5010176 0.0959609), wk = 0.0025253 k( 95) = ( 0.0000000 0.5010176 0.1096696), wk = 0.0025253 k( 96) = ( 0.0000000 0.5010176 0.1233783), wk = 0.0025253 k( 97) = ( 0.0000000 0.5010176 0.1370870), wk = 0.0025253 k( 98) = ( 0.0000000 0.5010176 0.1507957), wk = 0.0025253 k( 99) = ( 0.0000000 0.5010176 0.1645045), wk = 0.0025253 k( 100) = ( 0.0000000 0.5010176 0.1782132), wk = 0.0025253 k( 101) = ( 0.0000000 0.5010176 0.1919219), wk = 0.0025253 k( 102) = ( 0.0000000 0.5010176 0.2056306), wk = 0.0025253 k( 103) = ( 0.0000000 0.5010176 0.2193393), wk = 0.0025253 k( 104) = ( 0.0000000 0.5010176 0.2330480), wk = 0.0025253 k( 105) = ( 0.0000000 0.5010176 0.2467567), wk = 0.0025253 k( 106) = ( 0.0000000 0.5010176 0.2604654), wk = 0.0025253 k( 107) = ( 0.0000000 0.5010176 0.2741741), wk = 0.0025253 k( 108) = ( 0.0000000 0.5010176 0.2878828), wk = 0.0025253 k( 109) = ( 0.0000000 0.5010176 0.3015915), wk = 0.0025253 k( 110) = ( 0.0000000 0.5010176 0.3153002), wk = 0.0025253 k( 111) = ( 0.0000000 0.5010176 0.3290089), wk = 0.0025253 k( 112) = ( 0.0000000 0.5010176 0.3427176), wk = 0.0025253 k( 113) = ( 0.0000000 0.5010176 0.3564263), wk = 0.0025253 k( 114) = ( 0.0000000 0.5010176 0.3701350), wk = 0.0025253 k( 115) = ( 0.0000000 0.5010176 0.3701350), wk = 0.0025253 k( 116) = ( 0.0138252 0.5010176 0.3701350), wk = 0.0025253 k( 117) = ( 0.0276504 0.5010176 0.3701350), wk = 0.0025253 k( 118) = ( 0.0414756 0.5010176 0.3701350), wk = 0.0025253 k( 119) = ( 0.0553008 0.5010176 0.3701350), wk = 0.0025253 k( 120) = ( 0.0691260 0.5010176 0.3701350), wk = 0.0025253 k( 121) = ( 0.0829512 0.5010176 0.3701350), wk = 0.0025253 k( 122) = ( 0.0967764 0.5010176 0.3701350), wk = 0.0025253 k( 123) = ( 0.1106016 0.5010176 0.3701350), wk = 0.0025253 k( 124) = ( 0.1244268 0.5010176 0.3701350), wk = 0.0025253 k( 125) = ( 0.1382520 0.5010176 0.3701350), wk = 0.0025253 k( 126) = ( 0.1520772 0.5010176 0.3701350), wk = 0.0025253 k( 127) = ( 0.1659024 0.5010176 0.3701350), wk = 0.0025253 k( 128) = ( 0.1797276 0.5010176 0.3701350), wk = 0.0025253 k( 129) = ( 0.1935527 0.5010176 0.3701350), wk = 0.0025253 k( 130) = ( 0.2073780 0.5010176 0.3701350), wk = 0.0025253 k( 131) = ( 0.2212031 0.5010176 0.3701350), wk = 0.0025253 k( 132) = ( 0.2350283 0.5010176 0.3701350), wk = 0.0025253 k( 133) = ( 0.2488535 0.5010176 0.3701350), wk = 0.0025253 k( 134) = ( 0.2626787 0.5010176 0.3701350), wk = 0.0025253 k( 135) = ( 0.2765039 0.5010176 0.3701350), wk = 0.0025253 k( 136) = ( 0.2903291 0.5010176 0.3701350), wk = 0.0025253 k( 137) = ( 0.3041543 0.5010176 0.3701350), wk = 0.0025253 k( 138) = ( 0.3179795 0.5010176 0.3701350), wk = 0.0025253 k( 139) = ( 0.3318047 0.5010176 0.3701350), wk = 0.0025253 k( 140) = ( 0.3456299 0.5010176 0.3701350), wk = 0.0025253 k( 141) = ( 0.3594551 0.5010176 0.3701350), wk = 0.0025253 k( 142) = ( 0.3732803 0.5010176 0.3701350), wk = 0.0025253 k( 143) = ( 0.3871055 0.5010176 0.3701350), wk = 0.0025253 k( 144) = ( 0.4009307 0.5010176 0.3701350), wk = 0.0025253 k( 145) = ( 0.4147559 0.5010176 0.3701350), wk = 0.0025253 k( 146) = ( 0.4285811 0.5010176 0.3701350), wk = 0.0025253 k( 147) = ( 0.4424063 0.5010176 0.3701350), wk = 0.0025253 k( 148) = ( 0.4562315 0.5010176 0.3701350), wk = 0.0025253 k( 149) = ( 0.4700567 0.5010176 0.3701350), wk = 0.0025253 k( 150) = ( 0.4700567 0.5010176 0.3701350), wk = 0.0025253 k( 151) = ( 0.4606556 0.4909972 0.3701350), wk = 0.0025253 k( 152) = ( 0.4512544 0.4809769 0.3701350), wk = 0.0025253 k( 153) = ( 0.4418533 0.4709565 0.3701350), wk = 0.0025253 k( 154) = ( 0.4324521 0.4609362 0.3701350), wk = 0.0025253 k( 155) = ( 0.4230510 0.4509158 0.3701350), wk = 0.0025253 k( 156) = ( 0.4136499 0.4408955 0.3701350), wk = 0.0025253 k( 157) = ( 0.4042487 0.4308751 0.3701350), wk = 0.0025253 k( 158) = ( 0.3948476 0.4208548 0.3701350), wk = 0.0025253 k( 159) = ( 0.3854465 0.4108344 0.3701350), wk = 0.0025253 k( 160) = ( 0.3760454 0.4008141 0.3701350), wk = 0.0025253 k( 161) = ( 0.3666442 0.3907937 0.3701350), wk = 0.0025253 k( 162) = ( 0.3572431 0.3807733 0.3701350), wk = 0.0025253 k( 163) = ( 0.3478420 0.3707530 0.3701350), wk = 0.0025253 k( 164) = ( 0.3384408 0.3607327 0.3701350), wk = 0.0025253 k( 165) = ( 0.3290397 0.3507123 0.3701350), wk = 0.0025253 k( 166) = ( 0.3196386 0.3406919 0.3701350), wk = 0.0025253 k( 167) = ( 0.3102374 0.3306716 0.3701350), wk = 0.0025253 k( 168) = ( 0.3008363 0.3206512 0.3701350), wk = 0.0025253 k( 169) = ( 0.2914351 0.3106309 0.3701350), wk = 0.0025253 k( 170) = ( 0.2820340 0.3006105 0.3701350), wk = 0.0025253 k( 171) = ( 0.2726329 0.2905902 0.3701350), wk = 0.0025253 k( 172) = ( 0.2632317 0.2805698 0.3701350), wk = 0.0025253 k( 173) = ( 0.2538306 0.2705495 0.3701350), wk = 0.0025253 k( 174) = ( 0.2444295 0.2605291 0.3701350), wk = 0.0025253 k( 175) = ( 0.2350283 0.2505088 0.3701350), wk = 0.0025253 k( 176) = ( 0.2256272 0.2404884 0.3701350), wk = 0.0025253 k( 177) = ( 0.2162261 0.2304681 0.3701350), wk = 0.0025253 k( 178) = ( 0.2068249 0.2204477 0.3701350), wk = 0.0025253 k( 179) = ( 0.1974238 0.2104274 0.3701350), wk = 0.0025253 k( 180) = ( 0.1880227 0.2004070 0.3701350), wk = 0.0025253 k( 181) = ( 0.1786215 0.1903867 0.3701350), wk = 0.0025253 k( 182) = ( 0.1692204 0.1803663 0.3701350), wk = 0.0025253 k( 183) = ( 0.1598193 0.1703460 0.3701350), wk = 0.0025253 k( 184) = ( 0.1504181 0.1603256 0.3701350), wk = 0.0025253 k( 185) = ( 0.1410170 0.1503053 0.3701350), wk = 0.0025253 k( 186) = ( 0.1316159 0.1402849 0.3701350), wk = 0.0025253 k( 187) = ( 0.1222147 0.1302646 0.3701350), wk = 0.0025253 k( 188) = ( 0.1128136 0.1202442 0.3701350), wk = 0.0025253 k( 189) = ( 0.1034125 0.1102239 0.3701350), wk = 0.0025253 k( 190) = ( 0.0940113 0.1002035 0.3701350), wk = 0.0025253 k( 191) = ( 0.0846102 0.0901832 0.3701350), wk = 0.0025253 k( 192) = ( 0.0752091 0.0801628 0.3701350), wk = 0.0025253 k( 193) = ( 0.0658079 0.0701425 0.3701350), wk = 0.0025253 k( 194) = ( 0.0564068 0.0601221 0.3701350), wk = 0.0025253 k( 195) = ( 0.0470057 0.0501018 0.3701350), wk = 0.0025253 k( 196) = ( 0.0376045 0.0400814 0.3701350), wk = 0.0025253 k( 197) = ( 0.0282034 0.0300611 0.3701350), wk = 0.0025253 k( 198) = ( 0.0188023 0.0200407 0.3701350), wk = 0.0025253 k( 199) = ( 0.0094011 0.0100203 0.3701350), wk = 0.0025253 k( 200) = ( 0.0000000 0.0000000 0.3701350), wk = 0.0025253 k( 201) = ( 0.0000000 0.0000000 0.3701350), wk = 0.0025253 k( 202) = ( 0.0000000 0.0000000 0.3564263), wk = 0.0025253 k( 203) = ( 0.0000000 0.0000000 0.3427176), wk = 0.0025253 k( 204) = ( 0.0000000 0.0000000 0.3290089), wk = 0.0025253 k( 205) = ( 0.0000000 0.0000000 0.3153002), wk = 0.0025253 k( 206) = ( 0.0000000 0.0000000 0.3015915), wk = 0.0025253 k( 207) = ( 0.0000000 0.0000000 0.2878828), wk = 0.0025253 k( 208) = ( 0.0000000 0.0000000 0.2741741), wk = 0.0025253 k( 209) = ( 0.0000000 0.0000000 0.2604654), wk = 0.0025253 k( 210) = ( 0.0000000 0.0000000 0.2467567), wk = 0.0025253 k( 211) = ( 0.0000000 0.0000000 0.2330480), wk = 0.0025253 k( 212) = ( 0.0000000 0.0000000 0.2193393), wk = 0.0025253 k( 213) = ( 0.0000000 0.0000000 0.2056306), wk = 0.0025253 k( 214) = ( 0.0000000 0.0000000 0.1919219), wk = 0.0025253 k( 215) = ( 0.0000000 0.0000000 0.1782132), wk = 0.0025253 k( 216) = ( 0.0000000 0.0000000 0.1645045), wk = 0.0025253 k( 217) = ( 0.0000000 0.0000000 0.1507957), wk = 0.0025253 k( 218) = ( 0.0000000 0.0000000 0.1370870), wk = 0.0025253 k( 219) = ( 0.0000000 0.0000000 0.1233783), wk = 0.0025253 k( 220) = ( 0.0000000 0.0000000 0.1096696), wk = 0.0025253 k( 221) = ( 0.0000000 0.0000000 0.0959609), wk = 0.0025253 k( 222) = ( 0.0000000 0.0000000 0.0822522), wk = 0.0025253 k( 223) = ( 0.0000000 0.0000000 0.0685435), wk = 0.0025253 k( 224) = ( 0.0000000 0.0000000 0.0548348), wk = 0.0025253 k( 225) = ( 0.0000000 0.0000000 0.0411261), wk = 0.0025253 k( 226) = ( 0.0000000 0.0000000 0.0274174), wk = 0.0025253 k( 227) = ( 0.0000000 0.0000000 0.0137087), wk = 0.0025253 k( 228) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 229) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 230) = ( -0.0100000 0.0093820 0.0000000), wk = 0.0025253 k( 231) = ( -0.0200000 0.0187641 0.0000000), wk = 0.0025253 k( 232) = ( -0.0300000 0.0281461 0.0000000), wk = 0.0025253 k( 233) = ( -0.0400000 0.0375282 0.0000000), wk = 0.0025253 k( 234) = ( -0.0500000 0.0469102 0.0000000), wk = 0.0025253 k( 235) = ( -0.0600000 0.0562922 0.0000000), wk = 0.0025253 k( 236) = ( -0.0700000 0.0656743 0.0000000), wk = 0.0025253 k( 237) = ( -0.0800000 0.0750563 0.0000000), wk = 0.0025253 k( 238) = ( -0.0900000 0.0844384 0.0000000), wk = 0.0025253 k( 239) = ( -0.1000000 0.0938204 0.0000000), wk = 0.0025253 k( 240) = ( -0.1100000 0.1032024 0.0000000), wk = 0.0025253 k( 241) = ( -0.1200000 0.1125845 0.0000000), wk = 0.0025253 k( 242) = ( -0.1300000 0.1219665 0.0000000), wk = 0.0025253 k( 243) = ( -0.1400000 0.1313486 0.0000000), wk = 0.0025253 k( 244) = ( -0.1500000 0.1407306 0.0000000), wk = 0.0025253 k( 245) = ( -0.1600000 0.1501126 0.0000000), wk = 0.0025253 k( 246) = ( -0.1700000 0.1594947 0.0000000), wk = 0.0025253 k( 247) = ( -0.1800000 0.1688767 0.0000000), wk = 0.0025253 k( 248) = ( -0.1900000 0.1782588 0.0000000), wk = 0.0025253 k( 249) = ( -0.2000000 0.1876408 0.0000000), wk = 0.0025253 k( 250) = ( -0.2100000 0.1970228 0.0000000), wk = 0.0025253 k( 251) = ( -0.2200000 0.2064049 0.0000000), wk = 0.0025253 k( 252) = ( -0.2300000 0.2157869 0.0000000), wk = 0.0025253 k( 253) = ( -0.2400000 0.2251690 0.0000000), wk = 0.0025253 k( 254) = ( -0.2500000 0.2345510 0.0000000), wk = 0.0025253 k( 255) = ( -0.2600000 0.2439330 0.0000000), wk = 0.0025253 k( 256) = ( -0.2700000 0.2533151 0.0000000), wk = 0.0025253 k( 257) = ( -0.2800000 0.2626971 0.0000000), wk = 0.0025253 k( 258) = ( -0.2900000 0.2720792 0.0000000), wk = 0.0025253 k( 259) = ( -0.3000000 0.2814612 0.0000000), wk = 0.0025253 k( 260) = ( -0.3100000 0.2908432 0.0000000), wk = 0.0025253 k( 261) = ( -0.3200000 0.3002253 0.0000000), wk = 0.0025253 k( 262) = ( -0.3300000 0.3096073 0.0000000), wk = 0.0025253 k( 263) = ( -0.3400000 0.3189894 0.0000000), wk = 0.0025253 k( 264) = ( -0.3500000 0.3283714 0.0000000), wk = 0.0025253 k( 265) = ( -0.3600000 0.3377534 0.0000000), wk = 0.0025253 k( 266) = ( -0.3700000 0.3471355 0.0000000), wk = 0.0025253 k( 267) = ( -0.3800000 0.3565175 0.0000000), wk = 0.0025253 k( 268) = ( -0.3900000 0.3658996 0.0000000), wk = 0.0025253 k( 269) = ( -0.4000000 0.3752816 0.0000000), wk = 0.0025253 k( 270) = ( -0.4100000 0.3846636 0.0000000), wk = 0.0025253 k( 271) = ( -0.4200000 0.3940457 0.0000000), wk = 0.0025253 k( 272) = ( -0.4300000 0.4034277 0.0000000), wk = 0.0025253 k( 273) = ( -0.4400000 0.4128098 0.0000000), wk = 0.0025253 k( 274) = ( -0.4500000 0.4221918 0.0000000), wk = 0.0025253 k( 275) = ( -0.4600000 0.4315738 0.0000000), wk = 0.0025253 k( 276) = ( -0.4700000 0.4409559 0.0000000), wk = 0.0025253 k( 277) = ( -0.4800000 0.4503379 0.0000000), wk = 0.0025253 k( 278) = ( -0.4900000 0.4597200 0.0000000), wk = 0.0025253 k( 279) = ( -0.5000000 0.4691020 0.0000000), wk = 0.0025253 k( 280) = ( -0.5000000 0.4691020 0.0000000), wk = 0.0025253 k( 281) = ( -0.4925142 0.4770809 -0.0000000), wk = 0.0025253 k( 282) = ( -0.4850283 0.4850598 -0.0000000), wk = 0.0025253 k( 283) = ( -0.4775425 0.4930387 -0.0000000), wk = 0.0025253 k( 284) = ( -0.4700567 0.5010176 -0.0000000), wk = 0.0025253 k( 285) = ( -0.4700567 0.5010176 -0.0000000), wk = 0.0025253 k( 286) = ( -0.4700567 0.5010176 0.0137087), wk = 0.0025253 k( 287) = ( -0.4700567 0.5010176 0.0274174), wk = 0.0025253 k( 288) = ( -0.4700567 0.5010176 0.0411261), wk = 0.0025253 k( 289) = ( -0.4700567 0.5010176 0.0548348), wk = 0.0025253 k( 290) = ( -0.4700567 0.5010176 0.0685435), wk = 0.0025253 k( 291) = ( -0.4700567 0.5010176 0.0822522), wk = 0.0025253 k( 292) = ( -0.4700567 0.5010176 0.0959609), wk = 0.0025253 k( 293) = ( -0.4700567 0.5010176 0.1096696), wk = 0.0025253 k( 294) = ( -0.4700567 0.5010176 0.1233783), wk = 0.0025253 k( 295) = ( -0.4700567 0.5010176 0.1370870), wk = 0.0025253 k( 296) = ( -0.4700567 0.5010176 0.1507957), wk = 0.0025253 k( 297) = ( -0.4700567 0.5010176 0.1645045), wk = 0.0025253 k( 298) = ( -0.4700567 0.5010176 0.1782132), wk = 0.0025253 k( 299) = ( -0.4700567 0.5010176 0.1919219), wk = 0.0025253 k( 300) = ( -0.4700567 0.5010176 0.2056306), wk = 0.0025253 k( 301) = ( -0.4700567 0.5010176 0.2193393), wk = 0.0025253 k( 302) = ( -0.4700567 0.5010176 0.2330480), wk = 0.0025253 k( 303) = ( -0.4700567 0.5010176 0.2467567), wk = 0.0025253 k( 304) = ( -0.4700567 0.5010176 0.2604654), wk = 0.0025253 k( 305) = ( -0.4700567 0.5010176 0.2741741), wk = 0.0025253 k( 306) = ( -0.4700567 0.5010176 0.2878828), wk = 0.0025253 k( 307) = ( -0.4700567 0.5010176 0.3015915), wk = 0.0025253 k( 308) = ( -0.4700567 0.5010176 0.3153002), wk = 0.0025253 k( 309) = ( -0.4700567 0.5010176 0.3290089), wk = 0.0025253 k( 310) = ( -0.4700567 0.5010176 0.3427176), wk = 0.0025253 k( 311) = ( -0.4700567 0.5010176 0.3564263), wk = 0.0025253 k( 312) = ( -0.4700567 0.5010176 0.3701350), wk = 0.0025253 k( 313) = ( -0.4700567 0.5010176 0.3701350), wk = 0.0025253 k( 314) = ( -0.4775425 0.4930387 0.3701350), wk = 0.0025253 k( 315) = ( -0.4850283 0.4850598 0.3701350), wk = 0.0025253 k( 316) = ( -0.4925142 0.4770809 0.3701350), wk = 0.0025253 k( 317) = ( -0.5000000 0.4691020 0.3701350), wk = 0.0025253 k( 318) = ( -0.5000000 0.4691020 0.3701350), wk = 0.0025253 k( 319) = ( -0.5000000 0.4691020 0.3564263), wk = 0.0025253 k( 320) = ( -0.5000000 0.4691020 0.3427176), wk = 0.0025253 k( 321) = ( -0.5000000 0.4691020 0.3290089), wk = 0.0025253 k( 322) = ( -0.5000000 0.4691020 0.3153002), wk = 0.0025253 k( 323) = ( -0.5000000 0.4691020 0.3015915), wk = 0.0025253 k( 324) = ( -0.5000000 0.4691020 0.2878828), wk = 0.0025253 k( 325) = ( -0.5000000 0.4691020 0.2741741), wk = 0.0025253 k( 326) = ( -0.5000000 0.4691020 0.2604654), wk = 0.0025253 k( 327) = ( -0.5000000 0.4691020 0.2467567), wk = 0.0025253 k( 328) = ( -0.5000000 0.4691020 0.2330480), wk = 0.0025253 k( 329) = ( -0.5000000 0.4691020 0.2193393), wk = 0.0025253 k( 330) = ( -0.5000000 0.4691020 0.2056306), wk = 0.0025253 k( 331) = ( -0.5000000 0.4691020 0.1919219), wk = 0.0025253 k( 332) = ( -0.5000000 0.4691020 0.1782132), wk = 0.0025253 k( 333) = ( -0.5000000 0.4691020 0.1645045), wk = 0.0025253 k( 334) = ( -0.5000000 0.4691020 0.1507957), wk = 0.0025253 k( 335) = ( -0.5000000 0.4691020 0.1370870), wk = 0.0025253 k( 336) = ( -0.5000000 0.4691020 0.1233783), wk = 0.0025253 k( 337) = ( -0.5000000 0.4691020 0.1096696), wk = 0.0025253 k( 338) = ( -0.5000000 0.4691020 0.0959609), wk = 0.0025253 k( 339) = ( -0.5000000 0.4691020 0.0822522), wk = 0.0025253 k( 340) = ( -0.5000000 0.4691020 0.0685435), wk = 0.0025253 k( 341) = ( -0.5000000 0.4691020 0.0548348), wk = 0.0025253 k( 342) = ( -0.5000000 0.4691020 0.0411261), wk = 0.0025253 k( 343) = ( -0.5000000 0.4691020 0.0274174), wk = 0.0025253 k( 344) = ( -0.5000000 0.4691020 0.0137087), wk = 0.0025253 k( 345) = ( -0.5000000 0.4691020 0.0000000), wk = 0.0025253 k( 346) = ( 0.0000000 0.0000000 0.3701350), wk = 0.0025253 k( 347) = ( -0.0100000 0.0093820 0.3701350), wk = 0.0025253 k( 348) = ( -0.0200000 0.0187641 0.3701350), wk = 0.0025253 k( 349) = ( -0.0300000 0.0281461 0.3701350), wk = 0.0025253 k( 350) = ( -0.0400000 0.0375282 0.3701350), wk = 0.0025253 k( 351) = ( -0.0500000 0.0469102 0.3701350), wk = 0.0025253 k( 352) = ( -0.0600000 0.0562922 0.3701350), wk = 0.0025253 k( 353) = ( -0.0700000 0.0656743 0.3701350), wk = 0.0025253 k( 354) = ( -0.0800000 0.0750563 0.3701350), wk = 0.0025253 k( 355) = ( -0.0900000 0.0844384 0.3701350), wk = 0.0025253 k( 356) = ( -0.1000000 0.0938204 0.3701350), wk = 0.0025253 k( 357) = ( -0.1100000 0.1032024 0.3701350), wk = 0.0025253 k( 358) = ( -0.1200000 0.1125845 0.3701350), wk = 0.0025253 k( 359) = ( -0.1300000 0.1219665 0.3701350), wk = 0.0025253 k( 360) = ( -0.1400000 0.1313486 0.3701350), wk = 0.0025253 k( 361) = ( -0.1500000 0.1407306 0.3701350), wk = 0.0025253 k( 362) = ( -0.1600000 0.1501126 0.3701350), wk = 0.0025253 k( 363) = ( -0.1700000 0.1594947 0.3701350), wk = 0.0025253 k( 364) = ( -0.1800000 0.1688767 0.3701350), wk = 0.0025253 k( 365) = ( -0.1900000 0.1782588 0.3701350), wk = 0.0025253 k( 366) = ( -0.2000000 0.1876408 0.3701350), wk = 0.0025253 k( 367) = ( -0.2100000 0.1970228 0.3701350), wk = 0.0025253 k( 368) = ( -0.2200000 0.2064049 0.3701350), wk = 0.0025253 k( 369) = ( -0.2300000 0.2157869 0.3701350), wk = 0.0025253 k( 370) = ( -0.2400000 0.2251690 0.3701350), wk = 0.0025253 k( 371) = ( -0.2500000 0.2345510 0.3701350), wk = 0.0025253 k( 372) = ( -0.2600000 0.2439330 0.3701350), wk = 0.0025253 k( 373) = ( -0.2700000 0.2533151 0.3701350), wk = 0.0025253 k( 374) = ( -0.2800000 0.2626971 0.3701350), wk = 0.0025253 k( 375) = ( -0.2900000 0.2720792 0.3701350), wk = 0.0025253 k( 376) = ( -0.3000000 0.2814612 0.3701350), wk = 0.0025253 k( 377) = ( -0.3100000 0.2908432 0.3701350), wk = 0.0025253 k( 378) = ( -0.3200000 0.3002253 0.3701350), wk = 0.0025253 k( 379) = ( -0.3300000 0.3096073 0.3701350), wk = 0.0025253 k( 380) = ( -0.3400000 0.3189894 0.3701350), wk = 0.0025253 k( 381) = ( -0.3500000 0.3283714 0.3701350), wk = 0.0025253 k( 382) = ( -0.3600000 0.3377534 0.3701350), wk = 0.0025253 k( 383) = ( -0.3700000 0.3471355 0.3701350), wk = 0.0025253 k( 384) = ( -0.3800000 0.3565175 0.3701350), wk = 0.0025253 k( 385) = ( -0.3900000 0.3658996 0.3701350), wk = 0.0025253 k( 386) = ( -0.4000000 0.3752816 0.3701350), wk = 0.0025253 k( 387) = ( -0.4100000 0.3846636 0.3701350), wk = 0.0025253 k( 388) = ( -0.4200000 0.3940457 0.3701350), wk = 0.0025253 k( 389) = ( -0.4300000 0.4034277 0.3701350), wk = 0.0025253 k( 390) = ( -0.4400000 0.4128098 0.3701350), wk = 0.0025253 k( 391) = ( -0.4500000 0.4221918 0.3701350), wk = 0.0025253 k( 392) = ( -0.4600000 0.4315738 0.3701350), wk = 0.0025253 k( 393) = ( -0.4700000 0.4409559 0.3701350), wk = 0.0025253 k( 394) = ( -0.4800000 0.4503379 0.3701350), wk = 0.0025253 k( 395) = ( -0.4900000 0.4597200 0.3701350), wk = 0.0025253 k( 396) = ( -0.5000000 0.4691020 0.3701350), wk = 0.0025253 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 2) = ( 0.0094011 0.0094011 -0.0000000), wk = 0.0025253 k( 3) = ( 0.0188023 0.0188023 -0.0000000), wk = 0.0025253 k( 4) = ( 0.0282034 0.0282034 -0.0000000), wk = 0.0025253 k( 5) = ( 0.0376045 0.0376045 -0.0000000), wk = 0.0025253 k( 6) = ( 0.0470057 0.0470057 -0.0000000), wk = 0.0025253 k( 7) = ( 0.0564068 0.0564068 -0.0000000), wk = 0.0025253 k( 8) = ( 0.0658079 0.0658079 0.0000000), wk = 0.0025253 k( 9) = ( 0.0752091 0.0752091 -0.0000000), wk = 0.0025253 k( 10) = ( 0.0846102 0.0846102 0.0000000), wk = 0.0025253 k( 11) = ( 0.0940113 0.0940113 -0.0000000), wk = 0.0025253 k( 12) = ( 0.1034125 0.1034125 -0.0000000), wk = 0.0025253 k( 13) = ( 0.1128136 0.1128136 -0.0000000), wk = 0.0025253 k( 14) = ( 0.1222147 0.1222147 -0.0000000), wk = 0.0025253 k( 15) = ( 0.1316159 0.1316159 0.0000000), wk = 0.0025253 k( 16) = ( 0.1410170 0.1410170 0.0000000), wk = 0.0025253 k( 17) = ( 0.1504181 0.1504181 -0.0000000), wk = 0.0025253 k( 18) = ( 0.1598193 0.1598193 -0.0000000), wk = 0.0025253 k( 19) = ( 0.1692204 0.1692204 -0.0000000), wk = 0.0025253 k( 20) = ( 0.1786215 0.1786215 -0.0000000), wk = 0.0025253 k( 21) = ( 0.1880227 0.1880227 -0.0000000), wk = 0.0025253 k( 22) = ( 0.1974238 0.1974238 -0.0000000), wk = 0.0025253 k( 23) = ( 0.2068249 0.2068249 -0.0000000), wk = 0.0025253 k( 24) = ( 0.2162261 0.2162261 -0.0000000), wk = 0.0025253 k( 25) = ( 0.2256272 0.2256272 -0.0000000), wk = 0.0025253 k( 26) = ( 0.2350283 0.2350283 -0.0000000), wk = 0.0025253 k( 27) = ( 0.2444295 0.2444295 -0.0000000), wk = 0.0025253 k( 28) = ( 0.2538306 0.2538306 0.0000000), wk = 0.0025253 k( 29) = ( 0.2632317 0.2632317 -0.0000000), wk = 0.0025253 k( 30) = ( 0.2726329 0.2726329 0.0000000), wk = 0.0025253 k( 31) = ( 0.2820340 0.2820340 -0.0000000), wk = 0.0025253 k( 32) = ( 0.2914351 0.2914352 -0.0000000), wk = 0.0025253 k( 33) = ( 0.3008363 0.3008363 -0.0000000), wk = 0.0025253 k( 34) = ( 0.3102374 0.3102374 -0.0000000), wk = 0.0025253 k( 35) = ( 0.3196386 0.3196386 -0.0000000), wk = 0.0025253 k( 36) = ( 0.3290397 0.3290397 -0.0000000), wk = 0.0025253 k( 37) = ( 0.3384408 0.3384408 -0.0000000), wk = 0.0025253 k( 38) = ( 0.3478420 0.3478419 -0.0000000), wk = 0.0025253 k( 39) = ( 0.3572431 0.3572431 -0.0000000), wk = 0.0025253 k( 40) = ( 0.3666442 0.3666442 -0.0000000), wk = 0.0025253 k( 41) = ( 0.3760454 0.3760454 0.0000000), wk = 0.0025253 k( 42) = ( 0.3854465 0.3854465 -0.0000000), wk = 0.0025253 k( 43) = ( 0.3948476 0.3948476 -0.0000000), wk = 0.0025253 k( 44) = ( 0.4042487 0.4042487 -0.0000000), wk = 0.0025253 k( 45) = ( 0.4136499 0.4136499 -0.0000000), wk = 0.0025253 k( 46) = ( 0.4230510 0.4230510 -0.0000000), wk = 0.0025253 k( 47) = ( 0.4324521 0.4324521 0.0000000), wk = 0.0025253 k( 48) = ( 0.4418533 0.4418533 0.0000000), wk = 0.0025253 k( 49) = ( 0.4512544 0.4512544 -0.0000000), wk = 0.0025253 k( 50) = ( 0.4606556 0.4606555 -0.0000000), wk = 0.0025253 k( 51) = ( 0.4700567 0.4700567 -0.0000000), wk = 0.0025253 k( 52) = ( 0.4700567 0.4700567 -0.0000000), wk = 0.0025253 k( 53) = ( 0.4562315 0.4709374 0.0000000), wk = 0.0025253 k( 54) = ( 0.4424063 0.4718181 0.0000000), wk = 0.0025253 k( 55) = ( 0.4285811 0.4726988 -0.0000000), wk = 0.0025253 k( 56) = ( 0.4147559 0.4735794 -0.0000000), wk = 0.0025253 k( 57) = ( 0.4009307 0.4744601 0.0000000), wk = 0.0025253 k( 58) = ( 0.3871055 0.4753408 0.0000000), wk = 0.0025253 k( 59) = ( 0.3732803 0.4762215 0.0000000), wk = 0.0025253 k( 60) = ( 0.3594551 0.4771022 -0.0000000), wk = 0.0025253 k( 61) = ( 0.3456299 0.4779829 -0.0000000), wk = 0.0025253 k( 62) = ( 0.3318047 0.4788636 -0.0000000), wk = 0.0025253 k( 63) = ( 0.3179795 0.4797442 -0.0000000), wk = 0.0025253 k( 64) = ( 0.3041543 0.4806249 -0.0000000), wk = 0.0025253 k( 65) = ( 0.2903291 0.4815056 -0.0000000), wk = 0.0025253 k( 66) = ( 0.2765039 0.4823863 0.0000000), wk = 0.0025253 k( 67) = ( 0.2626787 0.4832670 -0.0000000), wk = 0.0025253 k( 68) = ( 0.2488535 0.4841477 0.0000000), wk = 0.0025253 k( 69) = ( 0.2350283 0.4850283 -0.0000000), wk = 0.0025253 k( 70) = ( 0.2212031 0.4859090 -0.0000000), wk = 0.0025253 k( 71) = ( 0.2073780 0.4867897 -0.0000000), wk = 0.0025253 k( 72) = ( 0.1935527 0.4876704 -0.0000000), wk = 0.0025253 k( 73) = ( 0.1797276 0.4885511 -0.0000000), wk = 0.0025253 k( 74) = ( 0.1659024 0.4894318 0.0000000), wk = 0.0025253 k( 75) = ( 0.1520772 0.4903125 -0.0000000), wk = 0.0025253 k( 76) = ( 0.1382520 0.4911931 -0.0000000), wk = 0.0025253 k( 77) = ( 0.1244268 0.4920738 -0.0000000), wk = 0.0025253 k( 78) = ( 0.1106016 0.4929545 -0.0000000), wk = 0.0025253 k( 79) = ( 0.0967764 0.4938352 -0.0000000), wk = 0.0025253 k( 80) = ( 0.0829512 0.4947159 -0.0000000), wk = 0.0025253 k( 81) = ( 0.0691260 0.4955966 -0.0000000), wk = 0.0025253 k( 82) = ( 0.0553008 0.4964773 0.0000000), wk = 0.0025253 k( 83) = ( 0.0414756 0.4973579 0.0000000), wk = 0.0025253 k( 84) = ( 0.0276504 0.4982386 0.0000000), wk = 0.0025253 k( 85) = ( 0.0138252 0.4991193 0.0000000), wk = 0.0025253 k( 86) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025253 k( 87) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025253 k( 88) = ( 0.0000000 0.5000000 0.0185185), wk = 0.0025253 k( 89) = ( 0.0000000 0.5000000 0.0370370), wk = 0.0025253 k( 90) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0025253 k( 91) = ( 0.0000000 0.5000000 0.0740741), wk = 0.0025253 k( 92) = ( 0.0000000 0.5000000 0.0925926), wk = 0.0025253 k( 93) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0025253 k( 94) = ( 0.0000000 0.5000000 0.1296296), wk = 0.0025253 k( 95) = ( 0.0000000 0.5000000 0.1481482), wk = 0.0025253 k( 96) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0025253 k( 97) = ( 0.0000000 0.5000000 0.1851852), wk = 0.0025253 k( 98) = ( 0.0000000 0.5000000 0.2037037), wk = 0.0025253 k( 99) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0025253 k( 100) = ( 0.0000000 0.5000000 0.2407407), wk = 0.0025253 k( 101) = ( 0.0000000 0.5000000 0.2592593), wk = 0.0025253 k( 102) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0025253 k( 103) = ( 0.0000000 0.5000000 0.2962963), wk = 0.0025253 k( 104) = ( 0.0000000 0.5000000 0.3148148), wk = 0.0025253 k( 105) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0025253 k( 106) = ( 0.0000000 0.5000000 0.3518519), wk = 0.0025253 k( 107) = ( 0.0000000 0.5000000 0.3703704), wk = 0.0025253 k( 108) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0025253 k( 109) = ( 0.0000000 0.5000000 0.4074074), wk = 0.0025253 k( 110) = ( 0.0000000 0.5000000 0.4259259), wk = 0.0025253 k( 111) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0025253 k( 112) = ( 0.0000000 0.5000000 0.4629630), wk = 0.0025253 k( 113) = ( 0.0000000 0.5000000 0.4814815), wk = 0.0025253 k( 114) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025253 k( 115) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025253 k( 116) = ( 0.0138252 0.4991193 0.5000000), wk = 0.0025253 k( 117) = ( 0.0276504 0.4982386 0.5000000), wk = 0.0025253 k( 118) = ( 0.0414756 0.4973579 0.5000000), wk = 0.0025253 k( 119) = ( 0.0553008 0.4964773 0.5000000), wk = 0.0025253 k( 120) = ( 0.0691260 0.4955966 0.5000000), wk = 0.0025253 k( 121) = ( 0.0829512 0.4947159 0.5000000), wk = 0.0025253 k( 122) = ( 0.0967764 0.4938352 0.5000000), wk = 0.0025253 k( 123) = ( 0.1106016 0.4929545 0.5000000), wk = 0.0025253 k( 124) = ( 0.1244268 0.4920738 0.5000000), wk = 0.0025253 k( 125) = ( 0.1382520 0.4911931 0.5000000), wk = 0.0025253 k( 126) = ( 0.1520772 0.4903125 0.5000000), wk = 0.0025253 k( 127) = ( 0.1659024 0.4894318 0.5000000), wk = 0.0025253 k( 128) = ( 0.1797276 0.4885511 0.5000000), wk = 0.0025253 k( 129) = ( 0.1935527 0.4876704 0.5000000), wk = 0.0025253 k( 130) = ( 0.2073780 0.4867897 0.5000000), wk = 0.0025253 k( 131) = ( 0.2212031 0.4859090 0.5000000), wk = 0.0025253 k( 132) = ( 0.2350283 0.4850283 0.5000000), wk = 0.0025253 k( 133) = ( 0.2488535 0.4841477 0.5000000), wk = 0.0025253 k( 134) = ( 0.2626787 0.4832670 0.5000000), wk = 0.0025253 k( 135) = ( 0.2765039 0.4823863 0.5000000), wk = 0.0025253 k( 136) = ( 0.2903291 0.4815056 0.5000000), wk = 0.0025253 k( 137) = ( 0.3041543 0.4806249 0.5000000), wk = 0.0025253 k( 138) = ( 0.3179795 0.4797442 0.5000000), wk = 0.0025253 k( 139) = ( 0.3318047 0.4788636 0.5000000), wk = 0.0025253 k( 140) = ( 0.3456299 0.4779829 0.5000000), wk = 0.0025253 k( 141) = ( 0.3594551 0.4771022 0.5000000), wk = 0.0025253 k( 142) = ( 0.3732803 0.4762215 0.5000000), wk = 0.0025253 k( 143) = ( 0.3871055 0.4753408 0.5000000), wk = 0.0025253 k( 144) = ( 0.4009307 0.4744601 0.5000000), wk = 0.0025253 k( 145) = ( 0.4147559 0.4735794 0.5000000), wk = 0.0025253 k( 146) = ( 0.4285811 0.4726988 0.5000000), wk = 0.0025253 k( 147) = ( 0.4424063 0.4718181 0.5000000), wk = 0.0025253 k( 148) = ( 0.4562315 0.4709374 0.5000000), wk = 0.0025253 k( 149) = ( 0.4700567 0.4700567 0.5000000), wk = 0.0025253 k( 150) = ( 0.4700567 0.4700567 0.5000000), wk = 0.0025253 k( 151) = ( 0.4606556 0.4606555 0.5000000), wk = 0.0025253 k( 152) = ( 0.4512544 0.4512544 0.5000000), wk = 0.0025253 k( 153) = ( 0.4418533 0.4418533 0.5000000), wk = 0.0025253 k( 154) = ( 0.4324521 0.4324521 0.5000000), wk = 0.0025253 k( 155) = ( 0.4230510 0.4230510 0.5000000), wk = 0.0025253 k( 156) = ( 0.4136499 0.4136499 0.5000000), wk = 0.0025253 k( 157) = ( 0.4042487 0.4042487 0.5000000), wk = 0.0025253 k( 158) = ( 0.3948476 0.3948476 0.5000000), wk = 0.0025253 k( 159) = ( 0.3854465 0.3854465 0.5000000), wk = 0.0025253 k( 160) = ( 0.3760454 0.3760454 0.5000000), wk = 0.0025253 k( 161) = ( 0.3666442 0.3666442 0.5000000), wk = 0.0025253 k( 162) = ( 0.3572431 0.3572431 0.5000000), wk = 0.0025253 k( 163) = ( 0.3478420 0.3478419 0.5000000), wk = 0.0025253 k( 164) = ( 0.3384408 0.3384408 0.5000000), wk = 0.0025253 k( 165) = ( 0.3290397 0.3290397 0.5000000), wk = 0.0025253 k( 166) = ( 0.3196386 0.3196386 0.5000000), wk = 0.0025253 k( 167) = ( 0.3102374 0.3102374 0.5000000), wk = 0.0025253 k( 168) = ( 0.3008363 0.3008363 0.5000000), wk = 0.0025253 k( 169) = ( 0.2914351 0.2914352 0.5000000), wk = 0.0025253 k( 170) = ( 0.2820340 0.2820340 0.5000000), wk = 0.0025253 k( 171) = ( 0.2726329 0.2726329 0.5000000), wk = 0.0025253 k( 172) = ( 0.2632317 0.2632317 0.5000000), wk = 0.0025253 k( 173) = ( 0.2538306 0.2538306 0.5000000), wk = 0.0025253 k( 174) = ( 0.2444295 0.2444295 0.5000000), wk = 0.0025253 k( 175) = ( 0.2350283 0.2350283 0.5000000), wk = 0.0025253 k( 176) = ( 0.2256272 0.2256272 0.5000000), wk = 0.0025253 k( 177) = ( 0.2162261 0.2162261 0.5000000), wk = 0.0025253 k( 178) = ( 0.2068249 0.2068249 0.5000000), wk = 0.0025253 k( 179) = ( 0.1974238 0.1974238 0.5000000), wk = 0.0025253 k( 180) = ( 0.1880227 0.1880227 0.5000000), wk = 0.0025253 k( 181) = ( 0.1786215 0.1786215 0.5000000), wk = 0.0025253 k( 182) = ( 0.1692204 0.1692204 0.5000000), wk = 0.0025253 k( 183) = ( 0.1598193 0.1598193 0.5000000), wk = 0.0025253 k( 184) = ( 0.1504181 0.1504181 0.5000000), wk = 0.0025253 k( 185) = ( 0.1410170 0.1410170 0.5000000), wk = 0.0025253 k( 186) = ( 0.1316159 0.1316159 0.5000000), wk = 0.0025253 k( 187) = ( 0.1222147 0.1222147 0.5000000), wk = 0.0025253 k( 188) = ( 0.1128136 0.1128136 0.5000000), wk = 0.0025253 k( 189) = ( 0.1034125 0.1034125 0.5000000), wk = 0.0025253 k( 190) = ( 0.0940113 0.0940113 0.5000000), wk = 0.0025253 k( 191) = ( 0.0846102 0.0846102 0.5000000), wk = 0.0025253 k( 192) = ( 0.0752091 0.0752091 0.5000000), wk = 0.0025253 k( 193) = ( 0.0658079 0.0658079 0.5000000), wk = 0.0025253 k( 194) = ( 0.0564068 0.0564068 0.5000000), wk = 0.0025253 k( 195) = ( 0.0470057 0.0470057 0.5000000), wk = 0.0025253 k( 196) = ( 0.0376045 0.0376045 0.5000000), wk = 0.0025253 k( 197) = ( 0.0282034 0.0282034 0.5000000), wk = 0.0025253 k( 198) = ( 0.0188023 0.0188023 0.5000000), wk = 0.0025253 k( 199) = ( 0.0094011 0.0094011 0.5000000), wk = 0.0025253 k( 200) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025253 k( 201) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025253 k( 202) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0025253 k( 203) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0025253 k( 204) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0025253 k( 205) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0025253 k( 206) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0025253 k( 207) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0025253 k( 208) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0025253 k( 209) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0025253 k( 210) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025253 k( 211) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0025253 k( 212) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0025253 k( 213) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0025253 k( 214) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0025253 k( 215) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0025253 k( 216) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0025253 k( 217) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0025253 k( 218) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0025253 k( 219) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025253 k( 220) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0025253 k( 221) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0025253 k( 222) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0025253 k( 223) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0025253 k( 224) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0025253 k( 225) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0025253 k( 226) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0025253 k( 227) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0025253 k( 228) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 229) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025253 k( 230) = ( -0.0100000 0.0100000 -0.0000000), wk = 0.0025253 k( 231) = ( -0.0200000 0.0200000 -0.0000000), wk = 0.0025253 k( 232) = ( -0.0300000 0.0300000 0.0000000), wk = 0.0025253 k( 233) = ( -0.0400000 0.0400000 -0.0000000), wk = 0.0025253 k( 234) = ( -0.0500000 0.0500000 -0.0000000), wk = 0.0025253 k( 235) = ( -0.0600000 0.0600000 0.0000000), wk = 0.0025253 k( 236) = ( -0.0700000 0.0700000 -0.0000000), wk = 0.0025253 k( 237) = ( -0.0800000 0.0800000 -0.0000000), wk = 0.0025253 k( 238) = ( -0.0900000 0.0900000 -0.0000000), wk = 0.0025253 k( 239) = ( -0.1000000 0.1000000 -0.0000000), wk = 0.0025253 k( 240) = ( -0.1100000 0.1100000 0.0000000), wk = 0.0025253 k( 241) = ( -0.1200000 0.1200000 0.0000000), wk = 0.0025253 k( 242) = ( -0.1300000 0.1300000 0.0000000), wk = 0.0025253 k( 243) = ( -0.1400000 0.1400000 -0.0000000), wk = 0.0025253 k( 244) = ( -0.1500000 0.1500000 0.0000000), wk = 0.0025253 k( 245) = ( -0.1600000 0.1600000 -0.0000000), wk = 0.0025253 k( 246) = ( -0.1700000 0.1700000 -0.0000000), wk = 0.0025253 k( 247) = ( -0.1800000 0.1800000 -0.0000000), wk = 0.0025253 k( 248) = ( -0.1900000 0.1900000 -0.0000000), wk = 0.0025253 k( 249) = ( -0.2000000 0.2000000 -0.0000000), wk = 0.0025253 k( 250) = ( -0.2100000 0.2100000 0.0000000), wk = 0.0025253 k( 251) = ( -0.2200000 0.2200000 0.0000000), wk = 0.0025253 k( 252) = ( -0.2300000 0.2300000 0.0000000), wk = 0.0025253 k( 253) = ( -0.2400000 0.2400000 0.0000000), wk = 0.0025253 k( 254) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0025253 k( 255) = ( -0.2600000 0.2600000 0.0000000), wk = 0.0025253 k( 256) = ( -0.2700000 0.2700000 -0.0000000), wk = 0.0025253 k( 257) = ( -0.2800000 0.2800000 -0.0000000), wk = 0.0025253 k( 258) = ( -0.2900000 0.2900000 0.0000000), wk = 0.0025253 k( 259) = ( -0.3000000 0.3000000 0.0000000), wk = 0.0025253 k( 260) = ( -0.3100000 0.3100000 0.0000000), wk = 0.0025253 k( 261) = ( -0.3200000 0.3200000 -0.0000000), wk = 0.0025253 k( 262) = ( -0.3300000 0.3300000 0.0000000), wk = 0.0025253 k( 263) = ( -0.3400000 0.3400000 -0.0000000), wk = 0.0025253 k( 264) = ( -0.3500000 0.3500000 0.0000000), wk = 0.0025253 k( 265) = ( -0.3600000 0.3600000 -0.0000000), wk = 0.0025253 k( 266) = ( -0.3700000 0.3700000 0.0000000), wk = 0.0025253 k( 267) = ( -0.3800000 0.3800000 -0.0000000), wk = 0.0025253 k( 268) = ( -0.3900000 0.3900000 -0.0000000), wk = 0.0025253 k( 269) = ( -0.4000000 0.4000000 -0.0000000), wk = 0.0025253 k( 270) = ( -0.4100000 0.4100000 0.0000000), wk = 0.0025253 k( 271) = ( -0.4200000 0.4200000 0.0000000), wk = 0.0025253 k( 272) = ( -0.4300000 0.4300000 0.0000000), wk = 0.0025253 k( 273) = ( -0.4400000 0.4400000 0.0000000), wk = 0.0025253 k( 274) = ( -0.4500000 0.4500000 -0.0000000), wk = 0.0025253 k( 275) = ( -0.4600000 0.4600000 0.0000000), wk = 0.0025253 k( 276) = ( -0.4700000 0.4700000 0.0000000), wk = 0.0025253 k( 277) = ( -0.4800000 0.4800000 0.0000000), wk = 0.0025253 k( 278) = ( -0.4900000 0.4900000 -0.0000000), wk = 0.0025253 k( 279) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025253 k( 280) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025253 k( 281) = ( -0.4925142 0.5074858 0.0000000), wk = 0.0025253 k( 282) = ( -0.4850283 0.5149717 0.0000000), wk = 0.0025253 k( 283) = ( -0.4775425 0.5224575 -0.0000000), wk = 0.0025253 k( 284) = ( -0.4700567 0.5299433 -0.0000000), wk = 0.0025253 k( 285) = ( -0.4700567 0.5299433 -0.0000000), wk = 0.0025253 k( 286) = ( -0.4700567 0.5299433 0.0185185), wk = 0.0025253 k( 287) = ( -0.4700567 0.5299433 0.0370370), wk = 0.0025253 k( 288) = ( -0.4700567 0.5299433 0.0555556), wk = 0.0025253 k( 289) = ( -0.4700567 0.5299433 0.0740741), wk = 0.0025253 k( 290) = ( -0.4700567 0.5299433 0.0925926), wk = 0.0025253 k( 291) = ( -0.4700567 0.5299433 0.1111111), wk = 0.0025253 k( 292) = ( -0.4700567 0.5299433 0.1296296), wk = 0.0025253 k( 293) = ( -0.4700567 0.5299433 0.1481482), wk = 0.0025253 k( 294) = ( -0.4700567 0.5299433 0.1666667), wk = 0.0025253 k( 295) = ( -0.4700567 0.5299433 0.1851852), wk = 0.0025253 k( 296) = ( -0.4700567 0.5299433 0.2037037), wk = 0.0025253 k( 297) = ( -0.4700567 0.5299433 0.2222222), wk = 0.0025253 k( 298) = ( -0.4700567 0.5299433 0.2407407), wk = 0.0025253 k( 299) = ( -0.4700567 0.5299433 0.2592593), wk = 0.0025253 k( 300) = ( -0.4700567 0.5299433 0.2777778), wk = 0.0025253 k( 301) = ( -0.4700567 0.5299433 0.2962963), wk = 0.0025253 k( 302) = ( -0.4700567 0.5299433 0.3148148), wk = 0.0025253 k( 303) = ( -0.4700567 0.5299433 0.3333333), wk = 0.0025253 k( 304) = ( -0.4700567 0.5299433 0.3518519), wk = 0.0025253 k( 305) = ( -0.4700567 0.5299433 0.3703704), wk = 0.0025253 k( 306) = ( -0.4700567 0.5299433 0.3888889), wk = 0.0025253 k( 307) = ( -0.4700567 0.5299433 0.4074074), wk = 0.0025253 k( 308) = ( -0.4700567 0.5299433 0.4259259), wk = 0.0025253 k( 309) = ( -0.4700567 0.5299433 0.4444444), wk = 0.0025253 k( 310) = ( -0.4700567 0.5299433 0.4629630), wk = 0.0025253 k( 311) = ( -0.4700567 0.5299433 0.4814815), wk = 0.0025253 k( 312) = ( -0.4700567 0.5299433 0.5000000), wk = 0.0025253 k( 313) = ( -0.4700567 0.5299433 0.5000000), wk = 0.0025253 k( 314) = ( -0.4775425 0.5224575 0.5000000), wk = 0.0025253 k( 315) = ( -0.4850283 0.5149717 0.5000000), wk = 0.0025253 k( 316) = ( -0.4925142 0.5074858 0.5000000), wk = 0.0025253 k( 317) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025253 k( 318) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025253 k( 319) = ( -0.5000000 0.5000000 0.4814815), wk = 0.0025253 k( 320) = ( -0.5000000 0.5000000 0.4629630), wk = 0.0025253 k( 321) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0025253 k( 322) = ( -0.5000000 0.5000000 0.4259259), wk = 0.0025253 k( 323) = ( -0.5000000 0.5000000 0.4074074), wk = 0.0025253 k( 324) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0025253 k( 325) = ( -0.5000000 0.5000000 0.3703704), wk = 0.0025253 k( 326) = ( -0.5000000 0.5000000 0.3518519), wk = 0.0025253 k( 327) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0025253 k( 328) = ( -0.5000000 0.5000000 0.3148148), wk = 0.0025253 k( 329) = ( -0.5000000 0.5000000 0.2962963), wk = 0.0025253 k( 330) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0025253 k( 331) = ( -0.5000000 0.5000000 0.2592593), wk = 0.0025253 k( 332) = ( -0.5000000 0.5000000 0.2407407), wk = 0.0025253 k( 333) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0025253 k( 334) = ( -0.5000000 0.5000000 0.2037037), wk = 0.0025253 k( 335) = ( -0.5000000 0.5000000 0.1851852), wk = 0.0025253 k( 336) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0025253 k( 337) = ( -0.5000000 0.5000000 0.1481482), wk = 0.0025253 k( 338) = ( -0.5000000 0.5000000 0.1296296), wk = 0.0025253 k( 339) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0025253 k( 340) = ( -0.5000000 0.5000000 0.0925926), wk = 0.0025253 k( 341) = ( -0.5000000 0.5000000 0.0740741), wk = 0.0025253 k( 342) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0025253 k( 343) = ( -0.5000000 0.5000000 0.0370370), wk = 0.0025253 k( 344) = ( -0.5000000 0.5000000 0.0185185), wk = 0.0025253 k( 345) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025253 k( 346) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025253 k( 347) = ( -0.0100000 0.0100000 0.5000000), wk = 0.0025253 k( 348) = ( -0.0200000 0.0200000 0.5000000), wk = 0.0025253 k( 349) = ( -0.0300000 0.0300000 0.5000000), wk = 0.0025253 k( 350) = ( -0.0400000 0.0400000 0.5000000), wk = 0.0025253 k( 351) = ( -0.0500000 0.0500000 0.5000000), wk = 0.0025253 k( 352) = ( -0.0600000 0.0600000 0.5000000), wk = 0.0025253 k( 353) = ( -0.0700000 0.0700000 0.5000000), wk = 0.0025253 k( 354) = ( -0.0800000 0.0800000 0.5000000), wk = 0.0025253 k( 355) = ( -0.0900000 0.0900000 0.5000000), wk = 0.0025253 k( 356) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0025253 k( 357) = ( -0.1100000 0.1100000 0.5000000), wk = 0.0025253 k( 358) = ( -0.1200000 0.1200000 0.5000000), wk = 0.0025253 k( 359) = ( -0.1300000 0.1300000 0.5000000), wk = 0.0025253 k( 360) = ( -0.1400000 0.1400000 0.5000000), wk = 0.0025253 k( 361) = ( -0.1500000 0.1500000 0.5000000), wk = 0.0025253 k( 362) = ( -0.1600000 0.1600000 0.5000000), wk = 0.0025253 k( 363) = ( -0.1700000 0.1700000 0.5000000), wk = 0.0025253 k( 364) = ( -0.1800000 0.1800000 0.5000000), wk = 0.0025253 k( 365) = ( -0.1900000 0.1900000 0.5000000), wk = 0.0025253 k( 366) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0025253 k( 367) = ( -0.2100000 0.2100000 0.5000000), wk = 0.0025253 k( 368) = ( -0.2200000 0.2200000 0.5000000), wk = 0.0025253 k( 369) = ( -0.2300000 0.2300000 0.5000000), wk = 0.0025253 k( 370) = ( -0.2400000 0.2400000 0.5000000), wk = 0.0025253 k( 371) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0025253 k( 372) = ( -0.2600000 0.2600000 0.5000000), wk = 0.0025253 k( 373) = ( -0.2700000 0.2700000 0.5000000), wk = 0.0025253 k( 374) = ( -0.2800000 0.2800000 0.5000000), wk = 0.0025253 k( 375) = ( -0.2900000 0.2900000 0.5000000), wk = 0.0025253 k( 376) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0025253 k( 377) = ( -0.3100000 0.3100000 0.5000000), wk = 0.0025253 k( 378) = ( -0.3200000 0.3200000 0.5000000), wk = 0.0025253 k( 379) = ( -0.3300000 0.3300000 0.5000000), wk = 0.0025253 k( 380) = ( -0.3400000 0.3400000 0.5000000), wk = 0.0025253 k( 381) = ( -0.3500000 0.3500000 0.5000000), wk = 0.0025253 k( 382) = ( -0.3600000 0.3600000 0.5000000), wk = 0.0025253 k( 383) = ( -0.3700000 0.3700000 0.5000000), wk = 0.0025253 k( 384) = ( -0.3800000 0.3800000 0.5000000), wk = 0.0025253 k( 385) = ( -0.3900000 0.3900000 0.5000000), wk = 0.0025253 k( 386) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0025253 k( 387) = ( -0.4100000 0.4100000 0.5000000), wk = 0.0025253 k( 388) = ( -0.4200000 0.4200000 0.5000000), wk = 0.0025253 k( 389) = ( -0.4300000 0.4300000 0.5000000), wk = 0.0025253 k( 390) = ( -0.4400000 0.4400000 0.5000000), wk = 0.0025253 k( 391) = ( -0.4500000 0.4500000 0.5000000), wk = 0.0025253 k( 392) = ( -0.4600000 0.4600000 0.5000000), wk = 0.0025253 k( 393) = ( -0.4700000 0.4700000 0.5000000), wk = 0.0025253 k( 394) = ( -0.4800000 0.4800000 0.5000000), wk = 0.0025253 k( 395) = ( -0.4900000 0.4900000 0.5000000), wk = 0.0025253 k( 396) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025253 Dense grid: 75743 G-vectors FFT dimensions: ( 48, 48, 72) Smooth grid: 32227 G-vectors FFT dimensions: ( 36, 36, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 238, 36) NL pseudopotentials 0.15 Mb ( 119, 80) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.02 Mb ( 2105) G-vector shells 0.01 Mb ( 1077) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 238, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.09 Mb ( 80, 2, 36) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./BH6N.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.0 secs Computing kpt #: 3 total cpu time spent up to now is 2.3 secs Computing kpt #: 4 total cpu time spent up to now is 2.7 secs Computing kpt #: 5 total cpu time spent up to now is 3.1 secs Computing kpt #: 6 total cpu time spent up to now is 3.5 secs Computing kpt #: 7 total cpu time spent up to now is 3.9 secs Computing kpt #: 8 total cpu time spent up to now is 4.3 secs Computing kpt #: 9 total cpu time spent up to now is 4.7 secs Computing kpt #: 10 total cpu time spent up to now is 5.1 secs Computing kpt #: 11 total cpu time spent up to now is 5.5 secs Computing kpt #: 12 total cpu time spent up to now is 5.9 secs Computing kpt #: 13 total cpu time spent up to now is 6.3 secs Computing kpt #: 14 total cpu time spent up to now is 6.7 secs Computing kpt #: 15 total cpu time spent up to now is 7.1 secs Computing kpt #: 16 total cpu time spent up to now is 7.5 secs Computing kpt #: 17 total cpu time spent up to now is 7.9 secs Computing kpt #: 18 total cpu time spent up to now is 8.3 secs Computing kpt #: 19 total cpu time spent up to now is 8.7 secs Computing kpt #: 20 total cpu time spent up to now is 9.1 secs Computing kpt #: 21 total cpu time spent up to now is 9.5 secs Computing kpt #: 22 total cpu time spent up to now is 9.9 secs Computing kpt #: 23 total cpu time spent up to now is 10.3 secs Computing kpt #: 24 total cpu time spent up to now is 10.7 secs Computing kpt #: 25 total cpu time spent up to now is 11.2 secs Computing kpt #: 26 total cpu time spent up to now is 11.5 secs Computing kpt #: 27 total cpu time spent up to now is 11.9 secs Computing kpt #: 28 total cpu time spent up to now is 12.2 secs Computing kpt #: 29 total cpu time spent up to now is 12.5 secs Computing kpt #: 30 total cpu time spent up to now is 12.9 secs Computing kpt #: 31 total cpu time spent up to now is 13.2 secs Computing 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is 18.5 secs Computing kpt #: 48 total cpu time spent up to now is 18.9 secs Computing kpt #: 49 total cpu time spent up to now is 19.2 secs Computing kpt #: 50 total cpu time spent up to now is 19.6 secs Computing kpt #: 51 total cpu time spent up to now is 19.9 secs Computing kpt #: 52 total cpu time spent up to now is 20.2 secs Computing kpt #: 53 total cpu time spent up to now is 20.6 secs Computing kpt #: 54 total cpu time spent up to now is 20.9 secs Computing kpt #: 55 total cpu time spent up to now is 21.3 secs Computing kpt #: 56 total cpu time spent up to now is 21.6 secs Computing kpt #: 57 total cpu time spent up to now is 22.0 secs Computing kpt #: 58 total cpu time spent up to now is 22.3 secs Computing kpt #: 59 total cpu time spent up to now is 22.7 secs Computing kpt #: 60 total cpu time spent up to now is 23.0 secs Computing kpt #: 61 total cpu time spent up to now is 23.3 secs Computing kpt #: 62 total cpu time spent up to now is 23.7 secs Computing kpt #: 63 total cpu time spent up to now is 24.0 secs Computing kpt #: 64 total cpu time spent up to now is 24.4 secs Computing kpt #: 65 total cpu time spent up to now is 24.7 secs Computing kpt #: 66 total cpu time spent up to now is 25.1 secs Computing kpt #: 67 total cpu time spent up to now is 25.5 secs Computing kpt #: 68 total cpu time spent up to now is 25.9 secs Computing kpt #: 69 total cpu time spent up to now is 26.3 secs Computing kpt #: 70 total cpu time spent up to now is 26.7 secs Computing kpt #: 71 total cpu time spent up to now is 27.0 secs Computing kpt #: 72 total cpu time spent up to now is 27.4 secs Computing kpt #: 73 total cpu time spent up to now is 27.8 secs Computing kpt #: 74 total cpu time spent up to now is 28.1 secs Computing kpt #: 75 total cpu time spent up to now is 28.5 secs Computing kpt #: 76 total cpu time spent up to now is 28.9 secs Computing kpt #: 77 total cpu time spent up to now is 29.3 secs Computing kpt #: 78 total cpu time spent up to now is 29.7 secs Computing kpt #: 79 total cpu time spent up to now is 30.1 secs Computing kpt #: 80 total cpu time spent up to now is 30.6 secs Computing kpt #: 81 total cpu time spent up to now is 31.0 secs Computing kpt #: 82 total cpu time spent up to now is 31.4 secs Computing kpt #: 83 total cpu time spent up to now is 31.8 secs Computing kpt #: 84 total cpu time spent up to now is 32.2 secs Computing kpt #: 85 total cpu time spent up to now is 32.6 secs Computing kpt #: 86 total cpu time spent up to now is 33.0 secs Computing kpt #: 87 total cpu time spent up to now is 33.4 secs Computing kpt #: 88 total cpu time spent up to now is 33.8 secs Computing kpt #: 89 total cpu time spent up to now is 34.2 secs Computing kpt #: 90 total cpu time spent up to now is 34.6 secs Computing kpt #: 91 total cpu time spent up to now is 35.0 secs Computing kpt #: 92 total cpu time spent up to now is 35.4 secs Computing kpt #: 93 total cpu time spent up to now is 35.8 secs Computing kpt #: 94 total cpu time spent 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Computing kpt #: 110 total cpu time spent up to now is 42.7 secs Computing kpt #: 111 total cpu time spent up to now is 43.1 secs Computing kpt #: 112 total cpu time spent up to now is 43.5 secs Computing kpt #: 113 total cpu time spent up to now is 43.9 secs Computing kpt #: 114 total cpu time spent up to now is 44.3 secs Computing kpt #: 115 total cpu time spent up to now is 44.7 secs Computing kpt #: 116 total cpu time spent up to now is 45.1 secs Computing kpt #: 117 total cpu time spent up to now is 45.5 secs Computing kpt #: 118 total cpu time spent up to now is 45.9 secs Computing kpt #: 119 total cpu time spent up to now is 46.3 secs Computing kpt #: 120 total cpu time spent up to now is 46.6 secs Computing kpt #: 121 total cpu time spent up to now is 47.0 secs Computing kpt #: 122 total cpu time spent up to now is 47.3 secs Computing kpt #: 123 total cpu time spent up to now is 47.7 secs Computing kpt #: 124 total cpu time spent up to now is 48.1 secs Computing kpt #: 125 total cpu time spent up to now is 48.4 secs Computing kpt #: 126 total cpu time spent up to now is 48.8 secs Computing kpt #: 127 total cpu time spent up to now is 49.1 secs Computing kpt #: 128 total cpu time spent up to now is 49.5 secs Computing kpt #: 129 total cpu time spent up to now is 49.8 secs Computing kpt #: 130 total cpu time spent up to now is 50.2 secs Computing kpt #: 131 total cpu time spent up to now is 50.5 secs Computing kpt #: 132 total cpu time spent up to now is 50.9 secs Computing kpt #: 133 total cpu time spent up to now is 51.2 secs Computing kpt #: 134 total cpu time spent up to now is 51.5 secs Computing kpt #: 135 total cpu time spent up to now is 51.9 secs Computing kpt #: 136 total cpu time spent up to now is 52.3 secs Computing kpt #: 137 total cpu time spent up to now is 52.6 secs Computing kpt #: 138 total cpu time spent up to now is 53.0 secs Computing kpt #: 139 total cpu time spent up to now is 53.3 secs Computing kpt #: 140 total cpu time spent up 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Computing kpt #: 202 total cpu time spent up to now is 75.2 secs Computing kpt #: 203 total cpu time spent up to now is 75.5 secs Computing kpt #: 204 total cpu time spent up to now is 75.9 secs Computing kpt #: 205 total cpu time spent up to now is 76.2 secs Computing kpt #: 206 total cpu time spent up to now is 76.5 secs Computing kpt #: 207 total cpu time spent up to now is 76.9 secs Computing kpt #: 208 total cpu time spent up to now is 77.3 secs Computing kpt #: 209 total cpu time spent up to now is 77.6 secs Computing kpt #: 210 total cpu time spent up to now is 78.0 secs Computing kpt #: 211 total cpu time spent up to now is 78.4 secs Computing kpt #: 212 total cpu time spent up to now is 78.8 secs Computing kpt #: 213 total cpu time spent up to now is 79.1 secs Computing kpt #: 214 total cpu time spent up to now is 79.5 secs Computing kpt #: 215 total cpu time spent up to now is 79.9 secs Computing kpt #: 216 total cpu time spent up to now is 80.3 secs Computing kpt #: 217 total cpu time spent up to now is 80.7 secs Computing kpt #: 218 total cpu time spent up to now is 81.1 secs Computing kpt #: 219 total cpu time spent up to now is 81.5 secs Computing kpt #: 220 total cpu time spent up to now is 81.9 secs Computing kpt #: 221 total cpu time spent up to now is 82.3 secs Computing kpt #: 222 total cpu time spent up to now is 82.7 secs Computing kpt #: 223 total cpu time spent up to now is 83.1 secs Computing kpt #: 224 total cpu time spent up to now is 83.5 secs Computing kpt #: 225 total cpu time spent up to now is 83.8 secs Computing kpt #: 226 total cpu time spent up to now is 84.2 secs Computing kpt #: 227 total cpu time spent up to now is 84.6 secs Computing kpt #: 228 total cpu time spent up to now is 85.0 secs Computing kpt #: 229 total cpu time spent up to now is 85.4 secs Computing kpt #: 230 total cpu time spent up to now is 85.8 secs Computing kpt #: 231 total cpu time spent up to now is 86.2 secs Computing kpt #: 232 total cpu time spent up to now is 86.6 secs Computing kpt #: 233 total cpu time spent up to now is 87.0 secs Computing kpt #: 234 total cpu time spent up to now is 87.4 secs Computing kpt #: 235 total cpu time spent up to now is 87.8 secs Computing kpt #: 236 total cpu time spent up to now is 88.2 secs Computing kpt #: 237 total cpu time spent up to now is 88.6 secs Computing kpt #: 238 total cpu time spent up to now is 89.0 secs Computing kpt #: 239 total cpu time spent up to now is 89.4 secs Computing kpt #: 240 total cpu time spent up to now is 89.8 secs Computing kpt #: 241 total cpu time spent up to now is 90.2 secs Computing kpt #: 242 total cpu time spent up to now is 90.5 secs Computing kpt #: 243 total cpu time spent up to now is 90.9 secs Computing kpt #: 244 total cpu time spent up to now is 91.3 secs Computing kpt #: 245 total cpu time spent up to now is 91.6 secs Computing kpt #: 246 total cpu time spent up to now is 92.0 secs Computing kpt #: 247 total cpu time spent up to now is 92.4 secs Computing kpt #: 248 total cpu time spent up to now is 92.7 secs Computing kpt #: 249 total cpu time spent up to now is 93.1 secs Computing kpt #: 250 total cpu time spent up to now is 93.5 secs Computing kpt #: 251 total cpu time spent up to now is 93.8 secs Computing kpt #: 252 total cpu time spent up to now is 94.2 secs Computing kpt #: 253 total cpu time spent up to now is 94.5 secs Computing kpt #: 254 total cpu time spent up to now is 94.9 secs Computing kpt #: 255 total cpu time spent up to now is 95.2 secs Computing kpt #: 256 total cpu time spent up to now is 95.5 secs Computing kpt #: 257 total cpu time spent up to now is 95.9 secs Computing kpt #: 258 total cpu time spent up to now is 96.2 secs Computing kpt #: 259 total cpu time spent up to now is 96.6 secs Computing kpt #: 260 total cpu time spent up to now is 96.9 secs Computing kpt #: 261 total cpu time spent up to now is 97.3 secs Computing kpt #: 262 total cpu time spent up to now is 97.6 secs Computing kpt #: 263 total cpu time spent up to now is 97.9 secs Computing kpt #: 264 total cpu time spent up to now is 98.2 secs Computing kpt #: 265 total cpu time spent up to now is 98.5 secs Computing kpt #: 266 total cpu time spent up to now is 98.9 secs Computing kpt #: 267 total cpu time spent up to now is 99.2 secs Computing kpt #: 268 total cpu time spent up to now is 99.5 secs Computing kpt #: 269 total cpu time spent up to now is 99.8 secs Computing kpt #: 270 total cpu time spent up to now is 100.2 secs Computing kpt #: 271 total cpu time spent up to now is 100.5 secs Computing kpt #: 272 total cpu time spent up to now is 100.9 secs Computing kpt #: 273 total cpu time spent up to now is 101.2 secs Computing kpt #: 274 total cpu time spent up to now is 101.5 secs Computing kpt #: 275 total cpu time spent up to now is 101.8 secs Computing kpt #: 276 total cpu time spent up to now is 102.2 secs Computing kpt #: 277 total cpu time spent up to now is 102.5 secs Computing kpt #: 278 total cpu time spent up to now is 102.8 secs Computing kpt #: 279 total cpu time spent up to now is 103.2 secs Computing kpt #: 280 total cpu time spent up to now is 103.6 secs Computing kpt #: 281 total cpu time spent up to now is 103.9 secs Computing kpt #: 282 total cpu time spent up to now is 104.3 secs Computing kpt #: 283 total cpu time spent up to now is 104.7 secs Computing kpt #: 284 total cpu time spent up to now is 105.0 secs Computing kpt #: 285 total cpu time spent up to now is 105.3 secs Computing kpt #: 286 total cpu time spent up to now is 105.7 secs Computing kpt #: 287 total cpu time spent up to now is 106.0 secs Computing kpt #: 288 total cpu time spent up to now is 106.3 secs Computing kpt #: 289 total cpu time spent up to now is 106.7 secs Computing kpt #: 290 total cpu time spent up to now is 107.0 secs Computing kpt #: 291 total cpu time spent up to now is 107.3 secs Computing kpt #: 292 total cpu time spent up to now is 107.9 secs Computing kpt #: 293 total cpu time spent up to now is 108.3 secs Computing kpt #: 294 total cpu time spent up to now is 108.6 secs Computing kpt #: 295 total cpu time spent up to now is 108.9 secs Computing kpt #: 296 total cpu time spent up to now is 109.3 secs Computing kpt #: 297 total cpu time spent up to now is 109.7 secs Computing kpt #: 298 total cpu time spent up to now is 110.0 secs Computing kpt #: 299 total cpu time spent up to now is 110.4 secs Computing kpt #: 300 total cpu time spent up to now is 110.7 secs Computing kpt #: 301 total cpu time spent up to now is 111.1 secs Computing kpt #: 302 total cpu time spent up to now is 111.5 secs Computing kpt #: 303 total cpu time spent up to now is 111.9 secs Computing kpt #: 304 total cpu time spent up to now is 112.3 secs Computing kpt #: 305 total cpu time spent up to now is 112.6 secs Computing kpt #: 306 total cpu time spent up to now is 113.0 secs Computing kpt #: 307 total cpu time spent up to now is 113.3 secs Computing kpt #: 308 total cpu time spent up to now is 113.7 secs Computing kpt #: 309 total cpu time spent up to now is 114.1 secs Computing kpt #: 310 total cpu time spent up to now is 114.4 secs Computing kpt #: 311 total cpu time spent up to now is 114.8 secs Computing kpt #: 312 total cpu time spent up to now is 115.1 secs Computing kpt #: 313 total cpu time spent up to now is 115.5 secs Computing kpt #: 314 total cpu time spent up to now is 115.9 secs Computing kpt #: 315 total cpu time spent up to now is 116.2 secs Computing kpt #: 316 total cpu time spent up to now is 116.6 secs Computing kpt #: 317 total cpu time spent up to now is 116.9 secs Computing kpt #: 318 total cpu time spent up to now is 117.3 secs Computing kpt #: 319 total cpu time spent up to now is 117.7 secs Computing kpt #: 320 total cpu time spent up to now is 118.1 secs Computing kpt #: 321 total cpu time spent up to now is 118.5 secs Computing kpt #: 322 total cpu time spent up to now is 118.9 secs Computing kpt #: 323 total cpu time spent up to now is 119.3 secs Computing kpt #: 324 total cpu time spent up to now is 119.7 secs Computing kpt #: 325 total cpu time spent up to now is 120.2 secs Computing kpt #: 326 total cpu time spent up to now is 120.6 secs Computing kpt #: 327 total cpu time spent up to now is 121.0 secs Computing kpt #: 328 total cpu time spent up to now is 121.4 secs Computing kpt #: 329 total cpu time spent up to now is 121.8 secs Computing kpt #: 330 total cpu time spent up to now is 122.2 secs Computing kpt #: 331 total cpu time spent up to now is 122.6 secs Computing kpt #: 332 total cpu time spent up to now is 122.9 secs Computing kpt #: 333 total cpu time spent up to now is 123.3 secs Computing kpt #: 334 total cpu time spent up to now is 123.7 secs Computing kpt #: 335 total cpu time spent up to now is 124.1 secs Computing kpt #: 336 total cpu time spent up to now is 124.4 secs Computing kpt #: 337 total cpu time spent up to now is 124.8 secs Computing kpt #: 338 total cpu time spent up to now is 125.1 secs Computing kpt #: 339 total cpu time spent up to now is 125.5 secs Computing kpt #: 340 total cpu time spent up to now is 125.8 secs Computing kpt #: 341 total cpu time spent up to now is 126.1 secs Computing kpt #: 342 total cpu time spent up to now is 126.4 secs Computing kpt #: 343 total cpu time spent up to now is 126.8 secs Computing kpt #: 344 total cpu time spent up to now is 127.1 secs Computing kpt #: 345 total cpu time spent up to now is 127.5 secs Computing kpt #: 346 total cpu time spent up to now is 127.8 secs Computing kpt #: 347 total cpu time spent up to now is 128.1 secs Computing kpt #: 348 total cpu time spent up to now is 128.5 secs Computing kpt #: 349 total cpu time spent up to now is 128.8 secs Computing kpt #: 350 total cpu time spent up to now is 129.1 secs Computing kpt #: 351 total cpu time spent up to now is 129.5 secs Computing kpt #: 352 total cpu time spent up to now is 129.8 secs Computing kpt #: 353 total cpu time spent up to now is 130.1 secs Computing kpt #: 354 total cpu time spent up to now is 130.5 secs Computing kpt #: 355 total cpu time spent up to now is 130.9 secs Computing kpt #: 356 total cpu time spent up to now is 131.2 secs Computing kpt #: 357 total cpu time spent up to now is 131.6 secs Computing kpt #: 358 total cpu time spent up to now is 132.0 secs Computing kpt #: 359 total cpu time spent up to now is 132.3 secs Computing kpt #: 360 total cpu time spent up to now is 132.7 secs Computing kpt #: 361 total cpu time spent up to now is 133.1 secs Computing kpt #: 362 total cpu time spent up to now is 133.5 secs Computing kpt #: 363 total cpu time spent up to now is 133.9 secs Computing kpt #: 364 total cpu time spent up to now is 134.4 secs Computing kpt #: 365 total cpu time spent up to now is 134.8 secs Computing kpt #: 366 total cpu time spent up to now is 135.2 secs Computing kpt #: 367 total cpu time spent up to now is 135.6 secs Computing kpt #: 368 total cpu time spent up to now is 136.0 secs Computing kpt #: 369 total cpu time spent up to now is 136.4 secs Computing kpt #: 370 total cpu time spent up to now is 136.7 secs Computing kpt #: 371 total cpu time spent up to now is 137.1 secs Computing kpt #: 372 total cpu time spent up to now is 137.5 secs Computing kpt #: 373 total cpu time spent up to now is 137.8 secs Computing kpt #: 374 total cpu time spent up to now is 138.2 secs Computing kpt #: 375 total cpu time spent up to now is 138.5 secs Computing kpt #: 376 total cpu time spent up to now is 138.9 secs Computing kpt #: 377 total cpu time spent up to now is 139.3 secs Computing kpt #: 378 total cpu time spent up to now is 139.7 secs Computing kpt #: 379 total cpu time spent up to now is 140.0 secs Computing kpt #: 380 total cpu time spent up to now is 140.5 secs Computing kpt #: 381 total cpu time spent up to now is 140.9 secs Computing kpt #: 382 total cpu time spent up to now is 141.3 secs Computing kpt #: 383 total cpu time spent up to now is 141.6 secs Computing kpt #: 384 total cpu time spent up to now is 142.0 secs Computing kpt #: 385 total cpu time spent up to now is 142.3 secs Computing kpt #: 386 total cpu time spent up to now is 142.7 secs Computing kpt #: 387 total cpu time spent up to now is 143.1 secs Computing kpt #: 388 total cpu time spent up to now is 143.4 secs Computing kpt #: 389 total cpu time spent up to now is 143.8 secs Computing kpt #: 390 total cpu time spent up to now is 144.2 secs Computing kpt #: 391 total cpu time spent up to now is 144.6 secs Computing kpt #: 392 total cpu time spent up to now is 145.0 secs Computing kpt #: 393 total cpu time spent up to now is 145.3 secs Computing kpt #: 394 total cpu time spent up to now is 145.7 secs Computing kpt #: 395 total cpu time spent up to now is 146.1 secs Computing kpt #: 396 total cpu time spent up to now is 146.5 secs ethr = 3.57E-08, avg # of iterations = 18.6 total cpu time spent up to now is 146.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3985 PWs) bands (ev): -17.8605 -17.8605 -17.5919 -17.5919 -9.0513 -9.0513 -8.5534 -8.5534 -7.5842 -7.5842 -7.2561 -7.2561 -7.1239 -7.1239 -6.6604 -6.6604 -5.1715 -5.1715 -2.9516 -2.9516 -2.8511 -2.8511 -2.2904 -2.2904 -1.7681 -1.7681 -0.5762 -0.5762 5.1843 5.1843 5.2027 5.2027 6.5504 6.5504 7.1294 7.1294 k = 0.0094 0.0100-0.0000 ( 3993 PWs) bands (ev): -17.8603 -17.8603 -17.5919 -17.5919 -9.0512 -9.0511 -8.5543 -8.5543 -7.5840 -7.5838 -7.2580 -7.2577 -7.1241 -7.1240 -6.6599 -6.6594 -5.1702 -5.1700 -2.9515 -2.9513 -2.8502 -2.8502 -2.2919 -2.2918 -1.7680 -1.7680 -0.5768 -0.5768 5.1862 5.1862 5.2040 5.2041 6.5515 6.5516 7.1283 7.1284 k = 0.0188 0.0200-0.0000 ( 3995 PWs) bands (ev): -17.8598 -17.8598 -17.5919 -17.5919 -9.0510 -9.0508 -8.5571 -8.5571 -7.5830 -7.5827 -7.2632 -7.2625 -7.1245 -7.1244 -6.6582 -6.6572 -5.1660 -5.1656 -2.9510 -2.9508 -2.8474 -2.8474 -2.2962 -2.2961 -1.7680 -1.7679 -0.5786 -0.5786 5.1917 5.1917 5.2082 5.2082 6.5550 6.5550 7.1249 7.1252 k = 0.0282 0.0301-0.0000 ( 3995 PWs) bands (ev): -17.8590 -17.8590 -17.5920 -17.5920 -9.0506 -9.0503 -8.5617 -8.5617 -7.5814 -7.5808 -7.2716 -7.2707 -7.1251 -7.1250 -6.6552 -6.6538 -5.1589 -5.1583 -2.9503 -2.9499 -2.8429 -2.8428 -2.3032 -2.3031 -1.7680 -1.7678 -0.5815 -0.5815 5.2009 5.2009 5.2150 5.2150 6.5607 6.5608 7.1195 7.1199 k = 0.0376 0.0401-0.0000 ( 4003 PWs) bands (ev): -17.8579 -17.8579 -17.5921 -17.5921 -9.0500 -9.0496 -8.5681 -8.5681 -7.5790 -7.5782 -7.2830 -7.2818 -7.1260 -7.1259 -6.6514 -6.6495 -5.1491 -5.1483 -2.9492 -2.9488 -2.8365 -2.8363 -2.3129 -2.3128 -1.7681 -1.7679 -0.5857 -0.5857 5.2138 5.2138 5.2246 5.2246 6.5687 6.5688 7.1122 7.1127 k = 0.0470 0.0501-0.0000 ( 4005 PWs) bands (ev): -17.8565 -17.8565 -17.5921 -17.5921 -9.0492 -9.0487 -8.5763 -8.5763 -7.5760 -7.5750 -7.2970 -7.2956 -7.1271 -7.1270 -6.6468 -6.6446 -5.1364 -5.1354 -2.9479 -2.9473 -2.8283 -2.8281 -2.3250 -2.3249 -1.7685 -1.7683 -0.5911 -0.5911 5.2304 5.2304 5.2368 5.2368 6.5789 6.5790 7.1031 7.1037 k = 0.0564 0.0601-0.0000 ( 4005 PWs) bands (ev): -17.8547 -17.8547 -17.5922 -17.5922 -9.0481 -9.0476 -8.5861 -8.5861 -7.5722 -7.5711 -7.3135 -7.3119 -7.1285 -7.1283 -6.6419 -6.6394 -5.1209 -5.1198 -2.9463 -2.9456 -2.8184 -2.8182 -2.3393 -2.3392 -1.7693 -1.7691 -0.5976 -0.5976 5.2503 5.2504 5.2519 5.2520 6.5912 6.5913 7.0925 7.0932 k = 0.0658 0.0701-0.0000 ( 4001 PWs) bands (ev): -17.8527 -17.8527 -17.5924 -17.5924 -9.0469 -9.0463 -8.5975 -8.5975 -7.5678 -7.5665 -7.3320 -7.3303 -7.1301 -7.1299 -6.6369 -6.6341 -5.1027 -5.1014 -2.9445 -2.9437 -2.8068 -2.8066 -2.3557 -2.3555 -1.7709 -1.7706 -0.6052 -0.6051 5.2689 5.2690 5.2747 5.2747 6.6056 6.6057 7.0807 7.0815 k = 0.0752 0.0802-0.0000 ( 4005 PWs) bands (ev): -17.8503 -17.8503 -17.5925 -17.5925 -9.0454 -9.0447 -8.6105 -8.6104 -7.5628 -7.5613 -7.3523 -7.3504 -7.1319 -7.1316 -6.6321 -6.6291 -5.0819 -5.0804 -2.9425 -2.9416 -2.7936 -2.7933 -2.3738 -2.3737 -1.7732 -1.7729 -0.6139 -0.6139 5.2889 5.2889 5.3021 5.3022 6.6219 6.6220 7.0679 7.0688 k = 0.0846 0.0902-0.0000 ( 4005 PWs) bands (ev): -17.8477 -17.8477 -17.5927 -17.5927 -9.0437 -9.0429 -8.6248 -8.6247 -7.5571 -7.5554 -7.3740 -7.3721 -7.1339 -7.1336 -6.6278 -6.6245 -5.0585 -5.0569 -2.9404 -2.9394 -2.7788 -2.7785 -2.3935 -2.3934 -1.7766 -1.7763 -0.6237 -0.6237 5.3113 5.3113 5.3333 5.3333 6.6399 6.6400 7.0545 7.0555 k = 0.0940 0.1002-0.0000 ( 4005 PWs) bands (ev): -17.8448 -17.8448 -17.5928 -17.5928 -9.0417 -9.0409 -8.6404 -8.6403 -7.5508 -7.5490 -7.3971 -7.3951 -7.1361 -7.1358 -6.6241 -6.6207 -5.0326 -5.0309 -2.9382 -2.9371 -2.7624 -2.7621 -2.4146 -2.4144 -1.7811 -1.7808 -0.6346 -0.6346 5.3361 5.3361 5.3680 5.3680 6.6595 6.6597 7.0406 7.0417 k = 0.1034 0.1102-0.0000 ( 4007 PWs) bands (ev): -17.8416 -17.8416 -17.5930 -17.5930 -9.0395 -9.0385 -8.6572 -8.6571 -7.5440 -7.5420 -7.4212 -7.4192 -7.1385 -7.1381 -6.6212 -6.6177 -5.0044 -5.0026 -2.9360 -2.9348 -2.7447 -2.7443 -2.4367 -2.4365 -1.7870 -1.7867 -0.6465 -0.6465 5.3632 5.3632 5.4062 5.4063 6.6805 6.6807 7.0266 7.0278 k = 0.1128 0.1202-0.0000 ( 4015 PWs) bands (ev): -17.8382 -17.8382 -17.5933 -17.5932 -9.0369 -9.0360 -8.6751 -8.6750 -7.5366 -7.5345 -7.4462 -7.4441 -7.1410 -7.1406 -6.6192 -6.6156 -4.9741 -4.9721 -2.9338 -2.9325 -2.7256 -2.7252 -2.4598 -2.4596 -1.7943 -1.7940 -0.6594 -0.6594 5.3927 5.3927 5.4480 5.4480 6.7026 6.7027 7.0126 7.0138 k = 0.1222 0.1303-0.0000 ( 4014 PWs) bands (ev): -17.8345 -17.8345 -17.5935 -17.5935 -9.0342 -9.0331 -8.6939 -8.6938 -7.5287 -7.5264 -7.4717 -7.4697 -7.1437 -7.1433 -6.6183 -6.6146 -4.9417 -4.9397 -2.9317 -2.9303 -2.7052 -2.7047 -2.4836 -2.4834 -1.8031 -1.8028 -0.6732 -0.6731 5.4245 5.4245 5.4932 5.4933 6.7253 6.7255 6.9989 7.0002 k = 0.1316 0.1403-0.0000 ( 4010 PWs) bands (ev): -17.8306 -17.8305 -17.5937 -17.5937 -9.0311 -9.0299 -8.7135 -8.7134 -7.5204 -7.5179 -7.4979 -7.4958 -7.1465 -7.1461 -6.6184 -6.6147 -4.9075 -4.9054 -2.9298 -2.9283 -2.6835 -2.6831 -2.5078 -2.5077 -1.8136 -1.8132 -0.6878 -0.6878 5.4586 5.4586 5.5418 5.5419 6.7483 6.7485 6.9856 6.9869 k = 0.1410 0.1503-0.0000 ( 4014 PWs) bands (ev): -17.8264 -17.8264 -17.5940 -17.5940 -9.0277 -9.0265 -8.7339 -8.7338 -7.5244 -7.5225 -7.5115 -7.5090 -7.1495 -7.1490 -6.6197 -6.6159 -4.8716 -4.8694 -2.9282 -2.9266 -2.6608 -2.6603 -2.5324 -2.5323 -1.8257 -1.8254 -0.7033 -0.7033 5.4949 5.4949 5.5938 5.5939 6.7709 6.7711 6.9729 6.9743 k = 0.1504 0.1603-0.0000 ( 4012 PWs) bands (ev): -17.8221 -17.8221 -17.5943 -17.5943 -9.0239 -9.0227 -8.7548 -8.7547 -7.5512 -7.5492 -7.5024 -7.4997 -7.1525 -7.1519 -6.6219 -6.6182 -4.8343 -4.8321 -2.9268 -2.9251 -2.6369 -2.6364 -2.5572 -2.5571 -1.8395 -1.8392 -0.7195 -0.7195 5.5336 5.5336 5.6490 5.6491 6.7924 6.7927 6.9608 6.9623 k = 0.1598 0.1703-0.0000 ( 4016 PWs) bands (ev): -17.8175 -17.8175 -17.5946 -17.5946 -9.0198 -9.0186 -8.7762 -8.7760 -7.5781 -7.5762 -7.4929 -7.4901 -7.1555 -7.1550 -6.6253 -6.6215 -4.7957 -4.7935 -2.9259 -2.9241 -2.6121 -2.6115 -2.5819 -2.5819 -1.8551 -1.8547 -0.7365 -0.7364 5.5746 5.5747 5.7075 5.7076 6.8120 6.8123 6.9496 6.9510 k = 0.1692 0.1804-0.0000 ( 4016 PWs) bands (ev): -17.8128 -17.8128 -17.5950 -17.5950 -9.0154 -9.0141 -8.7979 -8.7978 -7.6052 -7.6033 -7.4831 -7.4802 -7.1586 -7.1580 -6.6296 -6.6259 -4.7562 -4.7539 -2.9255 -2.9236 -2.6065 -2.6065 -2.5863 -2.5856 -1.8723 -1.8720 -0.7540 -0.7540 5.6180 5.6181 5.7690 5.7691 6.8286 6.8289 6.9392 6.9407 k = 0.1786 0.1904-0.0000 ( 4020 PWs) bands (ev): -17.8079 -17.8079 -17.5953 -17.5953 -9.0107 -9.0093 -8.8199 -8.8198 -7.6322 -7.6304 -7.4732 -7.4702 -7.1616 -7.1610 -6.6349 -6.6312 -4.7158 -4.7135 -2.9256 -2.9236 -2.6308 -2.6307 -2.5596 -2.5589 -1.8913 -1.8910 -0.7721 -0.7721 5.6639 5.6641 5.8335 5.8337 6.8409 6.8413 6.9297 6.9312 k = 0.1880 0.2004-0.0000 ( 4016 PWs) bands (ev): -17.8029 -17.8029 -17.5957 -17.5957 -9.0055 -9.0041 -8.8420 -8.8419 -7.6592 -7.6574 -7.4631 -7.4600 -7.1646 -7.1639 -6.6411 -6.6375 -4.6749 -4.6726 -2.9264 -2.9243 -2.6545 -2.6544 -2.5321 -2.5314 -1.9120 -1.9117 -0.7907 -0.7906 5.7124 5.7126 5.9010 5.9011 6.8477 6.8481 6.9212 6.9227 k = 0.1974 0.2104-0.0000 ( 4028 PWs) bands (ev): -17.7978 -17.7977 -17.5961 -17.5961 -9.0001 -8.9987 -8.8642 -8.8640 -7.6860 -7.6842 -7.4529 -7.4497 -7.1674 -7.1668 -6.6481 -6.6446 -4.6336 -4.6313 -2.9280 -2.9258 -2.6775 -2.6774 -2.5039 -2.5032 -1.9342 -1.9340 -0.8097 -0.8096 5.7635 5.7637 5.9711 5.9713 6.8476 6.8481 6.9135 6.9151 k = 0.2068 0.2204-0.0000 ( 4032 PWs) bands (ev): -17.7925 -17.7925 -17.5965 -17.5965 -8.9943 -8.9928 -8.8863 -8.8861 -7.7126 -7.7109 -7.4428 -7.4395 -7.1701 -7.1694 -6.6559 -6.6524 -4.5922 -4.5898 -2.9305 -2.9282 -2.6997 -2.6995 -2.4750 -2.4742 -1.9580 -1.9578 -0.8290 -0.8289 5.8174 5.8176 6.0439 6.0441 6.8395 6.8401 6.9068 6.9084 k = 0.2162 0.2305-0.0000 ( 4038 PWs) bands (ev): -17.7872 -17.7872 -17.5969 -17.5969 -8.9881 -8.9866 -8.9082 -8.9081 -7.7389 -7.7372 -7.4327 -7.4294 -7.1725 -7.1718 -6.6643 -6.6609 -4.5509 -4.5485 -2.9340 -2.9317 -2.7208 -2.7206 -2.4455 -2.4447 -1.9833 -1.9831 -0.8485 -0.8484 5.8740 5.8743 6.1192 6.1193 6.8227 6.8233 6.9009 6.9025 k = 0.2256 0.2405-0.0000 ( 4034 PWs) bands (ev): -17.7818 -17.7817 -17.5974 -17.5974 -8.9817 -8.9801 -8.9299 -8.9298 -7.7649 -7.7633 -7.4229 -7.4196 -7.1746 -7.1739 -6.6733 -6.6700 -4.5098 -4.5074 -2.9386 -2.9362 -2.7407 -2.7404 -2.4154 -2.4145 -2.0100 -2.0098 -0.8681 -0.8680 5.9336 5.9338 6.1967 6.1969 6.7970 6.7977 6.8958 6.8974 k = 0.2350 0.2505-0.0000 ( 4040 PWs) bands (ev): -17.7763 -17.7763 -17.5978 -17.5978 -8.9749 -8.9733 -8.9513 -8.9513 -7.7904 -7.7889 -7.4133 -7.4100 -7.1763 -7.1756 -6.6829 -6.6796 -4.4692 -4.4668 -2.9444 -2.9421 -2.7592 -2.7589 -2.3847 -2.3838 -2.0379 -2.0378 -0.8879 -0.8877 5.9961 5.9963 6.2763 6.2765 6.7629 6.7637 6.8915 6.8931 k = 0.2444 0.2605-0.0000 ( 4036 PWs) bands (ev): -17.7708 -17.7708 -17.5983 -17.5983 -8.9732 -8.9724 -8.9669 -8.9661 -7.8156 -7.8141 -7.4042 -7.4009 -7.1775 -7.1769 -6.6928 -6.6897 -4.4292 -4.4268 -2.9516 -2.9492 -2.7761 -2.7758 -2.3536 -2.3527 -2.0670 -2.0668 -0.9075 -0.9073 6.0615 6.0618 6.3577 6.3580 6.7214 6.7223 6.8877 6.8894 k = 0.2538 0.2705-0.0000 ( 4028 PWs) bands (ev): -17.7653 -17.7653 -17.5987 -17.5987 -8.9933 -8.9930 -8.9601 -8.9587 -7.8402 -7.8387 -7.3955 -7.3923 -7.1782 -7.1777 -6.7032 -6.7001 -4.3901 -4.3877 -2.9600 -2.9576 -2.7914 -2.7911 -2.3221 -2.3212 -2.0971 -2.0969 -0.9270 -0.9268 6.1300 6.1303 6.4407 6.4409 6.6741 6.6750 6.8846 6.8862 k = 0.2632 0.2806-0.0000 ( 4028 PWs) bands (ev): -17.7597 -17.7597 -17.5992 -17.5992 -9.0134 -9.0131 -8.9524 -8.9510 -7.8642 -7.8629 -7.3875 -7.3843 -7.1783 -7.1778 -6.7138 -6.7108 -4.3519 -4.3495 -2.9696 -2.9673 -2.8051 -2.8048 -2.2903 -2.2893 -2.1280 -2.1279 -0.9464 -0.9462 6.2013 6.2016 6.5240 6.5243 6.6230 6.6240 6.8818 6.8835 k = 0.2726 0.2906-0.0000 ( 4028 PWs) bands (ev): -17.7542 -17.7542 -17.5997 -17.5997 -9.0330 -9.0328 -8.9445 -8.9431 -7.8877 -7.8864 -7.3802 -7.3771 -7.1778 -7.1774 -6.7247 -6.7218 -4.3148 -4.3125 -2.9803 -2.9781 -2.8173 -2.8171 -2.2582 -2.2572 -2.1598 -2.1597 -0.9654 -0.9652 6.2755 6.2758 6.5600 6.5611 6.6170 6.6173 6.8795 6.8812 k = 0.2820 0.3006-0.0000 ( 4020 PWs) bands (ev): -17.7488 -17.7488 -17.6002 -17.6002 -9.0520 -9.0518 -8.9364 -8.9350 -7.9106 -7.9093 -7.3736 -7.3707 -7.1764 -7.1761 -6.7356 -6.7329 -4.2791 -4.2767 -2.9919 -2.9897 -2.8281 -2.8279 -2.2260 -2.2250 -2.1921 -2.1920 -0.9841 -0.9838 6.3523 6.3525 6.5050 6.5062 6.7005 6.7008 6.8775 6.8792 k = 0.2914 0.3106-0.0000 ( 4024 PWs) bands (ev): -17.7434 -17.7434 -17.6007 -17.6007 -9.0704 -9.0702 -8.9281 -8.9267 -7.9327 -7.9315 -7.3679 -7.3651 -7.1744 -7.1742 -6.7467 -6.7441 -4.2447 -4.2424 -3.0041 -3.0020 -2.8377 -2.8375 -2.2249 -2.2249 -2.1936 -2.1926 -1.0023 -1.0021 6.4312 6.4314 6.4459 6.4471 6.7875 6.7878 6.8760 6.8778 k = 0.3008 0.3207-0.0000 ( 4020 PWs) bands (ev): -17.7381 -17.7381 -17.6011 -17.6011 -9.0881 -9.0879 -8.9196 -8.9182 -7.9542 -7.9530 -7.3631 -7.3604 -7.1716 -7.1716 -6.7579 -6.7553 -4.2117 -4.2095 -3.0167 -3.0147 -2.8462 -2.8461 -2.2580 -2.2580 -2.1613 -2.1602 -1.0201 -1.0198 6.3859 6.3871 6.5116 6.5117 6.8750 6.8751 6.8758 6.8774 k = 0.3102 0.3307-0.0000 ( 4026 PWs) bands (ev): -17.7329 -17.7329 -17.6016 -17.6016 -9.1052 -9.1050 -8.9110 -8.9097 -7.9749 -7.9738 -7.3591 -7.3567 -7.1682 -7.1681 -6.7689 -6.7665 -4.1804 -4.1782 -3.0294 -3.0275 -2.8538 -2.8538 -2.2914 -2.2913 -2.1290 -2.1280 -1.0373 -1.0370 6.3260 6.3272 6.5918 6.5919 6.8771 6.8790 6.9628 6.9632 k = 0.3196 0.3407-0.0000 ( 4036 PWs) bands (ev): -17.7278 -17.7278 -17.6021 -17.6021 -9.1215 -9.1213 -8.9024 -8.9011 -7.9948 -7.9937 -7.3560 -7.3537 -7.1643 -7.1640 -6.7799 -6.7776 -4.1507 -4.1485 -3.0420 -3.0402 -2.8607 -2.8607 -2.3248 -2.3247 -2.0969 -2.0959 -1.0539 -1.0536 6.2667 6.2679 6.6681 6.6681 6.8843 6.8863 7.0501 7.0506 k = 0.3290 0.3507-0.0000 ( 4032 PWs) bands (ev): -17.7229 -17.7229 -17.6026 -17.6026 -9.1370 -9.1369 -8.8937 -8.8924 -8.0139 -8.0128 -7.3536 -7.3515 -7.1597 -7.1594 -6.7907 -6.7885 -4.1226 -4.1205 -3.0544 -3.0527 -2.8669 -2.8669 -2.3580 -2.3579 -2.0652 -2.0642 -1.0698 -1.0695 6.2085 6.2097 6.7314 6.7315 6.9057 6.9078 7.1368 7.1373 k = 0.3384 0.3607-0.0000 ( 4028 PWs) bands (ev): -17.7181 -17.7181 -17.6031 -17.6031 -9.1518 -9.1517 -8.8851 -8.8838 -8.0321 -8.0311 -7.3519 -7.3500 -7.1548 -7.1543 -6.8013 -6.7992 -4.0963 -4.0943 -3.0664 -3.0648 -2.8725 -2.8724 -2.3910 -2.3909 -2.0339 -2.0329 -1.0850 -1.0847 6.1518 6.1530 6.7692 6.7693 6.9537 6.9555 7.2224 7.2229 k = 0.3478 0.3708-0.0000 ( 4030 PWs) bands (ev): -17.7135 -17.7135 -17.6035 -17.6035 -9.1658 -9.1657 -8.8765 -8.8753 -8.0494 -8.0485 -7.3507 -7.3490 -7.1495 -7.1489 -6.8117 -6.8097 -4.0717 -4.0698 -3.0779 -3.0764 -2.8774 -2.8774 -2.4237 -2.4235 -2.0031 -2.0022 -1.0994 -1.0992 6.0969 6.0980 6.7826 6.7830 7.0262 7.0277 7.3064 7.3070 k = 0.3572 0.3808-0.0000 ( 4030 PWs) bands (ev): -17.7090 -17.7090 -17.6040 -17.6040 -9.1790 -9.1789 -8.8681 -8.8669 -8.0658 -8.0649 -7.3501 -7.3485 -7.1440 -7.1433 -6.8217 -6.8198 -4.0489 -4.0471 -3.0889 -3.0874 -2.8817 -2.8817 -2.4559 -2.4557 -1.9731 -1.9722 -1.1131 -1.1128 6.0440 6.0451 6.7833 6.7839 7.1111 7.1123 7.3886 7.3892 k = 0.3666 0.3908-0.0000 ( 4026 PWs) bands (ev): -17.7048 -17.7048 -17.6044 -17.6044 -9.1914 -9.1913 -8.8598 -8.8587 -8.0812 -8.0804 -7.3499 -7.3485 -7.1384 -7.1377 -6.8313 -6.8295 -4.0278 -4.0260 -3.0992 -3.0978 -2.8853 -2.8853 -2.4875 -2.4873 -1.9439 -1.9430 -1.1259 -1.1257 5.9934 5.9945 6.7781 6.7787 7.2008 7.2019 7.4684 7.4690 k = 0.3760 0.4008-0.0000 ( 4034 PWs) bands (ev): -17.7008 -17.7008 -17.6049 -17.6049 -9.2030 -9.2028 -8.8518 -8.8508 -8.0957 -8.0950 -7.3500 -7.3487 -7.1328 -7.1321 -6.8405 -6.8388 -4.0084 -4.0068 -3.1089 -3.1076 -2.8883 -2.8882 -2.5183 -2.5181 -1.9158 -1.9149 -1.1380 -1.1377 5.9454 5.9464 6.7697 6.7704 7.2918 7.2928 7.5455 7.5461 k = 0.3854 0.4108-0.0000 ( 4058 PWs) bands (ev): -17.6970 -17.6970 -17.6053 -17.6053 -9.2138 -9.2137 -8.8442 -8.8432 -8.1093 -8.1086 -7.3503 -7.3492 -7.1274 -7.1266 -6.8492 -6.8477 -3.9908 -3.9892 -3.1179 -3.1167 -2.8904 -2.8904 -2.5484 -2.5482 -1.8889 -1.8880 -1.1492 -1.1490 5.9000 5.9010 6.7596 6.7602 7.3817 7.3826 7.6194 7.6201 k = 0.3948 0.4209-0.0000 ( 4056 PWs) bands (ev): -17.6935 -17.6935 -17.6057 -17.6057 -9.2237 -9.2235 -8.8368 -8.8359 -8.1218 -8.1212 -7.3508 -7.3499 -7.1221 -7.1213 -6.8574 -6.8560 -3.9748 -3.9733 -3.1261 -3.1250 -2.8917 -2.8916 -2.5775 -2.5773 -1.8632 -1.8624 -1.1595 -1.1593 5.8576 5.8585 6.7483 6.7489 7.4685 7.4693 7.6898 7.6905 k = 0.4042 0.4309-0.0000 ( 4062 PWs) bands (ev): -17.6902 -17.6902 -17.6060 -17.6060 -9.2327 -9.2326 -8.8299 -8.8290 -8.1333 -8.1327 -7.3514 -7.3506 -7.1171 -7.1163 -6.8650 -6.8637 -3.9604 -3.9590 -3.1337 -3.1326 -2.8920 -2.8919 -2.6056 -2.6053 -1.8390 -1.8383 -1.1690 -1.1688 5.8182 5.8190 6.7364 6.7371 7.5502 7.5510 7.7563 7.7569 k = 0.4136 0.4409-0.0000 ( 4058 PWs) bands (ev): -17.6872 -17.6872 -17.6064 -17.6064 -9.2409 -9.2408 -8.8234 -8.8226 -8.1437 -8.1432 -7.3521 -7.3513 -7.1124 -7.1117 -6.8721 -6.8709 -3.9475 -3.9462 -3.1405 -3.1395 -2.8914 -2.8912 -2.6326 -2.6323 -1.8165 -1.8159 -1.1776 -1.1774 5.7819 5.7827 6.7244 6.7250 7.6251 7.6257 7.8184 7.8190 k = 0.4231 0.4509-0.0000 ( 4068 PWs) bands (ev): -17.6845 -17.6845 -17.6067 -17.6067 -9.2483 -9.2482 -8.8175 -8.8168 -8.1531 -8.1527 -7.3528 -7.3521 -7.1081 -7.1074 -6.8785 -6.8775 -3.9362 -3.9350 -3.1466 -3.1457 -2.8896 -2.8894 -2.6585 -2.6581 -1.7958 -1.7952 -1.1854 -1.1851 5.7490 5.7498 6.7126 6.7131 7.6914 7.6920 7.8756 7.8762 k = 0.4325 0.4609-0.0000 ( 4054 PWs) bands (ev): -17.6820 -17.6820 -17.6069 -17.6069 -9.2548 -9.2547 -8.8120 -8.8114 -8.1615 -8.1611 -7.3534 -7.3528 -7.1042 -7.1035 -6.8843 -6.8833 -3.9262 -3.9252 -3.1519 -3.1512 -2.8866 -2.8864 -2.6830 -2.6827 -1.7771 -1.7765 -1.1922 -1.1920 5.7196 5.7203 6.7014 6.7019 7.7482 7.7487 7.9277 7.9284 k = 0.4419 0.4710-0.0000 ( 4050 PWs) bands (ev): -17.6799 -17.6799 -17.6072 -17.6072 -9.2604 -9.2604 -8.8072 -8.8067 -8.1687 -8.1684 -7.3540 -7.3535 -7.1007 -7.1001 -6.8893 -6.8885 -3.9177 -3.9168 -3.1566 -3.1559 -2.8824 -2.8822 -2.7063 -2.7059 -1.7604 -1.7599 -1.1981 -1.1980 5.6938 5.6943 6.6910 6.6914 7.7952 7.7957 7.9743 7.9749 k = 0.4513 0.4810-0.0000 ( 4058 PWs) bands (ev): -17.6781 -17.6781 -17.6074 -17.6074 -9.2653 -9.2652 -8.8030 -8.8026 -8.1749 -8.1746 -7.3546 -7.3542 -7.0977 -7.0972 -6.8937 -6.8930 -3.9106 -3.9098 -3.1606 -3.1600 -2.8770 -2.8767 -2.7281 -2.7277 -1.7460 -1.7456 -1.2032 -1.2031 5.6716 5.6721 6.6817 6.6820 7.8330 7.8333 8.0149 8.0154 k = 0.4607 0.4910-0.0000 ( 4052 PWs) bands (ev): -17.6765 -17.6765 -17.6075 -17.6075 -9.2692 -9.2692 -8.7995 -8.7991 -8.1800 -8.1798 -7.3550 -7.3547 -7.0952 -7.0948 -6.8973 -6.8967 -3.9047 -3.9041 -3.1638 -3.1633 -2.8703 -2.8701 -2.7484 -2.7480 -1.7339 -1.7336 -1.2074 -1.2073 5.6532 5.6536 6.6737 6.6740 7.8623 7.8625 8.0492 8.0497 k = 0.4701 0.5010-0.0000 ( 4048 PWs) bands (ev): -17.6753 -17.6753 -17.6077 -17.6077 -9.2723 -9.2723 -8.7967 -8.7964 -8.1840 -8.1839 -7.3554 -7.3552 -7.0932 -7.0929 -6.9001 -6.8997 -3.9001 -3.8997 -3.1663 -3.1660 -2.8625 -2.8622 -2.7670 -2.7667 -1.7243 -1.7240 -1.2107 -1.2106 5.6387 5.6390 6.6672 6.6674 7.8841 7.8843 8.0767 8.0771 k = 0.4701 0.5010-0.0000 ( 4048 PWs) bands (ev): -17.6753 -17.6753 -17.6077 -17.6077 -9.2723 -9.2723 -8.7967 -8.7964 -8.1840 -8.1839 -7.3554 -7.3552 -7.0932 -7.0929 -6.9001 -6.8997 -3.9001 -3.8997 -3.1663 -3.1660 -2.8625 -2.8622 -2.7670 -2.7667 -1.7243 -1.7240 -1.2107 -1.2106 5.6387 5.6390 6.6672 6.6674 7.8841 7.8843 8.0767 8.0771 k = 0.4562 0.5010-0.0000 ( 4050 PWs) bands (ev): -17.6763 -17.6763 -17.6075 -17.6075 -9.2700 -9.2700 -8.7988 -8.7984 -8.1811 -8.1809 -7.3551 -7.3548 -7.0947 -7.0942 -6.8980 -6.8975 -3.9034 -3.9028 -3.1644 -3.1639 -2.8678 -2.8675 -2.7544 -2.7540 -1.7308 -1.7305 -1.2086 -1.2085 5.6477 5.6481 6.6719 6.6721 7.8611 7.8615 8.0566 8.0571 k = 0.4424 0.5010-0.0000 ( 4056 PWs) bands (ev): -17.6776 -17.6776 -17.6073 -17.6073 -9.2668 -9.2667 -8.8015 -8.8011 -8.1771 -8.1768 -7.3546 -7.3543 -7.0968 -7.0961 -6.8952 -6.8944 -3.9076 -3.9069 -3.1615 -3.1609 -2.8719 -2.8716 -2.7410 -2.7407 -1.7389 -1.7385 -1.2063 -1.2061 5.6575 5.6579 6.6781 6.6784 7.8206 7.8211 8.0296 8.0300 k = 0.4286 0.5010-0.0000 ( 4048 PWs) bands (ev): -17.6792 -17.6792 -17.6071 -17.6071 -9.2626 -9.2625 -8.8050 -8.8045 -8.1719 -8.1716 -7.3540 -7.3536 -7.0993 -7.0984 -6.8916 -6.8906 -3.9128 -3.9120 -3.1577 -3.1570 -2.8749 -2.8746 -2.7272 -2.7268 -1.7483 -1.7479 -1.2036 -1.2033 5.6679 5.6684 6.6857 6.6861 7.7680 7.7687 7.9960 7.9965 k = 0.4148 0.5010-0.0000 ( 4057 PWs) bands (ev): -17.6812 -17.6812 -17.6068 -17.6068 -9.2576 -9.2575 -8.8092 -8.8087 -8.1656 -8.1653 -7.3532 -7.3528 -7.1023 -7.1011 -6.8873 -6.8862 -3.9189 -3.9180 -3.1530 -3.1523 -2.8765 -2.8763 -2.7131 -2.7128 -1.7591 -1.7586 -1.2006 -1.2003 5.6788 5.6794 6.6946 6.6952 7.7081 7.7089 7.9565 7.9570 k = 0.4009 0.5010-0.0000 ( 4057 PWs) bands (ev): -17.6835 -17.6835 -17.6065 -17.6065 -9.2517 -9.2516 -8.8141 -8.8136 -8.1580 -8.1577 -7.3524 -7.3519 -7.1056 -7.1042 -6.8825 -6.8812 -3.9259 -3.9249 -3.1475 -3.1466 -2.8768 -2.8765 -2.6991 -2.6987 -1.7710 -1.7705 -1.1974 -1.1970 5.6901 5.6907 6.7048 6.7054 7.6447 7.6455 7.9119 7.9124 k = 0.3871 0.5010-0.0000 ( 4045 PWs) bands (ev): -17.6861 -17.6861 -17.6061 -17.6061 -9.2451 -9.2450 -8.8197 -8.8191 -8.1492 -8.1489 -7.3514 -7.3509 -7.1092 -7.1077 -6.8770 -6.8757 -3.9337 -3.9326 -3.1412 -3.1402 -2.8756 -2.8754 -2.6852 -2.6849 -1.7839 -1.7834 -1.1937 -1.1933 5.7014 5.7021 6.7159 6.7167 7.5804 7.5813 7.8631 7.8637 k = 0.3733 0.5010-0.0000 ( 4051 PWs) bands (ev): -17.6889 -17.6889 -17.6058 -17.6058 -9.2378 -9.2376 -8.8260 -8.8254 -8.1392 -8.1388 -7.3505 -7.3499 -7.1130 -7.1114 -6.8712 -6.8698 -3.9423 -3.9411 -3.1341 -3.1330 -2.8731 -2.8729 -2.6719 -2.6716 -1.7978 -1.7972 -1.1897 -1.1892 5.7126 5.7134 6.7277 6.7286 7.5172 7.5180 7.8114 7.8120 k = 0.3595 0.5010-0.0000 ( 4048 PWs) bands (ev): -17.6918 -17.6918 -17.6055 -17.6055 -9.2298 -9.2296 -8.8329 -8.8322 -8.1278 -8.1275 -7.3496 -7.3489 -7.1171 -7.1153 -6.8650 -6.8635 -3.9516 -3.9503 -3.1263 -3.1252 -2.8692 -2.8690 -2.6593 -2.6590 -1.8124 -1.8117 -1.1853 -1.1848 5.7235 5.7243 6.7400 6.7410 7.4563 7.4571 7.7579 7.7586 k = 0.3456 0.5010-0.0000 ( 4050 PWs) bands (ev): -17.6950 -17.6950 -17.6053 -17.6053 -9.2212 -9.2210 -8.8404 -8.8397 -8.1153 -8.1149 -7.3488 -7.3481 -7.1212 -7.1194 -6.8585 -6.8569 -3.9615 -3.9602 -3.1179 -3.1166 -2.8639 -2.8637 -2.6477 -2.6474 -1.8275 -1.8268 -1.1803 -1.1798 5.7336 5.7344 6.7522 6.7533 7.3986 7.3995 7.7042 7.7048 k = 0.3318 0.5010-0.0000 ( 4047 PWs) bands (ev): -17.6982 -17.6982 -17.6051 -17.6051 -9.2121 -9.2119 -8.8484 -8.8478 -8.1014 -8.1011 -7.3481 -7.3473 -7.1254 -7.1235 -6.8517 -6.8502 -3.9721 -3.9707 -3.1088 -3.1075 -2.8573 -2.8571 -2.6372 -2.6370 -1.8431 -1.8424 -1.1749 -1.1743 5.7426 5.7435 6.7638 6.7650 7.3450 7.3459 7.6516 7.6523 k = 0.3180 0.5010-0.0000 ( 4039 PWs) bands (ev): -17.7016 -17.7016 -17.6050 -17.6050 -9.2025 -9.2023 -8.8569 -8.8563 -8.0864 -8.0861 -7.3477 -7.3468 -7.1295 -7.1276 -6.8449 -6.8433 -3.9831 -3.9817 -3.0993 -3.0979 -2.8493 -2.8491 -2.6281 -2.6278 -1.8590 -1.8582 -1.1688 -1.1682 5.7503 5.7512 6.7738 6.7751 7.2959 7.2968 7.6020 7.6027 k = 0.3042 0.5010-0.0000 ( 4033 PWs) bands (ev): -17.7050 -17.7050 -17.6049 -17.6049 -9.1926 -9.1923 -8.8659 -8.8652 -8.0702 -8.0699 -7.3475 -7.3465 -7.1336 -7.1317 -6.8380 -6.8364 -3.9947 -3.9932 -3.0894 -3.0880 -2.8400 -2.8398 -2.6205 -2.6202 -1.8751 -1.8742 -1.1620 -1.1614 5.7563 5.7572 6.7810 6.7825 7.2523 7.2531 7.5569 7.5576 k = 0.2903 0.5010-0.0000 ( 4036 PWs) bands (ev): -17.7085 -17.7085 -17.6049 -17.6049 -9.1824 -9.1821 -8.8751 -8.8745 -8.0529 -8.0526 -7.3477 -7.3467 -7.1375 -7.1355 -6.8310 -6.8296 -4.0066 -4.0051 -3.0791 -3.0776 -2.8295 -2.8294 -2.6145 -2.6142 -1.8912 -1.8903 -1.1546 -1.1540 5.7604 5.7613 6.7836 6.7851 7.2153 7.2160 7.5179 7.5186 k = 0.2765 0.5010-0.0000 ( 4042 PWs) bands (ev): -17.7120 -17.7120 -17.6049 -17.6049 -9.1720 -9.1717 -8.8847 -8.8840 -8.0346 -8.0343 -7.3484 -7.3472 -7.1411 -7.1392 -6.8242 -6.8228 -4.0188 -4.0174 -3.0686 -3.0672 -2.8180 -2.8178 -2.6101 -2.6099 -1.9074 -1.9065 -1.1464 -1.1458 5.7624 5.7633 6.7791 6.7808 7.1867 7.1873 7.4863 7.4869 k = 0.2627 0.5010-0.0000 ( 4040 PWs) bands (ev): -17.7155 -17.7155 -17.6050 -17.6050 -9.1615 -9.1611 -8.8943 -8.8937 -8.0154 -8.0151 -7.3496 -7.3484 -7.1443 -7.1425 -6.8174 -6.8161 -4.0313 -4.0298 -3.0581 -3.0566 -2.8054 -2.8052 -2.6074 -2.6072 -1.9235 -1.9225 -1.1374 -1.1368 5.7623 5.7631 6.7651 6.7669 7.1688 7.1692 7.4628 7.4634 k = 0.2489 0.5010-0.0000 ( 4041 PWs) bands (ev): -17.7189 -17.7189 -17.6052 -17.6052 -9.1509 -9.1505 -8.9041 -8.9034 -7.9953 -7.9950 -7.3515 -7.3502 -7.1471 -7.1454 -6.8109 -6.8096 -4.0440 -4.0425 -3.0475 -3.0460 -2.7920 -2.7918 -2.6062 -2.6059 -1.9395 -1.9385 -1.1277 -1.1271 5.7600 5.7608 6.7403 6.7421 7.1630 7.1633 7.4476 7.4481 k = 0.2350 0.5010-0.0000 ( 4041 PWs) bands (ev): -17.7224 -17.7224 -17.6054 -17.6054 -9.1404 -9.1400 -8.9138 -8.9132 -7.9745 -7.9741 -7.3541 -7.3527 -7.1494 -7.1478 -6.8045 -6.8033 -4.0567 -4.0553 -3.0371 -3.0356 -2.7779 -2.7777 -2.6062 -2.6059 -1.9554 -1.9544 -1.1172 -1.1167 5.7557 5.7564 6.7050 6.7069 7.1693 7.1696 7.4402 7.4406 k = 0.2212 0.5010-0.0000 ( 4043 PWs) bands (ev): -17.7257 -17.7257 -17.6056 -17.6056 -9.1300 -9.1295 -8.9235 -8.9229 -7.9530 -7.9525 -7.3576 -7.3561 -7.1512 -7.1496 -6.7984 -6.7973 -4.0694 -4.0680 -3.0269 -3.0254 -2.7635 -2.7634 -2.6071 -2.6067 -1.9713 -1.9703 -1.1061 -1.1055 5.7496 5.7503 6.6613 6.6631 7.1863 7.1865 7.4399 7.4403 k = 0.2074 0.5010-0.0000 ( 4043 PWs) bands (ev): -17.7289 -17.7289 -17.6059 -17.6059 -9.1198 -9.1193 -8.9330 -8.9324 -7.9310 -7.9305 -7.3620 -7.3604 -7.1523 -7.1508 -6.7926 -6.7915 -4.0820 -4.0807 -3.0170 -3.0155 -2.7494 -2.7492 -2.6082 -2.6078 -1.9872 -1.9862 -1.0943 -1.0938 5.7421 5.7428 6.6117 6.6135 7.2117 7.2119 7.4459 7.4464 k = 0.1936 0.5010-0.0000 ( 4045 PWs) bands (ev): -17.7321 -17.7320 -17.6062 -17.6062 -9.1099 -9.1094 -8.9423 -8.9416 -7.9085 -7.9079 -7.3673 -7.3657 -7.1528 -7.1515 -6.7871 -6.7861 -4.0945 -4.0932 -3.0076 -3.0061 -2.7362 -2.7361 -2.6088 -2.6083 -2.0031 -2.0021 -1.0821 -1.0816 5.7335 5.7341 6.5585 6.5602 7.2432 7.2434 7.4574 7.4578 k = 0.1797 0.5010-0.0000 ( 4043 PWs) bands (ev): -17.7350 -17.7350 -17.6065 -17.6065 -9.1004 -9.0998 -8.9513 -8.9506 -7.8858 -7.8851 -7.3736 -7.3719 -7.1527 -7.1515 -6.7819 -6.7810 -4.1066 -4.1054 -2.9986 -2.9971 -2.7251 -2.7249 -2.6075 -2.6070 -2.0191 -2.0181 -1.0696 -1.0691 5.7242 5.7247 6.5037 6.5054 7.2783 7.2784 7.4734 7.4740 k = 0.1659 0.5010-0.0000 ( 4041 PWs) bands (ev): -17.7379 -17.7379 -17.6069 -17.6069 -9.0913 -9.0907 -8.9599 -8.9591 -7.8629 -7.8622 -7.3809 -7.3792 -7.1521 -7.1510 -6.7771 -6.7763 -4.1184 -4.1173 -2.9902 -2.9888 -2.7171 -2.7168 -2.6033 -2.6027 -2.0352 -2.0343 -1.0568 -1.0564 5.7145 5.7150 6.4488 6.4504 7.3139 7.3141 7.4933 7.4939 k = 0.1521 0.5010-0.0000 ( 4041 PWs) bands (ev): -17.7406 -17.7406 -17.6072 -17.6072 -9.0826 -9.0820 -8.9680 -8.9673 -7.8399 -7.8391 -7.3892 -7.3873 -7.1510 -7.1500 -6.7727 -6.7719 -4.1297 -4.1286 -2.9824 -2.9811 -2.7129 -2.7127 -2.5951 -2.5945 -2.0514 -2.0505 -1.0441 -1.0437 5.7048 5.7051 6.3950 6.3964 7.3460 7.3463 7.5153 7.5160 k = 0.1383 0.5010-0.0000 ( 4041 PWs) bands (ev): -17.7431 -17.7431 -17.6075 -17.6075 -9.0745 -9.0738 -8.9757 -8.9749 -7.8171 -7.8162 -7.3983 -7.3965 -7.1495 -7.1486 -6.7686 -6.7679 -4.1404 -4.1394 -2.9754 -2.9741 -2.7124 -2.7122 -2.5831 -2.5824 -2.0678 -2.0670 -1.0316 -1.0312 5.6953 5.6956 6.3432 6.3446 7.3700 7.3702 7.5352 7.5358 k = 0.1244 0.5010-0.0000 ( 4040 PWs) bands (ev): -17.7454 -17.7454 -17.6079 -17.6079 -9.0671 -9.0663 -8.9828 -8.9820 -7.7945 -7.7936 -7.4083 -7.4064 -7.1477 -7.1469 -6.7649 -6.7643 -4.1504 -4.1495 -2.9690 -2.9678 -2.7148 -2.7146 -2.5680 -2.5674 -2.0843 -2.0835 -1.0194 -1.0191 5.6864 5.6865 6.2942 6.2955 7.3819 7.3821 7.5489 7.5494 k = 0.1106 0.5010-0.0000 ( 4042 PWs) bands (ev): -17.7475 -17.7475 -17.6082 -17.6082 -9.0602 -9.0594 -8.9893 -8.9885 -7.7724 -7.7714 -7.4189 -7.4170 -7.1457 -7.1450 -6.7616 -6.7611 -4.1597 -4.1589 -2.9634 -2.9623 -2.7189 -2.7188 -2.5510 -2.5504 -2.1008 -2.1000 -1.0079 -1.0076 5.6780 5.6782 6.2488 6.2500 7.3820 7.3821 7.5608 7.5611 k = 0.0968 0.5010-0.0000 ( 4037 PWs) bands (ev): -17.7493 -17.7493 -17.6085 -17.6085 -9.0540 -9.0531 -8.9952 -8.9943 -7.7509 -7.7498 -7.4301 -7.4282 -7.1437 -7.1431 -6.7587 -6.7582 -4.1681 -4.1674 -2.9585 -2.9575 -2.7239 -2.7238 -2.5330 -2.5325 -2.1171 -2.1164 -0.9971 -0.9969 5.6705 5.6706 6.2074 6.2085 7.3743 7.3744 7.5742 7.5744 k = 0.0830 0.5010-0.0000 ( 4037 PWs) bands (ev): -17.7510 -17.7510 -17.6088 -17.6088 -9.0485 -9.0475 -9.0005 -8.9995 -7.7303 -7.7292 -7.4416 -7.4399 -7.1417 -7.1412 -6.7562 -6.7558 -4.1756 -4.1750 -2.9543 -2.9535 -2.7291 -2.7290 -2.5148 -2.5143 -2.1330 -2.1324 -0.9874 -0.9872 5.6639 5.6640 6.1706 6.1715 7.3632 7.3633 7.5876 7.5877 k = 0.0691 0.5010-0.0000 ( 4037 PWs) bands (ev): -17.7524 -17.7524 -17.6090 -17.6090 -9.0437 -9.0427 -9.0051 -9.0041 -7.7109 -7.7098 -7.4532 -7.4515 -7.1398 -7.1393 -6.7540 -6.7537 -4.1821 -4.1815 -2.9509 -2.9501 -2.7340 -2.7339 -2.4972 -2.4967 -2.1483 -2.1477 -0.9788 -0.9786 5.6582 5.6583 6.1387 6.1396 7.3516 7.3516 7.5993 7.5993 k = 0.0553 0.5010-0.0000 ( 4032 PWs) bands (ev): -17.7536 -17.7536 -17.6092 -17.6092 -9.0397 -9.0386 -9.0090 -9.0079 -7.6932 -7.6922 -7.4644 -7.4629 -7.1381 -7.1377 -6.7523 -6.7520 -4.1874 -4.1870 -2.9481 -2.9475 -2.7383 -2.7383 -2.4809 -2.4805 -2.1623 -2.1618 -0.9715 -0.9714 5.6536 5.6537 6.1122 6.1129 7.3409 7.3410 7.6081 7.6082 k = 0.0415 0.5010-0.0000 ( 4032 PWs) bands (ev): -17.7545 -17.7545 -17.6094 -17.6094 -9.0363 -9.0353 -9.0121 -9.0111 -7.6777 -7.6768 -7.4746 -7.4734 -7.1367 -7.1364 -6.7509 -6.7507 -4.1916 -4.1913 -2.9460 -2.9456 -2.7419 -2.7419 -2.4667 -2.4664 -2.1745 -2.1741 -0.9657 -0.9656 5.6500 5.6501 6.0913 6.0919 7.3321 7.3322 7.6139 7.6139 k = 0.0277 0.5010-0.0000 ( 4032 PWs) bands (ev): -17.7551 -17.7551 -17.6095 -17.6095 -9.0337 -9.0329 -9.0144 -9.0136 -7.6654 -7.6647 -7.4831 -7.4822 -7.1356 -7.1354 -6.7499 -6.7498 -4.1947 -4.1945 -2.9446 -2.9443 -2.7445 -2.7445 -2.4555 -2.4553 -2.1841 -2.1838 -0.9615 -0.9614 5.6475 5.6475 6.0763 6.0766 7.3256 7.3256 7.6170 7.6171 k = 0.0138 0.5010-0.0000 ( 4039 PWs) bands (ev): -17.7555 -17.7555 -17.6096 -17.6096 -9.0319 -9.0314 -9.0158 -9.0153 -7.6573 -7.6569 -7.4887 -7.4882 -7.1349 -7.1349 -6.7494 -6.7493 -4.1965 -4.1964 -2.9437 -2.9435 -2.7462 -2.7461 -2.4483 -2.4482 -2.1903 -2.1901 -0.9590 -0.9589 5.6460 5.6460 6.0672 6.0674 7.3216 7.3216 7.6184 7.6184 k = 0.0000 0.5010-0.0000 ( 4040 PWs) bands (ev): -17.7557 -17.7557 -17.6096 -17.6096 -9.0311 -9.0311 -9.0161 -9.0161 -7.6543 -7.6543 -7.4906 -7.4906 -7.1347 -7.1347 -6.7491 -6.7491 -4.1971 -4.1971 -2.9433 -2.9433 -2.7467 -2.7467 -2.4458 -2.4458 -2.1924 -2.1924 -0.9581 -0.9581 5.6455 5.6455 6.0642 6.0642 7.3203 7.3203 7.6188 7.6188 k = 0.0000 0.5010-0.0000 ( 4040 PWs) bands (ev): -17.7557 -17.7557 -17.6096 -17.6096 -9.0311 -9.0311 -9.0161 -9.0161 -7.6543 -7.6543 -7.4906 -7.4906 -7.1347 -7.1347 -6.7491 -6.7491 -4.1971 -4.1971 -2.9433 -2.9433 -2.7467 -2.7467 -2.4458 -2.4458 -2.1924 -2.1924 -0.9581 -0.9581 5.6455 5.6455 6.0642 6.0642 7.3203 7.3203 7.6188 7.6188 k = 0.0000 0.5010 0.0137 ( 4038 PWs) bands (ev): -17.7555 -17.7555 -17.6097 -17.6097 -9.0315 -9.0314 -9.0167 -9.0166 -7.6533 -7.6533 -7.4907 -7.4907 -7.1345 -7.1345 -6.7488 -6.7487 -4.1972 -4.1972 -2.9547 -2.9545 -2.7364 -2.7362 -2.4454 -2.4454 -2.1913 -2.1913 -0.9589 -0.9588 5.6462 5.6462 6.0646 6.0646 7.3202 7.3202 7.6121 7.6125 k = 0.0000 0.5010 0.0274 ( 4042 PWs) bands (ev): -17.7552 -17.7552 -17.6101 -17.6101 -9.0324 -9.0324 -9.0182 -9.0182 -7.6504 -7.6503 -7.4911 -7.4911 -7.1340 -7.1338 -6.7476 -6.7475 -4.1978 -4.1977 -2.9835 -2.9832 -2.7105 -2.7101 -2.4442 -2.4442 -2.1881 -2.1880 -0.9611 -0.9611 5.6482 5.6482 6.0658 6.0658 7.3198 7.3200 7.5938 7.5944 k = 0.0000 0.5010 0.0411 ( 4044 PWs) bands (ev): -17.7545 -17.7545 -17.6107 -17.6107 -9.0340 -9.0339 -9.0208 -9.0208 -7.6455 -7.6455 -7.4917 -7.4917 -7.1330 -7.1328 -6.7457 -6.7456 -4.1986 -4.1985 -3.0216 -3.0212 -2.6771 -2.6766 -2.4422 -2.4422 -2.1826 -2.1824 -0.9649 -0.9649 5.6516 5.6516 6.0677 6.0677 7.3192 7.3194 7.5669 7.5676 k = 0.0000 0.5010 0.0548 ( 4038 PWs) bands (ev): -17.7536 -17.7536 -17.6115 -17.6115 -9.0361 -9.0361 -9.0243 -9.0242 -7.6389 -7.6388 -7.4925 -7.4925 -7.1315 -7.1313 -6.7431 -6.7429 -4.1996 -4.1996 -3.0644 -3.0640 -2.6410 -2.6405 -2.4394 -2.4394 -2.1747 -2.1745 -0.9702 -0.9702 5.6564 5.6564 6.0704 6.0705 7.3182 7.3185 7.5344 7.5352 k = 0.0000 0.5010 0.0685 ( 4036 PWs) bands (ev): -17.7525 -17.7525 -17.6126 -17.6126 -9.0388 -9.0388 -9.0287 -9.0286 -7.6306 -7.6305 -7.4936 -7.4936 -7.1295 -7.1292 -6.7399 -6.7397 -4.2008 -4.2008 -3.1097 -3.1093 -2.6047 -2.6041 -2.4360 -2.4359 -2.1642 -2.1639 -0.9770 -0.9770 5.6625 5.6625 6.0739 6.0740 7.3166 7.3170 7.4986 7.4994 k = 0.0000 0.5010 0.0823 ( 4034 PWs) bands (ev): -17.7512 -17.7512 -17.6139 -17.6139 -9.0421 -9.0420 -9.0338 -9.0337 -7.6209 -7.6208 -7.4947 -7.4947 -7.1269 -7.1266 -6.7363 -6.7361 -4.2021 -4.2021 -3.1564 -3.1560 -2.5694 -2.5689 -2.4318 -2.4317 -2.1510 -2.1506 -0.9853 -0.9852 5.6699 5.6699 6.0782 6.0783 7.3144 7.3148 7.4612 7.4621 k = 0.0000 0.5010 0.0960 ( 4040 PWs) bands (ev): -17.7496 -17.7496 -17.6154 -17.6154 -9.0459 -9.0458 -9.0396 -9.0395 -7.6100 -7.6099 -7.4959 -7.4959 -7.1237 -7.1232 -6.7325 -6.7322 -4.2034 -4.2034 -3.2038 -3.2034 -2.5362 -2.5356 -2.4270 -2.4269 -2.1348 -2.1343 -0.9951 -0.9950 5.6786 5.6786 6.0833 6.0834 7.3113 7.3117 7.4235 7.4244 k = 0.0000 0.5010 0.1097 ( 4032 PWs) bands (ev): -17.7477 -17.7477 -17.6172 -17.6172 -9.0501 -9.0501 -9.0458 -9.0457 -7.5983 -7.5981 -7.4970 -7.4970 -7.1195 -7.1190 -6.7285 -6.7282 -4.2045 -4.2045 -3.2515 -3.2510 -2.5054 -2.5047 -2.4216 -2.4215 -2.1155 -2.1150 -1.0064 -1.0063 5.6887 5.6887 6.0892 6.0893 7.3071 7.3076 7.3864 7.3873 k = 0.0000 0.5010 0.1234 ( 4036 PWs) bands (ev): -17.7457 -17.7457 -17.6192 -17.6192 -9.0550 -9.0549 -9.0524 -9.0522 -7.5859 -7.5856 -7.4982 -7.4981 -7.1145 -7.1139 -6.7246 -6.7243 -4.2054 -4.2053 -3.2992 -3.2988 -2.4774 -2.4768 -2.4157 -2.4157 -2.0930 -2.0925 -1.0191 -1.0190 5.7000 5.7000 6.0958 6.0960 7.3017 7.3022 7.3506 7.3515 k = 0.0000 0.5010 0.1371 ( 4034 PWs) bands (ev): -17.7434 -17.7434 -17.6213 -17.6213 -9.0607 -9.0607 -9.0586 -9.0584 -7.5731 -7.5729 -7.4991 -7.4991 -7.1083 -7.1077 -6.7210 -6.7206 -4.2058 -4.2057 -3.3468 -3.3463 -2.4524 -2.4518 -2.4094 -2.4093 -2.0675 -2.0670 -1.0333 -1.0332 5.7126 5.7126 6.1031 6.1032 7.2949 7.2954 7.3165 7.3175 k = 0.0000 0.5010 0.1508 ( 4036 PWs) bands (ev): -17.7409 -17.7409 -17.6237 -17.6237 -9.0675 -9.0674 -9.0643 -9.0641 -7.5604 -7.5601 -7.5000 -7.4999 -7.1010 -7.1003 -6.7178 -6.7174 -4.2056 -4.2055 -3.3940 -3.3936 -2.4303 -2.4297 -2.4027 -2.4026 -2.0392 -2.0387 -1.0490 -1.0488 5.7264 5.7264 6.1109 6.1110 7.2846 7.2857 7.2868 7.2872 k = 0.0000 0.5010 0.1645 ( 4030 PWs) bands (ev): -17.7382 -17.7382 -17.6263 -17.6263 -9.0746 -9.0745 -9.0699 -9.0697 -7.5480 -7.5476 -7.5006 -7.5005 -7.0923 -7.0915 -6.7152 -6.7147 -4.2047 -4.2045 -3.4407 -3.4403 -2.4110 -2.4105 -2.3957 -2.3956 -2.0084 -2.0079 -1.0660 -1.0658 5.7414 5.7414 6.1190 6.1191 7.2552 7.2563 7.2769 7.2774 k = 0.0000 0.5010 0.1782 ( 4030 PWs) bands (ev): -17.7354 -17.7354 -17.6291 -17.6291 -9.0818 -9.0817 -9.0755 -9.0753 -7.5361 -7.5358 -7.5009 -7.5009 -7.0822 -7.0814 -6.7135 -6.7129 -4.2029 -4.2027 -3.4869 -3.4865 -2.3942 -2.3937 -2.3885 -2.3885 -1.9755 -1.9750 -1.0844 -1.0842 5.7576 5.7576 6.1273 6.1274 7.2285 7.2296 7.2657 7.2661 k = 0.0000 0.5010 0.1919 ( 4026 PWs) bands (ev): -17.7323 -17.7323 -17.6320 -17.6320 -9.0888 -9.0887 -9.0813 -9.0811 -7.5251 -7.5247 -7.5010 -7.5010 -7.0706 -7.0697 -6.7127 -6.7121 -4.2000 -4.1998 -3.5324 -3.5319 -2.3813 -2.3812 -2.3796 -2.3791 -1.9410 -1.9405 -1.1042 -1.1039 5.7749 5.7749 6.1354 6.1355 7.2047 7.2058 7.2530 7.2534 k = 0.0000 0.5010 0.2056 ( 4022 PWs) bands (ev): -17.7291 -17.7291 -17.6352 -17.6352 -9.0956 -9.0954 -9.0870 -9.0868 -7.5152 -7.5148 -7.5008 -7.5007 -7.0574 -7.0565 -6.7130 -6.7124 -4.1958 -4.1956 -3.5770 -3.5765 -2.3739 -2.3738 -2.3670 -2.3665 -1.9052 -1.9047 -1.1252 -1.1250 5.7933 5.7934 6.1430 6.1431 7.1838 7.1850 7.2392 7.2395 k = 0.0000 0.5010 0.2193 ( 4022 PWs) bands (ev): -17.7257 -17.7257 -17.6384 -17.6384 -9.1020 -9.1018 -9.0927 -9.0925 -7.5064 -7.5060 -7.5003 -7.5001 -7.0428 -7.0418 -6.7146 -6.7140 -4.1904 -4.1901 -3.6206 -3.6202 -2.3666 -2.3666 -2.3561 -2.3556 -1.8686 -1.8680 -1.1476 -1.1474 5.8128 5.8129 6.1497 6.1498 7.1660 7.1672 7.2247 7.2249 k = 0.0000 0.5010 0.2330 ( 4028 PWs) bands (ev): -17.7222 -17.7222 -17.6419 -17.6419 -9.1080 -9.1078 -9.0983 -9.0981 -7.5000 -7.5000 -7.4983 -7.4978 -7.0267 -7.0257 -6.7176 -6.7170 -4.1834 -4.1832 -3.6633 -3.6629 -2.3595 -2.3594 -2.3467 -2.3463 -1.8313 -1.8308 -1.1713 -1.1710 5.8333 5.8333 6.1551 6.1551 7.1513 7.1525 7.2099 7.2100 k = 0.0000 0.5010 0.2468 ( 4036 PWs) bands (ev): -17.7185 -17.7185 -17.6455 -17.6455 -9.1135 -9.1133 -9.1037 -9.1035 -7.4986 -7.4985 -7.4925 -7.4920 -7.0094 -7.0083 -6.7221 -6.7214 -4.1749 -4.1746 -3.7049 -3.7044 -2.3526 -2.3525 -2.3386 -2.3382 -1.7938 -1.7933 -1.1961 -1.1958 5.8547 5.8547 6.1587 6.1587 7.1396 7.1408 7.1955 7.1956 k = 0.0000 0.5010 0.2605 ( 4036 PWs) bands (ev): -17.7147 -17.7147 -17.6492 -17.6492 -9.1185 -9.1183 -9.1088 -9.1086 -7.4972 -7.4971 -7.4875 -7.4870 -6.9909 -6.9898 -6.7282 -6.7274 -4.1646 -4.1643 -3.7452 -3.7447 -2.3460 -2.3460 -2.3317 -2.3313 -1.7561 -1.7556 -1.2221 -1.2218 5.8769 5.8770 6.1600 6.1600 7.1309 7.1322 7.1823 7.1824 k = 0.0000 0.5010 0.2742 ( 4028 PWs) bands (ev): -17.7108 -17.7108 -17.6530 -17.6530 -9.1228 -9.1226 -9.1137 -9.1134 -7.4955 -7.4954 -7.4837 -7.4833 -6.9715 -6.9704 -6.7358 -6.7350 -4.1525 -4.1522 -3.7842 -3.7837 -2.3398 -2.3397 -2.3259 -2.3256 -1.7185 -1.7180 -1.2492 -1.2489 5.8999 5.9000 6.1586 6.1587 7.1252 7.1265 7.1710 7.1710 k = 0.0000 0.5010 0.2879 ( 4030 PWs) bands (ev): -17.7069 -17.7069 -17.6569 -17.6569 -9.1265 -9.1263 -9.1181 -9.1179 -7.4937 -7.4935 -7.4811 -7.4806 -6.9515 -6.9504 -6.7450 -6.7442 -4.1385 -4.1382 -3.8218 -3.8213 -2.3340 -2.3340 -2.3211 -2.3209 -1.6811 -1.6806 -1.2773 -1.2771 5.9236 5.9236 6.1543 6.1543 7.1221 7.1234 7.1620 7.1621 k = 0.0000 0.5010 0.3016 ( 4022 PWs) bands (ev): -17.7028 -17.7028 -17.6609 -17.6609 -9.1295 -9.1293 -9.1221 -9.1219 -7.4917 -7.4916 -7.4794 -7.4790 -6.9310 -6.9300 -6.7558 -6.7550 -4.1227 -4.1223 -3.8579 -3.8575 -2.3288 -2.3288 -2.3174 -2.3172 -1.6439 -1.6435 -1.3065 -1.3062 5.9476 5.9477 6.1467 6.1468 7.1216 7.1230 7.1556 7.1557 k = 0.0000 0.5010 0.3153 ( 4028 PWs) bands (ev): -17.6987 -17.6986 -17.6649 -17.6649 -9.1319 -9.1317 -9.1257 -9.1255 -7.4897 -7.4895 -7.4786 -7.4782 -6.9105 -6.9094 -6.7682 -6.7673 -4.1048 -4.1044 -3.8925 -3.8921 -2.3242 -2.3242 -2.3146 -2.3144 -1.6073 -1.6069 -1.3367 -1.3364 5.9719 5.9720 6.1360 6.1361 7.1233 7.1246 7.1516 7.1519 k = 0.0000 0.5010 0.3290 ( 4032 PWs) bands (ev): -17.6945 -17.6945 -17.6691 -17.6691 -9.1335 -9.1333 -9.1287 -9.1285 -7.4876 -7.4874 -7.4786 -7.4782 -6.8901 -6.8890 -6.7821 -6.7812 -4.0850 -4.0846 -3.9255 -3.9250 -2.3202 -2.3202 -2.3129 -2.3127 -1.5711 -1.5707 -1.3678 -1.3675 5.9962 5.9964 6.1223 6.1224 7.1267 7.1281 7.1493 7.1497 k = 0.0000 0.5010 0.3427 ( 4036 PWs) bands (ev): -17.6903 -17.6903 -17.6733 -17.6733 -9.1344 -9.1342 -9.1311 -9.1309 -7.4855 -7.4852 -7.4792 -7.4788 -6.8700 -6.8689 -6.7974 -6.7965 -4.0632 -4.0628 -3.9567 -3.9562 -2.3170 -2.3169 -2.3120 -2.3118 -1.5355 -1.5351 -1.3998 -1.3995 6.0203 6.0204 6.1057 6.1059 7.1314 7.1328 7.1475 7.1482 k = 0.0000 0.5010 0.3564 ( 4038 PWs) bands (ev): -17.6860 -17.6860 -17.6775 -17.6775 -9.1346 -9.1344 -9.1330 -9.1328 -7.4835 -7.4833 -7.4803 -7.4799 -6.8505 -6.8495 -6.8140 -6.8131 -4.0394 -4.0390 -3.9861 -3.9857 -2.3145 -2.3144 -2.3119 -2.3118 -1.5005 -1.5001 -1.4326 -1.4322 6.0436 6.0438 6.0868 6.0870 7.1365 7.1378 7.1450 7.1460 k = 0.0000 0.5010 0.3701 ( 4040 PWs) bands (ev): -17.6818 -17.6818 -17.6818 -17.6818 -9.1341 -9.1341 -9.1339 -9.1339 -7.4818 -7.4818 -7.4815 -7.4815 -6.8318 -6.8318 -6.8308 -6.8308 -4.0137 -4.0137 -4.0133 -4.0133 -2.3128 -2.3128 -2.3127 -2.3127 -1.4662 -1.4662 -1.4658 -1.4658 6.0660 6.0660 6.0661 6.0661 7.1413 7.1413 7.1425 7.1425 k = 0.0000 0.5010 0.3701 ( 4040 PWs) bands (ev): -17.6818 -17.6818 -17.6818 -17.6818 -9.1341 -9.1341 -9.1339 -9.1339 -7.4818 -7.4818 -7.4815 -7.4815 -6.8318 -6.8318 -6.8308 -6.8308 -4.0137 -4.0137 -4.0133 -4.0133 -2.3128 -2.3128 -2.3127 -2.3127 -1.4662 -1.4662 -1.4658 -1.4658 6.0660 6.0660 6.0661 6.0661 7.1413 7.1413 7.1425 7.1425 k = 0.0138 0.5010 0.3701 ( 4038 PWs) bands (ev): -17.6817 -17.6817 -17.6817 -17.6817 -9.1340 -9.1340 -9.1338 -9.1338 -7.4829 -7.4829 -7.4824 -7.4824 -6.8316 -6.8316 -6.8306 -6.8306 -4.0129 -4.0129 -4.0125 -4.0125 -2.3129 -2.3129 -2.3128 -2.3128 -1.4667 -1.4667 -1.4664 -1.4664 6.0684 6.0684 6.0685 6.0685 7.1233 7.1233 7.1246 7.1246 k = 0.0277 0.5010 0.3701 ( 4042 PWs) bands (ev): -17.6814 -17.6814 -17.6814 -17.6814 -9.1338 -9.1338 -9.1335 -9.1335 -7.4860 -7.4860 -7.4854 -7.4854 -6.8313 -6.8313 -6.8301 -6.8301 -4.0106 -4.0106 -4.0101 -4.0101 -2.3132 -2.3132 -2.3130 -2.3130 -1.4685 -1.4685 -1.4681 -1.4681 6.0755 6.0755 6.0757 6.0757 7.0820 7.0820 7.0833 7.0833 k = 0.0415 0.5010 0.3701 ( 4044 PWs) bands (ev): -17.6811 -17.6811 -17.6811 -17.6811 -9.1334 -9.1334 -9.1331 -9.1331 -7.4912 -7.4912 -7.4902 -7.4902 -6.8306 -6.8306 -6.8294 -6.8294 -4.0067 -4.0067 -4.0063 -4.0063 -2.3136 -2.3136 -2.3133 -2.3133 -1.4713 -1.4713 -1.4709 -1.4709 6.0874 6.0874 6.0875 6.0875 7.0315 7.0315 7.0328 7.0328 k = 0.0553 0.5010 0.3701 ( 4040 PWs) bands (ev): -17.6805 -17.6805 -17.6805 -17.6805 -9.1328 -9.1328 -9.1324 -9.1324 -7.4982 -7.4982 -7.4970 -7.4970 -6.8298 -6.8298 -6.8284 -6.8284 -4.0014 -4.0014 -4.0009 -4.0009 -2.3142 -2.3142 -2.3137 -2.3137 -1.4752 -1.4752 -1.4748 -1.4748 6.1038 6.1038 6.1041 6.1041 6.9774 6.9774 6.9787 6.9787 k = 0.0691 0.5010 0.3701 ( 4038 PWs) bands (ev): -17.6798 -17.6798 -17.6798 -17.6798 -9.1321 -9.1321 -9.1317 -9.1317 -7.5070 -7.5070 -7.5055 -7.5055 -6.8288 -6.8288 -6.8273 -6.8273 -3.9947 -3.9947 -3.9942 -3.9942 -2.3148 -2.3148 -2.3143 -2.3143 -1.4801 -1.4801 -1.4796 -1.4796 6.1247 6.1247 6.1250 6.1250 6.9219 6.9219 6.9231 6.9231 k = 0.0830 0.5010 0.3701 ( 4040 PWs) bands (ev): -17.6790 -17.6790 -17.6790 -17.6790 -9.1312 -9.1312 -9.1308 -9.1308 -7.5173 -7.5173 -7.5156 -7.5156 -6.8277 -6.8277 -6.8261 -6.8261 -3.9867 -3.9867 -3.9862 -3.9862 -2.3155 -2.3155 -2.3149 -2.3149 -1.4860 -1.4860 -1.4855 -1.4855 6.1499 6.1499 6.1502 6.1502 6.8658 6.8658 6.8670 6.8670 k = 0.0968 0.5010 0.3701 ( 4044 PWs) bands (ev): -17.6780 -17.6780 -17.6780 -17.6780 -9.1302 -9.1302 -9.1297 -9.1297 -7.5291 -7.5291 -7.5271 -7.5271 -6.8266 -6.8266 -6.8249 -6.8249 -3.9776 -3.9776 -3.9770 -3.9770 -2.3162 -2.3162 -2.3156 -2.3156 -1.4927 -1.4927 -1.4922 -1.4922 6.1790 6.1790 6.1794 6.1794 6.8099 6.8099 6.8110 6.8110 k = 0.1106 0.5010 0.3701 ( 4052 PWs) bands (ev): -17.6769 -17.6769 -17.6769 -17.6769 -9.1292 -9.1292 -9.1286 -9.1286 -7.5420 -7.5420 -7.5399 -7.5399 -6.8256 -6.8256 -6.8237 -6.8237 -3.9675 -3.9675 -3.9669 -3.9669 -2.3170 -2.3170 -2.3162 -2.3162 -1.5003 -1.5003 -1.4997 -1.4997 6.2116 6.2116 6.2120 6.2120 6.7547 6.7547 6.7558 6.7558 k = 0.1244 0.5010 0.3701 ( 4054 PWs) bands (ev): -17.6757 -17.6757 -17.6757 -17.6757 -9.1281 -9.1281 -9.1275 -9.1275 -7.5560 -7.5560 -7.5536 -7.5536 -6.8246 -6.8246 -6.8226 -6.8226 -3.9566 -3.9566 -3.9560 -3.9560 -2.3176 -2.3176 -2.3168 -2.3168 -1.5086 -1.5086 -1.5080 -1.5080 6.2467 6.2467 6.2473 6.2473 6.7011 6.7011 6.7022 6.7022 k = 0.1383 0.5010 0.3701 ( 4056 PWs) bands (ev): -17.6744 -17.6744 -17.6744 -17.6744 -9.1269 -9.1269 -9.1263 -9.1263 -7.5707 -7.5707 -7.5682 -7.5682 -6.8238 -6.8238 -6.8217 -6.8217 -3.9451 -3.9451 -3.9444 -3.9444 -2.3181 -2.3181 -2.3172 -2.3172 -1.5175 -1.5175 -1.5168 -1.5168 6.2829 6.2829 6.2836 6.2836 6.6508 6.6508 6.6518 6.6518 k = 0.1521 0.5010 0.3701 ( 4054 PWs) bands (ev): -17.6729 -17.6729 -17.6729 -17.6729 -9.1258 -9.1258 -9.1250 -9.1250 -7.5861 -7.5861 -7.5834 -7.5834 -6.8232 -6.8232 -6.8211 -6.8211 -3.9330 -3.9330 -3.9323 -3.9323 -2.3183 -2.3183 -2.3174 -2.3174 -1.5269 -1.5269 -1.5262 -1.5262 6.3168 6.3168 6.3176 6.3176 6.6070 6.6070 6.6080 6.6080 k = 0.1659 0.5010 0.3701 ( 4058 PWs) bands (ev): -17.6714 -17.6714 -17.6714 -17.6714 -9.1246 -9.1246 -9.1239 -9.1239 -7.6018 -7.6018 -7.5990 -7.5990 -6.8229 -6.8229 -6.8207 -6.8207 -3.9206 -3.9206 -3.9200 -3.9200 -2.3184 -2.3184 -2.3175 -2.3175 -1.5367 -1.5367 -1.5360 -1.5360 6.3411 6.3411 6.3421 6.3421 6.5771 6.5771 6.5780 6.5780 k = 0.1797 0.5010 0.3701 ( 4062 PWs) bands (ev): -17.6698 -17.6698 -17.6698 -17.6698 -9.1236 -9.1236 -9.1228 -9.1228 -7.6178 -7.6178 -7.6148 -7.6148 -6.8228 -6.8228 -6.8206 -6.8206 -3.9081 -3.9081 -3.9074 -3.9074 -2.3181 -2.3181 -2.3171 -2.3171 -1.5469 -1.5469 -1.5461 -1.5461 6.3444 6.3444 6.3455 6.3455 6.5725 6.5725 6.5733 6.5733 k = 0.1936 0.5010 0.3701 ( 4056 PWs) bands (ev): -17.6681 -17.6681 -17.6681 -17.6681 -9.1226 -9.1226 -9.1217 -9.1217 -7.6337 -7.6337 -7.6307 -7.6307 -6.8230 -6.8230 -6.8208 -6.8208 -3.8957 -3.8957 -3.8950 -3.8950 -2.3174 -2.3174 -2.3164 -2.3164 -1.5573 -1.5573 -1.5565 -1.5565 6.3228 6.3228 6.3239 6.3239 6.5971 6.5971 6.5978 6.5978 k = 0.2074 0.5010 0.3701 ( 4054 PWs) bands (ev): -17.6663 -17.6663 -17.6663 -17.6663 -9.1217 -9.1217 -9.1208 -9.1208 -7.6495 -7.6495 -7.6465 -7.6465 -6.8236 -6.8236 -6.8214 -6.8214 -3.8834 -3.8834 -3.8827 -3.8827 -2.3163 -2.3163 -2.3153 -2.3153 -1.5679 -1.5679 -1.5671 -1.5671 6.2853 6.2853 6.2863 6.2863 6.6418 6.6418 6.6425 6.6425 k = 0.2212 0.5010 0.3701 ( 4044 PWs) bands (ev): -17.6645 -17.6645 -17.6645 -17.6645 -9.1209 -9.1209 -9.1200 -9.1200 -7.6650 -7.6650 -7.6619 -7.6619 -6.8245 -6.8245 -6.8223 -6.8223 -3.8715 -3.8715 -3.8707 -3.8707 -2.3147 -2.3147 -2.3137 -2.3137 -1.5785 -1.5785 -1.5777 -1.5777 6.2406 6.2406 6.2416 6.2416 6.6978 6.6978 6.6985 6.6985 k = 0.2350 0.5010 0.3701 ( 4044 PWs) bands (ev): -17.6627 -17.6627 -17.6627 -17.6627 -9.1203 -9.1203 -9.1194 -9.1194 -7.6800 -7.6800 -7.6769 -7.6769 -6.8257 -6.8257 -6.8235 -6.8235 -3.8600 -3.8600 -3.8593 -3.8593 -2.3126 -2.3126 -2.3116 -2.3116 -1.5892 -1.5892 -1.5883 -1.5883 6.1933 6.1933 6.1942 6.1942 6.7606 6.7606 6.7613 6.7613 k = 0.2489 0.5010 0.3701 ( 4034 PWs) bands (ev): -17.6609 -17.6609 -17.6608 -17.6608 -9.1199 -9.1199 -9.1189 -9.1189 -7.6945 -7.6945 -7.6914 -7.6914 -6.8273 -6.8273 -6.8250 -6.8250 -3.8491 -3.8491 -3.8484 -3.8484 -2.3100 -2.3100 -2.3090 -2.3090 -1.5999 -1.5999 -1.5989 -1.5989 6.1452 6.1452 6.1461 6.1461 6.8280 6.8280 6.8289 6.8289 k = 0.2627 0.5010 0.3701 ( 4036 PWs) bands (ev): -17.6590 -17.6590 -17.6590 -17.6590 -9.1196 -9.1196 -9.1186 -9.1186 -7.7083 -7.7083 -7.7052 -7.7052 -6.8291 -6.8291 -6.8269 -6.8269 -3.8389 -3.8389 -3.8382 -3.8382 -2.3068 -2.3068 -2.3058 -2.3058 -1.6104 -1.6104 -1.6095 -1.6095 6.0975 6.0975 6.0983 6.0983 6.8990 6.8990 6.8999 6.8999 k = 0.2765 0.5010 0.3701 ( 4042 PWs) bands (ev): -17.6572 -17.6572 -17.6572 -17.6572 -9.1196 -9.1196 -9.1186 -9.1186 -7.7214 -7.7214 -7.7184 -7.7184 -6.8312 -6.8312 -6.8290 -6.8290 -3.8295 -3.8295 -3.8288 -3.8288 -2.3030 -2.3030 -2.3021 -2.3021 -1.6208 -1.6208 -1.6198 -1.6198 6.0508 6.0508 6.0516 6.0516 6.9727 6.9727 6.9737 6.9737 k = 0.2903 0.5010 0.3701 ( 4032 PWs) bands (ev): -17.6554 -17.6554 -17.6554 -17.6554 -9.1197 -9.1197 -9.1187 -9.1187 -7.7336 -7.7336 -7.7306 -7.7306 -6.8335 -6.8335 -6.8314 -6.8314 -3.8208 -3.8208 -3.8202 -3.8202 -2.2987 -2.2987 -2.2978 -2.2978 -1.6310 -1.6310 -1.6300 -1.6300 6.0057 6.0057 6.0064 6.0064 7.0486 7.0486 7.0496 7.0496 k = 0.3042 0.5010 0.3701 ( 4036 PWs) bands (ev): -17.6536 -17.6536 -17.6536 -17.6536 -9.1200 -9.1200 -9.1190 -9.1190 -7.7450 -7.7450 -7.7420 -7.7420 -6.8360 -6.8360 -6.8340 -6.8340 -3.8130 -3.8130 -3.8124 -3.8124 -2.2939 -2.2939 -2.2930 -2.2930 -1.6409 -1.6409 -1.6399 -1.6399 5.9623 5.9623 5.9629 5.9629 7.1260 7.1260 7.1271 7.1271 k = 0.3180 0.5010 0.3701 ( 4036 PWs) bands (ev): -17.6519 -17.6519 -17.6519 -17.6519 -9.1204 -9.1204 -9.1195 -9.1195 -7.7554 -7.7554 -7.7526 -7.7526 -6.8387 -6.8387 -6.8368 -6.8368 -3.8061 -3.8061 -3.8054 -3.8054 -2.2886 -2.2886 -2.2878 -2.2878 -1.6505 -1.6505 -1.6495 -1.6495 5.9209 5.9209 5.9215 5.9215 7.2044 7.2044 7.2056 7.2056 k = 0.3318 0.5010 0.3701 ( 4040 PWs) bands (ev): -17.6503 -17.6503 -17.6503 -17.6503 -9.1210 -9.1210 -9.1201 -9.1201 -7.7649 -7.7649 -7.7622 -7.7622 -6.8415 -6.8415 -6.8396 -6.8396 -3.8000 -3.8000 -3.7993 -3.7993 -2.2830 -2.2830 -2.2821 -2.2821 -1.6599 -1.6599 -1.6588 -1.6588 5.8818 5.8818 5.8824 5.8824 7.2833 7.2833 7.2846 7.2846 k = 0.3456 0.5010 0.3701 ( 4044 PWs) bands (ev): -17.6487 -17.6487 -17.6487 -17.6487 -9.1218 -9.1218 -9.1209 -9.1209 -7.7735 -7.7735 -7.7708 -7.7708 -6.8443 -6.8443 -6.8425 -6.8425 -3.7946 -3.7946 -3.7941 -3.7941 -2.2770 -2.2770 -2.2762 -2.2762 -1.6688 -1.6688 -1.6678 -1.6678 5.8451 5.8451 5.8457 5.8457 7.3621 7.3621 7.3635 7.3635 k = 0.3595 0.5010 0.3701 ( 4034 PWs) bands (ev): -17.6472 -17.6472 -17.6472 -17.6472 -9.1226 -9.1226 -9.1217 -9.1217 -7.7811 -7.7811 -7.7786 -7.7786 -6.8471 -6.8471 -6.8454 -6.8454 -3.7901 -3.7901 -3.7895 -3.7895 -2.2708 -2.2708 -2.2701 -2.2701 -1.6773 -1.6773 -1.6763 -1.6763 5.8110 5.8110 5.8116 5.8116 7.4400 7.4400 7.4415 7.4415 k = 0.3733 0.5010 0.3701 ( 4038 PWs) bands (ev): -17.6459 -17.6459 -17.6459 -17.6459 -9.1234 -9.1234 -9.1226 -9.1226 -7.7878 -7.7878 -7.7854 -7.7854 -6.8499 -6.8499 -6.8483 -6.8483 -3.7863 -3.7863 -3.7857 -3.7857 -2.2646 -2.2646 -2.2638 -2.2638 -1.6855 -1.6855 -1.6845 -1.6845 5.7797 5.7797 5.7802 5.7802 7.5163 7.5163 7.5178 7.5178 k = 0.3871 0.5010 0.3701 ( 4038 PWs) bands (ev): -17.6446 -17.6446 -17.6446 -17.6446 -9.1243 -9.1243 -9.1236 -9.1236 -7.7936 -7.7936 -7.7914 -7.7914 -6.8526 -6.8526 -6.8511 -6.8511 -3.7831 -3.7831 -3.7826 -3.7826 -2.2583 -2.2583 -2.2576 -2.2576 -1.6931 -1.6931 -1.6922 -1.6922 5.7513 5.7513 5.7517 5.7517 7.5900 7.5900 7.5916 7.5916 k = 0.4009 0.5010 0.3701 ( 4034 PWs) bands (ev): -17.6435 -17.6435 -17.6435 -17.6435 -9.1252 -9.1252 -9.1245 -9.1245 -7.7985 -7.7985 -7.7965 -7.7965 -6.8551 -6.8551 -6.8537 -6.8537 -3.7805 -3.7805 -3.7801 -3.7801 -2.2521 -2.2521 -2.2515 -2.2515 -1.7002 -1.7002 -1.6993 -1.6993 5.7258 5.7258 5.7262 5.7262 7.6602 7.6602 7.6619 7.6619 k = 0.4148 0.5010 0.3701 ( 4026 PWs) bands (ev): -17.6425 -17.6425 -17.6425 -17.6425 -9.1261 -9.1261 -9.1254 -9.1254 -7.8027 -7.8027 -7.8008 -7.8008 -6.8574 -6.8574 -6.8561 -6.8561 -3.7785 -3.7785 -3.7781 -3.7781 -2.2462 -2.2462 -2.2456 -2.2456 -1.7067 -1.7067 -1.7059 -1.7059 5.7035 5.7035 5.7038 5.7038 7.7255 7.7255 7.7273 7.7273 k = 0.4286 0.5010 0.3701 ( 4028 PWs) bands (ev): -17.6416 -17.6416 -17.6416 -17.6416 -9.1268 -9.1268 -9.1263 -9.1263 -7.8060 -7.8060 -7.8044 -7.8044 -6.8594 -6.8594 -6.8583 -6.8583 -3.7770 -3.7770 -3.7766 -3.7766 -2.2407 -2.2407 -2.2401 -2.2401 -1.7127 -1.7127 -1.7119 -1.7119 5.6843 5.6843 5.6846 5.6846 7.7848 7.7848 7.7865 7.7865 k = 0.4424 0.5010 0.3701 ( 4030 PWs) bands (ev): -17.6409 -17.6409 -17.6409 -17.6409 -9.1275 -9.1275 -9.1270 -9.1270 -7.8087 -7.8087 -7.8072 -7.8072 -6.8612 -6.8612 -6.8602 -6.8602 -3.7759 -3.7759 -3.7756 -3.7756 -2.2356 -2.2356 -2.2351 -2.2351 -1.7180 -1.7180 -1.7173 -1.7173 5.6683 5.6683 5.6686 5.6686 7.8365 7.8365 7.8382 7.8382 k = 0.4562 0.5010 0.3701 ( 4034 PWs) bands (ev): -17.6403 -17.6403 -17.6403 -17.6403 -9.1280 -9.1280 -9.1276 -9.1276 -7.8106 -7.8106 -7.8094 -7.8094 -6.8626 -6.8626 -6.8618 -6.8618 -3.7752 -3.7752 -3.7749 -3.7749 -2.2311 -2.2311 -2.2307 -2.2307 -1.7226 -1.7226 -1.7220 -1.7220 5.6557 5.6557 5.6559 5.6559 7.8790 7.8790 7.8806 7.8806 k = 0.4701 0.5010 0.3701 ( 4024 PWs) bands (ev): -17.6399 -17.6399 -17.6399 -17.6399 -9.1284 -9.1284 -9.1280 -9.1280 -7.8119 -7.8119 -7.8108 -7.8108 -6.8636 -6.8636 -6.8630 -6.8630 -3.7747 -3.7747 -3.7745 -3.7745 -2.2273 -2.2273 -2.2270 -2.2270 -1.7264 -1.7264 -1.7259 -1.7259 5.6464 5.6464 5.6466 5.6466 7.9108 7.9108 7.9122 7.9122 k = 0.4701 0.5010 0.3701 ( 4024 PWs) bands (ev): -17.6399 -17.6399 -17.6399 -17.6399 -9.1284 -9.1284 -9.1280 -9.1280 -7.8119 -7.8119 -7.8108 -7.8108 -6.8636 -6.8636 -6.8630 -6.8630 -3.7747 -3.7747 -3.7745 -3.7745 -2.2273 -2.2273 -2.2270 -2.2270 -1.7264 -1.7264 -1.7259 -1.7259 5.6464 5.6464 5.6466 5.6466 7.9108 7.9108 7.9122 7.9122 k = 0.4607 0.4910 0.3701 ( 4020 PWs) bands (ev): -17.6405 -17.6405 -17.6405 -17.6405 -9.1279 -9.1279 -9.1274 -9.1274 -7.8102 -7.8102 -7.8089 -7.8089 -6.8622 -6.8622 -6.8613 -6.8613 -3.7751 -3.7751 -3.7749 -3.7749 -2.2330 -2.2330 -2.2325 -2.2325 -1.7207 -1.7207 -1.7200 -1.7200 5.6591 5.6591 5.6594 5.6594 7.8687 7.8687 7.8704 7.8704 k = 0.4513 0.4810 0.3701 ( 4028 PWs) bands (ev): -17.6412 -17.6412 -17.6412 -17.6412 -9.1273 -9.1273 -9.1267 -9.1267 -7.8081 -7.8081 -7.8064 -7.8064 -6.8604 -6.8604 -6.8593 -6.8593 -3.7757 -3.7757 -3.7753 -3.7753 -2.2399 -2.2399 -2.2394 -2.2394 -1.7136 -1.7136 -1.7128 -1.7128 5.6752 5.6752 5.6755 5.6755 7.8191 7.8191 7.8209 7.8209 k = 0.4419 0.4710 0.3701 ( 4026 PWs) bands (ev): -17.6420 -17.6420 -17.6420 -17.6420 -9.1264 -9.1264 -9.1258 -9.1258 -7.8055 -7.8055 -7.8035 -7.8035 -6.8582 -6.8582 -6.8569 -6.8569 -3.7763 -3.7763 -3.7759 -3.7759 -2.2480 -2.2480 -2.2473 -2.2473 -1.7053 -1.7053 -1.7044 -1.7044 5.6945 5.6945 5.6948 5.6948 7.7635 7.7635 7.7654 7.7654 k = 0.4325 0.4609 0.3701 ( 4026 PWs) bands (ev): -17.6429 -17.6429 -17.6429 -17.6429 -9.1254 -9.1254 -9.1246 -9.1246 -7.8023 -7.8023 -7.8001 -7.8001 -6.8559 -6.8559 -6.8544 -6.8544 -3.7771 -3.7771 -3.7766 -3.7766 -2.2569 -2.2569 -2.2562 -2.2562 -1.6959 -1.6959 -1.6950 -1.6950 5.7168 5.7168 5.7172 5.7172 7.7032 7.7032 7.7052 7.7052 k = 0.4231 0.4509 0.3701 ( 4030 PWs) bands (ev): -17.6441 -17.6441 -17.6440 -17.6440 -9.1242 -9.1242 -9.1233 -9.1233 -7.7986 -7.7986 -7.7961 -7.7961 -6.8533 -6.8533 -6.8516 -6.8516 -3.7780 -3.7780 -3.7775 -3.7775 -2.2666 -2.2666 -2.2658 -2.2658 -1.6857 -1.6857 -1.6846 -1.6846 5.7420 5.7420 5.7424 5.7424 7.6393 7.6393 7.6414 7.6414 k = 0.4136 0.4409 0.3701 ( 4038 PWs) bands (ev): -17.6453 -17.6453 -17.6453 -17.6453 -9.1227 -9.1227 -9.1218 -9.1218 -7.7944 -7.7944 -7.7916 -7.7916 -6.8507 -6.8507 -6.8488 -6.8488 -3.7790 -3.7790 -3.7785 -3.7785 -2.2768 -2.2768 -2.2760 -2.2760 -1.6746 -1.6746 -1.6734 -1.6734 5.7699 5.7699 5.7703 5.7703 7.5726 7.5726 7.5747 7.5747 k = 0.4042 0.4309 0.3701 ( 4038 PWs) bands (ev): -17.6467 -17.6467 -17.6467 -17.6467 -9.1210 -9.1210 -9.1199 -9.1199 -7.7897 -7.7897 -7.7866 -7.7866 -6.8480 -6.8480 -6.8460 -6.8460 -3.7803 -3.7803 -3.7796 -3.7796 -2.2875 -2.2875 -2.2866 -2.2866 -1.6629 -1.6629 -1.6616 -1.6616 5.8001 5.8001 5.8006 5.8006 7.5038 7.5038 7.5058 7.5058 k = 0.3948 0.4209 0.3701 ( 4038 PWs) bands (ev): -17.6481 -17.6481 -17.6481 -17.6481 -9.1190 -9.1190 -9.1178 -9.1178 -7.7844 -7.7844 -7.7811 -7.7811 -6.8453 -6.8453 -6.8432 -6.8432 -3.7816 -3.7816 -3.7810 -3.7810 -2.2984 -2.2984 -2.2975 -2.2975 -1.6506 -1.6506 -1.6493 -1.6493 5.8325 5.8325 5.8331 5.8331 7.4334 7.4334 7.4354 7.4354 k = 0.3854 0.4108 0.3701 ( 4026 PWs) bands (ev): -17.6497 -17.6497 -17.6497 -17.6497 -9.1166 -9.1166 -9.1154 -9.1154 -7.7785 -7.7785 -7.7750 -7.7750 -6.8428 -6.8428 -6.8405 -6.8405 -3.7832 -3.7832 -3.7824 -3.7824 -2.3094 -2.3094 -2.3085 -2.3085 -1.6379 -1.6379 -1.6366 -1.6366 5.8668 5.8668 5.8673 5.8673 7.3620 7.3620 7.3639 7.3639 k = 0.3760 0.4008 0.3701 ( 4034 PWs) bands (ev): -17.6515 -17.6515 -17.6515 -17.6515 -9.1139 -9.1139 -9.1126 -9.1126 -7.7722 -7.7722 -7.7684 -7.7684 -6.8406 -6.8406 -6.8381 -6.8381 -3.7849 -3.7849 -3.7842 -3.7842 -2.3204 -2.3204 -2.3195 -2.3195 -1.6249 -1.6249 -1.6235 -1.6235 5.9024 5.9024 5.9030 5.9030 7.2898 7.2898 7.2917 7.2917 k = 0.3666 0.3908 0.3701 ( 4038 PWs) bands (ev): -17.6533 -17.6533 -17.6533 -17.6533 -9.1108 -9.1108 -9.1095 -9.1095 -7.7653 -7.7653 -7.7613 -7.7613 -6.8386 -6.8386 -6.8360 -6.8360 -3.7868 -3.7868 -3.7860 -3.7860 -2.3313 -2.3313 -2.3303 -2.3303 -1.6117 -1.6117 -1.6103 -1.6103 5.9390 5.9390 5.9396 5.9396 7.2175 7.2175 7.2193 7.2193 k = 0.3572 0.3808 0.3701 ( 4042 PWs) bands (ev): -17.6553 -17.6553 -17.6553 -17.6553 -9.1074 -9.1074 -9.1060 -9.1060 -7.7578 -7.7578 -7.7537 -7.7537 -6.8370 -6.8370 -6.8342 -6.8342 -3.7890 -3.7890 -3.7881 -3.7881 -2.3418 -2.3418 -2.3409 -2.3409 -1.5983 -1.5983 -1.5969 -1.5969 5.9760 5.9760 5.9766 5.9766 7.1455 7.1455 7.1472 7.1472 k = 0.3478 0.3708 0.3701 ( 4046 PWs) bands (ev): -17.6573 -17.6573 -17.6573 -17.6573 -9.1035 -9.1035 -9.1020 -9.1020 -7.7499 -7.7499 -7.7455 -7.7455 -6.8359 -6.8359 -6.8330 -6.8330 -3.7913 -3.7913 -3.7904 -3.7904 -2.3521 -2.3521 -2.3511 -2.3511 -1.5849 -1.5849 -1.5835 -1.5835 6.0126 6.0126 6.0133 6.0133 7.0744 7.0744 7.0760 7.0760 k = 0.3384 0.3607 0.3701 ( 4040 PWs) bands (ev): -17.6594 -17.6594 -17.6594 -17.6594 -9.0991 -9.0991 -9.0976 -9.0976 -7.7414 -7.7414 -7.7369 -7.7369 -6.8353 -6.8353 -6.8323 -6.8323 -3.7938 -3.7938 -3.7929 -3.7929 -2.3618 -2.3618 -2.3608 -2.3608 -1.5716 -1.5716 -1.5702 -1.5702 6.0481 6.0481 6.0488 6.0488 7.0048 7.0048 7.0063 7.0063 k = 0.3290 0.3507 0.3701 ( 4040 PWs) bands (ev): -17.6617 -17.6617 -17.6617 -17.6617 -9.0943 -9.0943 -9.0928 -9.0928 -7.7324 -7.7324 -7.7278 -7.7278 -6.8353 -6.8353 -6.8322 -6.8322 -3.7965 -3.7965 -3.7956 -3.7956 -2.3711 -2.3711 -2.3701 -2.3701 -1.5583 -1.5583 -1.5569 -1.5569 6.0813 6.0813 6.0820 6.0820 6.9377 6.9377 6.9392 6.9392 k = 0.3196 0.3407 0.3701 ( 4038 PWs) bands (ev): -17.6640 -17.6640 -17.6640 -17.6640 -9.0890 -9.0890 -9.0874 -9.0874 -7.7230 -7.7230 -7.7182 -7.7182 -6.8360 -6.8360 -6.8328 -6.8328 -3.7994 -3.7994 -3.7985 -3.7985 -2.3797 -2.3797 -2.3787 -2.3787 -1.5452 -1.5452 -1.5438 -1.5438 6.1107 6.1107 6.1114 6.1114 6.8745 6.8745 6.8758 6.8758 k = 0.3102 0.3307 0.3701 ( 4038 PWs) bands (ev): -17.6664 -17.6664 -17.6664 -17.6664 -9.0832 -9.0832 -9.0816 -9.0816 -7.7132 -7.7132 -7.7082 -7.7082 -6.8375 -6.8375 -6.8341 -6.8341 -3.8025 -3.8025 -3.8016 -3.8016 -2.3877 -2.3877 -2.3867 -2.3867 -1.5324 -1.5324 -1.5310 -1.5310 6.1344 6.1344 6.1351 6.1351 6.8168 6.8168 6.8180 6.8180 k = 0.3008 0.3207 0.3701 ( 4042 PWs) bands (ev): -17.6688 -17.6688 -17.6688 -17.6688 -9.0768 -9.0768 -9.0752 -9.0752 -7.7029 -7.7029 -7.6979 -7.6979 -6.8397 -6.8397 -6.8363 -6.8363 -3.8057 -3.8057 -3.8048 -3.8048 -2.3950 -2.3950 -2.3940 -2.3940 -1.5199 -1.5199 -1.5185 -1.5185 6.1498 6.1498 6.1505 6.1505 6.7670 6.7670 6.7681 6.7681 k = 0.2914 0.3106 0.3701 ( 4042 PWs) bands (ev): -17.6713 -17.6713 -17.6713 -17.6713 -9.0700 -9.0700 -9.0683 -9.0683 -7.6923 -7.6923 -7.6871 -7.6871 -6.8427 -6.8427 -6.8392 -6.8392 -3.8091 -3.8091 -3.8082 -3.8082 -2.4016 -2.4016 -2.4006 -2.4006 -1.5078 -1.5078 -1.5064 -1.5064 6.1544 6.1544 6.1551 6.1551 6.7276 6.7276 6.7285 6.7285 k = 0.2820 0.3006 0.3701 ( 4038 PWs) bands (ev): -17.6738 -17.6738 -17.6738 -17.6738 -9.0625 -9.0625 -9.0608 -9.0608 -7.6813 -7.6813 -7.6761 -7.6761 -6.8466 -6.8466 -6.8430 -6.8430 -3.8126 -3.8126 -3.8117 -3.8117 -2.4074 -2.4074 -2.4064 -2.4064 -1.4961 -1.4961 -1.4947 -1.4947 6.1457 6.1457 6.1465 6.1465 6.7007 6.7007 6.7014 6.7014 k = 0.2726 0.2906 0.3701 ( 4038 PWs) bands (ev): -17.6764 -17.6764 -17.6764 -17.6764 -9.0546 -9.0546 -9.0529 -9.0529 -7.6701 -7.6701 -7.6647 -7.6647 -6.8514 -6.8514 -6.8477 -6.8477 -3.8163 -3.8163 -3.8153 -3.8153 -2.4124 -2.4124 -2.4114 -2.4114 -1.4849 -1.4849 -1.4835 -1.4835 6.1231 6.1231 6.1239 6.1239 6.6870 6.6870 6.6875 6.6875 k = 0.2632 0.2806 0.3701 ( 4050 PWs) bands (ev): -17.6791 -17.6791 -17.6791 -17.6791 -9.0461 -9.0461 -9.0444 -9.0444 -7.6586 -7.6586 -7.6531 -7.6531 -6.8571 -6.8571 -6.8533 -6.8533 -3.8200 -3.8200 -3.8191 -3.8191 -2.4166 -2.4166 -2.4157 -2.4157 -1.4743 -1.4743 -1.4729 -1.4729 6.0878 6.0878 6.0886 6.0886 6.6850 6.6850 6.6854 6.6854 k = 0.2538 0.2705 0.3701 ( 4050 PWs) bands (ev): -17.6817 -17.6817 -17.6817 -17.6817 -9.0370 -9.0370 -9.0353 -9.0353 -7.6469 -7.6469 -7.6413 -7.6413 -6.8636 -6.8636 -6.8598 -6.8598 -3.8238 -3.8238 -3.8229 -3.8229 -2.4201 -2.4201 -2.4192 -2.4192 -1.4642 -1.4642 -1.4629 -1.4629 6.0425 6.0425 6.0433 6.0433 6.6922 6.6922 6.6924 6.6924 k = 0.2444 0.2605 0.3701 ( 4054 PWs) bands (ev): -17.6843 -17.6843 -17.6843 -17.6843 -9.0274 -9.0274 -9.0257 -9.0257 -7.6350 -7.6350 -7.6294 -7.6294 -6.8711 -6.8711 -6.8672 -6.8672 -3.8277 -3.8277 -3.8267 -3.8267 -2.4227 -2.4227 -2.4218 -2.4218 -1.4549 -1.4549 -1.4535 -1.4535 5.9902 5.9902 5.9910 5.9910 6.7056 6.7056 6.7058 6.7058 k = 0.2350 0.2505 0.3701 ( 4058 PWs) bands (ev): -17.6870 -17.6870 -17.6870 -17.6870 -9.0174 -9.0174 -9.0156 -9.0156 -7.6230 -7.6230 -7.6173 -7.6173 -6.8794 -6.8794 -6.8755 -6.8755 -3.8315 -3.8315 -3.8306 -3.8306 -2.4246 -2.4246 -2.4237 -2.4237 -1.4462 -1.4462 -1.4449 -1.4449 5.9333 5.9333 5.9341 5.9341 6.7228 6.7228 6.7230 6.7230 k = 0.2256 0.2405 0.3701 ( 4038 PWs) bands (ev): -17.6896 -17.6896 -17.6896 -17.6896 -9.0068 -9.0068 -9.0051 -9.0051 -7.6109 -7.6109 -7.6051 -7.6051 -6.8885 -6.8885 -6.8845 -6.8845 -3.8353 -3.8353 -3.8345 -3.8345 -2.4257 -2.4257 -2.4248 -2.4248 -1.4382 -1.4382 -1.4369 -1.4369 5.8738 5.8738 5.8745 5.8745 6.7421 6.7421 6.7424 6.7424 k = 0.2162 0.2305 0.3701 ( 4032 PWs) bands (ev): -17.6923 -17.6923 -17.6922 -17.6922 -8.9957 -8.9957 -8.9940 -8.9940 -7.5988 -7.5988 -7.5930 -7.5930 -6.8984 -6.8984 -6.8943 -6.8943 -3.8392 -3.8392 -3.8383 -3.8383 -2.4261 -2.4261 -2.4252 -2.4252 -1.4310 -1.4310 -1.4297 -1.4297 5.8130 5.8130 5.8137 5.8137 6.7624 6.7624 6.7627 6.7627 k = 0.2068 0.2204 0.3701 ( 4032 PWs) bands (ev): -17.6949 -17.6949 -17.6949 -17.6949 -8.9843 -8.9843 -8.9826 -8.9826 -7.5868 -7.5868 -7.5809 -7.5809 -6.9091 -6.9091 -6.9050 -6.9050 -3.8429 -3.8429 -3.8421 -3.8421 -2.4258 -2.4258 -2.4249 -2.4249 -1.4245 -1.4245 -1.4233 -1.4233 5.7519 5.7519 5.7526 5.7526 6.7829 6.7829 6.7833 6.7833 k = 0.1974 0.2104 0.3701 ( 4026 PWs) bands (ev): -17.6974 -17.6974 -17.6974 -17.6974 -8.9724 -8.9724 -8.9708 -8.9708 -7.5748 -7.5748 -7.5689 -7.5689 -6.9204 -6.9204 -6.9162 -6.9162 -3.8466 -3.8466 -3.8458 -3.8458 -2.4248 -2.4248 -2.4239 -2.4239 -1.4189 -1.4189 -1.4177 -1.4177 5.6912 5.6912 5.6919 5.6919 6.8032 6.8032 6.8036 6.8036 k = 0.1880 0.2004 0.3701 ( 4034 PWs) bands (ev): -17.7000 -17.7000 -17.7000 -17.7000 -8.9603 -8.9603 -8.9587 -8.9587 -7.5630 -7.5630 -7.5571 -7.5571 -6.9324 -6.9324 -6.9281 -6.9281 -3.8502 -3.8502 -3.8494 -3.8494 -2.4232 -2.4232 -2.4223 -2.4223 -1.4141 -1.4141 -1.4129 -1.4129 5.6316 5.6316 5.6323 5.6323 6.8231 6.8231 6.8236 6.8236 k = 0.1786 0.1904 0.3701 ( 4030 PWs) bands (ev): -17.7024 -17.7024 -17.7024 -17.7024 -8.9479 -8.9479 -8.9463 -8.9463 -7.5514 -7.5514 -7.5455 -7.5455 -6.9448 -6.9448 -6.9406 -6.9406 -3.8537 -3.8537 -3.8529 -3.8529 -2.4210 -2.4210 -2.4202 -2.4202 -1.4100 -1.4100 -1.4088 -1.4088 5.5734 5.5734 5.5741 5.5741 6.8425 6.8425 6.8429 6.8429 k = 0.1692 0.1804 0.3701 ( 4030 PWs) bands (ev): -17.7048 -17.7048 -17.7048 -17.7048 -8.9352 -8.9352 -8.9337 -8.9337 -7.5401 -7.5401 -7.5342 -7.5342 -6.9577 -6.9577 -6.9534 -6.9534 -3.8571 -3.8571 -3.8563 -3.8563 -2.4183 -2.4183 -2.4175 -2.4175 -1.4068 -1.4068 -1.4056 -1.4056 5.5171 5.5171 5.5176 5.5176 6.8612 6.8612 6.8617 6.8617 k = 0.1598 0.1703 0.3701 ( 4030 PWs) bands (ev): -17.7072 -17.7072 -17.7072 -17.7072 -8.9225 -8.9225 -8.9210 -8.9210 -7.5290 -7.5290 -7.5232 -7.5232 -6.9709 -6.9709 -6.9666 -6.9666 -3.8603 -3.8603 -3.8595 -3.8595 -2.4151 -2.4151 -2.4143 -2.4143 -1.4042 -1.4042 -1.4031 -1.4031 5.4627 5.4627 5.4633 5.4633 6.8793 6.8793 6.8798 6.8798 k = 0.1504 0.1603 0.3701 ( 4036 PWs) bands (ev): -17.7094 -17.7094 -17.7094 -17.7094 -8.9097 -8.9097 -8.9082 -8.9082 -7.5183 -7.5183 -7.5125 -7.5125 -6.9844 -6.9844 -6.9800 -6.9800 -3.8633 -3.8633 -3.8626 -3.8626 -2.4116 -2.4116 -2.4108 -2.4108 -1.4025 -1.4025 -1.4014 -1.4014 5.4107 5.4107 5.4112 5.4112 6.8967 6.8967 6.8972 6.8972 k = 0.1410 0.1503 0.3701 ( 4034 PWs) bands (ev): -17.7116 -17.7116 -17.7116 -17.7116 -8.8969 -8.8969 -8.8955 -8.8955 -7.5080 -7.5080 -7.5023 -7.5023 -6.9979 -6.9979 -6.9935 -6.9935 -3.8662 -3.8662 -3.8655 -3.8655 -2.4077 -2.4077 -2.4068 -2.4068 -1.4014 -1.4014 -1.4003 -1.4003 5.3611 5.3611 5.3616 5.3616 6.9136 6.9136 6.9141 6.9141 k = 0.1316 0.1403 0.3701 ( 4028 PWs) bands (ev): -17.7137 -17.7137 -17.7137 -17.7137 -8.8842 -8.8842 -8.8829 -8.8829 -7.4982 -7.4982 -7.4925 -7.4925 -7.0113 -7.0113 -7.0070 -7.0070 -3.8689 -3.8689 -3.8682 -3.8682 -2.4035 -2.4035 -2.4027 -2.4027 -1.4009 -1.4009 -1.3999 -1.3999 5.3142 5.3142 5.3146 5.3146 6.9298 6.9298 6.9303 6.9303 k = 0.1222 0.1303 0.3701 ( 4028 PWs) bands (ev): -17.7156 -17.7156 -17.7156 -17.7156 -8.8718 -8.8718 -8.8705 -8.8705 -7.4888 -7.4888 -7.4832 -7.4832 -7.0246 -7.0246 -7.0204 -7.0204 -3.8714 -3.8714 -3.8707 -3.8707 -2.3991 -2.3991 -2.3983 -2.3983 -1.4009 -1.4009 -1.4000 -1.4000 5.2700 5.2700 5.2704 5.2704 6.9453 6.9453 6.9459 6.9459 k = 0.1128 0.1202 0.3701 ( 4024 PWs) bands (ev): -17.7175 -17.7175 -17.7175 -17.7175 -8.8596 -8.8596 -8.8584 -8.8584 -7.4800 -7.4800 -7.4746 -7.4746 -7.0376 -7.0376 -7.0335 -7.0335 -3.8737 -3.8737 -3.8731 -3.8731 -2.3946 -2.3946 -2.3938 -2.3938 -1.4015 -1.4015 -1.4006 -1.4006 5.2288 5.2288 5.2291 5.2291 6.9602 6.9602 6.9607 6.9607 k = 0.1034 0.1102 0.3701 ( 4030 PWs) bands (ev): -17.7192 -17.7192 -17.7192 -17.7192 -8.8479 -8.8479 -8.8468 -8.8468 -7.4718 -7.4718 -7.4665 -7.4665 -7.0502 -7.0502 -7.0462 -7.0462 -3.8759 -3.8759 -3.8753 -3.8753 -2.3900 -2.3900 -2.3892 -2.3892 -1.4025 -1.4025 -1.4016 -1.4016 5.1905 5.1905 5.1908 5.1908 6.9742 6.9742 6.9748 6.9748 k = 0.0940 0.1002 0.3701 ( 4034 PWs) bands (ev): -17.7208 -17.7208 -17.7208 -17.7208 -8.8367 -8.8367 -8.8356 -8.8356 -7.4642 -7.4642 -7.4591 -7.4591 -7.0623 -7.0623 -7.0583 -7.0583 -3.8778 -3.8778 -3.8773 -3.8773 -2.3855 -2.3855 -2.3847 -2.3847 -1.4038 -1.4038 -1.4030 -1.4030 5.1553 5.1553 5.1556 5.1556 6.9875 6.9875 6.9880 6.9880 k = 0.0846 0.0902 0.3701 ( 4034 PWs) bands (ev): -17.7223 -17.7223 -17.7223 -17.7223 -8.8262 -8.8262 -8.8252 -8.8252 -7.4572 -7.4572 -7.4524 -7.4524 -7.0736 -7.0736 -7.0698 -7.0698 -3.8795 -3.8795 -3.8791 -3.8791 -2.3810 -2.3810 -2.3804 -2.3804 -1.4053 -1.4053 -1.4046 -1.4046 5.1233 5.1233 5.1236 5.1236 6.9998 6.9998 7.0003 7.0003 k = 0.0752 0.0802 0.3701 ( 4026 PWs) bands (ev): -17.7236 -17.7236 -17.7236 -17.7236 -8.8163 -8.8163 -8.8154 -8.8154 -7.4508 -7.4508 -7.4463 -7.4463 -7.0841 -7.0841 -7.0805 -7.0805 -3.8811 -3.8811 -3.8806 -3.8806 -2.3768 -2.3768 -2.3762 -2.3762 -1.4070 -1.4070 -1.4063 -1.4063 5.0945 5.0945 5.0947 5.0947 7.0112 7.0112 7.0116 7.0116 k = 0.0658 0.0701 0.3701 ( 4024 PWs) bands (ev): -17.7248 -17.7248 -17.7248 -17.7248 -8.8074 -8.8074 -8.8066 -8.8066 -7.4452 -7.4452 -7.4411 -7.4411 -7.0936 -7.0936 -7.0903 -7.0903 -3.8824 -3.8824 -3.8821 -3.8821 -2.3728 -2.3728 -2.3722 -2.3722 -1.4087 -1.4087 -1.4081 -1.4081 5.0689 5.0689 5.0692 5.0692 7.0215 7.0215 7.0219 7.0219 k = 0.0564 0.0601 0.3701 ( 4020 PWs) bands (ev): -17.7258 -17.7258 -17.7258 -17.7258 -8.7993 -8.7993 -8.7986 -8.7986 -7.4402 -7.4402 -7.4365 -7.4365 -7.1020 -7.1020 -7.0991 -7.0991 -3.8836 -3.8836 -3.8833 -3.8833 -2.3692 -2.3692 -2.3687 -2.3687 -1.4104 -1.4104 -1.4099 -1.4099 5.0467 5.0467 5.0469 5.0469 7.0306 7.0306 7.0310 7.0310 k = 0.0470 0.0501 0.3701 ( 4016 PWs) bands (ev): -17.7267 -17.7267 -17.7267 -17.7267 -8.7923 -8.7923 -8.7918 -8.7918 -7.4359 -7.4359 -7.4327 -7.4327 -7.1093 -7.1093 -7.1067 -7.1067 -3.8846 -3.8846 -3.8843 -3.8843 -2.3659 -2.3659 -2.3655 -2.3655 -1.4120 -1.4120 -1.4116 -1.4116 5.0279 5.0279 5.0280 5.0280 7.0384 7.0384 7.0388 7.0388 k = 0.0376 0.0401 0.3701 ( 4020 PWs) bands (ev): -17.7274 -17.7274 -17.7274 -17.7274 -8.7865 -8.7865 -8.7860 -8.7860 -7.4324 -7.4324 -7.4297 -7.4297 -7.1153 -7.1153 -7.1131 -7.1131 -3.8854 -3.8854 -3.8852 -3.8852 -2.3632 -2.3632 -2.3629 -2.3629 -1.4135 -1.4135 -1.4131 -1.4131 5.0124 5.0124 5.0125 5.0125 7.0450 7.0450 7.0453 7.0453 k = 0.0282 0.0301 0.3701 ( 4024 PWs) bands (ev): -17.7280 -17.7280 -17.7280 -17.7280 -8.7819 -8.7819 -8.7815 -8.7815 -7.4295 -7.4295 -7.4275 -7.4275 -7.1199 -7.1199 -7.1183 -7.1183 -3.8860 -3.8860 -3.8858 -3.8858 -2.3610 -2.3610 -2.3608 -2.3608 -1.4146 -1.4146 -1.4144 -1.4144 5.0004 5.0004 5.0005 5.0005 7.0502 7.0502 7.0504 7.0504 k = 0.0188 0.0200 0.3701 ( 4026 PWs) bands (ev): -17.7284 -17.7284 -17.7284 -17.7284 -8.7785 -8.7785 -8.7782 -8.7782 -7.4274 -7.4274 -7.4260 -7.4260 -7.1232 -7.1232 -7.1221 -7.1221 -3.8864 -3.8864 -3.8863 -3.8863 -2.3594 -2.3594 -2.3593 -2.3593 -1.4155 -1.4155 -1.4153 -1.4153 4.9918 4.9918 4.9918 4.9918 7.0539 7.0539 7.0541 7.0541 k = 0.0094 0.0100 0.3701 ( 4016 PWs) bands (ev): -17.7287 -17.7287 -17.7287 -17.7287 -8.7764 -8.7764 -8.7763 -8.7763 -7.4259 -7.4259 -7.4252 -7.4252 -7.1251 -7.1251 -7.1245 -7.1245 -3.8867 -3.8867 -3.8866 -3.8866 -2.3584 -2.3584 -2.3583 -2.3583 -1.4160 -1.4160 -1.4159 -1.4159 4.9866 4.9866 4.9866 4.9866 7.0562 7.0562 7.0563 7.0563 k = 0.0000 0.0000 0.3701 ( 4012 PWs) bands (ev): -17.7287 -17.7287 -17.7287 -17.7287 -8.7756 -8.7756 -8.7756 -8.7756 -7.4252 -7.4252 -7.4252 -7.4252 -7.1255 -7.1255 -7.1255 -7.1255 -3.8867 -3.8867 -3.8867 -3.8867 -2.3581 -2.3581 -2.3581 -2.3581 -1.4161 -1.4161 -1.4161 -1.4161 4.9849 4.9849 4.9849 4.9849 7.0570 7.0570 7.0570 7.0570 k = 0.0000 0.0000 0.3701 ( 4012 PWs) bands (ev): -17.7287 -17.7287 -17.7287 -17.7287 -8.7756 -8.7756 -8.7756 -8.7756 -7.4252 -7.4252 -7.4252 -7.4252 -7.1255 -7.1255 -7.1255 -7.1255 -3.8867 -3.8867 -3.8867 -3.8867 -2.3581 -2.3581 -2.3581 -2.3581 -1.4161 -1.4161 -1.4161 -1.4161 4.9849 4.9849 4.9849 4.9849 7.0570 7.0570 7.0570 7.0570 k = 0.0000 0.0000 0.3564 ( 4022 PWs) bands (ev): -17.7365 -17.7365 -17.7209 -17.7209 -8.7914 -8.7914 -8.7601 -8.7601 -7.4347 -7.4347 -7.4157 -7.4157 -7.1317 -7.1317 -7.1181 -7.1181 -3.9440 -3.9440 -3.8305 -3.8305 -2.3889 -2.3889 -2.3269 -2.3269 -1.4626 -1.4626 -1.3696 -1.3696 4.9769 4.9769 4.9941 4.9941 7.0227 7.0227 7.0918 7.0918 k = 0.0000 0.0000 0.3427 ( 4022 PWs) bands (ev): -17.7443 -17.7443 -17.7131 -17.7131 -8.8072 -8.8072 -8.7447 -8.7447 -7.4442 -7.4442 -7.4062 -7.4062 -7.1368 -7.1368 -7.1095 -7.1095 -4.0023 -4.0023 -3.7754 -3.7754 -2.4194 -2.4194 -2.2955 -2.2955 -1.5087 -1.5087 -1.3231 -1.3231 4.9702 4.9702 5.0043 5.0043 6.9891 6.9891 7.1270 7.1270 k = 0.0000 0.0000 0.3290 ( 4014 PWs) bands (ev): -17.7520 -17.7520 -17.7053 -17.7053 -8.8230 -8.8230 -8.7297 -8.7297 -7.4535 -7.4535 -7.3966 -7.3966 -7.1408 -7.1408 -7.0994 -7.0994 -4.0614 -4.0614 -3.7216 -3.7216 -2.4493 -2.4493 -2.2640 -2.2640 -1.5546 -1.5546 -1.2767 -1.2767 4.9651 4.9651 5.0153 5.0153 6.9563 6.9563 7.1622 7.1622 k = 0.0000 0.0000 0.3153 ( 4018 PWs) bands (ev): -17.7596 -17.7596 -17.6977 -17.6977 -8.8388 -8.8388 -8.7150 -8.7150 -7.4627 -7.4627 -7.3872 -7.3872 -7.1438 -7.1438 -7.0880 -7.0880 -4.1212 -4.1212 -3.6691 -3.6691 -2.4786 -2.4786 -2.2325 -2.2325 -1.6000 -1.6000 -1.2305 -1.2305 4.9617 4.9617 5.0269 5.0269 6.9244 6.9244 7.1972 7.1972 k = 0.0000 0.0000 0.3016 ( 4020 PWs) bands (ev): -17.7670 -17.7670 -17.6900 -17.6900 -8.8544 -8.8544 -8.7008 -8.7008 -7.4718 -7.4718 -7.3778 -7.3778 -7.1460 -7.1460 -7.0751 -7.0751 -4.1816 -4.1816 -3.6180 -3.6180 -2.5073 -2.5073 -2.2011 -2.2011 -1.6449 -1.6449 -1.1848 -1.1848 4.9601 4.9601 5.0389 5.0389 6.8936 6.8936 7.2317 7.2317 k = 0.0000 0.0000 0.2879 ( 4020 PWs) bands (ev): -17.7743 -17.7743 -17.6825 -17.6825 -8.8697 -8.8697 -8.6871 -8.6871 -7.4807 -7.4807 -7.3686 -7.3686 -7.1474 -7.1474 -7.0608 -7.0608 -4.2424 -4.2424 -3.5683 -3.5683 -2.5352 -2.5352 -2.1699 -2.1699 -1.6891 -1.6891 -1.1396 -1.1396 4.9604 4.9604 5.0511 5.0511 6.8638 6.8638 7.2652 7.2652 k = 0.0000 0.0000 0.2742 ( 4024 PWs) bands (ev): -17.7815 -17.7815 -17.6752 -17.6752 -8.8848 -8.8848 -8.6740 -8.6740 -7.4893 -7.4893 -7.3595 -7.3595 -7.1482 -7.1482 -7.0450 -7.0450 -4.3035 -4.3035 -3.5201 -3.5201 -2.5623 -2.5623 -2.1390 -2.1390 -1.7327 -1.7327 -1.0951 -1.0951 4.9626 4.9626 5.0634 5.0634 6.8352 6.8352 7.2970 7.2970 k = 0.0000 0.0000 0.2605 ( 4028 PWs) bands (ev): -17.7885 -17.7885 -17.6680 -17.6680 -8.8995 -8.8995 -8.6615 -8.6615 -7.4978 -7.4978 -7.3507 -7.3507 -7.1483 -7.1483 -7.0278 -7.0278 -4.3648 -4.3648 -3.4734 -3.4734 -2.5885 -2.5885 -2.1086 -2.1086 -1.7754 -1.7754 -1.0515 -1.0515 4.9669 4.9669 5.0754 5.0754 6.8078 6.8078 7.3266 7.3266 k = 0.0000 0.0000 0.2468 ( 4038 PWs) bands (ev): -17.7952 -17.7952 -17.6610 -17.6610 -8.9138 -8.9138 -8.6497 -8.6497 -7.5059 -7.5059 -7.3421 -7.3421 -7.1479 -7.1479 -7.0091 -7.0091 -4.4259 -4.4259 -3.4283 -3.4283 -2.6138 -2.6138 -2.0787 -2.0787 -1.8173 -1.8173 -1.0089 -1.0089 4.9731 4.9731 5.0872 5.0872 6.7817 6.7817 7.3529 7.3529 k = 0.0000 0.0000 0.2330 ( 4030 PWs) bands (ev): -17.8017 -17.8017 -17.6542 -17.6542 -8.9276 -8.9276 -8.6385 -8.6385 -7.5138 -7.5138 -7.3337 -7.3337 -7.1471 -7.1471 -6.9890 -6.9890 -4.4867 -4.4867 -3.3848 -3.3848 -2.6381 -2.6381 -2.0494 -2.0494 -1.8582 -1.8582 -0.9674 -0.9674 4.9814 4.9814 5.0985 5.0985 6.7569 6.7569 7.3747 7.3747 k = 0.0000 0.0000 0.2193 ( 4026 PWs) bands (ev): -17.8080 -17.8080 -17.6477 -17.6477 -8.9408 -8.9408 -8.6280 -8.6280 -7.5213 -7.5213 -7.3256 -7.3256 -7.1459 -7.1459 -6.9676 -6.9676 -4.5471 -4.5471 -3.3428 -3.3428 -2.6613 -2.6613 -2.0210 -2.0210 -1.8981 -1.8981 -0.9272 -0.9272 4.9915 4.9915 5.1093 5.1093 6.7334 6.7334 7.3907 7.3907 k = 0.0000 0.0000 0.2056 ( 4020 PWs) bands (ev): -17.8140 -17.8140 -17.6414 -17.6414 -8.9535 -8.9535 -8.6183 -8.6183 -7.5285 -7.5285 -7.3178 -7.3178 -7.1445 -7.1445 -6.9451 -6.9451 -4.6066 -4.6066 -3.3025 -3.3025 -2.6833 -2.6833 -1.9935 -1.9935 -1.9369 -1.9369 -0.8885 -0.8885 5.0034 5.0034 5.1194 5.1194 6.7113 6.7113 7.3993 7.3993 k = 0.0000 0.0000 0.1919 ( 4022 PWs) bands (ev): -17.8197 -17.8197 -17.6354 -17.6354 -8.9655 -8.9655 -8.6093 -8.6093 -7.5353 -7.5353 -7.3104 -7.3104 -7.1428 -7.1428 -6.9216 -6.9216 -4.6652 -4.6652 -3.2638 -3.2638 -2.7042 -2.7042 -1.9745 -1.9745 -1.9671 -1.9671 -0.8514 -0.8514 5.0169 5.0169 5.1288 5.1288 6.6906 6.6906 7.3993 7.3993 k = 0.0000 0.0000 0.1782 ( 4008 PWs) bands (ev): -17.8250 -17.8250 -17.6297 -17.6297 -8.9769 -8.9769 -8.6010 -8.6010 -7.5418 -7.5418 -7.3034 -7.3034 -7.1410 -7.1410 -6.8972 -6.8972 -4.7225 -4.7225 -3.2267 -3.2267 -2.7238 -2.7238 -2.0108 -2.0108 -1.9419 -1.9419 -0.8160 -0.8160 5.0319 5.0319 5.1374 5.1374 6.6713 6.6713 7.3904 7.3904 k = 0.0000 0.0000 0.1645 ( 4000 PWs) bands (ev): -17.8301 -17.8301 -17.6244 -17.6244 -8.9875 -8.9875 -8.5935 -8.5935 -7.5478 -7.5478 -7.2967 -7.2967 -7.1391 -7.1391 -6.8723 -6.8723 -4.7782 -4.7782 -3.1914 -3.1914 -2.7421 -2.7421 -2.0458 -2.0458 -1.9179 -1.9179 -0.7826 -0.7826 5.0481 5.0481 5.1452 5.1452 6.6534 6.6534 7.3733 7.3733 k = 0.0000 0.0000 0.1508 ( 4008 PWs) bands (ev): -17.8348 -17.8348 -17.6194 -17.6194 -8.9975 -8.9975 -8.5867 -8.5867 -7.5535 -7.5535 -7.2905 -7.2905 -7.1371 -7.1371 -6.8470 -6.8470 -4.8320 -4.8320 -3.1579 -3.1579 -2.7592 -2.7592 -2.0793 -2.0793 -1.8953 -1.8953 -0.7513 -0.7513 5.0652 5.0652 5.1522 5.1522 6.6369 6.6369 7.3499 7.3499 k = 0.0000 0.0000 0.1371 ( 4012 PWs) bands (ev): -17.8391 -17.8391 -17.6148 -17.6148 -9.0066 -9.0066 -8.5806 -8.5806 -7.5587 -7.5587 -7.2848 -7.2848 -7.1352 -7.1352 -6.8217 -6.8217 -4.8835 -4.8835 -3.1263 -3.1263 -2.7749 -2.7749 -2.1112 -2.1112 -1.8743 -1.8743 -0.7221 -0.7221 5.0828 5.0828 5.1584 5.1584 6.6219 6.6219 7.3223 7.3223 k = 0.0000 0.0000 0.1234 ( 4016 PWs) bands (ev): -17.8431 -17.8431 -17.6106 -17.6106 -9.0150 -9.0150 -8.5752 -8.5752 -7.5635 -7.5635 -7.2795 -7.2795 -7.1333 -7.1333 -6.7968 -6.7968 -4.9323 -4.9323 -3.0966 -3.0966 -2.7891 -2.7891 -2.1414 -2.1414 -1.8550 -1.8550 -0.6953 -0.6953 5.1007 5.1007 5.1638 5.1638 6.6083 6.6083 7.2928 7.2928 k = 0.0000 0.0000 0.1097 ( 4012 PWs) bands (ev): -17.8467 -17.8467 -17.6067 -17.6067 -9.0225 -9.0225 -8.5705 -8.5705 -7.5678 -7.5678 -7.2747 -7.2747 -7.1315 -7.1315 -6.7726 -6.7726 -4.9779 -4.9779 -3.0690 -3.0690 -2.8020 -2.8020 -2.1695 -2.1695 -1.8373 -1.8373 -0.6710 -0.6710 5.1184 5.1184 5.1685 5.1685 6.5961 6.5961 7.2630 7.2630 k = 0.0000 0.0000 0.0960 ( 4014 PWs) bands (ev): -17.8499 -17.8499 -17.6033 -17.6033 -9.0292 -9.0292 -8.5664 -8.5664 -7.5716 -7.5716 -7.2704 -7.2704 -7.1299 -7.1299 -6.7495 -6.7495 -5.0200 -5.0200 -3.0437 -3.0437 -2.8134 -2.8134 -2.1954 -2.1954 -1.8215 -1.8215 -0.6492 -0.6492 5.1354 5.1354 5.1725 5.1725 6.5854 6.5854 7.2345 7.2345 k = 0.0000 0.0000 0.0823 ( 4014 PWs) bands (ev): -17.8527 -17.8527 -17.6003 -17.6003 -9.0350 -9.0350 -8.5628 -8.5628 -7.5749 -7.5749 -7.2667 -7.2667 -7.1284 -7.1284 -6.7281 -6.7281 -5.0579 -5.0579 -3.0208 -3.0208 -2.8234 -2.8234 -2.2189 -2.2189 -1.8076 -1.8076 -0.6302 -0.6302 5.1515 5.1515 5.1758 5.1758 6.5761 6.5761 7.2083 7.2083 k = 0.0000 0.0000 0.0685 ( 4018 PWs) bands (ev): -17.8551 -17.8551 -17.5978 -17.5978 -9.0400 -9.0400 -8.5599 -8.5599 -7.5778 -7.5778 -7.2635 -7.2635 -7.1271 -7.1271 -6.7088 -6.7088 -5.0912 -5.0912 -3.0007 -3.0007 -2.8318 -2.8318 -2.2397 -2.2397 -1.7957 -1.7957 -0.6139 -0.6139 5.1659 5.1659 5.1786 5.1786 6.5682 6.5682 7.1851 7.1851 k = 0.0000 0.0000 0.0548 ( 4013 PWs) bands (ev): -17.8570 -17.8570 -17.5957 -17.5957 -9.0440 -9.0440 -8.5575 -8.5575 -7.5801 -7.5801 -7.2609 -7.2609 -7.1260 -7.1260 -6.6922 -6.6922 -5.1193 -5.1193 -2.9836 -2.9836 -2.8387 -2.8387 -2.2573 -2.2573 -1.7858 -1.7858 -0.6004 -0.6004 5.1784 5.1784 5.1809 5.1809 6.5618 6.5618 7.1655 7.1655 k = 0.0000 0.0000 0.0411 ( 4007 PWs) bands (ev): -17.8585 -17.8585 -17.5940 -17.5940 -9.0472 -9.0472 -8.5557 -8.5557 -7.5819 -7.5819 -7.2588 -7.2588 -7.1251 -7.1251 -6.6786 -6.6786 -5.1418 -5.1418 -2.9699 -2.9699 -2.8442 -2.8442 -2.2715 -2.2715 -1.7781 -1.7781 -0.5898 -0.5898 5.1822 5.1822 5.1889 5.1889 6.5568 6.5568 7.1499 7.1499 k = 0.0000 0.0000 0.0274 ( 4001 PWs) bands (ev): -17.8596 -17.8596 -17.5929 -17.5929 -9.0495 -9.0495 -8.5544 -8.5544 -7.5832 -7.5832 -7.2573 -7.2573 -7.1245 -7.1245 -6.6686 -6.6686 -5.1582 -5.1582 -2.9598 -2.9598 -2.8480 -2.8480 -2.2819 -2.2819 -1.7725 -1.7725 -0.5823 -0.5823 5.1834 5.1834 5.1964 5.1964 6.5532 6.5532 7.1386 7.1386 k = 0.0000 0.0000 0.0137 ( 3997 PWs) bands (ev): -17.8603 -17.8603 -17.5921 -17.5921 -9.0508 -9.0508 -8.5536 -8.5536 -7.5840 -7.5840 -7.2564 -7.2564 -7.1241 -7.1241 -6.6624 -6.6624 -5.1682 -5.1682 -2.9536 -2.9536 -2.8503 -2.8503 -2.2883 -2.2883 -1.7692 -1.7692 -0.5777 -0.5777 5.1841 5.1841 5.2011 5.2011 6.5511 6.5511 7.1317 7.1317 k = 0.0000 0.0000 0.0000 ( 3985 PWs) bands (ev): -17.8605 -17.8605 -17.5919 -17.5919 -9.0513 -9.0513 -8.5534 -8.5534 -7.5842 -7.5842 -7.2561 -7.2561 -7.1239 -7.1239 -6.6604 -6.6604 -5.1715 -5.1715 -2.9516 -2.9516 -2.8511 -2.8511 -2.2904 -2.2904 -1.7681 -1.7681 -0.5762 -0.5762 5.1843 5.1843 5.2027 5.2027 6.5504 6.5504 7.1294 7.1294 k = 0.0000 0.0000 0.0000 ( 3985 PWs) bands (ev): -17.8605 -17.8605 -17.5919 -17.5919 -9.0513 -9.0513 -8.5534 -8.5534 -7.5842 -7.5842 -7.2561 -7.2561 -7.1239 -7.1239 -6.6604 -6.6604 -5.1715 -5.1715 -2.9516 -2.9516 -2.8511 -2.8511 -2.2904 -2.2904 -1.7681 -1.7681 -0.5762 -0.5762 5.1843 5.1843 5.2027 5.2027 6.5504 6.5504 7.1294 7.1294 k =-0.0100 0.0094 0.0000 ( 3995 PWs) bands (ev): -17.8603 -17.8603 -17.5919 -17.5919 -9.0513 -9.0512 -8.5541 -8.5540 -7.5851 -7.5851 -7.2561 -7.2561 -7.1253 -7.1248 -6.6599 -6.6593 -5.1698 -5.1696 -2.9515 -2.9514 -2.8507 -2.8507 -2.2910 -2.2910 -1.7684 -1.7684 -0.5774 -0.5774 5.1495 5.1508 5.2380 5.2394 6.5525 6.5525 7.1305 7.1305 k =-0.0200 0.0188 0.0000 ( 3995 PWs) bands (ev): -17.8598 -17.8598 -17.5919 -17.5919 -9.0512 -9.0509 -8.5562 -8.5559 -7.5875 -7.5875 -7.2560 -7.2560 -7.1288 -7.1279 -6.6580 -6.6569 -5.1646 -5.1642 -2.9512 -2.9509 -2.8493 -2.8493 -2.2927 -2.2927 -1.7695 -1.7695 -0.5811 -0.5810 5.1095 5.1107 5.2834 5.2849 6.5588 6.5588 7.1338 7.1338 k =-0.0300 0.0281 0.0000 ( 3999 PWs) bands (ev): -17.8590 -17.8590 -17.5919 -17.5919 -9.0511 -9.0506 -8.5597 -8.5593 -7.5914 -7.5914 -7.2560 -7.2559 -7.1344 -7.1330 -6.6548 -6.6532 -5.1558 -5.1552 -2.9507 -2.9503 -2.8471 -2.8471 -2.2956 -2.2955 -1.7713 -1.7713 -0.5872 -0.5871 5.0714 5.0725 5.3308 5.3323 6.5692 6.5692 7.1394 7.1394 k =-0.0400 0.0375 0.0000 ( 4003 PWs) bands (ev): -17.8578 -17.8578 -17.5919 -17.5919 -9.0508 -9.0502 -8.5645 -8.5639 -7.5969 -7.5969 -7.2559 -7.2559 -7.1416 -7.1399 -6.6507 -6.6486 -5.1435 -5.1427 -2.9500 -2.9494 -2.8440 -2.8440 -2.2995 -2.2995 -1.7738 -1.7738 -0.5957 -0.5956 5.0353 5.0364 5.3797 5.3813 6.5837 6.5837 7.1473 7.1473 k =-0.0500 0.0469 0.0000 ( 3999 PWs) bands (ev): -17.8563 -17.8563 -17.5919 -17.5919 -9.0505 -9.0497 -8.5706 -8.5699 -7.6038 -7.6038 -7.2558 -7.2558 -7.1501 -7.1481 -6.6459 -6.6433 -5.1277 -5.1267 -2.9491 -2.9484 -2.8400 -2.8400 -2.3046 -2.3045 -1.7769 -1.7769 -0.6064 -0.6063 5.0016 5.0026 5.4300 5.4316 6.6020 6.6020 7.1576 7.1576 k =-0.0600 0.0563 0.0000 ( 4003 PWs) bands (ev): -17.8545 -17.8545 -17.5919 -17.5919 -9.0500 -9.0491 -8.5781 -8.5773 -7.6121 -7.6121 -7.2558 -7.2558 -7.1596 -7.1572 -6.6408 -6.6378 -5.1086 -5.1074 -2.9481 -2.9472 -2.8353 -2.8353 -2.3108 -2.3107 -1.7806 -1.7806 -0.6193 -0.6192 4.9704 4.9713 5.4815 5.4832 6.6240 6.6240 7.1704 7.1704 k =-0.0700 0.0657 0.0000 ( 4007 PWs) bands (ev): -17.8524 -17.8524 -17.5919 -17.5919 -9.0494 -9.0484 -8.5869 -8.5859 -7.6217 -7.6217 -7.2559 -7.2558 -7.1696 -7.1669 -6.6357 -6.6324 -5.0863 -5.0849 -2.9470 -2.9460 -2.8299 -2.8299 -2.3181 -2.3180 -1.7848 -1.7848 -0.6344 -0.6342 4.9417 4.9425 5.5341 5.5359 6.6495 6.6495 7.1858 7.1858 k =-0.0800 0.0751 0.0000 ( 4007 PWs) bands (ev): -17.8500 -17.8500 -17.5919 -17.5919 -9.0487 -9.0476 -8.5969 -8.5958 -7.6326 -7.6326 -7.2561 -7.2560 -7.1797 -7.1769 -6.6309 -6.6274 -5.0608 -5.0593 -2.9458 -2.9447 -2.8240 -2.8240 -2.3265 -2.3264 -1.7895 -1.7895 -0.6513 -0.6511 4.9158 4.9166 5.5878 5.5896 6.6781 6.6781 7.2042 7.2042 k =-0.0900 0.0844 0.0000 ( 4009 PWs) bands (ev): -17.8472 -17.8472 -17.5919 -17.5919 -9.0479 -9.0466 -8.6082 -8.6070 -7.6446 -7.6446 -7.2564 -7.2564 -7.1897 -7.1867 -6.6268 -6.6230 -5.0324 -5.0307 -2.9447 -2.9434 -2.8175 -2.8175 -2.3359 -2.3358 -1.7945 -1.7945 -0.6701 -0.6698 4.8928 4.8934 5.6423 5.6441 6.7095 6.7095 7.2257 7.2257 k =-0.1000 0.0938 0.0000 ( 4013 PWs) bands (ev): -17.8442 -17.8442 -17.5920 -17.5920 -9.0470 -9.0456 -8.6206 -8.6192 -7.6577 -7.6576 -7.2570 -7.2569 -7.1993 -7.1961 -6.6234 -6.6195 -5.0011 -4.9994 -2.9436 -2.9422 -2.8105 -2.8105 -2.3464 -2.3463 -1.7998 -1.7998 -0.6905 -0.6902 4.8727 4.8733 5.6975 5.6994 6.7432 6.7432 7.2507 7.2507 k =-0.1100 0.1032 0.0000 ( 4017 PWs) bands (ev): -17.8410 -17.8409 -17.5920 -17.5920 -9.0460 -9.0444 -8.6341 -8.6326 -7.6717 -7.6716 -7.2577 -7.2577 -7.2082 -7.2048 -6.6211 -6.6170 -4.9673 -4.9654 -2.9427 -2.9412 -2.8033 -2.8033 -2.3579 -2.3578 -1.8052 -1.8052 -0.7123 -0.7120 4.8558 4.8563 5.7533 5.7553 6.7789 6.7789 7.2795 7.2795 k =-0.1200 0.1126 0.0000 ( 4011 PWs) bands (ev): -17.8374 -17.8374 -17.5920 -17.5920 -9.0448 -9.0431 -8.6486 -8.6470 -7.6865 -7.6865 -7.2587 -7.2587 -7.2162 -7.2127 -6.6197 -6.6156 -4.9311 -4.9291 -2.9420 -2.9403 -2.7957 -2.7957 -2.3703 -2.3702 -1.8107 -1.8107 -0.7354 -0.7351 4.8420 4.8425 5.8096 5.8116 6.8159 6.8159 7.2935 7.2936 k =-0.1300 0.1220 0.0000 ( 4007 PWs) bands (ev): -17.8335 -17.8335 -17.5920 -17.5920 -9.0436 -9.0417 -8.6640 -8.6623 -7.7022 -7.7021 -7.2599 -7.2598 -7.2232 -7.2196 -6.6196 -6.6153 -4.8928 -4.8907 -2.9415 -2.9398 -2.7881 -2.7881 -2.3838 -2.3836 -1.8162 -1.8162 -0.7596 -0.7593 4.8316 4.8319 5.8662 5.8682 6.8537 6.8537 7.2835 7.2837 k =-0.1400 0.1313 0.0000 ( 4003 PWs) bands (ev): -17.8295 -17.8295 -17.5921 -17.5921 -9.0423 -9.0403 -8.6802 -8.6785 -7.7185 -7.7184 -7.2614 -7.2613 -7.2292 -7.2255 -6.6206 -6.6163 -4.8526 -4.8504 -2.9414 -2.9395 -2.7806 -2.7806 -2.3980 -2.3979 -1.8215 -1.8214 -0.7847 -0.7843 4.8245 4.8248 5.9229 5.9249 6.8919 6.8919 7.2695 7.2697 k =-0.1500 0.1407 0.0000 ( 3995 PWs) bands (ev): -17.8252 -17.8252 -17.5921 -17.5921 -9.0410 -9.0388 -8.6971 -8.6952 -7.7354 -7.7354 -7.2630 -7.2630 -7.2339 -7.2301 -6.6229 -6.6185 -4.8107 -4.8085 -2.9417 -2.9397 -2.7731 -2.7731 -2.4132 -2.4131 -1.8265 -1.8265 -0.8104 -0.8100 4.8209 4.8211 5.9794 5.9815 6.9300 6.9300 7.2515 7.2518 k =-0.1600 0.1501 0.0000 ( 4003 PWs) bands (ev): -17.8207 -17.8207 -17.5922 -17.5922 -9.0397 -9.0374 -8.7144 -8.7124 -7.7528 -7.7528 -7.2649 -7.2649 -7.2376 -7.2337 -6.6263 -6.6219 -4.7676 -4.7652 -2.9424 -2.9404 -2.7660 -2.7660 -2.4292 -2.4291 -1.8311 -1.8311 -0.8366 -0.8361 4.8208 4.8210 6.0357 6.0378 6.9676 6.9676 7.2297 7.2301 k =-0.1700 0.1595 0.0000 ( 4001 PWs) bands (ev): -17.8160 -17.8160 -17.5923 -17.5923 -9.0384 -9.0361 -8.7321 -8.7300 -7.7707 -7.7707 -7.2670 -7.2670 -7.2400 -7.2360 -6.6308 -6.6264 -4.7233 -4.7209 -2.9437 -2.9416 -2.7591 -2.7591 -2.4459 -2.4459 -1.8353 -1.8353 -0.8631 -0.8625 4.8243 4.8243 6.0914 6.0935 7.0045 7.0045 7.2047 7.2052 k =-0.1800 0.1689 0.0000 ( 4003 PWs) bands (ev): -17.8111 -17.8111 -17.5924 -17.5924 -9.0374 -9.0349 -8.7499 -8.7476 -7.7889 -7.7889 -7.2694 -7.2694 -7.2412 -7.2371 -6.6364 -6.6320 -4.6782 -4.6758 -2.9455 -2.9433 -2.7528 -2.7528 -2.4633 -2.4633 -1.8388 -1.8388 -0.8896 -0.8890 4.8313 4.8313 6.1464 6.1485 7.0407 7.0407 7.1770 7.1776 k =-0.1900 0.1783 0.0000 ( 4015 PWs) bands (ev): -17.8061 -17.8061 -17.5926 -17.5926 -9.0367 -9.0340 -8.7675 -8.7652 -7.8074 -7.8074 -7.2720 -7.2720 -7.2414 -7.2372 -6.6430 -6.6386 -4.6326 -4.6302 -2.9480 -2.9457 -2.7471 -2.7471 -2.4813 -2.4813 -1.8417 -1.8417 -0.9160 -0.9154 4.8418 4.8418 6.2002 6.2023 7.0762 7.0762 7.1475 7.1481 k =-0.2000 0.1876 0.0000 ( 4019 PWs) bands (ev): -17.8009 -17.8009 -17.5927 -17.5927 -9.0363 -9.0336 -8.7847 -8.7823 -7.8261 -7.8261 -7.2749 -7.2748 -7.2404 -7.2362 -6.6505 -6.6461 -4.5868 -4.5843 -2.9511 -2.9487 -2.7420 -2.7420 -2.4998 -2.4998 -1.8438 -1.8438 -0.9420 -0.9414 4.8558 4.8559 6.2528 6.2549 7.1111 7.1111 7.1169 7.1176 k =-0.2100 0.1970 0.0000 ( 4023 PWs) bands (ev): -17.7956 -17.7956 -17.5929 -17.5929 -9.0367 -9.0339 -8.8011 -8.7987 -7.8448 -7.8448 -7.2779 -7.2778 -7.2384 -7.2341 -6.6589 -6.6544 -4.5409 -4.5384 -2.9548 -2.9524 -2.7377 -2.7377 -2.5187 -2.5187 -1.8451 -1.8451 -0.9676 -0.9669 4.8732 4.8734 6.3037 6.3057 7.0860 7.0868 7.1456 7.1456 k =-0.2200 0.2064 0.0000 ( 4035 PWs) bands (ev): -17.7902 -17.7902 -17.5931 -17.5931 -9.0379 -9.0350 -8.8166 -8.8141 -7.8637 -7.8637 -7.2810 -7.2810 -7.2355 -7.2311 -6.6680 -6.6636 -4.4954 -4.4929 -2.9593 -2.9568 -2.7341 -2.7341 -2.5380 -2.5379 -1.8455 -1.8455 -0.9924 -0.9917 4.8941 4.8943 6.3526 6.3546 7.0556 7.0565 7.1798 7.1798 k =-0.2300 0.2158 0.0000 ( 4031 PWs) bands (ev): -17.7847 -17.7847 -17.5933 -17.5933 -9.0403 -9.0373 -8.8305 -8.8280 -7.8825 -7.8824 -7.2843 -7.2843 -7.2317 -7.2273 -6.6777 -6.6733 -4.4504 -4.4479 -2.9644 -2.9619 -2.7314 -2.7314 -2.5573 -2.5573 -1.8450 -1.8450 -1.0164 -1.0156 4.9182 4.9184 6.3993 6.4013 7.0264 7.0274 7.2140 7.2140 k =-0.2400 0.2252 0.0000 ( 4039 PWs) bands (ev): -17.7791 -17.7791 -17.5936 -17.5936 -9.0440 -9.0411 -8.8426 -8.8402 -7.9012 -7.9012 -7.2878 -7.2877 -7.2271 -7.2227 -6.6880 -6.6837 -4.4063 -4.4037 -2.9702 -2.9677 -2.7296 -2.7296 -2.5768 -2.5767 -1.8435 -1.8435 -1.0393 -1.0385 4.9453 4.9456 6.4435 6.4453 6.9991 7.0002 7.2482 7.2482 k =-0.2500 0.2346 0.0000 ( 4037 PWs) bands (ev): -17.7734 -17.7734 -17.5939 -17.5939 -9.0494 -9.0465 -8.8526 -8.8502 -7.9197 -7.9197 -7.2913 -7.2913 -7.2218 -7.2174 -6.6988 -6.6945 -4.3632 -4.3606 -2.9767 -2.9742 -2.7287 -2.7287 -2.5962 -2.5961 -1.8412 -1.8412 -1.0612 -1.0603 4.9754 4.9757 6.4847 6.4865 6.9741 6.9754 7.2827 7.2827 k =-0.2600 0.2439 0.0000 ( 4033 PWs) bands (ev): -17.7677 -17.7677 -17.5942 -17.5942 -9.0565 -9.0538 -8.8602 -8.8580 -7.9380 -7.9380 -7.2950 -7.2949 -7.2160 -7.2115 -6.7099 -6.7057 -4.3213 -4.3187 -2.9839 -2.9814 -2.7286 -2.7286 -2.6154 -2.6153 -1.8380 -1.8380 -1.0817 -1.0808 5.0081 5.0085 6.5229 6.5245 6.9521 6.9535 7.3176 7.3176 k =-0.2700 0.2533 0.0000 ( 4039 PWs) bands (ev): -17.7621 -17.7620 -17.5945 -17.5945 -9.0653 -9.0628 -8.8655 -8.8635 -7.9560 -7.9560 -7.2987 -7.2986 -7.2097 -7.2052 -6.7214 -6.7172 -4.2810 -4.2784 -2.9917 -2.9892 -2.7294 -2.7294 -2.6343 -2.6342 -1.8340 -1.8340 -1.1009 -1.1000 5.0431 5.0435 6.5579 6.5593 6.9334 6.9351 7.3529 7.3529 k =-0.2800 0.2627 0.0000 ( 4045 PWs) bands (ev): -17.7564 -17.7564 -17.5949 -17.5949 -9.0757 -9.0735 -8.8685 -8.8668 -7.9737 -7.9737 -7.3024 -7.3024 -7.2030 -7.1985 -6.7331 -6.7289 -4.2424 -4.2398 -3.0001 -2.9976 -2.7309 -2.7309 -2.6528 -2.6527 -1.8292 -1.8292 -1.1187 -1.1177 5.0801 5.0806 6.5894 6.5906 6.9186 6.9204 7.3888 7.3888 k =-0.2900 0.2721 0.0000 ( 4049 PWs) bands (ev): -17.7507 -17.7507 -17.5954 -17.5954 -9.0874 -9.0855 -8.8695 -8.8680 -7.9910 -7.9909 -7.3062 -7.3061 -7.1959 -7.1915 -6.7448 -6.7408 -4.2056 -4.2030 -3.0089 -3.0065 -2.7331 -2.7331 -2.6707 -2.6706 -1.8237 -1.8237 -1.1350 -1.1340 5.1187 5.1192 6.6175 6.6185 6.9078 6.9099 7.4253 7.4253 k =-0.3000 0.2815 0.0000 ( 4049 PWs) bands (ev): -17.7451 -17.7451 -17.5958 -17.5958 -9.1001 -9.0984 -8.8688 -8.8676 -8.0078 -8.0078 -7.3099 -7.3099 -7.1887 -7.1843 -6.7567 -6.7527 -4.1708 -4.1683 -3.0183 -3.0159 -2.7359 -2.7359 -2.6880 -2.6878 -1.8177 -1.8177 -1.1497 -1.1487 5.1585 5.1590 6.6423 6.6430 6.9016 6.9040 7.4624 7.4624 k =-0.3100 0.2908 0.0000 ( 4049 PWs) bands (ev): -17.7395 -17.7395 -17.5963 -17.5963 -9.1135 -9.1120 -8.8667 -8.8657 -8.0241 -8.0241 -7.3137 -7.3136 -7.1813 -7.1769 -6.7685 -6.7645 -4.1382 -4.1358 -3.0280 -3.0257 -2.7393 -2.7393 -2.7044 -2.7042 -1.8111 -1.8111 -1.1629 -1.1618 5.1989 5.1994 6.6637 6.6642 6.9004 6.9029 7.5001 7.5002 k =-0.3200 0.3002 0.0000 ( 4049 PWs) bands (ev): -17.7340 -17.7340 -17.5969 -17.5969 -9.1271 -9.1258 -8.8636 -8.8628 -8.0398 -8.0398 -7.3174 -7.3173 -7.1739 -7.1695 -6.7802 -6.7763 -4.1079 -4.1054 -3.0381 -3.0358 -2.7432 -2.7432 -2.7200 -2.7198 -1.8041 -1.8041 -1.1745 -1.1734 5.2395 5.2400 6.6818 6.6821 6.9046 6.9073 7.5385 7.5385 k =-0.3300 0.3096 0.0000 ( 4049 PWs) bands (ev): -17.7286 -17.7286 -17.5975 -17.5974 -9.1409 -9.1398 -8.8595 -8.8589 -8.0550 -8.0550 -7.3210 -7.3210 -7.1665 -7.1622 -6.7917 -6.7879 -4.0798 -4.0774 -3.0484 -3.0462 -2.7474 -2.7474 -2.7346 -2.7344 -1.7969 -1.7969 -1.1846 -1.1835 5.2797 5.2802 6.6964 6.6966 6.9149 6.9177 7.5775 7.5775 k =-0.3400 0.3190 0.0000 ( 4061 PWs) bands (ev): -17.7234 -17.7234 -17.5981 -17.5981 -9.1546 -9.1536 -8.8549 -8.8544 -8.0696 -8.0695 -7.3245 -7.3245 -7.1592 -7.1549 -6.8030 -6.7993 -4.0540 -4.0518 -3.0589 -3.0567 -2.7520 -2.7519 -2.7482 -2.7480 -1.7894 -1.7894 -1.1932 -1.1921 5.3189 5.3194 6.7075 6.7077 6.9321 6.9348 7.6170 7.6170 k =-0.3500 0.3284 0.0000 ( 4071 PWs) bands (ev): -17.7183 -17.7183 -17.5987 -17.5987 -9.1680 -9.1672 -8.8498 -8.8495 -8.0834 -8.0834 -7.3280 -7.3279 -7.1520 -7.1479 -6.8139 -6.8103 -4.0306 -4.0285 -3.0694 -3.0674 -2.7608 -2.7607 -2.7567 -2.7566 -1.7819 -1.7818 -1.2004 -1.1993 5.3567 5.3572 6.7149 6.7152 6.9569 6.9595 7.6569 7.6569 k =-0.3600 0.3378 0.0000 ( 4061 PWs) bands (ev): -17.7133 -17.7133 -17.5994 -17.5994 -9.1809 -9.1802 -8.8444 -8.8442 -8.0965 -8.0965 -7.3312 -7.3312 -7.1451 -7.1410 -6.8245 -6.8210 -4.0095 -4.0074 -3.0799 -3.0779 -2.7723 -2.7722 -2.7615 -2.7615 -1.7743 -1.7743 -1.2063 -1.2052 5.3926 5.3931 6.7189 6.7193 6.9897 6.9921 7.6973 7.6973 k =-0.3700 0.3471 0.0000 ( 4057 PWs) bands (ev): -17.7086 -17.7085 -17.6001 -17.6001 -9.1933 -9.1927 -8.8389 -8.8387 -8.1089 -8.1089 -7.3344 -7.3343 -7.1383 -7.1344 -6.8346 -6.8312 -3.9906 -3.9886 -3.0903 -3.0884 -2.7827 -2.7826 -2.7664 -2.7664 -1.7668 -1.7668 -1.2108 -1.2098 5.4261 5.4266 6.7197 6.7203 7.0307 7.0328 7.7378 7.7378 k =-0.3800 0.3565 0.0000 ( 4061 PWs) bands (ev): -17.7040 -17.7040 -17.6009 -17.6009 -9.2050 -9.2045 -8.8333 -8.8332 -8.1205 -8.1204 -7.3374 -7.3373 -7.1320 -7.1282 -6.8442 -6.8410 -3.9738 -3.9719 -3.1004 -3.0986 -2.7921 -2.7920 -2.7712 -2.7712 -1.7596 -1.7596 -1.2142 -1.2132 5.4570 5.4575 6.7179 6.7186 7.0797 7.0816 7.7783 7.7783 k =-0.3900 0.3659 0.0000 ( 4057 PWs) bands (ev): -17.6997 -17.6996 -17.6017 -17.6017 -9.2160 -9.2156 -8.8278 -8.8277 -8.1312 -8.1312 -7.3402 -7.3402 -7.1259 -7.1223 -6.8532 -6.8501 -3.9590 -3.9573 -3.1102 -3.1085 -2.8005 -2.8004 -2.7759 -2.7759 -1.7525 -1.7525 -1.2167 -1.2157 5.4851 5.4855 6.7140 6.7148 7.1365 7.1383 7.8186 7.8186 k =-0.4000 0.3753 0.0000 ( 4057 PWs) bands (ev): -17.6955 -17.6955 -17.6024 -17.6024 -9.2262 -9.2258 -8.8224 -8.8224 -8.1411 -8.1411 -7.3428 -7.3428 -7.1203 -7.1169 -6.8617 -6.8588 -3.9462 -3.9446 -3.1195 -3.1180 -2.8079 -2.8079 -2.7804 -2.7804 -1.7459 -1.7459 -1.2182 -1.2173 5.5102 5.5106 6.7086 6.7094 7.2007 7.2022 7.8585 7.8585 k =-0.4100 0.3847 0.0000 ( 4065 PWs) bands (ev): -17.6917 -17.6917 -17.6032 -17.6032 -9.2356 -9.2352 -8.8174 -8.8173 -8.1502 -8.1502 -7.3452 -7.3452 -7.1150 -7.1119 -6.8695 -6.8668 -3.9351 -3.9336 -3.1283 -3.1269 -2.8145 -2.8144 -2.7847 -2.7847 -1.7396 -1.7396 -1.2190 -1.2182 5.5324 5.5328 6.7022 6.7030 7.2715 7.2730 7.8975 7.8975 k =-0.4200 0.3940 0.0000 ( 4057 PWs) bands (ev): -17.6882 -17.6882 -17.6040 -17.6040 -9.2440 -9.2437 -8.8126 -8.8126 -8.1583 -8.1583 -7.3474 -7.3474 -7.1102 -7.1073 -6.8766 -6.8741 -3.9256 -3.9243 -3.1365 -3.1353 -2.8201 -2.8200 -2.7886 -2.7886 -1.7339 -1.7339 -1.2192 -1.2185 5.5517 5.5521 6.6951 6.6960 7.3484 7.3497 7.9354 7.9354 k =-0.4300 0.4034 0.0000 ( 4051 PWs) bands (ev): -17.6850 -17.6850 -17.6048 -17.6048 -9.2516 -9.2514 -8.8082 -8.8082 -8.1656 -8.1656 -7.3494 -7.3493 -7.1059 -7.1032 -6.8830 -6.8807 -3.9176 -3.9165 -3.1440 -3.1428 -2.8248 -2.8248 -2.7922 -2.7922 -1.7287 -1.7287 -1.2190 -1.2183 5.5683 5.5686 6.6880 6.6887 7.4303 7.4315 7.9715 7.9715 k =-0.4400 0.4128 0.0000 ( 4045 PWs) bands (ev): -17.6821 -17.6821 -17.6055 -17.6055 -9.2582 -9.2580 -8.8043 -8.8042 -8.1719 -8.1719 -7.3511 -7.3510 -7.1020 -7.0997 -6.8886 -6.8865 -3.9109 -3.9099 -3.1506 -3.1496 -2.8289 -2.8289 -2.7954 -2.7954 -1.7241 -1.7241 -1.2185 -1.2179 5.5822 5.5825 6.6810 6.6817 7.5159 7.5170 8.0053 8.0053 k =-0.4500 0.4222 0.0000 ( 4043 PWs) bands (ev): -17.6796 -17.6796 -17.6061 -17.6061 -9.2638 -9.2636 -8.8008 -8.8008 -8.1772 -8.1772 -7.3525 -7.3525 -7.0987 -7.0967 -6.8933 -6.8916 -3.9055 -3.9047 -3.1564 -3.1556 -2.8322 -2.8322 -2.7982 -2.7982 -1.7201 -1.7201 -1.2178 -1.2173 5.5937 5.5939 6.6745 6.6751 7.6034 7.6044 8.0360 8.0360 k =-0.4600 0.4316 0.0000 ( 4047 PWs) bands (ev): -17.6775 -17.6775 -17.6067 -17.6067 -9.2684 -9.2682 -8.7980 -8.7979 -8.1816 -8.1816 -7.3538 -7.3537 -7.0959 -7.0942 -6.8972 -6.8958 -3.9013 -3.9006 -3.1612 -3.1605 -2.8349 -2.8349 -2.8006 -2.8006 -1.7168 -1.7168 -1.2171 -1.2166 5.6028 5.6030 6.6688 6.6693 7.6902 7.6912 8.0629 8.0629 k =-0.4700 0.4410 0.0000 ( 4047 PWs) bands (ev): -17.6759 -17.6759 -17.6072 -17.6072 -9.2720 -9.2719 -8.7957 -8.7957 -8.1851 -8.1851 -7.3547 -7.3547 -7.0937 -7.0924 -6.9003 -6.8992 -3.8980 -3.8975 -3.1649 -3.1644 -2.8369 -2.8369 -2.8024 -2.8024 -1.7142 -1.7142 -1.2164 -1.2160 5.6098 5.6099 6.6642 6.6646 7.7723 7.7732 8.0852 8.0852 k =-0.4800 0.4503 0.0000 ( 4047 PWs) bands (ev): -17.6747 -17.6747 -17.6075 -17.6075 -9.2746 -9.2745 -8.7941 -8.7940 -8.1876 -8.1875 -7.3554 -7.3554 -7.0920 -7.0911 -6.9024 -6.9017 -3.8957 -3.8954 -3.1676 -3.1673 -2.8383 -2.8383 -2.8037 -2.8037 -1.7123 -1.7123 -1.2158 -1.2156 5.6147 5.6148 6.6608 6.6610 7.8433 7.8440 8.1018 8.1018 k =-0.4900 0.4597 0.0000 ( 4048 PWs) bands (ev): -17.6739 -17.6739 -17.6078 -17.6078 -9.2761 -9.2761 -8.7931 -8.7931 -8.1890 -8.1890 -7.3558 -7.3558 -7.0909 -7.0904 -6.9036 -6.9032 -3.8943 -3.8941 -3.1693 -3.1691 -2.8392 -2.8392 -2.8045 -2.8045 -1.7112 -1.7112 -1.2154 -1.2153 5.6176 5.6177 6.6587 6.6588 7.8937 7.8940 8.1122 8.1122 k =-0.5000 0.4691 0.0000 ( 4042 PWs) bands (ev): -17.6737 -17.6737 -17.6078 -17.6078 -9.2766 -9.2766 -8.7927 -8.7927 -8.1895 -8.1895 -7.3559 -7.3559 -7.0903 -7.0903 -6.9039 -6.9039 -3.8938 -3.8938 -3.1697 -3.1697 -2.8395 -2.8395 -2.8048 -2.8048 -1.7108 -1.7108 -1.2152 -1.2152 5.6186 5.6186 6.6580 6.6580 7.9123 7.9123 8.1157 8.1157 k =-0.5000 0.4691 0.0000 ( 4042 PWs) bands (ev): -17.6737 -17.6737 -17.6078 -17.6078 -9.2766 -9.2766 -8.7927 -8.7927 -8.1895 -8.1895 -7.3559 -7.3559 -7.0903 -7.0903 -6.9039 -6.9039 -3.8938 -3.8938 -3.1697 -3.1697 -2.8395 -2.8395 -2.8048 -2.8048 -1.7108 -1.7108 -1.2152 -1.2152 5.6186 5.6186 6.6580 6.6580 7.9123 7.9123 8.1157 8.1157 k =-0.4925 0.4771-0.0000 ( 4038 PWs) bands (ev): -17.6738 -17.6738 -17.6078 -17.6078 -9.2763 -9.2763 -8.7930 -8.7929 -8.1892 -8.1891 -7.3559 -7.3558 -7.0906 -7.0905 -6.9037 -6.9036 -3.8942 -3.8941 -3.1695 -3.1695 -2.8424 -2.8422 -2.8011 -2.8009 -1.7116 -1.7116 -1.2149 -1.2149 5.6199 5.6199 6.6586 6.6587 7.9106 7.9107 8.1132 8.1133 k =-0.4850 0.4851-0.0000 ( 4042 PWs) bands (ev): -17.6741 -17.6741 -17.6078 -17.6078 -9.2755 -9.2755 -8.7938 -8.7936 -8.1882 -8.1881 -7.3558 -7.3557 -7.0911 -7.0909 -6.9030 -6.9028 -3.8954 -3.8952 -3.1689 -3.1687 -2.8486 -2.8483 -2.7922 -2.7919 -1.7142 -1.7141 -1.2141 -1.2140 5.6236 5.6238 6.6603 6.6604 7.9054 7.9055 8.1058 8.1060 k =-0.4775 0.4930-0.0000 ( 4050 PWs) bands (ev): -17.6746 -17.6746 -17.6077 -17.6077 -9.2742 -9.2742 -8.7950 -8.7948 -8.1865 -8.1863 -7.3557 -7.3555 -7.0920 -7.0917 -6.9018 -6.9015 -3.8974 -3.8971 -3.1679 -3.1676 -2.8557 -2.8554 -2.7804 -2.7801 -1.7184 -1.7183 -1.2127 -1.2126 5.6299 5.6301 6.6632 6.6634 7.8967 7.8968 8.0936 8.0939 k =-0.4701 0.5010-0.0000 ( 4048 PWs) bands (ev): -17.6753 -17.6753 -17.6077 -17.6077 -9.2723 -9.2723 -8.7967 -8.7964 -8.1840 -8.1839 -7.3554 -7.3552 -7.0932 -7.0929 -6.9001 -6.8997 -3.9001 -3.8997 -3.1663 -3.1660 -2.8625 -2.8622 -2.7670 -2.7667 -1.7243 -1.7240 -1.2107 -1.2106 5.6387 5.6390 6.6672 6.6674 7.8841 7.8843 8.0767 8.0771 k =-0.4701 0.5010-0.0000 ( 4048 PWs) bands (ev): -17.6753 -17.6753 -17.6077 -17.6077 -9.2723 -9.2723 -8.7967 -8.7964 -8.1840 -8.1839 -7.3554 -7.3552 -7.0932 -7.0929 -6.9001 -6.8997 -3.9001 -3.8997 -3.1663 -3.1660 -2.8625 -2.8622 -2.7670 -2.7667 -1.7243 -1.7240 -1.2107 -1.2106 5.6387 5.6390 6.6672 6.6674 7.8841 7.8843 8.0767 8.0771 k =-0.4701 0.5010 0.0137 ( 4051 PWs) bands (ev): -17.6753 -17.6753 -17.6077 -17.6077 -9.2722 -9.2721 -8.7976 -8.7973 -8.1835 -8.1833 -7.3563 -7.3561 -7.0924 -7.0920 -6.9000 -6.8996 -3.8998 -3.8993 -3.1731 -3.1727 -2.8572 -2.8569 -2.7637 -2.7633 -1.7251 -1.7249 -1.2116 -1.2115 5.6383 5.6386 6.6634 6.6636 7.8845 7.8847 8.0774 8.0777 k =-0.4701 0.5010 0.0274 ( 4048 PWs) bands (ev): -17.6751 -17.6751 -17.6079 -17.6079 -9.2717 -9.2717 -8.8002 -8.7999 -8.1817 -8.1815 -7.3589 -7.3587 -7.0898 -7.0894 -6.8996 -6.8992 -3.8988 -3.8983 -3.1916 -3.1913 -2.8435 -2.8431 -2.7532 -2.7527 -1.7275 -1.7273 -1.2142 -1.2141 5.6373 5.6376 6.6520 6.6522 7.8857 7.8859 8.0792 8.0796 k =-0.4701 0.5010 0.0411 ( 4040 PWs) bands (ev): -17.6748 -17.6748 -17.6081 -17.6081 -9.2709 -9.2709 -8.8045 -8.8042 -8.1788 -8.1786 -7.3632 -7.3630 -7.0855 -7.0852 -6.8989 -6.8985 -3.8970 -3.8966 -3.2185 -3.2181 -2.8263 -2.8259 -2.7340 -2.7335 -1.7316 -1.7313 -1.2186 -1.2185 5.6356 5.6359 6.6333 6.6335 7.8877 7.8879 8.0822 8.0826 k =-0.4701 0.5010 0.0548 ( 4047 PWs) bands (ev): -17.6744 -17.6744 -17.6085 -17.6085 -9.2699 -9.2698 -8.8104 -8.8102 -8.1748 -8.1746 -7.3692 -7.3690 -7.0798 -7.0794 -6.8980 -6.8976 -3.8947 -3.8942 -3.2503 -3.2500 -2.8094 -2.8089 -2.7059 -2.7054 -1.7372 -1.7370 -1.2248 -1.2247 5.6333 5.6336 6.6078 6.6080 7.8902 7.8904 8.0863 8.0868 k =-0.4701 0.5010 0.0685 ( 4039 PWs) bands (ev): -17.6738 -17.6738 -17.6089 -17.6089 -9.2684 -9.2684 -8.8179 -8.8176 -8.1696 -8.1694 -7.3769 -7.3767 -7.0725 -7.0721 -6.8969 -6.8965 -3.8917 -3.8913 -3.2848 -3.2844 -2.7935 -2.7930 -2.6703 -2.6697 -1.7445 -1.7443 -1.2326 -1.2325 5.6304 5.6307 6.5762 6.5764 7.8931 7.8934 8.0914 8.0919 k =-0.4701 0.5010 0.0823 ( 4043 PWs) bands (ev): -17.6731 -17.6731 -17.6095 -17.6095 -9.2667 -9.2667 -8.8268 -8.8266 -8.1633 -8.1631 -7.3862 -7.3860 -7.0639 -7.0635 -6.8955 -6.8951 -3.8882 -3.8878 -3.3204 -3.3201 -2.7780 -2.7775 -2.6296 -2.6290 -1.7533 -1.7531 -1.2421 -1.2420 5.6270 5.6272 6.5391 6.5393 7.8962 7.8965 8.0973 8.0979 k =-0.4701 0.5010 0.0960 ( 4040 PWs) bands (ev): -17.6723 -17.6723 -17.6102 -17.6102 -9.2646 -9.2646 -8.8370 -8.8368 -8.1559 -8.1557 -7.3970 -7.3968 -7.0541 -7.0537 -6.8939 -6.8936 -3.8842 -3.8837 -3.3562 -3.3559 -2.7619 -2.7615 -2.5856 -2.5851 -1.7637 -1.7635 -1.2531 -1.2530 5.6230 5.6233 6.4973 6.4975 7.8994 7.8996 8.1038 8.1045 k =-0.4701 0.5010 0.1097 ( 4037 PWs) bands (ev): -17.6714 -17.6714 -17.6109 -17.6109 -9.2622 -9.2622 -8.8485 -8.8482 -8.1473 -8.1472 -7.4093 -7.4092 -7.0433 -7.0430 -6.8921 -6.8917 -3.8797 -3.8793 -3.3916 -3.3913 -2.7448 -2.7444 -2.5397 -2.5392 -1.7756 -1.7754 -1.2658 -1.2656 5.6186 5.6189 6.4516 6.4518 7.9023 7.9026 8.1105 8.1112 k =-0.4701 0.5010 0.1234 ( 4034 PWs) bands (ev): -17.6704 -17.6704 -17.6118 -17.6118 -9.2594 -9.2594 -8.8609 -8.8607 -8.1377 -8.1376 -7.4231 -7.4229 -7.0317 -7.0314 -6.8901 -6.8897 -3.8749 -3.8745 -3.4261 -3.4258 -2.7264 -2.7260 -2.4926 -2.4921 -1.7889 -1.7887 -1.2799 -1.2797 5.6139 5.6141 6.4029 6.4031 7.9050 7.9052 8.1169 8.1177 k =-0.4701 0.5010 0.1371 ( 4038 PWs) bands (ev): -17.6693 -17.6693 -17.6127 -17.6127 -9.2562 -9.2562 -8.8743 -8.8741 -8.1270 -8.1269 -7.4382 -7.4380 -7.0195 -7.0192 -6.8879 -6.8876 -3.8697 -3.8693 -3.4595 -3.4592 -2.7068 -2.7064 -2.4449 -2.4444 -1.8037 -1.8035 -1.2954 -1.2952 5.6089 5.6092 6.3520 6.3521 7.9071 7.9074 8.1222 8.1231 k =-0.4701 0.5010 0.1508 ( 4032 PWs) bands (ev): -17.6681 -17.6681 -17.6138 -17.6138 -9.2527 -9.2527 -8.8885 -8.8883 -8.1153 -8.1151 -7.4545 -7.4544 -7.0069 -7.0065 -6.8856 -6.8852 -3.8644 -3.8640 -3.4914 -3.4911 -2.6857 -2.6853 -2.3969 -2.3964 -1.8199 -1.8198 -1.3123 -1.3121 5.6038 5.6041 6.2995 6.2996 7.9088 7.9091 8.1253 8.1263 k =-0.4701 0.5010 0.1645 ( 4030 PWs) bands (ev): -17.6668 -17.6668 -17.6149 -17.6149 -9.2487 -9.2487 -8.9033 -8.9031 -8.1025 -8.1023 -7.4720 -7.4719 -6.9940 -6.9936 -6.8831 -6.8828 -3.8588 -3.8585 -3.5217 -3.5215 -2.6632 -2.6629 -2.3490 -2.3485 -1.8375 -1.8374 -1.3305 -1.3303 5.5988 5.5990 6.2462 6.2463 7.9098 7.9101 8.1249 8.1261 k =-0.4701 0.5010 0.1782 ( 4034 PWs) bands (ev): -17.6654 -17.6654 -17.6161 -17.6161 -9.2443 -9.2443 -8.9187 -8.9185 -8.0887 -8.0886 -7.4906 -7.4906 -6.9811 -6.9807 -6.8805 -6.8802 -3.8532 -3.8529 -3.5504 -3.5501 -2.6395 -2.6391 -2.3014 -2.3009 -1.8565 -1.8563 -1.3498 -1.3497 5.5938 5.5940 6.1927 6.1928 7.9102 7.9106 8.1197 8.1210 k =-0.4701 0.5010 0.1919 ( 4035 PWs) bands (ev): -17.6639 -17.6639 -17.6174 -17.6174 -9.2394 -9.2394 -8.9344 -8.9342 -8.0740 -8.0738 -7.5103 -7.5102 -6.9682 -6.9679 -6.8779 -6.8776 -3.8475 -3.8472 -3.5773 -3.5770 -2.6145 -2.6142 -2.2542 -2.2538 -1.8767 -1.8766 -1.3704 -1.3702 5.5892 5.5894 6.1396 6.1397 7.9101 7.9105 8.1093 8.1106 k =-0.4701 0.5010 0.2056 ( 4037 PWs) bands (ev): -17.6623 -17.6623 -17.6188 -17.6188 -9.2341 -9.2341 -8.9503 -8.9501 -8.0583 -8.0581 -7.5307 -7.5307 -6.9557 -6.9554 -6.8752 -6.8750 -3.8419 -3.8416 -3.6024 -3.6021 -2.5884 -2.5881 -2.2077 -2.2073 -1.8981 -1.8980 -1.3920 -1.3918 5.5850 5.5852 6.0874 6.0876 7.9094 7.9098 8.0941 8.0954 k =-0.4701 0.5010 0.2193 ( 4034 PWs) bands (ev): -17.6607 -17.6607 -17.6203 -17.6203 -9.2283 -9.2283 -8.9664 -8.9662 -8.0417 -8.0415 -7.5520 -7.5520 -6.9436 -6.9433 -6.8726 -6.8724 -3.8363 -3.8360 -3.6256 -3.6254 -2.5614 -2.5611 -2.1620 -2.1615 -1.9207 -1.9206 -1.4147 -1.4145 5.5815 5.5817 6.0367 6.0368 7.9083 7.9087 8.0755 8.0767 k =-0.4701 0.5010 0.2330 ( 4035 PWs) bands (ev): -17.6590 -17.6590 -17.6218 -17.6218 -9.2220 -9.2220 -8.9825 -8.9823 -8.0242 -8.0241 -7.5740 -7.5739 -6.9321 -6.9318 -6.8701 -6.8698 -3.8308 -3.8305 -3.6469 -3.6467 -2.5334 -2.5331 -2.1171 -2.1166 -1.9444 -1.9443 -1.4384 -1.4382 5.5789 5.5790 5.9877 5.9878 7.9069 7.9073 8.0550 8.0562 k =-0.4701 0.5010 0.2468 ( 4037 PWs) bands (ev): -17.6573 -17.6573 -17.6234 -17.6234 -9.2151 -9.2151 -8.9985 -8.9984 -8.0059 -8.0058 -7.5966 -7.5965 -6.9212 -6.9209 -6.8677 -6.8675 -3.8254 -3.8252 -3.6665 -3.6663 -2.5046 -2.5043 -2.0731 -2.0727 -1.9691 -1.9691 -1.4631 -1.4628 5.5773 5.5774 5.9408 5.9409 7.9053 7.9057 8.0342 8.0352 k =-0.4701 0.5010 0.2605 ( 4037 PWs) bands (ev): -17.6555 -17.6555 -17.6251 -17.6251 -9.2078 -9.2078 -9.0144 -9.0142 -7.9868 -7.9867 -7.6197 -7.6196 -6.9111 -6.9109 -6.8655 -6.8653 -3.8201 -3.8199 -3.6843 -3.6841 -2.4750 -2.4748 -2.0302 -2.0298 -1.9948 -1.9948 -1.4886 -1.4884 5.5770 5.5771 5.8963 5.8965 7.9036 7.9041 8.0138 8.0148 k =-0.4701 0.5010 0.2742 ( 4033 PWs) bands (ev): -17.6536 -17.6536 -17.6268 -17.6268 -9.1998 -9.1998 -9.0300 -9.0299 -7.9669 -7.9668 -7.6432 -7.6431 -6.9019 -6.9017 -6.8635 -6.8634 -3.8148 -3.8146 -3.7003 -3.7002 -2.4450 -2.4447 -2.0215 -2.0215 -1.9883 -1.9879 -1.5151 -1.5148 5.5782 5.5783 5.8545 5.8547 7.9021 7.9026 7.9946 7.9955 k =-0.4701 0.5010 0.2879 ( 4037 PWs) bands (ev): -17.6517 -17.6517 -17.6285 -17.6285 -9.1914 -9.1913 -9.0453 -9.0452 -7.9463 -7.9462 -7.6670 -7.6669 -6.8936 -6.8934 -6.8619 -6.8618 -3.8096 -3.8094 -3.7148 -3.7147 -2.4144 -2.4142 -2.0490 -2.0489 -1.9475 -1.9471 -1.5425 -1.5422 5.5811 5.5813 5.8156 5.8157 7.9009 7.9014 7.9770 7.9779 k =-0.4701 0.5010 0.3016 ( 4038 PWs) bands (ev): -17.6498 -17.6498 -17.6304 -17.6304 -9.1823 -9.1823 -9.0603 -9.0602 -7.9251 -7.9250 -7.6910 -7.6910 -6.8862 -6.8860 -6.8607 -6.8606 -3.8044 -3.8042 -3.7278 -3.7277 -2.3835 -2.3833 -2.0772 -2.0772 -1.9078 -1.9075 -1.5708 -1.5705 5.5860 5.5861 5.7796 5.7797 7.9002 7.9007 7.9613 7.9620 k =-0.4701 0.5010 0.3153 ( 4036 PWs) bands (ev): -17.6478 -17.6478 -17.6322 -17.6322 -9.1727 -9.1726 -9.0749 -9.0748 -7.9034 -7.9032 -7.7152 -7.7151 -6.8798 -6.8796 -6.8599 -6.8599 -3.7990 -3.7989 -3.7394 -3.7393 -2.3523 -2.3521 -2.1062 -2.1061 -1.8693 -1.8689 -1.6000 -1.5997 5.5930 5.5931 5.7467 5.7468 7.9003 7.9008 7.9474 7.9482 k =-0.4701 0.5010 0.3290 ( 4036 PWs) bands (ev): -17.6459 -17.6459 -17.6341 -17.6341 -9.1624 -9.1624 -9.0890 -9.0889 -7.8810 -7.8809 -7.7394 -7.7393 -6.8743 -6.8742 -6.8598 -6.8597 -3.7935 -3.7934 -3.7497 -3.7497 -2.3210 -2.3208 -2.1357 -2.1357 -1.8319 -1.8315 -1.6301 -1.6298 5.6024 5.6025 5.7170 5.7171 7.9012 7.9017 7.9355 7.9362 k =-0.4701 0.5010 0.3427 ( 4030 PWs) bands (ev): -17.6439 -17.6439 -17.6360 -17.6360 -9.1516 -9.1516 -9.1026 -9.1025 -7.8582 -7.8581 -7.7635 -7.7634 -6.8697 -6.8696 -6.8602 -6.8602 -3.7877 -3.7876 -3.7590 -3.7589 -2.2896 -2.2895 -2.1658 -2.1657 -1.7956 -1.7953 -1.6612 -1.6609 5.6143 5.6144 5.6903 5.6904 7.9032 7.9037 7.9256 7.9263 k =-0.4701 0.5010 0.3564 ( 4026 PWs) bands (ev): -17.6419 -17.6419 -17.6380 -17.6380 -9.1402 -9.1402 -9.1157 -9.1156 -7.8350 -7.8349 -7.7875 -7.7875 -6.8661 -6.8660 -6.8614 -6.8613 -3.7814 -3.7814 -3.7672 -3.7672 -2.2584 -2.2582 -2.1963 -2.1962 -1.7604 -1.7601 -1.6933 -1.6929 5.6289 5.6290 5.6669 5.6669 7.9064 7.9070 7.9176 7.9182 k =-0.4701 0.5010 0.3701 ( 4024 PWs) bands (ev): -17.6399 -17.6399 -17.6399 -17.6399 -9.1284 -9.1284 -9.1280 -9.1280 -7.8119 -7.8119 -7.8108 -7.8108 -6.8636 -6.8636 -6.8630 -6.8630 -3.7747 -3.7747 -3.7745 -3.7745 -2.2273 -2.2273 -2.2270 -2.2270 -1.7264 -1.7264 -1.7259 -1.7259 5.6464 5.6464 5.6466 5.6466 7.9108 7.9108 7.9122 7.9122 k =-0.4701 0.5010 0.3701 ( 4024 PWs) bands (ev): -17.6399 -17.6399 -17.6399 -17.6399 -9.1284 -9.1284 -9.1280 -9.1280 -7.8119 -7.8119 -7.8108 -7.8108 -6.8636 -6.8636 -6.8630 -6.8630 -3.7747 -3.7747 -3.7745 -3.7745 -2.2273 -2.2273 -2.2270 -2.2270 -1.7264 -1.7264 -1.7259 -1.7259 5.6464 5.6464 5.6466 5.6466 7.9108 7.9108 7.9122 7.9122 k =-0.4775 0.4930 0.3701 ( 4024 PWs) bands (ev): -17.6396 -17.6396 -17.6396 -17.6396 -9.1286 -9.1286 -9.1284 -9.1284 -7.8128 -7.8128 -7.8120 -7.8120 -6.8645 -6.8645 -6.8640 -6.8640 -3.7745 -3.7745 -3.7743 -3.7743 -2.2238 -2.2238 -2.2235 -2.2235 -1.7299 -1.7299 -1.7295 -1.7295 5.6386 5.6386 5.6388 5.6388 7.9378 7.9378 7.9389 7.9389 k =-0.4850 0.4851 0.3701 ( 4024 PWs) bands (ev): -17.6394 -17.6394 -17.6394 -17.6394 -9.1288 -9.1288 -9.1286 -9.1286 -7.8134 -7.8134 -7.8129 -7.8129 -6.8651 -6.8651 -6.8648 -6.8648 -3.7743 -3.7743 -3.7742 -3.7742 -2.2212 -2.2212 -2.2210 -2.2210 -1.7324 -1.7324 -1.7322 -1.7322 5.6331 5.6331 5.6332 5.6332 7.9580 7.9580 7.9588 7.9588 k =-0.4925 0.4771 0.3701 ( 4024 PWs) bands (ev): -17.6392 -17.6392 -17.6392 -17.6392 -9.1289 -9.1289 -9.1288 -9.1288 -7.8138 -7.8138 -7.8135 -7.8135 -6.8655 -6.8655 -6.8653 -6.8653 -3.7742 -3.7742 -3.7741 -3.7741 -2.2196 -2.2196 -2.2196 -2.2196 -1.7340 -1.7340 -1.7338 -1.7338 5.6298 5.6298 5.6298 5.6298 7.9706 7.9706 7.9710 7.9710 k =-0.5000 0.4691 0.3701 ( 4028 PWs) bands (ev): -17.6392 -17.6392 -17.6392 -17.6392 -9.1289 -9.1289 -9.1289 -9.1289 -7.8138 -7.8138 -7.8138 -7.8138 -6.8656 -6.8656 -6.8656 -6.8656 -3.7741 -3.7741 -3.7741 -3.7741 -2.2191 -2.2191 -2.2191 -2.2191 -1.7344 -1.7344 -1.7344 -1.7344 5.6287 5.6287 5.6287 5.6287 7.9750 7.9750 7.9750 7.9750 k =-0.5000 0.4691 0.3701 ( 4028 PWs) bands (ev): -17.6392 -17.6392 -17.6392 -17.6392 -9.1289 -9.1289 -9.1289 -9.1289 -7.8138 -7.8138 -7.8138 -7.8138 -6.8656 -6.8656 -6.8656 -6.8656 -3.7741 -3.7741 -3.7741 -3.7741 -2.2191 -2.2191 -2.2191 -2.2191 -1.7344 -1.7344 -1.7344 -1.7344 5.6287 5.6287 5.6287 5.6287 7.9750 7.9750 7.9750 7.9750 k =-0.5000 0.4691 0.3564 ( 4026 PWs) bands (ev): -17.6411 -17.6411 -17.6373 -17.6373 -9.1411 -9.1411 -9.1161 -9.1161 -7.8375 -7.8375 -7.7898 -7.7898 -6.8680 -6.8680 -6.8639 -6.8639 -3.7804 -3.7804 -3.7672 -3.7672 -2.2506 -2.2506 -2.1878 -2.1878 -1.7687 -1.7687 -1.7012 -1.7012 5.6110 5.6110 5.6493 5.6493 7.9686 7.9686 7.9829 7.9829 k =-0.5000 0.4691 0.3427 ( 4026 PWs) bands (ev): -17.6430 -17.6430 -17.6354 -17.6354 -9.1527 -9.1527 -9.1028 -9.1028 -7.8609 -7.8609 -7.7657 -7.7657 -6.8714 -6.8714 -6.8629 -6.8629 -3.7862 -3.7862 -3.7594 -3.7594 -2.2822 -2.2822 -2.1569 -2.1569 -1.8040 -1.8040 -1.6690 -1.6690 5.5962 5.5962 5.6730 5.6730 7.9637 7.9637 7.9926 7.9926 k =-0.5000 0.4691 0.3290 ( 4034 PWs) bands (ev): -17.6450 -17.6450 -17.6335 -17.6335 -9.1638 -9.1638 -9.0890 -9.0890 -7.8838 -7.8838 -7.7414 -7.7414 -6.8756 -6.8756 -6.8627 -6.8627 -3.7916 -3.7916 -3.7507 -3.7507 -2.3139 -2.3139 -2.1265 -2.1265 -1.8405 -1.8405 -1.6378 -1.6378 5.5842 5.5842 5.6999 5.6999 7.9599 7.9599 8.0043 8.0043 k =-0.5000 0.4691 0.3153 ( 4034 PWs) bands (ev): -17.6469 -17.6469 -17.6317 -17.6317 -9.1742 -9.1742 -9.0746 -9.0746 -7.9063 -7.9063 -7.7171 -7.7171 -6.8808 -6.8808 -6.8631 -6.8631 -3.7967 -3.7967 -3.7408 -3.7408 -2.3456 -2.3456 -2.0965 -2.0965 -1.8781 -1.8781 -1.6076 -1.6076 5.5747 5.5747 5.7299 5.7299 7.9571 7.9571 8.0181 8.0181 k =-0.5000 0.4691 0.3016 ( 4034 PWs) bands (ev): -17.6488 -17.6488 -17.6299 -17.6299 -9.1841 -9.1841 -9.0598 -9.0598 -7.9282 -7.9282 -7.6929 -7.6929 -6.8869 -6.8869 -6.8640 -6.8640 -3.8016 -3.8016 -3.7297 -3.7297 -2.3771 -2.3771 -2.0672 -2.0672 -1.9168 -1.9168 -1.5783 -1.5783 5.5675 5.5675 5.7631 5.7631 7.9550 7.9550 8.0341 8.0341 k =-0.5000 0.4691 0.2879 ( 4038 PWs) bands (ev): -17.6507 -17.6507 -17.6281 -17.6281 -9.1934 -9.1934 -9.0446 -9.0446 -7.9496 -7.9496 -7.6688 -7.6688 -6.8940 -6.8940 -6.8653 -6.8653 -3.8065 -3.8065 -3.7172 -3.7172 -2.4083 -2.4083 -2.0387 -2.0387 -1.9567 -1.9567 -1.5499 -1.5499 5.5626 5.5626 5.7994 5.7994 7.9536 7.9536 8.0526 8.0526 k =-0.5000 0.4691 0.2742 ( 4046 PWs) bands (ev): -17.6525 -17.6525 -17.6264 -17.6264 -9.2020 -9.2020 -9.0290 -9.0290 -7.9703 -7.9703 -7.6449 -7.6449 -6.9020 -6.9020 -6.8671 -6.8671 -3.8113 -3.8113 -3.7032 -3.7032 -2.4391 -2.4391 -2.0109 -2.0109 -1.9977 -1.9977 -1.5224 -1.5224 5.5595 5.5595 5.8387 5.8387 7.9524 7.9524 8.0735 8.0735 k =-0.5000 0.4691 0.2605 ( 4042 PWs) bands (ev): -17.6543 -17.6543 -17.6247 -17.6247 -9.2102 -9.2102 -9.0131 -9.0131 -7.9903 -7.9903 -7.6213 -7.6213 -6.9109 -6.9109 -6.8691 -6.8691 -3.8162 -3.8162 -3.6875 -3.6875 -2.4695 -2.4695 -2.0400 -2.0400 -1.9839 -1.9839 -1.4957 -1.4957 5.5583 5.5583 5.8809 5.8809 7.9515 7.9515 8.0970 8.0970 k =-0.5000 0.4691 0.2468 ( 4042 PWs) bands (ev): -17.6561 -17.6561 -17.6231 -17.6231 -9.2177 -9.2177 -8.9970 -8.9970 -8.0096 -8.0096 -7.5981 -7.5981 -6.9207 -6.9207 -6.8714 -6.8714 -3.8213 -3.8213 -3.6702 -3.6702 -2.4992 -2.4992 -2.0833 -2.0833 -1.9579 -1.9579 -1.4700 -1.4700 5.5585 5.5585 5.9257 5.9257 7.9506 7.9506 8.1230 8.1230 k =-0.5000 0.4691 0.2330 ( 4034 PWs) bands (ev): -17.6578 -17.6578 -17.6216 -17.6216 -9.2247 -9.2247 -8.9808 -8.9808 -8.0280 -8.0280 -7.5755 -7.5755 -6.9313 -6.9313 -6.8739 -6.8739 -3.8264 -3.8264 -3.6510 -3.6510 -2.5282 -2.5282 -2.1276 -2.1276 -1.9328 -1.9328 -1.4452 -1.4452 5.5600 5.5600 5.9730 5.9730 7.9496 7.9496 8.1516 8.1516 k =-0.5000 0.4691 0.2193 ( 4030 PWs) bands (ev): -17.6594 -17.6594 -17.6201 -17.6201 -9.2312 -9.2312 -8.9644 -8.9644 -8.0456 -8.0456 -7.5534 -7.5534 -6.9425 -6.9425 -6.8765 -6.8765 -3.8316 -3.8316 -3.6300 -3.6300 -2.5563 -2.5563 -2.1729 -2.1729 -1.9088 -1.9088 -1.4214 -1.4214 5.5625 5.5625 6.0224 6.0224 7.9484 7.9484 8.1827 8.1827 k =-0.5000 0.4691 0.2056 ( 4038 PWs) bands (ev): -17.6610 -17.6610 -17.6187 -17.6187 -9.2372 -9.2372 -8.9482 -8.9482 -8.0624 -8.0624 -7.5320 -7.5320 -6.9544 -6.9544 -6.8791 -6.8791 -3.8369 -3.8369 -3.6071 -3.6071 -2.5835 -2.5835 -2.2192 -2.2192 -1.8860 -1.8860 -1.3985 -1.3985 5.5660 5.5660 6.0736 6.0736 7.9470 7.9470 8.2161 8.2161 k =-0.5000 0.4691 0.1919 ( 4028 PWs) bands (ev): -17.6625 -17.6625 -17.6173 -17.6173 -9.2427 -9.2427 -8.9320 -8.9320 -8.0782 -8.0782 -7.5115 -7.5115 -6.9667 -6.9667 -6.8818 -6.8818 -3.8424 -3.8424 -3.5823 -3.5823 -2.6095 -2.6095 -2.2662 -2.2662 -1.8643 -1.8643 -1.3767 -1.3767 5.5701 5.5701 6.1262 6.1262 7.9452 7.9452 8.2516 8.2516 k =-0.5000 0.4691 0.1782 ( 4026 PWs) bands (ev): -17.6640 -17.6640 -17.6161 -17.6161 -9.2477 -9.2477 -8.9161 -8.9161 -8.0931 -8.0931 -7.4918 -7.4918 -6.9792 -6.9792 -6.8845 -6.8845 -3.8478 -3.8478 -3.5556 -3.5556 -2.6344 -2.6344 -2.3139 -2.3139 -1.8440 -1.8440 -1.3560 -1.3560 5.5746 5.5746 6.1798 6.1798 7.9430 7.9430 8.2435 8.2435 k =-0.5000 0.4691 0.1645 ( 4022 PWs) bands (ev): -17.6653 -17.6653 -17.6149 -17.6149 -9.2522 -9.2522 -8.9006 -8.9006 -8.1071 -8.1071 -7.4731 -7.4731 -6.9920 -6.9920 -6.8870 -6.8870 -3.8533 -3.8533 -3.5271 -3.5271 -2.6580 -2.6580 -2.3623 -2.3623 -1.8248 -1.8248 -1.3364 -1.3364 5.5795 5.5795 6.2337 6.2337 7.9405 7.9405 8.2250 8.2250 k =-0.5000 0.4691 0.1508 ( 4018 PWs) bands (ev): -17.6666 -17.6666 -17.6138 -17.6138 -9.2563 -9.2563 -8.8856 -8.8856 -8.1200 -8.1200 -7.4555 -7.4555 -7.0047 -7.0047 -6.8895 -6.8895 -3.8587 -3.8587 -3.4969 -3.4969 -2.6802 -2.6802 -2.4110 -2.4110 -1.8071 -1.8071 -1.3180 -1.3180 5.5845 5.5845 6.2875 6.2875 7.9378 7.9378 8.2078 8.2078 k =-0.5000 0.4691 0.1371 ( 4028 PWs) bands (ev): -17.6678 -17.6678 -17.6128 -17.6128 -9.2600 -9.2600 -8.8713 -8.8713 -8.1318 -8.1318 -7.4391 -7.4391 -7.0172 -7.0172 -6.8919 -6.8919 -3.8639 -3.8639 -3.4650 -3.4650 -2.7008 -2.7008 -2.4600 -2.4600 -1.7907 -1.7907 -1.3010 -1.3010 5.5895 5.5895 6.3404 6.3404 7.9348 7.9348 8.1920 8.1920 k =-0.5000 0.4691 0.1234 ( 4038 PWs) bands (ev): -17.6689 -17.6689 -17.6118 -17.6118 -9.2633 -9.2633 -8.8577 -8.8577 -8.1427 -8.1427 -7.4240 -7.4240 -7.0293 -7.0293 -6.8941 -6.8941 -3.8690 -3.8690 -3.4317 -3.4317 -2.7199 -2.7199 -2.5090 -2.5090 -1.7759 -1.7759 -1.2853 -1.2853 5.5944 5.5944 6.3918 6.3918 7.9316 7.9316 8.1777 8.1777 k =-0.5000 0.4691 0.1097 ( 4056 PWs) bands (ev): -17.6699 -17.6699 -17.6110 -17.6110 -9.2662 -9.2662 -8.8451 -8.8451 -8.1524 -8.1524 -7.4102 -7.4102 -7.0408 -7.0408 -6.8961 -6.8961 -3.8737 -3.8737 -3.3972 -3.3972 -2.7372 -2.7372 -2.5577 -2.5577 -1.7624 -1.7624 -1.2711 -1.2711 5.5990 5.5990 6.4409 6.4409 7.9284 7.9284 8.1648 8.1648 k =-0.5000 0.4691 0.0960 ( 4056 PWs) bands (ev): -17.6708 -17.6708 -17.6103 -17.6103 -9.2687 -9.2687 -8.8336 -8.8336 -8.1610 -8.1610 -7.3978 -7.3978 -7.0514 -7.0514 -6.8979 -6.8979 -3.8781 -3.8781 -3.3617 -3.3617 -2.7527 -2.7527 -2.6058 -2.6058 -1.7505 -1.7505 -1.2583 -1.2583 5.6033 5.6033 6.4869 6.4869 7.9252 7.9252 8.1533 8.1533 k =-0.5000 0.4691 0.0823 ( 4048 PWs) bands (ev): -17.6715 -17.6715 -17.6096 -17.6096 -9.2708 -9.2708 -8.8232 -8.8232 -8.1686 -8.1686 -7.3869 -7.3869 -7.0611 -7.0611 -6.8994 -6.8994 -3.8820 -3.8820 -3.3256 -3.3256 -2.7662 -2.7662 -2.6528 -2.6528 -1.7400 -1.7400 -1.2471 -1.2471 5.6072 5.6072 6.5290 6.5290 7.9222 7.9222 8.1434 8.1434 k =-0.5000 0.4691 0.0685 ( 4042 PWs) bands (ev): -17.6722 -17.6722 -17.6091 -17.6091 -9.2726 -9.2726 -8.8142 -8.8142 -8.1749 -8.1749 -7.3775 -7.3775 -7.0697 -7.0697 -6.9008 -6.9008 -3.8855 -3.8855 -3.2897 -3.2897 -2.7779 -2.7779 -2.6980 -2.6980 -1.7311 -1.7311 -1.2374 -1.2374 5.6106 5.6106 6.5664 6.5664 7.9194 7.9194 8.1350 8.1350 k =-0.5000 0.4691 0.0548 ( 4046 PWs) bands (ev): -17.6727 -17.6727 -17.6086 -17.6086 -9.2741 -9.2741 -8.8066 -8.8066 -8.1802 -8.1802 -7.3698 -7.3698 -7.0769 -7.0769 -6.9019 -6.9019 -3.8884 -3.8884 -3.2549 -3.2549 -2.7875 -2.7875 -2.7405 -2.7405 -1.7238 -1.7238 -1.2295 -1.2295 5.6134 5.6134 6.5983 6.5983 7.9170 7.9170 8.1280 8.1280 k =-0.5000 0.4691 0.0411 ( 4052 PWs) bands (ev): -17.6731 -17.6731 -17.6083 -17.6083 -9.2752 -9.2752 -8.8006 -8.8006 -8.1843 -8.1843 -7.3638 -7.3638 -7.0827 -7.0827 -6.9028 -6.9028 -3.8907 -3.8907 -3.2227 -3.2227 -2.7950 -2.7950 -2.7787 -2.7787 -1.7182 -1.7182 -1.2233 -1.2233 5.6157 5.6157 6.6239 6.6239 7.9150 7.9150 8.1226 8.1226 k =-0.5000 0.4691 0.0274 ( 4050 PWs) bands (ev): -17.6734 -17.6734 -17.6080 -17.6080 -9.2760 -9.2760 -8.7963 -8.7963 -8.1872 -8.1872 -7.3594 -7.3594 -7.0869 -7.0869 -6.9034 -6.9034 -3.8924 -3.8924 -3.1955 -3.1955 -2.8103 -2.8103 -2.8004 -2.8004 -1.7141 -1.7141 -1.2188 -1.2188 5.6173 5.6173 6.6427 6.6427 7.9135 7.9135 8.1188 8.1188 k =-0.5000 0.4691 0.0137 ( 4042 PWs) bands (ev): -17.6736 -17.6736 -17.6079 -17.6079 -9.2764 -9.2764 -8.7936 -8.7936 -8.1889 -8.1889 -7.3568 -7.3568 -7.0895 -7.0895 -6.9038 -6.9038 -3.8934 -3.8934 -3.1766 -3.1766 -2.8317 -2.8317 -2.8037 -2.8037 -1.7116 -1.7116 -1.2161 -1.2161 5.6183 5.6183 6.6542 6.6542 7.9126 7.9126 8.1165 8.1165 k =-0.5000 0.4691 0.0000 ( 4042 PWs) bands (ev): -17.6737 -17.6737 -17.6078 -17.6078 -9.2766 -9.2766 -8.7927 -8.7927 -8.1895 -8.1895 -7.3559 -7.3559 -7.0903 -7.0903 -6.9039 -6.9039 -3.8938 -3.8938 -3.1697 -3.1697 -2.8395 -2.8395 -2.8048 -2.8048 -1.7108 -1.7108 -1.2152 -1.2152 5.6186 5.6186 6.6580 6.6580 7.9123 7.9123 8.1157 8.1157 k = 0.0000 0.0000 0.3701 ( 4012 PWs) bands (ev): -17.7287 -17.7287 -17.7287 -17.7287 -8.7756 -8.7756 -8.7756 -8.7756 -7.4252 -7.4252 -7.4252 -7.4252 -7.1255 -7.1255 -7.1255 -7.1255 -3.8867 -3.8867 -3.8867 -3.8867 -2.3581 -2.3581 -2.3581 -2.3581 -1.4161 -1.4161 -1.4161 -1.4161 4.9849 4.9849 4.9849 4.9849 7.0570 7.0570 7.0570 7.0570 k =-0.0100 0.0094 0.3701 ( 4028 PWs) bands (ev): -17.7287 -17.7287 -17.7287 -17.7287 -8.7764 -8.7764 -8.7763 -8.7763 -7.4257 -7.4257 -7.4257 -7.4257 -7.1248 -7.1248 -7.1247 -7.1247 -3.8867 -3.8867 -3.8866 -3.8866 -2.3579 -2.3579 -2.3579 -2.3579 -1.4167 -1.4167 -1.4167 -1.4167 4.9864 4.9864 4.9864 4.9864 7.0590 7.0590 7.0590 7.0590 k =-0.0200 0.0188 0.3701 ( 4022 PWs) bands (ev): -17.7284 -17.7284 -17.7284 -17.7284 -8.7784 -8.7784 -8.7784 -8.7784 -7.4269 -7.4269 -7.4269 -7.4269 -7.1225 -7.1225 -7.1223 -7.1223 -3.8866 -3.8866 -3.8865 -3.8865 -2.3574 -2.3574 -2.3574 -2.3574 -1.4184 -1.4184 -1.4184 -1.4184 4.9910 4.9910 4.9911 4.9911 7.0648 7.0648 7.0648 7.0648 k =-0.0300 0.0281 0.3701 ( 4024 PWs) bands (ev): -17.7279 -17.7279 -17.7279 -17.7279 -8.7818 -8.7818 -8.7818 -8.7818 -7.4290 -7.4290 -7.4290 -7.4290 -7.1187 -7.1187 -7.1184 -7.1184 -3.8864 -3.8864 -3.8862 -3.8862 -2.3566 -2.3566 -2.3566 -2.3566 -1.4213 -1.4213 -1.4213 -1.4213 4.9987 4.9987 4.9989 4.9989 7.0746 7.0746 7.0746 7.0746 k =-0.0400 0.0375 0.3701 ( 4024 PWs) bands (ev): -17.7273 -17.7273 -17.7273 -17.7273 -8.7865 -8.7865 -8.7864 -8.7864 -7.4318 -7.4318 -7.4318 -7.4318 -7.1134 -7.1134 -7.1131 -7.1131 -3.8861 -3.8861 -3.8858 -3.8858 -2.3554 -2.3554 -2.3554 -2.3554 -1.4252 -1.4252 -1.4252 -1.4252 5.0095 5.0095 5.0097 5.0097 7.0882 7.0882 7.0882 7.0882 k =-0.0500 0.0469 0.3701 ( 4026 PWs) bands (ev): -17.7265 -17.7265 -17.7265 -17.7265 -8.7925 -8.7925 -8.7923 -8.7923 -7.4355 -7.4355 -7.4355 -7.4355 -7.1068 -7.1068 -7.1064 -7.1064 -3.8857 -3.8857 -3.8853 -3.8853 -2.3540 -2.3540 -2.3540 -2.3540 -1.4302 -1.4302 -1.4302 -1.4302 5.0233 5.0233 5.0235 5.0235 7.1056 7.1056 7.1056 7.1056 k =-0.0600 0.0563 0.3701 ( 4034 PWs) bands (ev): -17.7256 -17.7256 -17.7256 -17.7256 -8.7995 -8.7995 -8.7994 -8.7994 -7.4400 -7.4400 -7.4400 -7.4400 -7.0988 -7.0988 -7.0984 -7.0984 -3.8851 -3.8851 -3.8848 -3.8848 -2.3522 -2.3522 -2.3522 -2.3522 -1.4362 -1.4362 -1.4362 -1.4362 5.0400 5.0400 5.0403 5.0403 7.1268 7.1268 7.1268 7.1268 k =-0.0700 0.0657 0.3701 ( 4038 PWs) bands (ev): -17.7244 -17.7244 -17.7244 -17.7244 -8.8077 -8.8077 -8.8075 -8.8075 -7.4452 -7.4452 -7.4452 -7.4452 -7.0897 -7.0897 -7.0892 -7.0892 -3.8845 -3.8845 -3.8841 -3.8841 -2.3501 -2.3501 -2.3501 -2.3501 -1.4432 -1.4432 -1.4432 -1.4432 5.0597 5.0597 5.0600 5.0600 7.1516 7.1516 7.1516 7.1516 k =-0.0800 0.0751 0.3701 ( 4038 PWs) bands (ev): -17.7231 -17.7231 -17.7231 -17.7231 -8.8168 -8.8168 -8.8165 -8.8165 -7.4512 -7.4512 -7.4512 -7.4512 -7.0795 -7.0795 -7.0790 -7.0790 -3.8838 -3.8838 -3.8833 -3.8833 -2.3478 -2.3478 -2.3478 -2.3478 -1.4510 -1.4510 -1.4510 -1.4510 5.0822 5.0822 5.0825 5.0825 7.1800 7.1800 7.1800 7.1800 k =-0.0900 0.0844 0.3701 ( 4038 PWs) bands (ev): -17.7217 -17.7217 -17.7217 -17.7217 -8.8267 -8.8267 -8.8265 -8.8265 -7.4578 -7.4578 -7.4578 -7.4578 -7.0684 -7.0684 -7.0678 -7.0678 -3.8830 -3.8830 -3.8824 -3.8824 -2.3451 -2.3451 -2.3451 -2.3451 -1.4597 -1.4597 -1.4596 -1.4596 5.1075 5.1075 5.1078 5.1078 7.2118 7.2118 7.2118 7.2118 k =-0.1000 0.0938 0.3701 ( 4042 PWs) bands (ev): -17.7201 -17.7201 -17.7201 -17.7201 -8.8374 -8.8374 -8.8372 -8.8372 -7.4652 -7.4652 -7.4652 -7.4652 -7.0566 -7.0566 -7.0559 -7.0559 -3.8820 -3.8820 -3.8815 -3.8815 -2.3422 -2.3422 -2.3422 -2.3422 -1.4690 -1.4690 -1.4690 -1.4690 5.1354 5.1354 5.1358 5.1358 7.2470 7.2470 7.2470 7.2470 k =-0.1100 0.1032 0.3701 ( 4032 PWs) bands (ev): -17.7183 -17.7183 -17.7183 -17.7183 -8.8488 -8.8488 -8.8485 -8.8485 -7.4731 -7.4731 -7.4731 -7.4731 -7.0440 -7.0440 -7.0433 -7.0433 -3.8810 -3.8810 -3.8804 -3.8804 -2.3391 -2.3391 -2.3391 -2.3391 -1.4790 -1.4790 -1.4789 -1.4789 5.1659 5.1659 5.1663 5.1663 7.2854 7.2854 7.2854 7.2854 k =-0.1200 0.1126 0.3701 ( 4032 PWs) bands (ev): -17.7164 -17.7164 -17.7164 -17.7164 -8.8607 -8.8607 -8.8604 -8.8604 -7.4817 -7.4817 -7.4817 -7.4817 -7.0311 -7.0311 -7.0303 -7.0303 -3.8798 -3.8798 -3.8792 -3.8792 -2.3357 -2.3357 -2.3357 -2.3357 -1.4896 -1.4896 -1.4895 -1.4895 5.1989 5.1989 5.1994 5.1994 7.3267 7.3267 7.3267 7.3267 k =-0.1300 0.1220 0.3701 ( 4032 PWs) bands (ev): -17.7144 -17.7144 -17.7144 -17.7144 -8.8730 -8.8730 -8.8727 -8.8727 -7.4908 -7.4908 -7.4908 -7.4908 -7.0177 -7.0177 -7.0169 -7.0169 -3.8785 -3.8785 -3.8779 -3.8779 -2.3322 -2.3322 -2.3322 -2.3322 -1.5006 -1.5006 -1.5004 -1.5004 5.2342 5.2342 5.2347 5.2347 7.3708 7.3708 7.3708 7.3708 k =-0.1400 0.1313 0.3701 ( 4040 PWs) bands (ev): -17.7123 -17.7123 -17.7123 -17.7123 -8.8856 -8.8856 -8.8853 -8.8853 -7.5005 -7.5005 -7.5005 -7.5005 -7.0042 -7.0042 -7.0034 -7.0034 -3.8771 -3.8771 -3.8764 -3.8764 -2.3285 -2.3285 -2.3285 -2.3285 -1.5120 -1.5120 -1.5118 -1.5118 5.2717 5.2717 5.2722 5.2722 7.4175 7.4175 7.4175 7.4175 k =-0.1500 0.1407 0.3701 ( 4040 PWs) bands (ev): -17.7101 -17.7101 -17.7101 -17.7101 -8.8984 -8.8984 -8.8981 -8.8981 -7.5106 -7.5106 -7.5106 -7.5106 -6.9907 -6.9907 -6.9898 -6.9898 -3.8756 -3.8756 -3.8749 -3.8749 -2.3246 -2.3246 -2.3246 -2.3246 -1.5236 -1.5236 -1.5234 -1.5234 5.3113 5.3113 5.3118 5.3118 7.4665 7.4665 7.4665 7.4665 k =-0.1600 0.1501 0.3701 ( 4048 PWs) bands (ev): -17.7077 -17.7077 -17.7077 -17.7077 -8.9113 -8.9113 -8.9110 -8.9110 -7.5211 -7.5211 -7.5211 -7.5211 -6.9772 -6.9772 -6.9763 -6.9763 -3.8740 -3.8740 -3.8732 -3.8732 -2.3206 -2.3206 -2.3206 -2.3206 -1.5354 -1.5354 -1.5352 -1.5352 5.3527 5.3527 5.3533 5.3533 7.5176 7.5176 7.5176 7.5176 k =-0.1700 0.1595 0.3701 ( 4052 PWs) bands (ev): -17.7053 -17.7053 -17.7053 -17.7053 -8.9243 -8.9243 -8.9240 -8.9240 -7.5321 -7.5321 -7.5321 -7.5321 -6.9640 -6.9640 -6.9631 -6.9631 -3.8722 -3.8722 -3.8714 -3.8714 -2.3164 -2.3164 -2.3164 -2.3164 -1.5474 -1.5474 -1.5471 -1.5471 5.3959 5.3959 5.3965 5.3965 7.5703 7.5703 7.5703 7.5703 k =-0.1800 0.1689 0.3701 ( 4052 PWs) bands (ev): -17.7028 -17.7028 -17.7028 -17.7028 -8.9372 -8.9372 -8.9369 -8.9369 -7.5433 -7.5433 -7.5433 -7.5433 -6.9511 -6.9511 -6.9501 -6.9501 -3.8702 -3.8702 -3.8695 -3.8695 -2.3122 -2.3122 -2.3122 -2.3122 -1.5593 -1.5593 -1.5590 -1.5590 5.4405 5.4405 5.4412 5.4412 7.5647 7.5647 7.5647 7.5647 k =-0.1900 0.1783 0.3701 ( 4052 PWs) bands (ev): -17.7002 -17.7002 -17.7002 -17.7002 -8.9499 -8.9499 -8.9496 -8.9496 -7.5548 -7.5548 -7.5548 -7.5548 -6.9386 -6.9386 -6.9377 -6.9377 -3.8681 -3.8681 -3.8674 -3.8674 -2.3079 -2.3079 -2.3079 -2.3079 -1.5711 -1.5711 -1.5708 -1.5708 5.4864 5.4864 5.4870 5.4870 7.5025 7.5025 7.5026 7.5026 k =-0.2000 0.1876 0.3701 ( 4054 PWs) bands (ev): -17.6975 -17.6975 -17.6975 -17.6975 -8.9624 -8.9624 -8.9621 -8.9621 -7.5666 -7.5666 -7.5666 -7.5666 -6.9267 -6.9267 -6.9257 -6.9257 -3.8658 -3.8658 -3.8651 -3.8651 -2.3035 -2.3035 -2.3035 -2.3035 -1.5828 -1.5828 -1.5825 -1.5825 5.5331 5.5331 5.5339 5.5339 7.4406 7.4406 7.4406 7.4406 k =-0.2100 0.1970 0.3701 ( 4054 PWs) bands (ev): -17.6948 -17.6948 -17.6948 -17.6948 -8.9747 -8.9747 -8.9744 -8.9744 -7.5786 -7.5786 -7.5786 -7.5786 -6.9154 -6.9154 -6.9145 -6.9145 -3.8634 -3.8634 -3.8627 -3.8627 -2.2991 -2.2991 -2.2991 -2.2991 -1.5943 -1.5943 -1.5939 -1.5939 5.5805 5.5805 5.5812 5.5812 7.3795 7.3795 7.3796 7.3796 k =-0.2200 0.2064 0.3701 ( 4058 PWs) bands (ev): -17.6921 -17.6921 -17.6921 -17.6921 -8.9866 -8.9866 -8.9863 -8.9863 -7.5907 -7.5907 -7.5906 -7.5906 -6.9049 -6.9049 -6.9039 -6.9039 -3.8607 -3.8607 -3.8601 -3.8601 -2.2947 -2.2947 -2.2947 -2.2947 -1.6054 -1.6054 -1.6050 -1.6050 5.6279 5.6279 5.6287 5.6287 7.3201 7.3201 7.3202 7.3202 k =-0.2300 0.2158 0.3701 ( 4056 PWs) bands (ev): -17.6893 -17.6893 -17.6893 -17.6893 -8.9981 -8.9981 -8.9978 -8.9978 -7.6028 -7.6028 -7.6028 -7.6028 -6.8951 -6.8951 -6.8941 -6.8941 -3.8579 -3.8579 -3.8573 -3.8573 -2.2903 -2.2903 -2.2903 -2.2903 -1.6163 -1.6163 -1.6158 -1.6158 5.6750 5.6750 5.6757 5.6757 7.2631 7.2631 7.2632 7.2632 k =-0.2400 0.2252 0.3701 ( 4054 PWs) bands (ev): -17.6865 -17.6865 -17.6865 -17.6865 -9.0092 -9.0092 -9.0089 -9.0089 -7.6150 -7.6150 -7.6150 -7.6150 -6.8861 -6.8861 -6.8852 -6.8852 -3.8550 -3.8550 -3.8543 -3.8543 -2.2859 -2.2859 -2.2859 -2.2859 -1.6267 -1.6267 -1.6262 -1.6262 5.7209 5.7209 5.7217 5.7217 7.2094 7.2094 7.2095 7.2095 k =-0.2500 0.2346 0.3701 ( 4050 PWs) bands (ev): -17.6837 -17.6837 -17.6837 -17.6837 -9.0199 -9.0199 -9.0196 -9.0196 -7.6272 -7.6272 -7.6272 -7.6272 -6.8781 -6.8781 -6.8772 -6.8772 -3.8518 -3.8518 -3.8512 -3.8512 -2.2815 -2.2815 -2.2815 -2.2815 -1.6367 -1.6367 -1.6361 -1.6361 5.7650 5.7650 5.7658 5.7658 7.1602 7.1602 7.1603 7.1603 k =-0.2600 0.2439 0.3701 ( 4058 PWs) bands (ev): -17.6809 -17.6809 -17.6809 -17.6809 -9.0300 -9.0300 -9.0297 -9.0297 -7.6394 -7.6394 -7.6394 -7.6394 -6.8709 -6.8709 -6.8700 -6.8700 -3.8485 -3.8485 -3.8479 -3.8479 -2.2772 -2.2772 -2.2772 -2.2772 -1.6462 -1.6462 -1.6456 -1.6456 5.8062 5.8062 5.8070 5.8070 7.1164 7.1164 7.1166 7.1166 k =-0.2700 0.2533 0.3701 ( 4050 PWs) bands (ev): -17.6780 -17.6780 -17.6780 -17.6780 -9.0396 -9.0396 -9.0393 -9.0393 -7.6514 -7.6514 -7.6514 -7.6514 -6.8647 -6.8647 -6.8638 -6.8638 -3.8449 -3.8449 -3.8444 -3.8444 -2.2730 -2.2730 -2.2730 -2.2730 -1.6552 -1.6552 -1.6546 -1.6546 5.8435 5.8435 5.8443 5.8443 7.0796 7.0796 7.0797 7.0797 k =-0.2800 0.2627 0.3701 ( 4046 PWs) bands (ev): -17.6753 -17.6753 -17.6753 -17.6753 -9.0487 -9.0487 -9.0484 -9.0484 -7.6633 -7.6633 -7.6633 -7.6633 -6.8593 -6.8593 -6.8584 -6.8584 -3.8413 -3.8413 -3.8408 -3.8408 -2.2688 -2.2688 -2.2688 -2.2688 -1.6636 -1.6636 -1.6630 -1.6630 5.8756 5.8756 5.8764 5.8764 7.0510 7.0510 7.0512 7.0512 k =-0.2900 0.2721 0.3701 ( 4042 PWs) bands (ev): -17.6725 -17.6725 -17.6725 -17.6725 -9.0572 -9.0572 -9.0569 -9.0569 -7.6749 -7.6749 -7.6749 -7.6749 -6.8549 -6.8549 -6.8540 -6.8540 -3.8375 -3.8375 -3.8371 -3.8371 -2.2648 -2.2648 -2.2648 -2.2648 -1.6716 -1.6716 -1.6709 -1.6709 5.9014 5.9014 5.9022 5.9022 7.0321 7.0321 7.0322 7.0322 k =-0.3000 0.2815 0.3701 ( 4034 PWs) bands (ev): -17.6698 -17.6698 -17.6698 -17.6698 -9.0652 -9.0652 -9.0649 -9.0649 -7.6864 -7.6864 -7.6864 -7.6864 -6.8513 -6.8513 -6.8505 -6.8505 -3.8335 -3.8335 -3.8332 -3.8332 -2.2608 -2.2608 -2.2608 -2.2608 -1.6789 -1.6789 -1.6783 -1.6783 5.9198 5.9198 5.9206 5.9206 7.0239 7.0239 7.0241 7.0241 k =-0.3100 0.2908 0.3701 ( 4026 PWs) bands (ev): -17.6672 -17.6672 -17.6672 -17.6672 -9.0726 -9.0726 -9.0723 -9.0723 -7.6975 -7.6975 -7.6975 -7.6975 -6.8485 -6.8485 -6.8478 -6.8478 -3.8295 -3.8295 -3.8292 -3.8292 -2.2570 -2.2570 -2.2570 -2.2570 -1.6858 -1.6858 -1.6851 -1.6851 5.9301 5.9301 5.9309 5.9309 7.0273 7.0273 7.0275 7.0275 k =-0.3200 0.3002 0.3701 ( 4030 PWs) bands (ev): -17.6646 -17.6646 -17.6646 -17.6646 -9.0795 -9.0795 -9.0792 -9.0792 -7.7083 -7.7083 -7.7083 -7.7083 -6.8466 -6.8466 -6.8459 -6.8459 -3.8254 -3.8254 -3.8251 -3.8251 -2.2533 -2.2533 -2.2533 -2.2533 -1.6920 -1.6920 -1.6913 -1.6913 5.9324 5.9324 5.9331 5.9331 7.0424 7.0424 7.0427 7.0427 k =-0.3300 0.3096 0.3701 ( 4050 PWs) bands (ev): -17.6622 -17.6622 -17.6622 -17.6622 -9.0858 -9.0858 -9.0856 -9.0856 -7.7189 -7.7189 -7.7189 -7.7189 -6.8455 -6.8455 -6.8448 -6.8448 -3.8213 -3.8213 -3.8210 -3.8210 -2.2498 -2.2498 -2.2498 -2.2498 -1.6978 -1.6978 -1.6971 -1.6971 5.9270 5.9270 5.9277 5.9277 7.0688 7.0688 7.0691 7.0691 k =-0.3400 0.3190 0.3701 ( 4046 PWs) bands (ev): -17.6598 -17.6598 -17.6597 -17.6597 -9.0916 -9.0916 -9.0914 -9.0914 -7.7289 -7.7289 -7.7289 -7.7289 -6.8449 -6.8449 -6.8443 -6.8443 -3.8171 -3.8171 -3.8169 -3.8169 -2.2465 -2.2465 -2.2465 -2.2465 -1.7030 -1.7030 -1.7023 -1.7023 5.9150 5.9150 5.9157 5.9157 7.1055 7.1055 7.1059 7.1059 k =-0.3500 0.3284 0.3701 ( 4046 PWs) bands (ev): -17.6574 -17.6574 -17.6574 -17.6574 -9.0969 -9.0969 -9.0967 -9.0967 -7.7386 -7.7386 -7.7386 -7.7386 -6.8450 -6.8450 -6.8444 -6.8444 -3.8129 -3.8129 -3.8127 -3.8127 -2.2433 -2.2433 -2.2433 -2.2433 -1.7077 -1.7077 -1.7070 -1.7070 5.8977 5.8977 5.8983 5.8983 7.1513 7.1513 7.1516 7.1516 k =-0.3600 0.3378 0.3701 ( 4042 PWs) bands (ev): -17.6552 -17.6552 -17.6552 -17.6552 -9.1017 -9.1017 -9.1015 -9.1015 -7.7478 -7.7478 -7.7478 -7.7478 -6.8456 -6.8456 -6.8451 -6.8451 -3.8087 -3.8087 -3.8086 -3.8086 -2.2403 -2.2403 -2.2403 -2.2403 -1.7119 -1.7119 -1.7112 -1.7112 5.8763 5.8763 5.8769 5.8769 7.2047 7.2047 7.2050 7.2050 k =-0.3700 0.3471 0.3701 ( 4048 PWs) bands (ev): -17.6532 -17.6532 -17.6532 -17.6532 -9.1060 -9.1060 -9.1058 -9.1058 -7.7564 -7.7564 -7.7564 -7.7564 -6.8467 -6.8467 -6.8462 -6.8462 -3.8047 -3.8047 -3.8046 -3.8046 -2.2374 -2.2374 -2.2374 -2.2374 -1.7157 -1.7157 -1.7150 -1.7150 5.8523 5.8523 5.8528 5.8528 7.2642 7.2642 7.2646 7.2646 k =-0.3800 0.3565 0.3701 ( 4050 PWs) bands (ev): -17.6512 -17.6512 -17.6512 -17.6512 -9.1098 -9.1098 -9.1097 -9.1097 -7.7646 -7.7646 -7.7646 -7.7646 -6.8481 -6.8481 -6.8476 -6.8476 -3.8008 -3.8008 -3.8007 -3.8007 -2.2348 -2.2348 -2.2348 -2.2348 -1.7190 -1.7190 -1.7183 -1.7183 5.8266 5.8266 5.8271 5.8271 7.3286 7.3286 7.3289 7.3289 k =-0.3900 0.3659 0.3701 ( 4038 PWs) bands (ev): -17.6493 -17.6493 -17.6493 -17.6493 -9.1132 -9.1132 -9.1131 -9.1131 -7.7722 -7.7722 -7.7722 -7.7722 -6.8498 -6.8498 -6.8494 -6.8494 -3.7969 -3.7969 -3.7969 -3.7969 -2.2323 -2.2323 -2.2323 -2.2323 -1.7219 -1.7219 -1.7213 -1.7213 5.8005 5.8005 5.8009 5.8009 7.3965 7.3965 7.3969 7.3969 k =-0.4000 0.3753 0.3701 ( 4030 PWs) bands (ev): -17.6476 -17.6476 -17.6476 -17.6476 -9.1162 -9.1162 -9.1161 -9.1161 -7.7792 -7.7792 -7.7792 -7.7792 -6.8517 -6.8517 -6.8513 -6.8513 -3.7933 -3.7933 -3.7933 -3.7933 -2.2300 -2.2300 -2.2300 -2.2300 -1.7244 -1.7244 -1.7238 -1.7238 5.7746 5.7746 5.7750 5.7750 7.4667 7.4667 7.4671 7.4671 k =-0.4100 0.3847 0.3701 ( 4030 PWs) bands (ev): -17.6461 -17.6461 -17.6461 -17.6461 -9.1189 -9.1189 -9.1187 -9.1187 -7.7856 -7.7856 -7.7856 -7.7856 -6.8537 -6.8537 -6.8533 -6.8533 -3.7899 -3.7899 -3.7899 -3.7899 -2.2280 -2.2280 -2.2280 -2.2280 -1.7266 -1.7266 -1.7260 -1.7260 5.7496 5.7496 5.7499 5.7499 7.5381 7.5381 7.5385 7.5385 k =-0.4200 0.3940 0.3701 ( 4022 PWs) bands (ev): -17.6446 -17.6446 -17.6446 -17.6446 -9.1211 -9.1211 -9.1210 -9.1210 -7.7915 -7.7915 -7.7915 -7.7915 -6.8558 -6.8558 -6.8554 -6.8554 -3.7868 -3.7868 -3.7868 -3.7868 -2.2261 -2.2261 -2.2261 -2.2261 -1.7284 -1.7284 -1.7279 -1.7279 5.7260 5.7260 5.7264 5.7264 7.6093 7.6093 7.6097 7.6097 k =-0.4300 0.4034 0.3701 ( 4018 PWs) bands (ev): -17.6434 -17.6434 -17.6434 -17.6434 -9.1230 -9.1230 -9.1229 -9.1229 -7.7966 -7.7966 -7.7966 -7.7966 -6.8578 -6.8578 -6.8575 -6.8575 -3.7840 -3.7840 -3.7840 -3.7840 -2.2244 -2.2244 -2.2244 -2.2244 -1.7300 -1.7300 -1.7295 -1.7295 5.7044 5.7044 5.7047 5.7047 7.6791 7.6791 7.6795 7.6795 k =-0.4400 0.4128 0.3701 ( 4018 PWs) bands (ev): -17.6423 -17.6423 -17.6423 -17.6423 -9.1247 -9.1247 -9.1246 -9.1246 -7.8011 -7.8011 -7.8011 -7.8011 -6.8596 -6.8596 -6.8594 -6.8594 -3.7815 -3.7815 -3.7814 -3.7814 -2.2230 -2.2230 -2.2230 -2.2230 -1.7313 -1.7313 -1.7309 -1.7309 5.6850 5.6850 5.6853 5.6853 7.7459 7.7459 7.7462 7.7462 k =-0.4500 0.4222 0.3701 ( 4014 PWs) bands (ev): -17.6413 -17.6413 -17.6413 -17.6413 -9.1260 -9.1260 -9.1259 -9.1259 -7.8050 -7.8050 -7.8050 -7.8050 -6.8613 -6.8613 -6.8611 -6.8611 -3.7793 -3.7793 -3.7792 -3.7792 -2.2218 -2.2218 -2.2218 -2.2218 -1.7323 -1.7323 -1.7319 -1.7319 5.6682 5.6682 5.6684 5.6684 7.8080 7.8080 7.8082 7.8082 k =-0.4600 0.4316 0.3701 ( 4014 PWs) bands (ev): -17.6406 -17.6406 -17.6406 -17.6406 -9.1270 -9.1270 -9.1270 -9.1270 -7.8081 -7.8081 -7.8081 -7.8081 -6.8628 -6.8628 -6.8626 -6.8626 -3.7774 -3.7774 -3.7774 -3.7774 -2.2208 -2.2208 -2.2208 -2.2208 -1.7331 -1.7331 -1.7328 -1.7328 5.6542 5.6542 5.6544 5.6544 7.8633 7.8633 7.8636 7.8636 k =-0.4700 0.4410 0.3701 ( 4012 PWs) bands (ev): -17.6400 -17.6400 -17.6400 -17.6400 -9.1279 -9.1279 -9.1278 -9.1278 -7.8106 -7.8106 -7.8106 -7.8106 -6.8640 -6.8640 -6.8639 -6.8639 -3.7760 -3.7760 -3.7760 -3.7760 -2.2200 -2.2200 -2.2200 -2.2200 -1.7337 -1.7337 -1.7335 -1.7335 5.6431 5.6431 5.6432 5.6432 7.9098 7.9098 7.9100 7.9100 k =-0.4800 0.4503 0.3701 ( 4016 PWs) bands (ev): -17.6395 -17.6395 -17.6395 -17.6395 -9.1284 -9.1284 -9.1284 -9.1284 -7.8124 -7.8124 -7.8124 -7.8124 -6.8649 -6.8649 -6.8648 -6.8648 -3.7750 -3.7750 -3.7750 -3.7750 -2.2195 -2.2195 -2.2195 -2.2195 -1.7341 -1.7341 -1.7340 -1.7340 5.6351 5.6351 5.6352 5.6352 7.9452 7.9452 7.9453 7.9453 k =-0.4900 0.4597 0.3701 ( 4022 PWs) bands (ev): -17.6393 -17.6393 -17.6393 -17.6393 -9.1288 -9.1288 -9.1288 -9.1288 -7.8134 -7.8134 -7.8134 -7.8134 -6.8654 -6.8654 -6.8653 -6.8653 -3.7743 -3.7743 -3.7743 -3.7743 -2.2192 -2.2192 -2.2192 -2.2192 -1.7344 -1.7344 -1.7343 -1.7343 5.6303 5.6303 5.6303 5.6303 7.9674 7.9674 7.9674 7.9674 k =-0.5000 0.4691 0.3701 ( 4028 PWs) bands (ev): -17.6392 -17.6392 -17.6392 -17.6392 -9.1289 -9.1289 -9.1289 -9.1289 -7.8138 -7.8138 -7.8138 -7.8138 -6.8656 -6.8656 -6.8656 -6.8656 -3.7741 -3.7741 -3.7741 -3.7741 -2.2191 -2.2191 -2.2191 -2.2191 -1.7344 -1.7344 -1.7344 -1.7344 5.6287 5.6287 5.6287 5.6287 7.9750 7.9750 7.9750 7.9750 Writing output data file BH6N.save init_run : 0.50s CPU 0.32s WALL ( 1 calls) electrons : 254.39s CPU 145.42s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.17s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 254.39s CPU 145.41s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.07s CPU 0.04s WALL ( 1 calls) newd : 0.03s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.18s CPU 0.36s WALL ( 396 calls) cegterg : 226.34s CPU 128.65s WALL ( 483 calls) Called by sum_band: Called by *egterg: h_psi : 137.76s CPU 76.92s WALL ( 8238 calls) s_psi : 3.88s CPU 2.05s WALL ( 8238 calls) g_psi : 0.36s CPU 0.19s WALL ( 7359 calls) cdiaghg : 83.88s CPU 48.84s WALL ( 7755 calls) cegterg:over : 9.36s CPU 5.15s WALL ( 7359 calls) cegterg:upda : 7.13s CPU 4.11s WALL ( 7359 calls) cegterg:last : 3.69s CPU 2.15s WALL ( 1275 calls) cdiaghg:chol : 4.31s CPU 2.60s WALL ( 7755 calls) cdiaghg:inve : 2.03s CPU 1.30s WALL ( 7755 calls) cdiaghg:para : 4.39s CPU 2.63s WALL ( 15510 calls) Called by h_psi: h_psi:vloc : 126.84s CPU 70.62s WALL ( 8238 calls) h_psi:vnl : 10.62s CPU 6.12s WALL ( 8238 calls) add_vuspsi : 4.81s CPU 2.68s WALL ( 8238 calls) General routines calbec : 5.74s CPU 3.41s WALL ( 8238 calls) fft : 0.04s CPU 0.02s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 119.24s CPU 66.35s WALL ( 642252 calls) interpolate : 0.03s CPU 0.01s WALL ( 4 calls) davcio : 0.56s CPU 0.72s WALL ( 792 calls) Parallel routines fft_scatter : 56.88s CPU 31.88s WALL ( 642275 calls) PWSCF : 4m28.10s CPU 2m52.16s WALL This run was terminated on: 1:54: 8 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=