Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 5:46: 9 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./K3Rh.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 62 37 10 5406 2533 362 Max 63 38 11 5415 2556 371 Sum 4483 2713 745 389621 183269 26333 bravais-lattice index = 14 lattice parameter (alat) = 13.3604 a.u. unit-cell volume = 3322.9008 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 55.0000 Ry charge density cutoff = 364.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.360363 celldm(2)= 1.000000 celldm(3)= 1.608911 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.608911 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.621538 ) PseudoPot. # 1 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Rh read from file: /users/gautes/Pseudo/Rh.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 05b2c48bcc7a2cf2a48258d60087199c Pseudo is Ultrasoft + core correction, Zval = 17.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1233 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential K 9.00 39.09830 K( 1.00) Rh 17.00 102.90550 Rh( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 193 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051813 k( 2) = ( 0.0192308 0.0111029 -0.0000000), wk = 0.0051813 k( 3) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0051813 k( 4) = ( 0.0576923 0.0333087 -0.0000000), wk = 0.0051813 k( 5) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0051813 k( 6) = ( 0.0961538 0.0555145 -0.0000000), wk = 0.0051813 k( 7) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0051813 k( 8) = ( 0.1346154 0.0777202 -0.0000000), wk = 0.0051813 k( 9) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0051813 k( 10) = ( 0.1730769 0.0999260 -0.0000000), wk = 0.0051813 k( 11) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0051813 k( 12) = ( 0.2115385 0.1221318 -0.0000000), wk = 0.0051813 k( 13) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0051813 k( 14) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0051813 k( 15) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0051813 k( 16) = ( 0.2884615 0.1665433 -0.0000000), wk = 0.0051813 k( 17) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0051813 k( 18) = ( 0.3269231 0.1887491 -0.0000000), wk = 0.0051813 k( 19) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0051813 k( 20) = ( 0.3653846 0.2109549 -0.0000000), wk = 0.0051813 k( 21) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0051813 k( 22) = ( 0.4038462 0.2331607 -0.0000000), wk = 0.0051813 k( 23) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0051813 k( 24) = ( 0.4423077 0.2553665 -0.0000000), wk = 0.0051813 k( 25) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0051813 k( 26) = ( 0.4807692 0.2775722 -0.0000000), wk = 0.0051813 k( 27) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0051813 k( 28) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0051813 k( 29) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0051813 k( 30) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0051813 k( 31) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0051813 k( 32) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0051813 k( 33) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0051813 k( 34) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0051813 k( 35) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0051813 k( 36) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0051813 k( 37) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0051813 k( 38) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0051813 k( 39) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0051813 k( 40) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0051813 k( 41) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0051813 k( 42) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0051813 k( 43) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0051813 k( 44) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0051813 k( 45) = ( 0.3222222 0.5581053 -0.0000000), wk = 0.0051813 k( 46) = ( 0.3111111 0.5388602 -0.0000000), wk = 0.0051813 k( 47) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0051813 k( 48) = ( 0.2888889 0.5003702 -0.0000000), wk = 0.0051813 k( 49) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0051813 k( 50) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0051813 k( 51) = ( 0.2555556 0.4426352 -0.0000000), wk = 0.0051813 k( 52) = ( 0.2444444 0.4233902 -0.0000000), wk = 0.0051813 k( 53) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0051813 k( 54) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0051813 k( 55) = ( 0.2111111 0.3656552 -0.0000000), wk = 0.0051813 k( 56) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0051813 k( 57) = ( 0.1888889 0.3271652 -0.0000000), wk = 0.0051813 k( 58) = ( 0.1777778 0.3079201 -0.0000000), wk = 0.0051813 k( 59) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0051813 k( 60) = ( 0.1555556 0.2694301 -0.0000000), wk = 0.0051813 k( 61) = ( 0.1444444 0.2501851 -0.0000000), wk = 0.0051813 k( 62) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0051813 k( 63) = ( 0.1222222 0.2116951 -0.0000000), wk = 0.0051813 k( 64) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0051813 k( 65) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0051813 k( 66) = ( 0.0888889 0.1539601 -0.0000000), wk = 0.0051813 k( 67) = ( 0.0777778 0.1347151 -0.0000000), wk = 0.0051813 k( 68) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0051813 k( 69) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0051813 k( 70) = ( 0.0444444 0.0769800 -0.0000000), wk = 0.0051813 k( 71) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0051813 k( 72) = ( 0.0222222 0.0384900 -0.0000000), wk = 0.0051813 k( 73) = ( 0.0111111 0.0192450 -0.0000000), wk = 0.0051813 k( 74) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051813 k( 75) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051813 k( 76) = ( 0.0000000 0.0000000 0.0221978), wk = 0.0051813 k( 77) = ( 0.0000000 0.0000000 0.0443956), wk = 0.0051813 k( 78) = ( 0.0000000 0.0000000 0.0665934), wk = 0.0051813 k( 79) = ( 0.0000000 0.0000000 0.0887912), wk = 0.0051813 k( 80) = ( 0.0000000 0.0000000 0.1109890), wk = 0.0051813 k( 81) = ( 0.0000000 0.0000000 0.1331868), wk = 0.0051813 k( 82) = ( 0.0000000 0.0000000 0.1553846), wk = 0.0051813 k( 83) = ( 0.0000000 0.0000000 0.1775824), wk = 0.0051813 k( 84) = ( 0.0000000 0.0000000 0.1997802), wk = 0.0051813 k( 85) = ( 0.0000000 0.0000000 0.2219780), wk = 0.0051813 k( 86) = ( 0.0000000 0.0000000 0.2441758), wk = 0.0051813 k( 87) = ( 0.0000000 0.0000000 0.2663736), wk = 0.0051813 k( 88) = ( 0.0000000 0.0000000 0.2885714), wk = 0.0051813 k( 89) = ( 0.0000000 0.0000000 0.3107692), wk = 0.0051813 k( 90) = ( 0.0000000 0.0000000 0.3107692), wk = 0.0051813 k( 91) = ( 0.0192308 0.0111029 0.3107692), wk = 0.0051813 k( 92) = ( 0.0384615 0.0222058 0.3107692), wk = 0.0051813 k( 93) = ( 0.0576923 0.0333087 0.3107692), wk = 0.0051813 k( 94) = ( 0.0769231 0.0444116 0.3107692), wk = 0.0051813 k( 95) = ( 0.0961538 0.0555145 0.3107692), wk = 0.0051813 k( 96) = ( 0.1153846 0.0666173 0.3107692), wk = 0.0051813 k( 97) = ( 0.1346154 0.0777202 0.3107692), wk = 0.0051813 k( 98) = ( 0.1538461 0.0888231 0.3107692), wk = 0.0051813 k( 99) = ( 0.1730769 0.0999260 0.3107692), wk = 0.0051813 k( 100) = ( 0.1923077 0.1110289 0.3107692), wk = 0.0051813 k( 101) = ( 0.2115385 0.1221318 0.3107692), wk = 0.0051813 k( 102) = ( 0.2307692 0.1332347 0.3107692), wk = 0.0051813 k( 103) = ( 0.2500000 0.1443376 0.3107692), wk = 0.0051813 k( 104) = ( 0.2692308 0.1554405 0.3107692), wk = 0.0051813 k( 105) = ( 0.2884615 0.1665433 0.3107692), wk = 0.0051813 k( 106) = ( 0.3076923 0.1776462 0.3107692), wk = 0.0051813 k( 107) = ( 0.3269231 0.1887491 0.3107692), wk = 0.0051813 k( 108) = ( 0.3461538 0.1998520 0.3107692), wk = 0.0051813 k( 109) = ( 0.3653846 0.2109549 0.3107692), wk = 0.0051813 k( 110) = ( 0.3846154 0.2220578 0.3107692), wk = 0.0051813 k( 111) = ( 0.4038462 0.2331607 0.3107692), wk = 0.0051813 k( 112) = ( 0.4230769 0.2442636 0.3107692), wk = 0.0051813 k( 113) = ( 0.4423077 0.2553665 0.3107692), wk = 0.0051813 k( 114) = ( 0.4615385 0.2664694 0.3107692), wk = 0.0051813 k( 115) = ( 0.4807692 0.2775722 0.3107692), wk = 0.0051813 k( 116) = ( 0.5000000 0.2886751 0.3107692), wk = 0.0051813 k( 117) = ( 0.5000000 0.2886751 0.3107692), wk = 0.0051813 k( 118) = ( 0.4888889 0.3079201 0.3107692), wk = 0.0051813 k( 119) = ( 0.4777778 0.3271651 0.3107692), wk = 0.0051813 k( 120) = ( 0.4666667 0.3464102 0.3107692), wk = 0.0051813 k( 121) = ( 0.4555556 0.3656552 0.3107692), wk = 0.0051813 k( 122) = ( 0.4444444 0.3849002 0.3107692), wk = 0.0051813 k( 123) = ( 0.4333333 0.4041452 0.3107692), wk = 0.0051813 k( 124) = ( 0.4222222 0.4233902 0.3107692), wk = 0.0051813 k( 125) = ( 0.4111111 0.4426352 0.3107692), wk = 0.0051813 k( 126) = ( 0.4000000 0.4618802 0.3107692), wk = 0.0051813 k( 127) = ( 0.3888889 0.4811252 0.3107692), wk = 0.0051813 k( 128) = ( 0.3777778 0.5003702 0.3107692), wk = 0.0051813 k( 129) = ( 0.3666667 0.5196152 0.3107692), wk = 0.0051813 k( 130) = ( 0.3555556 0.5388603 0.3107692), wk = 0.0051813 k( 131) = ( 0.3444444 0.5581053 0.3107692), wk = 0.0051813 k( 132) = ( 0.3333333 0.5773503 0.3107692), wk = 0.0051813 k( 133) = ( 0.3333333 0.5773503 0.3107692), wk = 0.0051813 k( 134) = ( 0.3222222 0.5581053 0.3107692), wk = 0.0051813 k( 135) = ( 0.3111111 0.5388602 0.3107692), wk = 0.0051813 k( 136) = ( 0.3000000 0.5196152 0.3107692), wk = 0.0051813 k( 137) = ( 0.2888889 0.5003702 0.3107692), wk = 0.0051813 k( 138) = ( 0.2777778 0.4811252 0.3107692), wk = 0.0051813 k( 139) = ( 0.2666667 0.4618802 0.3107692), wk = 0.0051813 k( 140) = ( 0.2555556 0.4426352 0.3107692), wk = 0.0051813 k( 141) = ( 0.2444444 0.4233902 0.3107692), wk = 0.0051813 k( 142) = ( 0.2333333 0.4041452 0.3107692), wk = 0.0051813 k( 143) = ( 0.2222222 0.3849002 0.3107692), wk = 0.0051813 k( 144) = ( 0.2111111 0.3656552 0.3107692), wk = 0.0051813 k( 145) = ( 0.2000000 0.3464102 0.3107692), wk = 0.0051813 k( 146) = ( 0.1888889 0.3271652 0.3107692), wk = 0.0051813 k( 147) = ( 0.1777778 0.3079201 0.3107692), wk = 0.0051813 k( 148) = ( 0.1666667 0.2886751 0.3107692), wk = 0.0051813 k( 149) = ( 0.1555556 0.2694301 0.3107692), wk = 0.0051813 k( 150) = ( 0.1444444 0.2501851 0.3107692), wk = 0.0051813 k( 151) = ( 0.1333333 0.2309401 0.3107692), wk = 0.0051813 k( 152) = ( 0.1222222 0.2116951 0.3107692), wk = 0.0051813 k( 153) = ( 0.1111111 0.1924501 0.3107692), wk = 0.0051813 k( 154) = ( 0.1000000 0.1732051 0.3107692), wk = 0.0051813 k( 155) = ( 0.0888889 0.1539601 0.3107692), wk = 0.0051813 k( 156) = ( 0.0777778 0.1347151 0.3107692), wk = 0.0051813 k( 157) = ( 0.0666667 0.1154701 0.3107692), wk = 0.0051813 k( 158) = ( 0.0555556 0.0962251 0.3107692), wk = 0.0051813 k( 159) = ( 0.0444444 0.0769800 0.3107692), wk = 0.0051813 k( 160) = ( 0.0333333 0.0577350 0.3107692), wk = 0.0051813 k( 161) = ( 0.0222222 0.0384900 0.3107692), wk = 0.0051813 k( 162) = ( 0.0111111 0.0192450 0.3107692), wk = 0.0051813 k( 163) = ( 0.0000000 0.0000000 0.3107692), wk = 0.0051813 k( 164) = ( 0.5000000 0.2886751 0.3107692), wk = 0.0051813 k( 165) = ( 0.5000000 0.2886751 0.2885714), wk = 0.0051813 k( 166) = ( 0.5000000 0.2886751 0.2663736), wk = 0.0051813 k( 167) = ( 0.5000000 0.2886751 0.2441758), wk = 0.0051813 k( 168) = ( 0.5000000 0.2886751 0.2219780), wk = 0.0051813 k( 169) = ( 0.5000000 0.2886751 0.1997802), wk = 0.0051813 k( 170) = ( 0.5000000 0.2886751 0.1775824), wk = 0.0051813 k( 171) = ( 0.5000000 0.2886751 0.1553846), wk = 0.0051813 k( 172) = ( 0.5000000 0.2886751 0.1331868), wk = 0.0051813 k( 173) = ( 0.5000000 0.2886751 0.1109890), wk = 0.0051813 k( 174) = ( 0.5000000 0.2886751 0.0887912), wk = 0.0051813 k( 175) = ( 0.5000000 0.2886751 0.0665934), wk = 0.0051813 k( 176) = ( 0.5000000 0.2886751 0.0443956), wk = 0.0051813 k( 177) = ( 0.5000000 0.2886751 0.0221978), wk = 0.0051813 k( 178) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0051813 k( 179) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0051813 k( 180) = ( 0.3333333 0.5773503 0.0221978), wk = 0.0051813 k( 181) = ( 0.3333333 0.5773503 0.0443956), wk = 0.0051813 k( 182) = ( 0.3333333 0.5773503 0.0665934), wk = 0.0051813 k( 183) = ( 0.3333333 0.5773503 0.0887912), wk = 0.0051813 k( 184) = ( 0.3333333 0.5773503 0.1109890), wk = 0.0051813 k( 185) = ( 0.3333333 0.5773503 0.1331868), wk = 0.0051813 k( 186) = ( 0.3333333 0.5773503 0.1553846), wk = 0.0051813 k( 187) = ( 0.3333333 0.5773503 0.1775824), wk = 0.0051813 k( 188) = ( 0.3333333 0.5773503 0.1997802), wk = 0.0051813 k( 189) = ( 0.3333333 0.5773503 0.2219780), wk = 0.0051813 k( 190) = ( 0.3333333 0.5773503 0.2441758), wk = 0.0051813 k( 191) = ( 0.3333333 0.5773503 0.2663736), wk = 0.0051813 k( 192) = ( 0.3333333 0.5773503 0.2885714), wk = 0.0051813 k( 193) = ( 0.3333333 0.5773503 0.3107692), wk = 0.0051813 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051813 k( 2) = ( 0.0192308 0.0000000 0.0000000), wk = 0.0051813 k( 3) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0051813 k( 4) = ( 0.0576923 0.0000000 0.0000000), wk = 0.0051813 k( 5) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0051813 k( 6) = ( 0.0961538 -0.0000000 -0.0000000), wk = 0.0051813 k( 7) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0051813 k( 8) = ( 0.1346154 0.0000000 0.0000000), wk = 0.0051813 k( 9) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0051813 k( 10) = ( 0.1730769 0.0000000 0.0000000), wk = 0.0051813 k( 11) = ( 0.1923077 -0.0000000 0.0000000), wk = 0.0051813 k( 12) = ( 0.2115385 0.0000000 0.0000000), wk = 0.0051813 k( 13) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0051813 k( 14) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0051813 k( 15) = ( 0.2692308 -0.0000000 0.0000000), wk = 0.0051813 k( 16) = ( 0.2884615 0.0000000 0.0000000), wk = 0.0051813 k( 17) = ( 0.3076923 0.0000000 -0.0000000), wk = 0.0051813 k( 18) = ( 0.3269231 0.0000000 0.0000000), wk = 0.0051813 k( 19) = ( 0.3461538 0.0000000 -0.0000000), wk = 0.0051813 k( 20) = ( 0.3653846 0.0000000 0.0000000), wk = 0.0051813 k( 21) = ( 0.3846154 -0.0000000 0.0000000), wk = 0.0051813 k( 22) = ( 0.4038462 0.0000000 0.0000000), wk = 0.0051813 k( 23) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0051813 k( 24) = ( 0.4423077 0.0000000 0.0000000), wk = 0.0051813 k( 25) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0051813 k( 26) = ( 0.4807692 -0.0000000 -0.0000000), wk = 0.0051813 k( 27) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0051813 k( 28) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0051813 k( 29) = ( 0.4888889 0.0222222 0.0000000), wk = 0.0051813 k( 30) = ( 0.4777778 0.0444444 -0.0000000), wk = 0.0051813 k( 31) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0051813 k( 32) = ( 0.4555556 0.0888889 -0.0000000), wk = 0.0051813 k( 33) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0051813 k( 34) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0051813 k( 35) = ( 0.4222222 0.1555556 0.0000000), wk = 0.0051813 k( 36) = ( 0.4111111 0.1777778 -0.0000000), wk = 0.0051813 k( 37) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0051813 k( 38) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0051813 k( 39) = ( 0.3777778 0.2444444 -0.0000000), wk = 0.0051813 k( 40) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0051813 k( 41) = ( 0.3555556 0.2888889 -0.0000000), wk = 0.0051813 k( 42) = ( 0.3444444 0.3111111 -0.0000000), wk = 0.0051813 k( 43) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0051813 k( 44) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0051813 k( 45) = ( 0.3222222 0.3222222 0.0000000), wk = 0.0051813 k( 46) = ( 0.3111111 0.3111111 -0.0000000), wk = 0.0051813 k( 47) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0051813 k( 48) = ( 0.2888889 0.2888889 0.0000000), wk = 0.0051813 k( 49) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0051813 k( 50) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0051813 k( 51) = ( 0.2555556 0.2555556 -0.0000000), wk = 0.0051813 k( 52) = ( 0.2444444 0.2444444 -0.0000000), wk = 0.0051813 k( 53) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0051813 k( 54) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0051813 k( 55) = ( 0.2111111 0.2111111 -0.0000000), wk = 0.0051813 k( 56) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0051813 k( 57) = ( 0.1888889 0.1888889 -0.0000000), wk = 0.0051813 k( 58) = ( 0.1777778 0.1777778 -0.0000000), wk = 0.0051813 k( 59) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0051813 k( 60) = ( 0.1555556 0.1555556 0.0000000), wk = 0.0051813 k( 61) = ( 0.1444444 0.1444444 0.0000000), wk = 0.0051813 k( 62) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0051813 k( 63) = ( 0.1222222 0.1222222 -0.0000000), wk = 0.0051813 k( 64) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0051813 k( 65) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0051813 k( 66) = ( 0.0888889 0.0888889 -0.0000000), wk = 0.0051813 k( 67) = ( 0.0777778 0.0777778 0.0000000), wk = 0.0051813 k( 68) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0051813 k( 69) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0051813 k( 70) = ( 0.0444444 0.0444444 -0.0000000), wk = 0.0051813 k( 71) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0051813 k( 72) = ( 0.0222222 0.0222222 -0.0000000), wk = 0.0051813 k( 73) = ( 0.0111111 0.0111111 -0.0000000), wk = 0.0051813 k( 74) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051813 k( 75) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051813 k( 76) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0051813 k( 77) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0051813 k( 78) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0051813 k( 79) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0051813 k( 80) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0051813 k( 81) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0051813 k( 82) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0051813 k( 83) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0051813 k( 84) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0051813 k( 85) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0051813 k( 86) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0051813 k( 87) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0051813 k( 88) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0051813 k( 89) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0051813 k( 90) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0051813 k( 91) = ( 0.0192308 0.0000000 0.5000000), wk = 0.0051813 k( 92) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0051813 k( 93) = ( 0.0576923 0.0000000 0.5000000), wk = 0.0051813 k( 94) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0051813 k( 95) = ( 0.0961538 -0.0000000 0.5000000), wk = 0.0051813 k( 96) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0051813 k( 97) = ( 0.1346154 0.0000000 0.5000000), wk = 0.0051813 k( 98) = ( 0.1538461 0.0000000 0.5000000), wk = 0.0051813 k( 99) = ( 0.1730769 0.0000000 0.5000000), wk = 0.0051813 k( 100) = ( 0.1923077 -0.0000000 0.5000000), wk = 0.0051813 k( 101) = ( 0.2115385 0.0000000 0.5000000), wk = 0.0051813 k( 102) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0051813 k( 103) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0051813 k( 104) = ( 0.2692308 -0.0000000 0.5000000), wk = 0.0051813 k( 105) = ( 0.2884615 0.0000000 0.5000000), wk = 0.0051813 k( 106) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0051813 k( 107) = ( 0.3269231 0.0000000 0.5000000), wk = 0.0051813 k( 108) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0051813 k( 109) = ( 0.3653846 0.0000000 0.5000000), wk = 0.0051813 k( 110) = ( 0.3846154 -0.0000000 0.5000000), wk = 0.0051813 k( 111) = ( 0.4038462 0.0000000 0.5000000), wk = 0.0051813 k( 112) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0051813 k( 113) = ( 0.4423077 0.0000000 0.5000000), wk = 0.0051813 k( 114) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0051813 k( 115) = ( 0.4807692 -0.0000000 0.5000000), wk = 0.0051813 k( 116) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0051813 k( 117) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0051813 k( 118) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0051813 k( 119) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0051813 k( 120) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0051813 k( 121) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0051813 k( 122) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0051813 k( 123) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0051813 k( 124) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0051813 k( 125) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0051813 k( 126) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0051813 k( 127) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0051813 k( 128) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0051813 k( 129) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0051813 k( 130) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0051813 k( 131) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0051813 k( 132) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0051813 k( 133) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0051813 k( 134) = ( 0.3222222 0.3222222 0.5000000), wk = 0.0051813 k( 135) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0051813 k( 136) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0051813 k( 137) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0051813 k( 138) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0051813 k( 139) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0051813 k( 140) = ( 0.2555556 0.2555556 0.5000000), wk = 0.0051813 k( 141) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0051813 k( 142) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0051813 k( 143) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0051813 k( 144) = ( 0.2111111 0.2111111 0.5000000), wk = 0.0051813 k( 145) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0051813 k( 146) = ( 0.1888889 0.1888889 0.5000000), wk = 0.0051813 k( 147) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0051813 k( 148) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0051813 k( 149) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0051813 k( 150) = ( 0.1444444 0.1444444 0.5000000), wk = 0.0051813 k( 151) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0051813 k( 152) = ( 0.1222222 0.1222222 0.5000000), wk = 0.0051813 k( 153) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0051813 k( 154) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0051813 k( 155) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0051813 k( 156) = ( 0.0777778 0.0777778 0.5000000), wk = 0.0051813 k( 157) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0051813 k( 158) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0051813 k( 159) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0051813 k( 160) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0051813 k( 161) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0051813 k( 162) = ( 0.0111111 0.0111111 0.5000000), wk = 0.0051813 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0051813 k( 164) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0051813 k( 165) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0051813 k( 166) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0051813 k( 167) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0051813 k( 168) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0051813 k( 169) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0051813 k( 170) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0051813 k( 171) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0051813 k( 172) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0051813 k( 173) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0051813 k( 174) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0051813 k( 175) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0051813 k( 176) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0051813 k( 177) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0051813 k( 178) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0051813 k( 179) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0051813 k( 180) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0051813 k( 181) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0051813 k( 182) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0051813 k( 183) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0051813 k( 184) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0051813 k( 185) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0051813 k( 186) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0051813 k( 187) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0051813 k( 188) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0051813 k( 189) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0051813 k( 190) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0051813 k( 191) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0051813 k( 192) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0051813 k( 193) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0051813 Dense grid: 389621 G-vectors FFT dimensions: ( 81, 81, 135) Smooth grid: 183269 G-vectors FFT dimensions: ( 64, 64, 108) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.52 Mb ( 660, 52) NL pseudopotentials 0.68 Mb ( 330, 136) Each V/rho on FFT grid 0.20 Mb ( 13122) Each G-vector array 0.04 Mb ( 5414) G-vector shells 0.02 Mb ( 2726) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.09 Mb ( 660, 208) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.22 Mb ( 136, 2, 52) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./K3Rh.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.5 secs Computing kpt #: 2 total cpu time spent up to now is 6.5 secs Computing kpt #: 3 total cpu time spent up to now is 8.5 secs Computing kpt #: 4 total cpu time spent up to now is 10.5 secs Computing kpt #: 5 total cpu time spent up to now is 12.5 secs Computing kpt #: 6 total cpu time spent up to now is 14.4 secs Computing kpt #: 7 total cpu time spent up to now is 16.6 secs Computing kpt #: 8 total cpu time spent up to now is 18.6 secs Computing kpt #: 9 total cpu time spent up to now is 20.4 secs Computing kpt #: 10 total cpu time spent up to now is 22.2 secs Computing kpt #: 11 total cpu time spent up to now is 23.9 secs Computing kpt #: 12 total cpu time spent up to now is 25.5 secs Computing kpt #: 13 total cpu time spent up to now is 27.3 secs Computing kpt #: 14 total cpu time spent up to now is 29.0 secs Computing kpt #: 15 total cpu time spent up to now is 31.7 secs Computing kpt #: 16 total cpu time spent up to now is 35.4 secs Computing kpt #: 17 total cpu time spent up to now is 37.9 secs Computing kpt #: 18 total cpu time spent up to now is 40.3 secs Computing kpt #: 19 total cpu time spent up to now is 42.3 secs Computing kpt #: 20 total cpu time spent up to now is 44.3 secs Computing kpt #: 21 total cpu time spent up to now is 46.1 secs Computing kpt #: 22 total cpu time spent up to now is 48.1 secs Computing kpt #: 23 total cpu time spent up to now is 49.9 secs Computing kpt #: 24 total cpu time spent up to now is 51.7 secs Computing kpt #: 25 total cpu time spent up to now is 53.4 secs Computing kpt #: 26 total cpu time spent up to now is 54.9 secs Computing kpt #: 27 total cpu time spent up to now is 56.3 secs Computing kpt #: 28 total cpu time spent up to now is 57.8 secs Computing kpt #: 29 total cpu time spent up to now is 59.3 secs Computing kpt #: 30 total cpu time spent up to now is 60.8 secs Computing kpt #: 31 total cpu time spent up to now is 62.3 secs Computing kpt #: 32 total cpu time spent up to now is 63.8 secs Computing kpt #: 33 total cpu time spent up to now is 65.4 secs Computing kpt #: 34 total cpu time spent up to now is 67.0 secs Computing kpt #: 35 total cpu time spent up to now is 68.5 secs Computing kpt #: 36 total cpu time spent up to now is 70.0 secs Computing kpt #: 37 total cpu time spent up to now is 71.4 secs Computing kpt #: 38 total cpu time spent up to now is 72.9 secs Computing kpt #: 39 total cpu time spent up to now is 74.4 secs Computing kpt #: 40 total cpu time spent up to now is 75.9 secs Computing kpt #: 41 total cpu time spent up to now is 77.4 secs Computing kpt #: 42 total cpu time spent up to now is 78.9 secs Computing kpt #: 43 total cpu time spent up to now is 80.3 secs Computing kpt #: 44 total cpu time spent up to now is 82.0 secs Computing kpt #: 45 total cpu time spent up to now is 83.5 secs Computing kpt #: 46 total cpu time spent up to now is 84.8 secs Computing kpt #: 47 total cpu time spent up to now is 86.3 secs Computing kpt #: 48 total cpu time spent up to now is 87.7 secs Computing kpt #: 49 total cpu time spent up to now is 89.0 secs Computing kpt #: 50 total cpu time spent up to now is 90.6 secs Computing kpt #: 51 total cpu time spent up to now is 92.0 secs Computing kpt #: 52 total cpu time spent up to now is 93.4 secs Computing kpt #: 53 total cpu time spent up to now is 94.8 secs Computing kpt #: 54 total cpu time spent up to now is 96.2 secs Computing kpt #: 55 total cpu time spent up to now is 97.6 secs Computing kpt #: 56 total cpu time spent up to now is 99.1 secs Computing kpt #: 57 total cpu time spent up to now is 100.5 secs Computing kpt #: 58 total cpu time spent up to now is 101.9 secs Computing kpt #: 59 total cpu time spent up to now is 103.2 secs Computing kpt #: 60 total cpu time spent up to now is 104.7 secs Computing kpt #: 61 total cpu time spent up to now is 106.0 secs Computing kpt #: 62 total cpu time spent up to now is 107.4 secs Computing kpt #: 63 total cpu time spent up to now is 108.9 secs Computing kpt #: 64 total cpu time spent up to now is 110.3 secs Computing kpt #: 65 total cpu time spent up to now is 111.8 secs Computing kpt #: 66 total cpu time spent up to now is 113.4 secs Computing kpt #: 67 total cpu time spent up to now is 115.0 secs Computing kpt #: 68 total cpu time spent up to now is 116.6 secs Computing kpt #: 69 total cpu time spent up to now is 118.4 secs Computing kpt #: 70 total cpu time spent up to now is 120.2 secs Computing kpt #: 71 total cpu time spent up to now is 122.2 secs Computing kpt #: 72 total cpu time spent up to now is 124.2 secs Computing kpt #: 73 total cpu time spent up to now is 126.3 secs Computing kpt #: 74 total cpu time spent up to now is 128.5 secs Computing kpt #: 75 total cpu time spent up to now is 130.7 secs Computing kpt #: 76 total cpu time spent up to now is 132.8 secs Computing kpt #: 77 total cpu time spent up to now is 135.0 secs Computing kpt #: 78 total cpu time spent up to now is 137.1 secs Computing kpt #: 79 total cpu time spent up to now is 139.3 secs Computing kpt #: 80 total cpu time spent up to now is 141.5 secs Computing kpt #: 81 total cpu time spent up to now is 143.8 secs Computing kpt #: 82 total cpu time spent up to now is 146.5 secs Computing kpt #: 83 total cpu time spent up to now is 150.3 secs Computing kpt #: 84 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 154.9 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 159.3 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 163.8 secs Computing kpt #: 87 total cpu time spent up to now is 168.3 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 173.1 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 177.9 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 182.6 secs Computing kpt #: 91 total cpu time spent up to now is 185.6 secs Computing kpt #: 92 total cpu time spent up to now is 188.2 secs Computing kpt #: 93 total cpu time spent up to now is 190.7 secs Computing kpt #: 94 total cpu time spent up to now is 193.3 secs Computing kpt #: 95 total cpu time spent up to now is 195.6 secs Computing kpt #: 96 total cpu time spent up to now is 198.0 secs Computing kpt #: 97 total cpu time spent up to now is 199.9 secs Computing kpt #: 98 total cpu time spent up to now is 201.8 secs Computing kpt #: 99 total cpu time spent up to now is 203.5 secs Computing kpt #: 100 total cpu time spent up to now is 205.3 secs Computing kpt #: 101 total cpu time spent up to now is 207.0 secs Computing kpt #: 102 total cpu time spent up to now is 208.8 secs Computing kpt #: 103 total cpu time spent up to now is 210.6 secs Computing kpt #: 104 total cpu time spent up to now is 212.6 secs Computing kpt #: 105 total cpu time spent up to now is 214.5 secs Computing kpt #: 106 total cpu time spent up to now is 216.6 secs Computing kpt #: 107 total cpu time spent up to now is 218.7 secs Computing kpt #: 108 total cpu time spent up to now is 220.6 secs Computing kpt #: 109 total cpu time spent up to now is 222.7 secs Computing kpt #: 110 total cpu time spent up to now is 224.6 secs Computing kpt #: 111 total cpu time spent up to now is 226.7 secs Computing kpt #: 112 total cpu time spent up to now is 228.7 secs Computing kpt #: 113 total cpu time spent up to now is 230.6 secs Computing kpt #: 114 total cpu time spent up to now is 232.6 secs Computing kpt #: 115 total cpu time spent up to now is 234.5 secs Computing kpt #: 116 total cpu time spent up to now is 236.3 secs Computing kpt #: 117 total cpu time spent up to now is 238.3 secs Computing kpt #: 118 total cpu time spent up to now is 240.1 secs Computing kpt #: 119 total cpu time spent up to now is 241.9 secs Computing kpt #: 120 total cpu time spent up to now is 243.5 secs Computing kpt #: 121 total cpu time spent up to now is 245.0 secs Computing kpt #: 122 total cpu time spent up to now is 246.4 secs Computing kpt #: 123 total cpu time spent up to now is 247.9 secs Computing kpt #: 124 total cpu time spent up to now is 249.6 secs Computing kpt #: 125 total cpu time spent up to now is 250.9 secs Computing kpt #: 126 total cpu time spent up to now is 252.3 secs Computing kpt #: 127 total cpu time spent up to now is 253.7 secs Computing kpt #: 128 total cpu time spent up to now is 255.2 secs Computing kpt #: 129 total cpu time spent up to now is 256.7 secs Computing kpt #: 130 total cpu time spent up to now is 258.2 secs Computing kpt #: 131 total cpu time spent up to now is 259.7 secs Computing kpt #: 132 total cpu time spent up to now is 261.6 secs Computing kpt #: 133 total cpu time spent up to now is 263.4 secs Computing kpt #: 134 total cpu time spent up to now is 264.9 secs Computing kpt #: 135 total cpu time spent up to now is 266.3 secs Computing kpt #: 136 total cpu time spent up to now is 267.8 secs Computing kpt #: 137 total cpu time spent up to now is 269.2 secs Computing kpt #: 138 total cpu time spent up to now is 270.6 secs Computing kpt #: 139 total cpu time spent up to now is 272.1 secs Computing kpt #: 140 total cpu time spent up to now is 273.5 secs Computing kpt #: 141 total cpu time spent up to now is 274.9 secs Computing kpt #: 142 total cpu time spent up to now is 276.3 secs Computing kpt #: 143 total cpu time spent up to now is 277.6 secs Computing kpt #: 144 total cpu time spent up to now is 279.1 secs Computing kpt #: 145 total cpu time spent up to now is 280.5 secs Computing kpt #: 146 total cpu time spent up to now is 281.8 secs Computing kpt #: 147 total cpu time spent up to now is 283.3 secs Computing kpt #: 148 total cpu time spent up to now is 284.8 secs Computing kpt #: 149 total cpu time spent up to now is 286.3 secs Computing kpt #: 150 total cpu time spent up to now is 287.8 secs Computing kpt #: 151 total cpu time spent up to now is 289.5 secs Computing kpt #: 152 total cpu time spent up to now is 291.2 secs Computing kpt #: 153 total cpu time spent up to now is 293.1 secs Computing kpt #: 154 total cpu time spent up to now is 295.0 secs Computing kpt #: 155 total cpu time spent up to now is 296.8 secs Computing kpt #: 156 total cpu time spent up to now is 298.5 secs Computing kpt #: 157 total cpu time spent up to now is 300.3 secs Computing kpt #: 158 total cpu time spent up to now is 302.3 secs Computing kpt #: 159 total cpu time spent up to now is 304.2 secs Computing kpt #: 160 total cpu time spent up to now is 306.2 secs Computing kpt #: 161 total cpu time spent up to now is 309.1 secs Computing kpt #: 162 total cpu time spent up to now is 311.9 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 316.4 secs Computing kpt #: 164 total cpu time spent up to now is 318.3 secs Computing kpt #: 165 total cpu time spent up to now is 320.2 secs Computing kpt #: 166 total cpu time spent up to now is 322.2 secs Computing kpt #: 167 total cpu time spent up to now is 324.0 secs Computing kpt #: 168 total cpu time spent up to now is 325.8 secs Computing kpt #: 169 total cpu time spent up to now is 327.6 secs Computing kpt #: 170 total cpu time spent up to now is 329.5 secs Computing kpt #: 171 total cpu time spent up to now is 331.2 secs Computing kpt #: 172 total cpu time spent up to now is 333.0 secs Computing kpt #: 173 total cpu time spent up to now is 334.7 secs Computing kpt #: 174 total cpu time spent up to now is 336.2 secs Computing kpt #: 175 total cpu time spent up to now is 337.8 secs Computing kpt #: 176 total cpu time spent up to now is 339.4 secs Computing kpt #: 177 total cpu time spent up to now is 341.0 secs Computing kpt #: 178 total cpu time spent up to now is 342.4 secs Computing kpt #: 179 total cpu time spent up to now is 343.9 secs Computing kpt #: 180 total cpu time spent up to now is 345.3 secs Computing kpt #: 181 total cpu time spent up to now is 346.8 secs Computing kpt #: 182 total cpu time spent up to now is 348.8 secs Computing kpt #: 183 total cpu time spent up to now is 350.8 secs Computing kpt #: 184 total cpu time spent up to now is 353.7 secs Computing kpt #: 185 total cpu time spent up to now is 355.8 secs Computing kpt #: 186 total cpu time spent up to now is 357.8 secs Computing kpt #: 187 total cpu time spent up to now is 359.7 secs Computing kpt #: 188 total cpu time spent up to now is 361.5 secs Computing kpt #: 189 total cpu time spent up to now is 363.4 secs Computing kpt #: 190 total cpu time spent up to now is 365.2 secs Computing kpt #: 191 total cpu time spent up to now is 367.1 secs Computing kpt #: 192 total cpu time spent up to now is 369.0 secs Computing kpt #: 193 total cpu time spent up to now is 370.8 secs ethr = 2.27E-08, avg # of iterations = 30.4 total cpu time spent up to now is 370.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 22959 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1980 -16.1980 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.4825 -1.4825 -0.6051 -0.6051 -0.6037 -0.6037 -0.3440 -0.3440 -0.2404 -0.2404 -0.2349 -0.2349 -0.2238 -0.2238 0.0731 0.0731 1.9786 1.9786 1.9825 1.9825 k = 0.0192 0.0111-0.0000 ( 22945 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1980 -16.1980 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.4809 -1.4809 -0.6050 -0.6050 -0.6037 -0.6037 -0.3432 -0.3432 -0.2403 -0.2403 -0.2350 -0.2350 -0.2238 -0.2238 0.0747 0.0747 1.9639 1.9639 1.9739 1.9739 k = 0.0385 0.0222-0.0000 ( 22911 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3115 -16.3115 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.4762 -1.4762 -0.6050 -0.6050 -0.6036 -0.6036 -0.3405 -0.3405 -0.2403 -0.2403 -0.2353 -0.2353 -0.2237 -0.2237 0.0797 0.0797 1.9189 1.9189 1.9554 1.9554 k = 0.0577 0.0333-0.0000 ( 22899 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3115 -16.3115 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.4685 -1.4685 -0.6050 -0.6050 -0.6036 -0.6036 -0.3362 -0.3362 -0.2402 -0.2402 -0.2359 -0.2359 -0.2236 -0.2236 0.0879 0.0879 1.8524 1.8524 1.9306 1.9306 k = 0.0769 0.0444-0.0000 ( 22887 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3115 -16.3115 -16.2093 -16.2093 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.4576 -1.4576 -0.6049 -0.6049 -0.6036 -0.6036 -0.3301 -0.3301 -0.2402 -0.2402 -0.2365 -0.2365 -0.2234 -0.2234 0.0994 0.0994 1.7719 1.7719 1.9029 1.9029 k = 0.0962 0.0555-0.0000 ( 22881 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3116 -16.3116 -16.2093 -16.2093 -16.2089 -16.2089 -16.1979 -16.1979 -16.1974 -16.1974 -16.0457 -16.0457 -16.0441 -16.0441 -1.4436 -1.4436 -0.6049 -0.6049 -0.6035 -0.6035 -0.3225 -0.3225 -0.2403 -0.2403 -0.2371 -0.2371 -0.2231 -0.2231 0.1139 0.1139 1.6825 1.6825 1.8740 1.8740 k = 0.1154 0.0666-0.0000 ( 22869 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3117 -16.3117 -16.2093 -16.2093 -16.2089 -16.2089 -16.1979 -16.1979 -16.1974 -16.1974 -16.0457 -16.0457 -16.0441 -16.0441 -1.4266 -1.4266 -0.6048 -0.6048 -0.6034 -0.6034 -0.3135 -0.3135 -0.2407 -0.2407 -0.2374 -0.2374 -0.2224 -0.2224 0.1314 0.1314 1.5873 1.5873 1.8451 1.8451 k = 0.1346 0.0777-0.0000 ( 22873 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3117 -16.3117 -16.2093 -16.2093 -16.2089 -16.2089 -16.1979 -16.1979 -16.1974 -16.1974 -16.0457 -16.0457 -16.0441 -16.0441 -1.4065 -1.4065 -0.6048 -0.6048 -0.6034 -0.6034 -0.3032 -0.3032 -0.2416 -0.2416 -0.2372 -0.2372 -0.2214 -0.2214 0.1518 0.1518 1.4888 1.4888 1.8168 1.8168 k = 0.1538 0.0888-0.0000 ( 22885 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4707 -16.4707 -16.3118 -16.3118 -16.2093 -16.2093 -16.2089 -16.2089 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.3834 -1.3834 -0.6049 -0.6049 -0.6033 -0.6033 -0.2922 -0.2922 -0.2426 -0.2426 -0.2367 -0.2367 -0.2197 -0.2197 0.1750 0.1750 1.3883 1.3883 1.7893 1.7893 k = 0.1731 0.0999-0.0000 ( 22877 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3119 -16.3119 -16.2092 -16.2092 -16.2088 -16.2088 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.3573 -1.3573 -0.6050 -0.6050 -0.6031 -0.6031 -0.2811 -0.2811 -0.2437 -0.2437 -0.2358 -0.2358 -0.2168 -0.2168 0.2008 0.2008 1.2872 1.2872 1.7629 1.7629 k = 0.1923 0.1110-0.0000 ( 22885 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3120 -16.3120 -16.2092 -16.2092 -16.2088 -16.2088 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.3282 -1.3282 -0.6050 -0.6050 -0.6030 -0.6030 -0.2709 -0.2709 -0.2448 -0.2448 -0.2348 -0.2348 -0.2119 -0.2119 0.2290 0.2290 1.1862 1.1862 1.7377 1.7377 k = 0.2115 0.1221-0.0000 ( 22845 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3121 -16.3121 -16.2092 -16.2092 -16.2088 -16.2088 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.2963 -1.2963 -0.6051 -0.6051 -0.6028 -0.6028 -0.2627 -0.2627 -0.2457 -0.2457 -0.2335 -0.2335 -0.2040 -0.2040 0.2593 0.2593 1.0863 1.0863 1.7139 1.7139 k = 0.2308 0.1332-0.0000 ( 22843 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3122 -16.3122 -16.2092 -16.2092 -16.2088 -16.2088 -16.1978 -16.1978 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.2615 -1.2615 -0.6052 -0.6052 -0.6027 -0.6027 -0.2574 -0.2574 -0.2463 -0.2463 -0.2323 -0.2323 -0.1925 -0.1925 0.2914 0.2914 0.9884 0.9884 1.6914 1.6914 k = 0.2500 0.1443-0.0000 ( 22841 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3123 -16.3123 -16.2091 -16.2091 -16.2088 -16.2088 -16.1978 -16.1978 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.2239 -1.2239 -0.6053 -0.6053 -0.6025 -0.6025 -0.2547 -0.2547 -0.2464 -0.2464 -0.2313 -0.2313 -0.1780 -0.1780 0.3245 0.3245 0.8937 0.8937 1.6704 1.6704 k = 0.2692 0.1554-0.0000 ( 22867 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3124 -16.3124 -16.2091 -16.2091 -16.2088 -16.2088 -16.1978 -16.1978 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.1836 -1.1836 -0.6054 -0.6054 -0.6023 -0.6023 -0.2538 -0.2538 -0.2461 -0.2461 -0.2305 -0.2305 -0.1618 -0.1618 0.3569 0.3569 0.8042 0.8042 1.6507 1.6507 k = 0.2885 0.1665-0.0000 ( 22863 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3126 -16.3126 -16.2091 -16.2091 -16.2088 -16.2088 -16.1978 -16.1978 -16.1974 -16.1974 -16.0459 -16.0459 -16.0440 -16.0440 -1.1408 -1.1408 -0.6054 -0.6054 -0.6020 -0.6020 -0.2540 -0.2540 -0.2455 -0.2455 -0.2298 -0.2298 -0.1448 -0.1448 0.3853 0.3853 0.7241 0.7241 1.6322 1.6322 k = 0.3077 0.1776-0.0000 ( 22861 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3127 -16.3127 -16.2091 -16.2091 -16.2088 -16.2088 -16.1978 -16.1978 -16.1974 -16.1974 -16.0459 -16.0459 -16.0440 -16.0440 -1.0956 -1.0956 -0.6054 -0.6054 -0.6017 -0.6017 -0.2545 -0.2545 -0.2450 -0.2450 -0.2293 -0.2293 -0.1283 -0.1283 0.4011 0.4011 0.6624 0.6624 1.6087 1.6087 k = 0.3269 0.1887-0.0000 ( 22873 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3128 -16.3128 -16.2090 -16.2090 -16.2088 -16.2088 -16.1977 -16.1977 -16.1974 -16.1974 -16.0459 -16.0459 -16.0439 -16.0439 -1.0482 -1.0482 -0.6053 -0.6053 -0.6013 -0.6013 -0.2552 -0.2552 -0.2446 -0.2446 -0.2289 -0.2289 -0.1135 -0.1135 0.3900 0.3900 0.6345 0.6345 1.5784 1.5784 k = 0.3462 0.1999-0.0000 ( 22898 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3129 -16.3129 -16.2090 -16.2090 -16.2088 -16.2088 -16.1977 -16.1977 -16.1974 -16.1974 -16.0459 -16.0459 -16.0439 -16.0439 -0.9988 -0.9988 -0.6052 -0.6052 -0.6007 -0.6007 -0.2560 -0.2560 -0.2443 -0.2443 -0.2287 -0.2287 -0.1021 -0.1021 0.3493 0.3493 0.6445 0.6445 1.5480 1.5480 k = 0.3654 0.2110-0.0000 ( 22908 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3129 -16.3129 -16.2090 -16.2090 -16.2088 -16.2088 -16.1977 -16.1977 -16.1974 -16.1974 -16.0459 -16.0459 -16.0439 -16.0439 -0.9480 -0.9480 -0.6050 -0.6050 -0.5997 -0.5997 -0.2569 -0.2569 -0.2441 -0.2441 -0.2287 -0.2287 -0.0964 -0.0964 0.2956 0.2956 0.6779 0.6779 1.5156 1.5156 k = 0.3846 0.2221-0.0000 ( 22928 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3130 -16.3130 -16.2090 -16.2090 -16.2088 -16.2088 -16.1977 -16.1977 -16.1974 -16.1974 -16.0459 -16.0459 -16.0439 -16.0439 -0.8963 -0.8963 -0.6048 -0.6048 -0.5981 -0.5981 -0.2579 -0.2579 -0.2441 -0.2441 -0.2290 -0.2290 -0.0995 -0.0995 0.2440 0.2440 0.7229 0.7229 1.4772 1.4772 k = 0.4038 0.2332-0.0000 ( 22922 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3131 -16.3131 -16.2089 -16.2089 -16.2088 -16.2088 -16.1977 -16.1977 -16.1974 -16.1974 -16.0459 -16.0459 -16.0439 -16.0439 -0.8449 -0.8449 -0.6046 -0.6046 -0.5954 -0.5954 -0.2591 -0.2591 -0.2442 -0.2442 -0.2297 -0.2297 -0.1141 -0.1141 0.2028 0.2028 0.7742 0.7742 1.4286 1.4286 k = 0.4231 0.2443-0.0000 ( 22938 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4706 -16.4706 -16.3131 -16.3131 -16.2089 -16.2089 -16.2088 -16.2088 -16.1977 -16.1977 -16.1974 -16.1974 -16.0459 -16.0459 -16.0439 -16.0439 -0.7955 -0.7955 -0.6044 -0.6044 -0.5908 -0.5908 -0.2612 -0.2612 -0.2447 -0.2447 -0.2313 -0.2313 -0.1399 -0.1399 0.1754 0.1754 0.8295 0.8295 1.3702 1.3702 k = 0.4423 0.2554-0.0000 ( 22920 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1977 -16.1977 -16.1974 -16.1974 -16.0459 -16.0459 -16.0439 -16.0439 -0.7513 -0.7513 -0.6043 -0.6043 -0.5830 -0.5830 -0.2659 -0.2659 -0.2460 -0.2460 -0.2342 -0.2342 -0.1702 -0.1702 0.1602 0.1602 0.8872 0.8872 1.3067 1.3067 k = 0.4615 0.2665-0.0000 ( 22910 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0459 -16.0459 -16.0439 -16.0439 -0.7168 -0.7168 -0.6042 -0.6042 -0.5710 -0.5710 -0.2780 -0.2780 -0.2485 -0.2485 -0.2376 -0.2376 -0.1934 -0.1934 0.1530 0.1530 0.9456 0.9456 1.2427 1.2427 k = 0.4808 0.2776-0.0000 ( 22918 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6957 -0.6957 -0.6041 -0.6041 -0.5573 -0.5573 -0.2965 -0.2965 -0.2506 -0.2506 -0.2393 -0.2393 -0.2040 -0.2040 0.1501 0.1501 0.9998 0.9998 1.1847 1.1847 k = 0.5000 0.2887-0.0000 ( 22928 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6889 -0.6889 -0.6041 -0.6041 -0.5507 -0.5507 -0.3058 -0.3058 -0.2512 -0.2512 -0.2397 -0.2397 -0.2066 -0.2066 0.1494 0.1494 1.0284 1.0284 1.1548 1.1548 k = 0.5000 0.2887-0.0000 ( 22928 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6889 -0.6889 -0.6041 -0.6041 -0.5507 -0.5507 -0.3058 -0.3058 -0.2512 -0.2512 -0.2397 -0.2397 -0.2066 -0.2066 0.1494 0.1494 1.0284 1.0284 1.1548 1.1548 k = 0.4889 0.3079-0.0000 ( 22936 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2087 -16.2087 -16.1977 -16.1977 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6882 -0.6882 -0.6041 -0.6041 -0.5503 -0.5503 -0.3046 -0.3046 -0.2512 -0.2512 -0.2395 -0.2395 -0.2066 -0.2066 0.1499 0.1499 1.0296 1.0296 1.1523 1.1523 k = 0.4778 0.3272-0.0000 ( 22918 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3133 -16.3133 -16.2090 -16.2090 -16.2087 -16.2087 -16.1977 -16.1977 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6859 -0.6859 -0.6041 -0.6041 -0.5489 -0.5489 -0.3010 -0.3010 -0.2511 -0.2511 -0.2389 -0.2389 -0.2065 -0.2065 0.1515 0.1515 1.0332 1.0332 1.1419 1.1419 k = 0.4667 0.3464-0.0000 ( 22910 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4706 -16.4706 -16.3133 -16.3133 -16.2090 -16.2090 -16.2086 -16.2086 -16.1977 -16.1977 -16.1973 -16.1973 -16.0460 -16.0460 -16.0439 -16.0439 -0.6824 -0.6824 -0.6041 -0.6041 -0.5466 -0.5466 -0.2952 -0.2952 -0.2509 -0.2509 -0.2377 -0.2377 -0.2063 -0.2063 0.1539 0.1539 1.0392 1.0392 1.1124 1.1124 k = 0.4556 0.3657-0.0000 ( 22898 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3133 -16.3133 -16.2091 -16.2091 -16.2085 -16.2085 -16.1978 -16.1978 -16.1973 -16.1973 -16.0460 -16.0460 -16.0439 -16.0439 -0.6776 -0.6776 -0.6041 -0.6041 -0.5431 -0.5431 -0.2876 -0.2876 -0.2506 -0.2506 -0.2356 -0.2356 -0.2059 -0.2059 0.1572 0.1572 1.0472 1.0472 1.0530 1.0530 k = 0.4444 0.3849-0.0000 ( 22882 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3133 -16.3133 -16.2091 -16.2091 -16.2085 -16.2085 -16.1978 -16.1978 -16.1972 -16.1972 -16.0459 -16.0459 -16.0439 -16.0439 -0.6720 -0.6720 -0.6041 -0.6041 -0.5383 -0.5383 -0.2790 -0.2790 -0.2502 -0.2502 -0.2320 -0.2320 -0.2052 -0.2052 0.1610 0.1610 0.9715 0.9715 1.0583 1.0583 k = 0.4333 0.4041-0.0000 ( 22896 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3133 -16.3133 -16.2092 -16.2092 -16.2084 -16.2084 -16.1979 -16.1979 -16.1972 -16.1972 -16.0459 -16.0459 -16.0439 -16.0439 -0.6659 -0.6659 -0.6042 -0.6042 -0.5321 -0.5321 -0.2707 -0.2707 -0.2497 -0.2497 -0.2262 -0.2262 -0.2038 -0.2038 0.1652 0.1652 0.8825 0.8825 1.0712 1.0712 k = 0.4222 0.4234-0.0000 ( 22904 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3133 -16.3133 -16.2092 -16.2092 -16.2083 -16.2083 -16.1979 -16.1979 -16.1971 -16.1971 -16.0459 -16.0459 -16.0439 -16.0439 -0.6596 -0.6596 -0.6042 -0.6042 -0.5241 -0.5241 -0.2642 -0.2642 -0.2490 -0.2490 -0.2181 -0.2181 -0.2001 -0.2001 0.1691 0.1691 0.7923 0.7923 1.0863 1.0863 k = 0.4111 0.4426-0.0000 ( 22908 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3134 -16.3134 -16.2093 -16.2093 -16.2083 -16.2083 -16.1980 -16.1980 -16.1971 -16.1971 -16.0459 -16.0459 -16.0439 -16.0439 -0.6535 -0.6535 -0.6042 -0.6042 -0.5144 -0.5144 -0.2601 -0.2601 -0.2481 -0.2481 -0.2116 -0.2116 -0.1897 -0.1897 0.1720 0.1720 0.7043 0.7043 1.1035 1.1035 k = 0.4000 0.4619-0.0000 ( 22880 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3134 -16.3134 -16.2093 -16.2093 -16.2082 -16.2082 -16.1980 -16.1980 -16.1971 -16.1971 -16.0459 -16.0459 -16.0439 -16.0439 -0.6480 -0.6480 -0.6042 -0.6042 -0.5029 -0.5029 -0.2578 -0.2578 -0.2472 -0.2472 -0.2087 -0.2087 -0.1712 -0.1712 0.1726 0.1726 0.6211 0.6211 1.1225 1.1225 k = 0.3889 0.4811-0.0000 ( 22902 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3134 -16.3134 -16.2093 -16.2093 -16.2082 -16.2082 -16.1980 -16.1980 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6432 -0.6432 -0.6042 -0.6042 -0.4899 -0.4899 -0.2566 -0.2566 -0.2462 -0.2462 -0.2069 -0.2069 -0.1476 -0.1476 0.1689 0.1689 0.5453 0.5453 1.1431 1.1431 k = 0.3778 0.5004-0.0000 ( 22920 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3134 -16.3134 -16.2094 -16.2094 -16.2082 -16.2082 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6392 -0.6392 -0.6042 -0.6042 -0.4761 -0.4761 -0.2560 -0.2560 -0.2454 -0.2454 -0.2054 -0.2054 -0.1202 -0.1202 0.1577 0.1577 0.4810 0.4810 1.1649 1.1649 k = 0.3667 0.5196-0.0000 ( 22928 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3134 -16.3134 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0460 -16.0460 -16.0439 -16.0439 -0.6362 -0.6362 -0.6042 -0.6042 -0.4622 -0.4622 -0.2557 -0.2557 -0.2448 -0.2448 -0.2039 -0.2039 -0.0897 -0.0897 0.1358 0.1358 0.4322 0.4322 1.1870 1.1870 k = 0.3556 0.5389-0.0000 ( 22926 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0460 -16.0460 -16.0439 -16.0439 -0.6339 -0.6339 -0.6042 -0.6042 -0.4498 -0.4498 -0.2556 -0.2556 -0.2442 -0.2442 -0.2023 -0.2023 -0.0563 -0.0563 0.1021 0.1021 0.4012 0.4012 1.2079 1.2079 k = 0.3444 0.5581-0.0000 ( 22924 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6326 -0.6326 -0.6042 -0.6042 -0.4405 -0.4405 -0.2556 -0.2556 -0.2439 -0.2439 -0.2009 -0.2009 -0.0202 -0.0202 0.0606 0.0606 0.3859 0.3859 1.2249 1.2249 k = 0.3333 0.5774-0.0000 ( 22914 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6321 -0.6321 -0.6042 -0.6042 -0.4369 -0.4369 -0.2556 -0.2556 -0.2438 -0.2438 -0.2002 -0.2002 0.0173 0.0173 0.0196 0.0196 0.3817 0.3817 1.2323 1.2323 k = 0.3333 0.5774-0.0000 ( 22914 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6321 -0.6321 -0.6042 -0.6042 -0.4369 -0.4369 -0.2556 -0.2556 -0.2438 -0.2438 -0.2002 -0.2002 0.0173 0.0173 0.0196 0.0196 0.3817 0.3817 1.2323 1.2323 k = 0.3222 0.5581-0.0000 ( 22926 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6327 -0.6327 -0.6042 -0.6042 -0.4414 -0.4414 -0.2556 -0.2556 -0.2439 -0.2439 -0.2012 -0.2012 -0.0170 -0.0170 0.0595 0.0595 0.3849 0.3849 1.2223 1.2223 k = 0.3111 0.5389-0.0000 ( 22926 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0460 -16.0460 -16.0439 -16.0439 -0.6347 -0.6347 -0.6042 -0.6042 -0.4564 -0.4564 -0.2556 -0.2556 -0.2441 -0.2441 -0.2045 -0.2045 -0.0409 -0.0409 0.1029 0.1029 0.3933 0.3933 1.1911 1.1911 k = 0.3000 0.5196-0.0000 ( 22906 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3134 -16.3134 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6390 -0.6390 -0.6042 -0.6042 -0.4817 -0.4817 -0.2555 -0.2555 -0.2442 -0.2442 -0.2093 -0.2093 -0.0525 -0.0525 0.1483 0.1483 0.4061 0.4061 1.1441 1.1441 k = 0.2889 0.5004-0.0000 ( 22882 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3134 -16.3134 -16.2094 -16.2094 -16.2082 -16.2082 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6476 -0.6476 -0.6042 -0.6042 -0.5138 -0.5138 -0.2556 -0.2556 -0.2441 -0.2441 -0.2142 -0.2142 -0.0551 -0.0551 0.1956 0.1956 0.4231 0.4231 1.0893 1.0893 k = 0.2778 0.4811-0.0000 ( 22892 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3134 -16.3134 -16.2093 -16.2093 -16.2082 -16.2082 -16.1980 -16.1980 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6645 -0.6645 -0.6043 -0.6043 -0.5457 -0.5457 -0.2556 -0.2556 -0.2438 -0.2438 -0.2183 -0.2183 -0.0531 -0.0531 0.2445 0.2445 0.4448 0.4448 1.0318 1.0318 k = 0.2667 0.4619-0.0000 ( 22906 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3133 -16.3133 -16.2093 -16.2093 -16.2082 -16.2082 -16.1980 -16.1980 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6943 -0.6943 -0.6044 -0.6044 -0.5695 -0.5695 -0.2557 -0.2557 -0.2434 -0.2434 -0.2213 -0.2213 -0.0504 -0.0504 0.2944 0.2944 0.4718 0.4718 0.9745 0.9745 k = 0.2556 0.4426-0.0000 ( 22894 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3133 -16.3133 -16.2093 -16.2093 -16.2083 -16.2083 -16.1980 -16.1980 -16.1971 -16.1971 -16.0459 -16.0459 -16.0439 -16.0439 -0.7366 -0.7366 -0.6046 -0.6046 -0.5835 -0.5835 -0.2557 -0.2557 -0.2429 -0.2429 -0.2236 -0.2236 -0.0492 -0.0492 0.3445 0.3445 0.5047 0.5047 0.9197 0.9197 k = 0.2444 0.4234-0.0000 ( 22872 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3132 -16.3132 -16.2093 -16.2093 -16.2083 -16.2083 -16.1980 -16.1980 -16.1971 -16.1971 -16.0459 -16.0459 -16.0439 -16.0439 -0.7862 -0.7862 -0.6047 -0.6047 -0.5910 -0.5910 -0.2557 -0.2557 -0.2424 -0.2424 -0.2253 -0.2253 -0.0511 -0.0511 0.3933 0.3933 0.5437 0.5437 0.8696 0.8696 k = 0.2333 0.4041-0.0000 ( 22866 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3131 -16.3131 -16.2093 -16.2093 -16.2084 -16.2084 -16.1980 -16.1980 -16.1971 -16.1971 -16.0459 -16.0459 -16.0439 -16.0439 -0.8389 -0.8389 -0.6049 -0.6049 -0.5952 -0.5952 -0.2556 -0.2556 -0.2420 -0.2420 -0.2266 -0.2266 -0.0565 -0.0565 0.4380 0.4380 0.5890 0.5890 0.8274 0.8274 k = 0.2222 0.3849-0.0000 ( 22888 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3131 -16.3131 -16.2093 -16.2093 -16.2084 -16.2084 -16.1979 -16.1979 -16.1972 -16.1972 -16.0459 -16.0459 -16.0439 -16.0439 -0.8924 -0.8924 -0.6050 -0.6050 -0.5977 -0.5977 -0.2554 -0.2554 -0.2417 -0.2417 -0.2277 -0.2277 -0.0654 -0.0654 0.4731 0.4731 0.6401 0.6401 0.7987 0.7987 k = 0.2111 0.3657-0.0000 ( 22894 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3130 -16.3130 -16.2092 -16.2092 -16.2085 -16.2085 -16.1979 -16.1979 -16.1972 -16.1972 -16.0459 -16.0459 -16.0439 -16.0439 -0.9453 -0.9453 -0.6052 -0.6052 -0.5992 -0.5992 -0.2551 -0.2551 -0.2416 -0.2416 -0.2286 -0.2286 -0.0775 -0.0775 0.4911 0.4911 0.6968 0.6968 0.7913 0.7913 k = 0.2000 0.3464-0.0000 ( 22888 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3129 -16.3129 -16.2092 -16.2092 -16.2085 -16.2085 -16.1979 -16.1979 -16.1972 -16.1972 -16.0459 -16.0459 -16.0439 -16.0439 -0.9969 -0.9969 -0.6053 -0.6053 -0.6003 -0.6003 -0.2548 -0.2548 -0.2416 -0.2416 -0.2294 -0.2294 -0.0920 -0.0920 0.4873 0.4873 0.7584 0.7584 0.8100 0.8100 k = 0.1889 0.3272-0.0000 ( 22892 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3128 -16.3128 -16.2092 -16.2092 -16.2086 -16.2086 -16.1979 -16.1979 -16.1973 -16.1973 -16.0459 -16.0459 -16.0440 -16.0440 -1.0468 -1.0468 -0.6054 -0.6054 -0.6010 -0.6010 -0.2545 -0.2545 -0.2417 -0.2417 -0.2301 -0.2301 -0.1083 -0.1083 0.4660 0.4660 0.8244 0.8244 0.8503 0.8503 k = 0.1778 0.3079-0.0000 ( 22872 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3127 -16.3127 -16.2092 -16.2092 -16.2086 -16.2086 -16.1979 -16.1979 -16.1973 -16.1973 -16.0459 -16.0459 -16.0440 -16.0440 -1.0946 -1.0946 -0.6054 -0.6054 -0.6015 -0.6015 -0.2541 -0.2541 -0.2420 -0.2420 -0.2308 -0.2308 -0.1258 -0.1258 0.4351 0.4351 0.8944 0.8944 0.9047 0.9047 k = 0.1667 0.2887-0.0000 ( 22862 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3126 -16.3126 -16.2092 -16.2092 -16.2087 -16.2087 -16.1979 -16.1979 -16.1973 -16.1973 -16.0458 -16.0458 -16.0440 -16.0440 -1.1401 -1.1401 -0.6054 -0.6054 -0.6018 -0.6018 -0.2538 -0.2538 -0.2425 -0.2425 -0.2315 -0.2315 -0.1438 -0.1438 0.4000 0.4000 0.9664 0.9664 0.9688 0.9688 k = 0.1556 0.2694-0.0000 ( 22864 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3125 -16.3125 -16.2092 -16.2092 -16.2087 -16.2087 -16.1979 -16.1979 -16.1973 -16.1973 -16.0458 -16.0458 -16.0440 -16.0440 -1.1830 -1.1830 -0.6054 -0.6054 -0.6021 -0.6021 -0.2539 -0.2539 -0.2432 -0.2432 -0.2322 -0.2322 -0.1615 -0.1615 0.3638 0.3638 1.0351 1.0351 1.0447 1.0447 k = 0.1444 0.2502-0.0000 ( 22876 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3123 -16.3123 -16.2092 -16.2092 -16.2087 -16.2087 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.2234 -1.2234 -0.6053 -0.6053 -0.6024 -0.6024 -0.2547 -0.2547 -0.2440 -0.2440 -0.2330 -0.2330 -0.1780 -0.1780 0.3279 0.3279 1.1069 1.1069 1.1238 1.1238 k = 0.1333 0.2309-0.0000 ( 22868 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3122 -16.3122 -16.2092 -16.2092 -16.2088 -16.2088 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.2611 -1.2611 -0.6052 -0.6052 -0.6026 -0.6026 -0.2572 -0.2572 -0.2445 -0.2445 -0.2339 -0.2339 -0.1925 -0.1925 0.2932 0.2932 1.1813 1.1813 1.2051 1.2051 k = 0.1222 0.2117-0.0000 ( 22876 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3121 -16.3121 -16.2092 -16.2092 -16.2088 -16.2088 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.2960 -1.2960 -0.6051 -0.6051 -0.6028 -0.6028 -0.2624 -0.2624 -0.2445 -0.2445 -0.2348 -0.2348 -0.2040 -0.2040 0.2603 0.2603 1.2577 1.2577 1.2881 1.2881 k = 0.1111 0.1925-0.0000 ( 22889 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3120 -16.3120 -16.2092 -16.2092 -16.2088 -16.2088 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.3280 -1.3280 -0.6050 -0.6050 -0.6030 -0.6030 -0.2705 -0.2705 -0.2441 -0.2441 -0.2357 -0.2357 -0.2119 -0.2119 0.2296 0.2296 1.3355 1.3355 1.3724 1.3724 k = 0.1000 0.1732-0.0000 ( 22871 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3119 -16.3119 -16.2093 -16.2093 -16.2088 -16.2088 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.3571 -1.3571 -0.6049 -0.6049 -0.6031 -0.6031 -0.2809 -0.2809 -0.2432 -0.2432 -0.2365 -0.2365 -0.2167 -0.2167 0.2011 0.2011 1.4143 1.4143 1.4574 1.4574 k = 0.0889 0.1540-0.0000 ( 22873 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4707 -16.4707 -16.3118 -16.3118 -16.2093 -16.2093 -16.2089 -16.2089 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.3832 -1.3832 -0.6049 -0.6049 -0.6032 -0.6032 -0.2921 -0.2921 -0.2423 -0.2423 -0.2371 -0.2371 -0.2196 -0.2196 0.1752 0.1752 1.4936 1.4936 1.5422 1.5422 k = 0.0778 0.1347-0.0000 ( 22879 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3117 -16.3117 -16.2093 -16.2093 -16.2089 -16.2089 -16.1979 -16.1979 -16.1974 -16.1974 -16.0457 -16.0457 -16.0441 -16.0441 -1.4064 -1.4064 -0.6048 -0.6048 -0.6034 -0.6034 -0.3032 -0.3032 -0.2414 -0.2414 -0.2375 -0.2375 -0.2214 -0.2214 0.1520 0.1520 1.5726 1.5726 1.6258 1.6258 k = 0.0667 0.1155-0.0000 ( 22883 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3117 -16.3117 -16.2093 -16.2093 -16.2089 -16.2089 -16.1979 -16.1979 -16.1974 -16.1974 -16.0457 -16.0457 -16.0441 -16.0441 -1.4265 -1.4265 -0.6048 -0.6048 -0.6034 -0.6034 -0.3134 -0.3134 -0.2406 -0.2406 -0.2375 -0.2375 -0.2224 -0.2224 0.1315 0.1315 1.6506 1.6506 1.7069 1.7069 k = 0.0556 0.0962-0.0000 ( 22887 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3116 -16.3116 -16.2093 -16.2093 -16.2089 -16.2089 -16.1979 -16.1979 -16.1974 -16.1974 -16.0457 -16.0457 -16.0441 -16.0441 -1.4436 -1.4436 -0.6049 -0.6049 -0.6035 -0.6035 -0.3225 -0.3225 -0.2403 -0.2403 -0.2371 -0.2371 -0.2231 -0.2231 0.1140 0.1140 1.7265 1.7265 1.7833 1.7833 k = 0.0444 0.0770-0.0000 ( 22895 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3115 -16.3115 -16.2093 -16.2093 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.4575 -1.4575 -0.6049 -0.6049 -0.6036 -0.6036 -0.3301 -0.3301 -0.2402 -0.2402 -0.2365 -0.2365 -0.2234 -0.2234 0.0994 0.0994 1.7989 1.7989 1.8521 1.8521 k = 0.0333 0.0577-0.0000 ( 22903 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3115 -16.3115 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.4684 -1.4684 -0.6050 -0.6050 -0.6036 -0.6036 -0.3362 -0.3362 -0.2402 -0.2402 -0.2359 -0.2359 -0.2236 -0.2236 0.0880 0.0880 1.8656 1.8656 1.9089 1.9089 k = 0.0222 0.0385-0.0000 ( 22911 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3115 -16.3115 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.4762 -1.4762 -0.6050 -0.6050 -0.6036 -0.6036 -0.3405 -0.3405 -0.2403 -0.2403 -0.2353 -0.2353 -0.2237 -0.2237 0.0797 0.0797 1.9229 1.9229 1.9498 1.9498 k = 0.0111 0.0192-0.0000 ( 22939 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1980 -16.1980 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.4809 -1.4809 -0.6050 -0.6050 -0.6037 -0.6037 -0.3432 -0.3432 -0.2403 -0.2403 -0.2350 -0.2350 -0.2238 -0.2238 0.0748 0.0748 1.9643 1.9643 1.9735 1.9735 k = 0.0000 0.0000 0.0000 ( 22959 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1980 -16.1980 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.4825 -1.4825 -0.6051 -0.6051 -0.6037 -0.6037 -0.3440 -0.3440 -0.2404 -0.2404 -0.2349 -0.2349 -0.2238 -0.2238 0.0731 0.0731 1.9786 1.9786 1.9825 1.9825 k = 0.0000 0.0000 0.0000 ( 22959 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1980 -16.1980 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.4825 -1.4825 -0.6051 -0.6051 -0.6037 -0.6037 -0.3440 -0.3440 -0.2404 -0.2404 -0.2349 -0.2349 -0.2238 -0.2238 0.0731 0.0731 1.9786 1.9786 1.9825 1.9825 k = 0.0000 0.0000 0.0222 ( 22971 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1980 -16.1980 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.4814 -1.4814 -0.6051 -0.6051 -0.6037 -0.6037 -0.3544 -0.3544 -0.2407 -0.2407 -0.2349 -0.2349 -0.2269 -0.2269 0.0898 0.0898 1.9786 1.9786 1.9825 1.9825 k = 0.0000 0.0000 0.0444 ( 22929 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1980 -16.1980 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.4783 -1.4783 -0.6050 -0.6050 -0.6037 -0.6037 -0.3838 -0.3838 -0.2419 -0.2419 -0.2349 -0.2349 -0.2320 -0.2320 0.1341 0.1341 1.9785 1.9785 1.9824 1.9824 k = 0.0000 0.0000 0.0666 ( 22893 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.4731 -1.4731 -0.6050 -0.6050 -0.6036 -0.6036 -0.4264 -0.4264 -0.2439 -0.2439 -0.2349 -0.2349 -0.2348 -0.2348 0.1961 0.1961 1.9784 1.9784 1.9823 1.9823 k = 0.0000 0.0000 0.0888 ( 22893 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.4660 -1.4660 -0.6050 -0.6050 -0.6036 -0.6036 -0.4759 -0.4759 -0.2458 -0.2458 -0.2360 -0.2360 -0.2349 -0.2349 0.2688 0.2688 1.9783 1.9783 1.9822 1.9822 k = 0.0000 0.0000 0.1110 ( 22839 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.4571 -1.4571 -0.6050 -0.6050 -0.6036 -0.6036 -0.5276 -0.5276 -0.2470 -0.2470 -0.2365 -0.2365 -0.2348 -0.2348 0.3485 0.3485 1.9781 1.9781 1.9820 1.9820 k = 0.0000 0.0000 0.1332 ( 22893 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.4467 -1.4467 -0.6052 -0.6052 -0.6036 -0.6036 -0.5787 -0.5787 -0.2479 -0.2479 -0.2367 -0.2367 -0.2349 -0.2349 0.4330 0.4330 1.9779 1.9779 1.9819 1.9819 k = 0.0000 0.0000 0.1554 ( 22935 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1980 -16.1980 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.4351 -1.4351 -0.6285 -0.6285 -0.6045 -0.6045 -0.6036 -0.6036 -0.2485 -0.2485 -0.2369 -0.2369 -0.2349 -0.2349 0.5210 0.5210 1.9777 1.9777 1.9817 1.9817 k = 0.0000 0.0000 0.1776 ( 22899 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.4227 -1.4227 -0.6741 -0.6741 -0.6047 -0.6047 -0.6036 -0.6036 -0.2488 -0.2488 -0.2369 -0.2369 -0.2349 -0.2349 0.6116 0.6116 1.9492 1.9492 1.9777 1.9777 k = 0.0000 0.0000 0.1998 ( 22869 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.4101 -1.4101 -0.7155 -0.7155 -0.6047 -0.6047 -0.6036 -0.6036 -0.2490 -0.2490 -0.2370 -0.2370 -0.2349 -0.2349 0.7037 0.7037 1.8430 1.8430 1.9775 1.9776 k = 0.0000 0.0000 0.2220 ( 22875 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.3979 -1.3979 -0.7515 -0.7515 -0.6047 -0.6047 -0.6036 -0.6036 -0.2492 -0.2492 -0.2370 -0.2370 -0.2349 -0.2349 0.7962 0.7962 1.7385 1.7385 1.9773 1.9773 k = 0.0000 0.0000 0.2442 ( 22862 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.3870 -1.3870 -0.7811 -0.7811 -0.6047 -0.6047 -0.6036 -0.6036 -0.2493 -0.2493 -0.2370 -0.2370 -0.2349 -0.2349 0.8868 0.8868 1.6382 1.6382 1.9772 1.9774 k = 0.0000 0.0000 0.2664 ( 22898 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.3783 -1.3783 -0.8033 -0.8033 -0.6047 -0.6047 -0.6036 -0.6036 -0.2493 -0.2493 -0.2370 -0.2370 -0.2349 -0.2349 0.9713 0.9713 1.5467 1.5467 1.9771 1.9771 k = 0.0000 0.0000 0.2886 ( 22922 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.3726 -1.3726 -0.8170 -0.8170 -0.6047 -0.6047 -0.6036 -0.6036 -0.2494 -0.2494 -0.2371 -0.2371 -0.2349 -0.2349 1.0388 1.0388 1.4749 1.4749 1.9771 1.9771 k = 0.0000 0.0000 0.3108 ( 22910 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.3706 -1.3706 -0.8217 -0.8217 -0.6047 -0.6047 -0.6036 -0.6036 -0.2494 -0.2494 -0.2371 -0.2371 -0.2349 -0.2349 1.0670 1.0670 1.4453 1.4453 1.9770 1.9771 k = 0.0000 0.0000 0.3108 ( 22910 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.3706 -1.3706 -0.8217 -0.8217 -0.6047 -0.6047 -0.6036 -0.6036 -0.2494 -0.2494 -0.2371 -0.2371 -0.2349 -0.2349 1.0670 1.0670 1.4453 1.4453 1.9770 1.9771 k = 0.0192 0.0111 0.3108 ( 22934 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.3691 -1.3691 -0.8205 -0.8205 -0.6047 -0.6047 -0.6036 -0.6036 -0.2494 -0.2494 -0.2370 -0.2370 -0.2350 -0.2350 1.0674 1.0674 1.4461 1.4461 1.9648 1.9648 k = 0.0385 0.0222 0.3108 ( 22938 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3115 -16.3115 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.3643 -1.3643 -0.8170 -0.8170 -0.6046 -0.6046 -0.6036 -0.6036 -0.2493 -0.2493 -0.2370 -0.2370 -0.2351 -0.2351 1.0686 1.0686 1.4485 1.4485 1.9261 1.9261 k = 0.0577 0.0333 0.3108 ( 22906 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3115 -16.3115 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.3563 -1.3563 -0.8111 -0.8111 -0.6044 -0.6044 -0.6035 -0.6035 -0.2491 -0.2491 -0.2368 -0.2368 -0.2351 -0.2351 1.0704 1.0704 1.4521 1.4521 1.8677 1.8677 k = 0.0769 0.0444 0.3108 ( 22906 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3115 -16.3115 -16.2093 -16.2093 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.3452 -1.3452 -0.8028 -0.8028 -0.6043 -0.6043 -0.6033 -0.6033 -0.2489 -0.2489 -0.2367 -0.2367 -0.2352 -0.2352 1.0728 1.0728 1.4565 1.4565 1.7961 1.7961 k = 0.0962 0.0555 0.3108 ( 22898 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3116 -16.3116 -16.2093 -16.2093 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.3310 -1.3310 -0.7924 -0.7924 -0.6041 -0.6041 -0.6030 -0.6030 -0.2486 -0.2486 -0.2366 -0.2366 -0.2353 -0.2353 1.0755 1.0755 1.4604 1.4604 1.7170 1.7170 k = 0.1154 0.0666 0.3108 ( 22880 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3117 -16.3117 -16.2093 -16.2093 -16.2089 -16.2089 -16.1979 -16.1979 -16.1974 -16.1974 -16.0457 -16.0457 -16.0441 -16.0441 -1.3136 -1.3136 -0.7797 -0.7797 -0.6040 -0.6040 -0.6025 -0.6025 -0.2483 -0.2483 -0.2367 -0.2367 -0.2351 -0.2351 1.0781 1.0781 1.4600 1.4600 1.6372 1.6372 k = 0.1346 0.0777 0.3108 ( 22880 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3117 -16.3117 -16.2093 -16.2093 -16.2089 -16.2089 -16.1979 -16.1979 -16.1974 -16.1974 -16.0457 -16.0457 -16.0441 -16.0441 -1.2930 -1.2930 -0.7649 -0.7649 -0.6039 -0.6039 -0.6019 -0.6019 -0.2479 -0.2479 -0.2369 -0.2369 -0.2348 -0.2348 1.0800 1.0800 1.4420 1.4420 1.5722 1.5722 k = 0.1538 0.0888 0.3108 ( 22858 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4707 -16.4707 -16.3118 -16.3118 -16.2093 -16.2093 -16.2089 -16.2089 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.2694 -1.2694 -0.7482 -0.7482 -0.6038 -0.6038 -0.6009 -0.6009 -0.2475 -0.2475 -0.2372 -0.2372 -0.2343 -0.2343 1.0803 1.0803 1.3858 1.3858 1.5442 1.5442 k = 0.1731 0.0999 0.3108 ( 22878 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3119 -16.3119 -16.2092 -16.2092 -16.2088 -16.2088 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.2427 -1.2427 -0.7297 -0.7297 -0.6037 -0.6037 -0.5996 -0.5996 -0.2471 -0.2471 -0.2375 -0.2375 -0.2337 -0.2337 1.0770 1.0770 1.3048 1.3048 1.5418 1.5418 k = 0.1923 0.1110 0.3108 ( 22878 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3120 -16.3120 -16.2092 -16.2092 -16.2088 -16.2088 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.2129 -1.2129 -0.7099 -0.7099 -0.6037 -0.6037 -0.5977 -0.5977 -0.2467 -0.2467 -0.2378 -0.2378 -0.2330 -0.2330 1.0654 1.0654 1.2210 1.2210 1.5471 1.5471 k = 0.2115 0.1221 0.3108 ( 22882 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3121 -16.3121 -16.2092 -16.2092 -16.2088 -16.2088 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.1801 -1.1801 -0.6892 -0.6892 -0.6036 -0.6036 -0.5948 -0.5948 -0.2463 -0.2463 -0.2382 -0.2382 -0.2321 -0.2321 1.0316 1.0316 1.1536 1.1536 1.5537 1.5537 k = 0.2308 0.1332 0.3108 ( 22882 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3122 -16.3122 -16.2092 -16.2092 -16.2088 -16.2088 -16.1978 -16.1978 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.1443 -1.1443 -0.6685 -0.6685 -0.6036 -0.6036 -0.5901 -0.5901 -0.2459 -0.2459 -0.2384 -0.2384 -0.2312 -0.2312 0.9627 0.9627 1.1166 1.1166 1.5588 1.5588 k = 0.2500 0.1443 0.3108 ( 22902 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3123 -16.3123 -16.2091 -16.2091 -16.2088 -16.2088 -16.1978 -16.1978 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.1055 -1.1055 -0.6498 -0.6498 -0.6035 -0.6035 -0.5820 -0.5820 -0.2457 -0.2457 -0.2385 -0.2385 -0.2301 -0.2301 0.8743 0.8743 1.0947 1.0947 1.5610 1.5610 k = 0.2692 0.1554 0.3108 ( 22902 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3125 -16.3125 -16.2091 -16.2091 -16.2088 -16.2088 -16.1978 -16.1978 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.0639 -1.0639 -0.6352 -0.6352 -0.6035 -0.6035 -0.5685 -0.5685 -0.2454 -0.2454 -0.2385 -0.2385 -0.2288 -0.2288 0.7800 0.7800 1.0739 1.0739 1.5592 1.5592 k = 0.2885 0.1665 0.3108 ( 22866 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3126 -16.3126 -16.2091 -16.2091 -16.2088 -16.2088 -16.1978 -16.1978 -16.1974 -16.1974 -16.0459 -16.0459 -16.0440 -16.0440 -1.0195 -1.0195 -0.6256 -0.6256 -0.6034 -0.6034 -0.5490 -0.5490 -0.2453 -0.2453 -0.2384 -0.2384 -0.2273 -0.2273 0.6843 0.6843 1.0499 1.0499 1.5535 1.5535 k = 0.3077 0.1776 0.3108 ( 22870 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3127 -16.3127 -16.2091 -16.2091 -16.2088 -16.2088 -16.1978 -16.1978 -16.1974 -16.1974 -16.0459 -16.0459 -16.0440 -16.0440 -0.9725 -0.9725 -0.6197 -0.6197 -0.6033 -0.6033 -0.5253 -0.5253 -0.2453 -0.2453 -0.2381 -0.2381 -0.2255 -0.2255 0.5889 0.5889 1.0214 1.0214 1.5444 1.5444 k = 0.3269 0.1887 0.3108 ( 22860 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3128 -16.3128 -16.2090 -16.2090 -16.2088 -16.2088 -16.1977 -16.1977 -16.1974 -16.1974 -16.0459 -16.0459 -16.0439 -16.0439 -0.9229 -0.9229 -0.6157 -0.6157 -0.6032 -0.6032 -0.4995 -0.4995 -0.2454 -0.2454 -0.2378 -0.2378 -0.2232 -0.2232 0.4946 0.4946 0.9887 0.9887 1.5331 1.5331 k = 0.3462 0.1999 0.3108 ( 22888 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3129 -16.3129 -16.2090 -16.2090 -16.2088 -16.2088 -16.1977 -16.1977 -16.1974 -16.1974 -16.0459 -16.0459 -16.0439 -16.0439 -0.8711 -0.8711 -0.6126 -0.6126 -0.6031 -0.6031 -0.4730 -0.4730 -0.2456 -0.2456 -0.2375 -0.2375 -0.2204 -0.2204 0.4019 0.4019 0.9527 0.9527 1.5205 1.5205 k = 0.3654 0.2110 0.3108 ( 22880 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3129 -16.3129 -16.2090 -16.2090 -16.2088 -16.2088 -16.1977 -16.1977 -16.1974 -16.1974 -16.0459 -16.0459 -16.0439 -16.0439 -0.8176 -0.8176 -0.6095 -0.6095 -0.6029 -0.6029 -0.4473 -0.4473 -0.2458 -0.2458 -0.2373 -0.2373 -0.2169 -0.2169 0.3115 0.3115 0.9150 0.9150 1.5079 1.5079 k = 0.3846 0.2221 0.3108 ( 22884 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3130 -16.3130 -16.2090 -16.2090 -16.2088 -16.2088 -16.1977 -16.1977 -16.1974 -16.1974 -16.0459 -16.0459 -16.0439 -16.0439 -0.7633 -0.7633 -0.6060 -0.6060 -0.6018 -0.6018 -0.4233 -0.4233 -0.2461 -0.2461 -0.2375 -0.2375 -0.2127 -0.2127 0.2238 0.2238 0.8771 0.8771 1.4958 1.4958 k = 0.4038 0.2332 0.3108 ( 22868 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3131 -16.3131 -16.2089 -16.2089 -16.2087 -16.2087 -16.1977 -16.1977 -16.1974 -16.1974 -16.0459 -16.0459 -16.0439 -16.0439 -0.7110 -0.7110 -0.6042 -0.6042 -0.5954 -0.5954 -0.4022 -0.4022 -0.2465 -0.2465 -0.2381 -0.2381 -0.2078 -0.2078 0.1396 0.1396 0.8410 0.8410 1.4848 1.4848 k = 0.4231 0.2443 0.3108 ( 22874 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3131 -16.3131 -16.2089 -16.2089 -16.2087 -16.2087 -16.1977 -16.1977 -16.1974 -16.1974 -16.0459 -16.0459 -16.0439 -16.0439 -0.6681 -0.6681 -0.6038 -0.6038 -0.5770 -0.5770 -0.3848 -0.3848 -0.2472 -0.2472 -0.2395 -0.2395 -0.2025 -0.2025 0.0605 0.0605 0.8082 0.8082 1.4754 1.4754 k = 0.4423 0.2554 0.3108 ( 22884 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0459 -16.0459 -16.0439 -16.0439 -0.6439 -0.6439 -0.6036 -0.6036 -0.5389 -0.5389 -0.3720 -0.3720 -0.2492 -0.2492 -0.2419 -0.2419 -0.1978 -0.1978 -0.0110 -0.0110 0.7806 0.7806 1.4678 1.4678 k = 0.4615 0.2665 0.3108 ( 22902 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6341 -0.6341 -0.6036 -0.6036 -0.4874 -0.4874 -0.3655 -0.3655 -0.2560 -0.2560 -0.2439 -0.2439 -0.1949 -0.1949 -0.0694 -0.0694 0.7596 0.7596 1.4622 1.4622 k = 0.4808 0.2776 0.3108 ( 22888 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6302 -0.6302 -0.6035 -0.6035 -0.4345 -0.4345 -0.3688 -0.3688 -0.2692 -0.2692 -0.2446 -0.2446 -0.1946 -0.1946 -0.1065 -0.1065 0.7464 0.7464 1.4588 1.4588 k = 0.5000 0.2887 0.3108 ( 22872 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6292 -0.6292 -0.6035 -0.6035 -0.3945 -0.3945 -0.3878 -0.3878 -0.2776 -0.2776 -0.2448 -0.2448 -0.1951 -0.1951 -0.1185 -0.1185 0.7419 0.7419 1.4577 1.4577 k = 0.5000 0.2887 0.3108 ( 22872 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6292 -0.6292 -0.6035 -0.6035 -0.3945 -0.3945 -0.3878 -0.3878 -0.2776 -0.2776 -0.2448 -0.2448 -0.1951 -0.1951 -0.1185 -0.1185 0.7419 0.7419 1.4577 1.4577 k = 0.4889 0.3079 0.3108 ( 22884 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2087 -16.2087 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6291 -0.6291 -0.6036 -0.6036 -0.3937 -0.3937 -0.3863 -0.3863 -0.2773 -0.2773 -0.2447 -0.2447 -0.1950 -0.1950 -0.1180 -0.1180 0.7428 0.7428 1.4030 1.4030 k = 0.4778 0.3272 0.3108 ( 22904 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3133 -16.3133 -16.2090 -16.2090 -16.2087 -16.2087 -16.1977 -16.1977 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6287 -0.6287 -0.6036 -0.6036 -0.3913 -0.3913 -0.3816 -0.3816 -0.2763 -0.2763 -0.2444 -0.2444 -0.1948 -0.1948 -0.1164 -0.1164 0.7452 0.7452 1.3135 1.3135 k = 0.4667 0.3464 0.3108 ( 22876 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3133 -16.3133 -16.2090 -16.2090 -16.2086 -16.2086 -16.1977 -16.1977 -16.1973 -16.1973 -16.0460 -16.0460 -16.0439 -16.0439 -0.6281 -0.6281 -0.6037 -0.6037 -0.3874 -0.3874 -0.3738 -0.3738 -0.2748 -0.2748 -0.2439 -0.2439 -0.1943 -0.1943 -0.1138 -0.1138 0.7484 0.7484 1.2203 1.2203 k = 0.4556 0.3657 0.3108 ( 22884 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3133 -16.3133 -16.2091 -16.2091 -16.2085 -16.2085 -16.1978 -16.1978 -16.1973 -16.1973 -16.0460 -16.0460 -16.0439 -16.0439 -0.6272 -0.6272 -0.6038 -0.6038 -0.3820 -0.3820 -0.3631 -0.3631 -0.2726 -0.2726 -0.2431 -0.2431 -0.1936 -0.1936 -0.1100 -0.1100 0.7508 0.7508 1.1293 1.1293 k = 0.4444 0.3849 0.3108 ( 22888 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3133 -16.3133 -16.2091 -16.2091 -16.2085 -16.2085 -16.1978 -16.1978 -16.1972 -16.1972 -16.0459 -16.0459 -16.0439 -16.0439 -0.6263 -0.6263 -0.6039 -0.6039 -0.3752 -0.3752 -0.3497 -0.3497 -0.2699 -0.2699 -0.2420 -0.2420 -0.1925 -0.1925 -0.1049 -0.1049 0.7485 0.7485 1.0456 1.0456 k = 0.4333 0.4041 0.3108 ( 22892 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3133 -16.3133 -16.2092 -16.2092 -16.2084 -16.2084 -16.1979 -16.1979 -16.1972 -16.1972 -16.0459 -16.0459 -16.0439 -16.0439 -0.6252 -0.6252 -0.6040 -0.6040 -0.3673 -0.3673 -0.3340 -0.3340 -0.2665 -0.2665 -0.2405 -0.2405 -0.1911 -0.1911 -0.0982 -0.0982 0.7331 0.7331 0.9784 0.9784 k = 0.4222 0.4234 0.3108 ( 22894 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3133 -16.3133 -16.2092 -16.2092 -16.2083 -16.2083 -16.1979 -16.1979 -16.1971 -16.1971 -16.0459 -16.0459 -16.0439 -16.0439 -0.6241 -0.6241 -0.6041 -0.6041 -0.3586 -0.3586 -0.3169 -0.3169 -0.2620 -0.2620 -0.2384 -0.2384 -0.1891 -0.1891 -0.0898 -0.0898 0.6932 0.6932 0.9398 0.9398 k = 0.4111 0.4426 0.3108 ( 22886 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4710 -16.4710 -16.4706 -16.4706 -16.3134 -16.3134 -16.2093 -16.2093 -16.2083 -16.2083 -16.1980 -16.1980 -16.1971 -16.1971 -16.0459 -16.0459 -16.0439 -16.0439 -0.6230 -0.6230 -0.6042 -0.6042 -0.3492 -0.3492 -0.3003 -0.3003 -0.2553 -0.2553 -0.2351 -0.2351 -0.1865 -0.1865 -0.0795 -0.0795 0.6279 0.6279 0.9306 0.9306 k = 0.4000 0.4619 0.3108 ( 22882 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3134 -16.3134 -16.2093 -16.2093 -16.2082 -16.2082 -16.1980 -16.1980 -16.1971 -16.1971 -16.0459 -16.0459 -16.0439 -16.0439 -0.6219 -0.6219 -0.6043 -0.6043 -0.3397 -0.3397 -0.2876 -0.2876 -0.2467 -0.2467 -0.2274 -0.2274 -0.1831 -0.1831 -0.0668 -0.0668 0.5482 0.5482 0.9403 0.9403 k = 0.3889 0.4811 0.3108 ( 22880 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3134 -16.3134 -16.2093 -16.2093 -16.2082 -16.2082 -16.1980 -16.1980 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6210 -0.6210 -0.6044 -0.6044 -0.3304 -0.3304 -0.2800 -0.2800 -0.2409 -0.2409 -0.2101 -0.2101 -0.1782 -0.1782 -0.0515 -0.0515 0.4627 0.4627 0.9606 0.9606 k = 0.3778 0.5004 0.3108 ( 22878 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3134 -16.3134 -16.2094 -16.2094 -16.2082 -16.2082 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6201 -0.6201 -0.6044 -0.6044 -0.3219 -0.3219 -0.2759 -0.2759 -0.2381 -0.2381 -0.1890 -0.1890 -0.1682 -0.1682 -0.0333 -0.0333 0.3756 0.3756 0.9876 0.9876 k = 0.3667 0.5196 0.3108 ( 22886 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3134 -16.3134 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6194 -0.6194 -0.6044 -0.6044 -0.3145 -0.3145 -0.2736 -0.2736 -0.2365 -0.2365 -0.1780 -0.1780 -0.1434 -0.1434 -0.0118 -0.0118 0.2894 0.2894 1.0195 1.0195 k = 0.3556 0.5389 0.3108 ( 22888 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3134 -16.3134 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6189 -0.6189 -0.6045 -0.6045 -0.3088 -0.3088 -0.2722 -0.2722 -0.2355 -0.2355 -0.1730 -0.1730 -0.1107 -0.1107 0.0130 0.0130 0.2061 0.2061 1.0554 1.0554 k = 0.3444 0.5581 0.3108 ( 22902 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6186 -0.6186 -0.6045 -0.6045 -0.3050 -0.3050 -0.2714 -0.2714 -0.2349 -0.2349 -0.1700 -0.1700 -0.0782 -0.0782 0.0413 0.0413 0.1297 0.1297 1.0948 1.0948 k = 0.3333 0.5774 0.3108 ( 22938 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0460 -16.0460 -16.0439 -16.0439 -0.6185 -0.6185 -0.6045 -0.6045 -0.3037 -0.3037 -0.2710 -0.2710 -0.2348 -0.2348 -0.1689 -0.1689 -0.0600 -0.0600 0.0684 0.0684 0.0789 0.0789 1.1352 1.1352 k = 0.3333 0.5774 0.3108 ( 22938 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0460 -16.0460 -16.0439 -16.0439 -0.6185 -0.6185 -0.6045 -0.6045 -0.3037 -0.3037 -0.2710 -0.2710 -0.2348 -0.2348 -0.1689 -0.1689 -0.0600 -0.0600 0.0684 0.0684 0.0789 0.0789 1.1352 1.1352 k = 0.3222 0.5581 0.3108 ( 22904 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6186 -0.6186 -0.6045 -0.6045 -0.3053 -0.3053 -0.2716 -0.2716 -0.2349 -0.2349 -0.1704 -0.1704 -0.0863 -0.0863 0.0699 0.0699 0.1100 0.1100 1.0966 1.0966 k = 0.3111 0.5389 0.3108 ( 22870 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3134 -16.3134 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6190 -0.6190 -0.6045 -0.6045 -0.3112 -0.3112 -0.2748 -0.2748 -0.2355 -0.2355 -0.1779 -0.1779 -0.1371 -0.1371 0.1055 0.1055 0.1491 0.1491 1.0629 1.0629 k = 0.3000 0.5196 0.3108 ( 22880 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3134 -16.3134 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6199 -0.6199 -0.6045 -0.6045 -0.3264 -0.3264 -0.2837 -0.2837 -0.2366 -0.2366 -0.2042 -0.2042 -0.1650 -0.1650 0.1536 0.1536 0.1917 0.1917 1.0364 1.0364 k = 0.2889 0.5004 0.3108 ( 22890 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3134 -16.3134 -16.2094 -16.2094 -16.2082 -16.2082 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6213 -0.6213 -0.6045 -0.6045 -0.3620 -0.3620 -0.2982 -0.2982 -0.2390 -0.2390 -0.2262 -0.2262 -0.1748 -0.1748 0.2073 0.2073 0.2377 0.2377 1.0173 1.0173 k = 0.2778 0.4811 0.3108 ( 22886 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3134 -16.3134 -16.2094 -16.2094 -16.2082 -16.2082 -16.1980 -16.1980 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6239 -0.6239 -0.6046 -0.6046 -0.4163 -0.4163 -0.3125 -0.3125 -0.2422 -0.2422 -0.2326 -0.2326 -0.1828 -0.1828 0.2649 0.2649 0.2867 0.2867 1.0053 1.0053 k = 0.2667 0.4619 0.3108 ( 22874 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3133 -16.3133 -16.2093 -16.2093 -16.2082 -16.2082 -16.1980 -16.1980 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6287 -0.6287 -0.6047 -0.6047 -0.4757 -0.4757 -0.3276 -0.3276 -0.2440 -0.2440 -0.2347 -0.2347 -0.1904 -0.1904 0.3256 0.3256 0.3388 0.3388 1.0002 1.0002 k = 0.2556 0.4426 0.3108 ( 22870 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3133 -16.3133 -16.2093 -16.2093 -16.2083 -16.2083 -16.1980 -16.1980 -16.1971 -16.1971 -16.0459 -16.0459 -16.0439 -16.0439 -0.6393 -0.6393 -0.6050 -0.6050 -0.5309 -0.5309 -0.3452 -0.3452 -0.2446 -0.2446 -0.2359 -0.2359 -0.1976 -0.1976 0.3885 0.3885 0.3943 0.3943 1.0013 1.0013 k = 0.2444 0.4234 0.3108 ( 22866 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3132 -16.3132 -16.2093 -16.2093 -16.2083 -16.2083 -16.1980 -16.1980 -16.1971 -16.1971 -16.0459 -16.0459 -16.0439 -16.0439 -0.6642 -0.6642 -0.6053 -0.6053 -0.5708 -0.5708 -0.3657 -0.3657 -0.2448 -0.2448 -0.2369 -0.2369 -0.2040 -0.2040 0.4493 0.4493 0.4571 0.4571 1.0079 1.0079 k = 0.2333 0.4041 0.3108 ( 22874 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3131 -16.3131 -16.2093 -16.2093 -16.2084 -16.2084 -16.1980 -16.1980 -16.1971 -16.1971 -16.0459 -16.0459 -16.0439 -16.0439 -0.7080 -0.7080 -0.6061 -0.6061 -0.5901 -0.5901 -0.3890 -0.3890 -0.2447 -0.2447 -0.2377 -0.2377 -0.2095 -0.2095 0.5094 0.5094 0.5254 0.5254 1.0189 1.0189 k = 0.2222 0.3849 0.3108 ( 22890 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3131 -16.3131 -16.2093 -16.2093 -16.2084 -16.2084 -16.1979 -16.1979 -16.1972 -16.1972 -16.0459 -16.0459 -16.0439 -16.0439 -0.7610 -0.7610 -0.6074 -0.6074 -0.5976 -0.5976 -0.4146 -0.4146 -0.2446 -0.2446 -0.2384 -0.2384 -0.2139 -0.2139 0.5713 0.5713 0.5963 0.5963 1.0335 1.0335 k = 0.2111 0.3657 0.3108 ( 22914 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3130 -16.3130 -16.2092 -16.2092 -16.2085 -16.2085 -16.1979 -16.1979 -16.1972 -16.1972 -16.0459 -16.0459 -16.0439 -16.0439 -0.8158 -0.8158 -0.6093 -0.6093 -0.6006 -0.6006 -0.4418 -0.4418 -0.2444 -0.2444 -0.2389 -0.2389 -0.2176 -0.2176 0.6351 0.6351 0.6693 0.6693 1.0507 1.0507 k = 0.2000 0.3464 0.3108 ( 22898 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3129 -16.3129 -16.2092 -16.2092 -16.2085 -16.2085 -16.1979 -16.1979 -16.1972 -16.1972 -16.0459 -16.0459 -16.0439 -16.0439 -0.8697 -0.8697 -0.6117 -0.6117 -0.6018 -0.6018 -0.4698 -0.4698 -0.2444 -0.2444 -0.2393 -0.2393 -0.2206 -0.2206 0.7003 0.7003 0.7443 0.7443 1.0694 1.0694 k = 0.1889 0.3272 0.3108 ( 22904 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3128 -16.3128 -16.2092 -16.2092 -16.2086 -16.2086 -16.1979 -16.1979 -16.1973 -16.1973 -16.0459 -16.0459 -16.0440 -16.0440 -0.9218 -0.9218 -0.6146 -0.6146 -0.6024 -0.6024 -0.4978 -0.4978 -0.2444 -0.2444 -0.2396 -0.2396 -0.2231 -0.2231 0.7665 0.7665 0.8209 0.8209 1.0889 1.0889 k = 0.1778 0.3079 0.3108 ( 22892 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3127 -16.3127 -16.2092 -16.2092 -16.2086 -16.2086 -16.1979 -16.1979 -16.1973 -16.1973 -16.0459 -16.0459 -16.0440 -16.0440 -0.9716 -0.9716 -0.6184 -0.6184 -0.6028 -0.6028 -0.5247 -0.5247 -0.2445 -0.2445 -0.2396 -0.2396 -0.2252 -0.2252 0.8327 0.8327 0.8990 0.8990 1.1091 1.1091 k = 0.1667 0.2887 0.3108 ( 22896 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3126 -16.3126 -16.2092 -16.2092 -16.2087 -16.2087 -16.1979 -16.1979 -16.1973 -16.1973 -16.0459 -16.0459 -16.0440 -16.0440 -1.0188 -1.0188 -0.6243 -0.6243 -0.6030 -0.6030 -0.5491 -0.5491 -0.2447 -0.2447 -0.2396 -0.2396 -0.2270 -0.2270 0.8974 0.8974 0.9780 0.9780 1.1305 1.1305 k = 0.1556 0.2694 0.3108 ( 22896 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3125 -16.3125 -16.2092 -16.2092 -16.2087 -16.2087 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.0634 -1.0634 -0.6340 -0.6340 -0.6032 -0.6032 -0.5689 -0.5689 -0.2450 -0.2450 -0.2394 -0.2394 -0.2286 -0.2286 0.9575 0.9575 1.0576 1.0576 1.1556 1.1556 k = 0.1444 0.2502 0.3108 ( 22882 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3123 -16.3123 -16.2092 -16.2092 -16.2087 -16.2087 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.1051 -1.1051 -0.6488 -0.6488 -0.6033 -0.6033 -0.5824 -0.5824 -0.2454 -0.2454 -0.2391 -0.2391 -0.2299 -0.2299 1.0079 1.0079 1.1369 1.1369 1.1890 1.1890 k = 0.1333 0.2309 0.3108 ( 22900 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3122 -16.3122 -16.2092 -16.2092 -16.2088 -16.2088 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.1439 -1.1439 -0.6678 -0.6678 -0.6034 -0.6034 -0.5904 -0.5904 -0.2458 -0.2458 -0.2388 -0.2388 -0.2310 -0.2310 1.0436 1.0436 1.2149 1.2149 1.2356 1.2356 k = 0.1222 0.2117 0.3108 ( 22886 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3121 -16.3121 -16.2092 -16.2092 -16.2088 -16.2088 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.1798 -1.1798 -0.6887 -0.6887 -0.6035 -0.6035 -0.5950 -0.5950 -0.2463 -0.2463 -0.2384 -0.2384 -0.2320 -0.2320 1.0647 1.0647 1.2893 1.2893 1.2954 1.2954 k = 0.1111 0.1925 0.3108 ( 22892 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3120 -16.3120 -16.2092 -16.2092 -16.2088 -16.2088 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.2126 -1.2126 -0.7096 -0.7096 -0.6036 -0.6036 -0.5979 -0.5979 -0.2467 -0.2467 -0.2380 -0.2380 -0.2329 -0.2329 1.0756 1.0756 1.3570 1.3570 1.3639 1.3639 k = 0.1000 0.1732 0.3108 ( 22892 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4709 -16.4709 -16.4707 -16.4707 -16.3119 -16.3119 -16.2093 -16.2093 -16.2088 -16.2088 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0440 -16.0440 -1.2425 -1.2425 -0.7295 -0.7295 -0.6037 -0.6037 -0.5997 -0.5997 -0.2471 -0.2471 -0.2376 -0.2376 -0.2336 -0.2336 1.0804 1.0804 1.4117 1.4117 1.4371 1.4371 k = 0.0889 0.1540 0.3108 ( 22900 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3118 -16.3118 -16.2093 -16.2093 -16.2089 -16.2089 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0441 -16.0441 -1.2692 -1.2692 -0.7481 -0.7481 -0.6038 -0.6038 -0.6010 -0.6010 -0.2475 -0.2475 -0.2372 -0.2372 -0.2343 -0.2343 1.0814 1.0814 1.4462 1.4462 1.5129 1.5129 k = 0.0778 0.1347 0.3108 ( 22900 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3117 -16.3117 -16.2093 -16.2093 -16.2089 -16.2089 -16.1979 -16.1979 -16.1974 -16.1974 -16.0458 -16.0458 -16.0441 -16.0441 -1.2929 -1.2929 -0.7648 -0.7648 -0.6039 -0.6039 -0.6019 -0.6019 -0.2479 -0.2479 -0.2369 -0.2369 -0.2348 -0.2348 1.0804 1.0804 1.4611 1.4611 1.5897 1.5897 k = 0.0667 0.1155 0.3108 ( 22884 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3117 -16.3117 -16.2093 -16.2093 -16.2089 -16.2089 -16.1979 -16.1979 -16.1974 -16.1974 -16.0457 -16.0457 -16.0441 -16.0441 -1.3135 -1.3135 -0.7796 -0.7796 -0.6040 -0.6040 -0.6026 -0.6026 -0.2483 -0.2483 -0.2367 -0.2367 -0.2351 -0.2351 1.0782 1.0782 1.4639 1.4639 1.6659 1.6659 k = 0.0556 0.0962 0.3108 ( 22892 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3116 -16.3116 -16.2093 -16.2093 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.3309 -1.3309 -0.7923 -0.7923 -0.6041 -0.6041 -0.6030 -0.6030 -0.2486 -0.2486 -0.2366 -0.2366 -0.2353 -0.2353 1.0755 1.0755 1.4612 1.4612 1.7401 1.7401 k = 0.0444 0.0770 0.3108 ( 22894 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3115 -16.3115 -16.2093 -16.2093 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.3452 -1.3452 -0.8028 -0.8028 -0.6043 -0.6043 -0.6033 -0.6033 -0.2489 -0.2489 -0.2367 -0.2367 -0.2352 -0.2352 1.0728 1.0728 1.4567 1.4567 1.8104 1.8104 k = 0.0333 0.0577 0.3108 ( 22896 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3115 -16.3115 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.3563 -1.3563 -0.8110 -0.8110 -0.6044 -0.6044 -0.6035 -0.6035 -0.2491 -0.2491 -0.2368 -0.2368 -0.2351 -0.2351 1.0704 1.0704 1.4521 1.4521 1.8744 1.8744 k = 0.0222 0.0385 0.3108 ( 22924 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3115 -16.3115 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.3643 -1.3643 -0.8170 -0.8170 -0.6046 -0.6046 -0.6036 -0.6036 -0.2493 -0.2493 -0.2370 -0.2370 -0.2350 -0.2350 1.0686 1.0686 1.4485 1.4485 1.9279 1.9279 k = 0.0111 0.0192 0.3108 ( 22928 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.3690 -1.3690 -0.8205 -0.8205 -0.6047 -0.6047 -0.6036 -0.6036 -0.2494 -0.2494 -0.2370 -0.2370 -0.2350 -0.2350 1.0674 1.0674 1.4461 1.4461 1.9649 1.9650 k = 0.0000 0.0000 0.3108 ( 22910 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3114 -16.3114 -16.2094 -16.2094 -16.2089 -16.2089 -16.1979 -16.1979 -16.1975 -16.1975 -16.0457 -16.0457 -16.0441 -16.0441 -1.3706 -1.3706 -0.8217 -0.8217 -0.6047 -0.6047 -0.6036 -0.6036 -0.2494 -0.2494 -0.2371 -0.2371 -0.2349 -0.2349 1.0670 1.0670 1.4453 1.4453 1.9771 1.9772 k = 0.5000 0.2887 0.3108 ( 22872 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6292 -0.6292 -0.6035 -0.6035 -0.3945 -0.3945 -0.3878 -0.3878 -0.2776 -0.2776 -0.2448 -0.2448 -0.1951 -0.1951 -0.1185 -0.1185 0.7419 0.7419 1.4577 1.4577 k = 0.5000 0.2887 0.2886 ( 22882 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6296 -0.6296 -0.6036 -0.6036 -0.4163 -0.4163 -0.3683 -0.3683 -0.2741 -0.2741 -0.2448 -0.2448 -0.1946 -0.1946 -0.1188 -0.1188 0.7454 0.7454 1.4546 1.4546 k = 0.5000 0.2887 0.2664 ( 22914 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6307 -0.6307 -0.6036 -0.6036 -0.4412 -0.4412 -0.3508 -0.3508 -0.2637 -0.2637 -0.2446 -0.2446 -0.1930 -0.1930 -0.1193 -0.1193 0.7558 0.7558 1.4450 1.4450 k = 0.5000 0.2887 0.2442 ( 22894 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6327 -0.6327 -0.6037 -0.6037 -0.4646 -0.4646 -0.3392 -0.3392 -0.2499 -0.2499 -0.2432 -0.2432 -0.1901 -0.1901 -0.1181 -0.1181 0.7729 0.7729 1.4279 1.4279 k = 0.5000 0.2887 0.2220 ( 22896 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6358 -0.6358 -0.6038 -0.6038 -0.4855 -0.4855 -0.3321 -0.3321 -0.2459 -0.2459 -0.2328 -0.2328 -0.1865 -0.1865 -0.1112 -0.1112 0.7962 0.7962 1.4024 1.4024 k = 0.5000 0.2887 0.1998 ( 22890 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6402 -0.6402 -0.6039 -0.6039 -0.5033 -0.5033 -0.3275 -0.3275 -0.2457 -0.2457 -0.2238 -0.2238 -0.1851 -0.1851 -0.0940 -0.0940 0.8251 0.8251 1.3678 1.3678 k = 0.5000 0.2887 0.1776 ( 22892 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6459 -0.6459 -0.6040 -0.6040 -0.5177 -0.5177 -0.3240 -0.3240 -0.2457 -0.2457 -0.2191 -0.2191 -0.1878 -0.1878 -0.0664 -0.0664 0.8592 0.8592 1.3251 1.3251 k = 0.5000 0.2887 0.1554 ( 22882 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6527 -0.6527 -0.6041 -0.6041 -0.5288 -0.5288 -0.3210 -0.3210 -0.2458 -0.2458 -0.2174 -0.2174 -0.1932 -0.1932 -0.0326 -0.0326 0.8976 0.8976 1.2765 1.2765 k = 0.5000 0.2887 0.1332 ( 22900 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6602 -0.6602 -0.6041 -0.6041 -0.5368 -0.5368 -0.3183 -0.3183 -0.2460 -0.2460 -0.2181 -0.2181 -0.1991 -0.1991 0.0040 0.0040 0.9395 0.9395 1.2253 1.2253 k = 0.5000 0.2887 0.1110 ( 22916 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6678 -0.6678 -0.6042 -0.6042 -0.5423 -0.5423 -0.3156 -0.3156 -0.2464 -0.2464 -0.2215 -0.2215 -0.2032 -0.2032 0.0406 0.0406 0.9840 0.9840 1.1747 1.1747 k = 0.5000 0.2887 0.0888 ( 22906 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6748 -0.6748 -0.6041 -0.6041 -0.5460 -0.5460 -0.3129 -0.3129 -0.2469 -0.2469 -0.2270 -0.2270 -0.2052 -0.2052 0.0750 0.0750 1.0295 1.0295 1.1279 1.1279 k = 0.5000 0.2887 0.0666 ( 22904 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6807 -0.6807 -0.6041 -0.6041 -0.5483 -0.5483 -0.3103 -0.3103 -0.2477 -0.2477 -0.2326 -0.2326 -0.2061 -0.2061 0.1052 0.1052 1.0722 1.0722 1.0892 1.0892 k = 0.5000 0.2887 0.0444 ( 22926 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6852 -0.6852 -0.6041 -0.6041 -0.5497 -0.5497 -0.3080 -0.3080 -0.2491 -0.2491 -0.2368 -0.2368 -0.2064 -0.2064 0.1289 0.1289 1.0550 1.0550 1.1148 1.1148 k = 0.5000 0.2887 0.0222 ( 22932 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6880 -0.6880 -0.6041 -0.6041 -0.5505 -0.5505 -0.3064 -0.3064 -0.2506 -0.2506 -0.2390 -0.2390 -0.2066 -0.2066 0.1442 0.1442 1.0352 1.0352 1.1438 1.1438 k = 0.5000 0.2887-0.0000 ( 22928 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4711 -16.4711 -16.4705 -16.4705 -16.3132 -16.3132 -16.2089 -16.2089 -16.2088 -16.2088 -16.1976 -16.1976 -16.1974 -16.1974 -16.0460 -16.0460 -16.0439 -16.0439 -0.6889 -0.6889 -0.6041 -0.6041 -0.5507 -0.5507 -0.3058 -0.3058 -0.2512 -0.2512 -0.2397 -0.2397 -0.2066 -0.2066 0.1494 0.1494 1.0284 1.0284 1.1548 1.1548 k = 0.3333 0.5774-0.0000 ( 22914 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6321 -0.6321 -0.6042 -0.6042 -0.4369 -0.4369 -0.2556 -0.2556 -0.2438 -0.2438 -0.2002 -0.2002 0.0173 0.0173 0.0196 0.0196 0.3817 0.3817 1.2323 1.2323 k = 0.3333 0.5774 0.0222 ( 22896 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6318 -0.6318 -0.6042 -0.6042 -0.4359 -0.4359 -0.2558 -0.2558 -0.2437 -0.2437 -0.2002 -0.2002 0.0181 0.0181 0.0202 0.0202 0.3756 0.3756 1.2408 1.2408 k = 0.3333 0.5774 0.0444 ( 22890 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6312 -0.6312 -0.6042 -0.6042 -0.4329 -0.4329 -0.2564 -0.2564 -0.2435 -0.2435 -0.2003 -0.2003 0.0203 0.0203 0.0219 0.0219 0.3578 0.3578 1.2653 1.2653 k = 0.3333 0.5774 0.0666 ( 22899 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6301 -0.6301 -0.6042 -0.6042 -0.4279 -0.4279 -0.2575 -0.2575 -0.2431 -0.2431 -0.2004 -0.2004 0.0238 0.0238 0.0246 0.0246 0.3304 0.3304 1.3041 1.3041 k = 0.3333 0.5774 0.0888 ( 22899 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6288 -0.6288 -0.6042 -0.6042 -0.4208 -0.4208 -0.2588 -0.2588 -0.2426 -0.2426 -0.2005 -0.2005 0.0283 0.0283 0.0286 0.0286 0.2957 0.2957 1.3542 1.3542 k = 0.3333 0.5774 0.1110 ( 22887 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6273 -0.6273 -0.6042 -0.6042 -0.4116 -0.4116 -0.2604 -0.2604 -0.2419 -0.2419 -0.2004 -0.2004 0.0327 0.0327 0.0343 0.0343 0.2561 0.2561 1.3479 1.3479 k = 0.3333 0.5774 0.1332 ( 22875 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6257 -0.6257 -0.6043 -0.6043 -0.4005 -0.4005 -0.2621 -0.2621 -0.2412 -0.2412 -0.2002 -0.2002 0.0378 0.0378 0.0407 0.0407 0.2136 0.2136 1.3080 1.3081 k = 0.3333 0.5774 0.1554 ( 22872 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1969 -16.1969 -16.0459 -16.0459 -16.0439 -16.0439 -0.6241 -0.6241 -0.6043 -0.6043 -0.3874 -0.3874 -0.2638 -0.2638 -0.2403 -0.2403 -0.1996 -0.1996 0.0431 0.0431 0.0475 0.0475 0.1697 0.1697 1.2706 1.2706 k = 0.3333 0.5774 0.1776 ( 22893 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6227 -0.6227 -0.6044 -0.6044 -0.3728 -0.3728 -0.2655 -0.2655 -0.2394 -0.2394 -0.1985 -0.1985 0.0486 0.0486 0.0543 0.0543 0.1258 0.1258 1.2366 1.2366 k = 0.3333 0.5774 0.1998 ( 22902 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0460 -16.0460 -16.0439 -16.0439 -0.6214 -0.6214 -0.6044 -0.6044 -0.3571 -0.3571 -0.2670 -0.2670 -0.2384 -0.2384 -0.1964 -0.1964 0.0538 0.0538 0.0609 0.0609 0.0829 0.0829 1.2067 1.2067 k = 0.3333 0.5774 0.2220 ( 22902 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0459 -16.0459 -16.0439 -16.0439 -0.6204 -0.6204 -0.6044 -0.6044 -0.3413 -0.3413 -0.2684 -0.2684 -0.2374 -0.2374 -0.1930 -0.1930 0.0420 0.0420 0.0588 0.0588 0.0669 0.0669 1.1816 1.1816 k = 0.3333 0.5774 0.2442 ( 22905 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0460 -16.0460 -16.0439 -16.0439 -0.6195 -0.6195 -0.6045 -0.6045 -0.3265 -0.3265 -0.2695 -0.2695 -0.2364 -0.2364 -0.1876 -0.1876 0.0047 0.0047 0.0628 0.0628 0.0719 0.0719 1.1616 1.1616 k = 0.3333 0.5774 0.2664 ( 22899 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0460 -16.0460 -16.0439 -16.0439 -0.6189 -0.6189 -0.6045 -0.6045 -0.3144 -0.3144 -0.2703 -0.2703 -0.2356 -0.2356 -0.1803 -0.1803 -0.0275 -0.0275 0.0659 0.0659 0.0757 0.0757 1.1470 1.1470 k = 0.3333 0.5774 0.2886 ( 22914 PWs) bands (ev): -76.4683 -76.4683 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0460 -16.0460 -16.0439 -16.0439 -0.6186 -0.6186 -0.6045 -0.6045 -0.3064 -0.3064 -0.2708 -0.2708 -0.2350 -0.2350 -0.1726 -0.1726 -0.0509 -0.0509 0.0678 0.0678 0.0781 0.0781 1.1382 1.1382 k = 0.3333 0.5774 0.3108 ( 22938 PWs) bands (ev): -76.4684 -76.4684 -47.1247 -47.1247 -43.2475 -43.2475 -43.2425 -43.2425 -32.8290 -32.8290 -32.8290 -32.8290 -32.6585 -32.6585 -16.4708 -16.4708 -16.4708 -16.4708 -16.3135 -16.3135 -16.2094 -16.2094 -16.2081 -16.2081 -16.1981 -16.1981 -16.1970 -16.1970 -16.0460 -16.0460 -16.0439 -16.0439 -0.6185 -0.6185 -0.6045 -0.6045 -0.3037 -0.3037 -0.2710 -0.2710 -0.2348 -0.2348 -0.1689 -0.1689 -0.0600 -0.0600 0.0684 0.0684 0.0789 0.0789 1.1352 1.1352 Writing output data file K3Rh.save init_run : 0.63s CPU 0.80s WALL ( 1 calls) electrons : 365.47s CPU 368.35s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 365.47s CPU 368.34s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.03s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.02s CPU 0.03s WALL ( 1 calls) newd : 0.15s CPU 0.25s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.10s WALL ( 193 calls) cegterg : 335.90s CPU 338.07s WALL ( 356 calls) Called by sum_band: Called by *egterg: h_psi : 216.03s CPU 218.29s WALL ( 6414 calls) s_psi : 5.21s CPU 5.29s WALL ( 6414 calls) g_psi : 0.48s CPU 0.40s WALL ( 5865 calls) cdiaghg : 101.15s CPU 101.36s WALL ( 6058 calls) cegterg:over : 14.32s CPU 14.48s WALL ( 5865 calls) cegterg:upda : 12.74s CPU 12.69s WALL ( 5865 calls) cegterg:last : 5.37s CPU 5.34s WALL ( 742 calls) cdiaghg:chol : 3.98s CPU 3.81s WALL ( 6058 calls) cdiaghg:inve : 2.10s CPU 2.05s WALL ( 6058 calls) cdiaghg:para : 6.87s CPU 7.03s WALL ( 12116 calls) Called by h_psi: h_psi:vloc : 203.14s CPU 205.16s WALL ( 6414 calls) h_psi:vnl : 12.52s CPU 12.71s WALL ( 6414 calls) add_vuspsi : 5.78s CPU 5.83s WALL ( 6414 calls) General routines calbec : 6.72s CPU 6.86s WALL ( 6414 calls) fft : 0.04s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 196.01s CPU 198.02s WALL ( 503016 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.19s CPU 0.34s WALL ( 386 calls) Parallel routines fft_scatter : 123.95s CPU 124.98s WALL ( 503039 calls) PWSCF : 6m58.84s CPU 7m17.06s WALL This run was terminated on: 5:53:26 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=