Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 9:30:52 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: ./HfxTe2Cl3x2.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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 48 34 9 2330 1420 204 Max 49 35 10 2336 1440 212 Sum 3483 2519 687 167927 102943 14931 bravais-lattice index = 14 lattice parameter (alat) = 12.8048 a.u. unit-cell volume = 2291.9770 (a.u.)^3 number of atoms/cell = 11 number of atomic types = 3 number of electrons = 78.00 number of Kohn-Sham states= 94 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.804783 celldm(2)= 1.008412 celldm(3)= 1.162928 celldm(4)= 0.276812 celldm(5)= 0.246830 celldm(6)= 0.091675 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.092447 1.004166 0.000000 ) a(3) = ( 0.287045 0.296847 1.087147 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.092063 -0.238898 ) b(2) = ( 0.000000 0.995852 -0.271919 ) b(3) = ( 0.000000 0.000000 0.919839 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 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 Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 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 Hf 12.00 178.49000 Hf( 1.00) Cl 7.00 35.45300 Cl( 1.00) Te 6.00 127.60000 Te( 1.00) 2 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 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -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 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 201 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.5000000 -0.0460316 -0.1194488), wk = 0.0049751 k( 2) = ( 0.4791667 -0.0441136 -0.1144717), wk = 0.0049751 k( 3) = ( 0.4583333 -0.0421956 -0.1094947), wk = 0.0049751 k( 4) = ( 0.4375000 -0.0402776 -0.1045177), wk = 0.0049751 k( 5) = ( 0.4166667 -0.0383596 -0.0995406), wk = 0.0049751 k( 6) = ( 0.3958333 -0.0364416 -0.0945636), wk = 0.0049751 k( 7) = ( 0.3750000 -0.0345237 -0.0895866), wk = 0.0049751 k( 8) = ( 0.3541667 -0.0326057 -0.0846096), wk = 0.0049751 k( 9) = ( 0.3333333 -0.0306877 -0.0796325), wk = 0.0049751 k( 10) = ( 0.3125000 -0.0287697 -0.0746555), wk = 0.0049751 k( 11) = ( 0.2916667 -0.0268517 -0.0696785), wk = 0.0049751 k( 12) = ( 0.2708333 -0.0249338 -0.0647014), wk = 0.0049751 k( 13) = ( 0.2500000 -0.0230158 -0.0597244), wk = 0.0049751 k( 14) = ( 0.2291667 -0.0210978 -0.0547474), wk = 0.0049751 k( 15) = ( 0.2083333 -0.0191798 -0.0497703), wk = 0.0049751 k( 16) = ( 0.1875000 -0.0172618 -0.0447933), wk = 0.0049751 k( 17) = ( 0.1666667 -0.0153439 -0.0398163), wk = 0.0049751 k( 18) = ( 0.1458333 -0.0134259 -0.0348392), wk = 0.0049751 k( 19) = ( 0.1250000 -0.0115079 -0.0298622), wk = 0.0049751 k( 20) = ( 0.1041667 -0.0095899 -0.0248852), wk = 0.0049751 k( 21) = ( 0.0833333 -0.0076719 -0.0199081), wk = 0.0049751 k( 22) = ( 0.0625000 -0.0057539 -0.0149311), wk = 0.0049751 k( 23) = ( 0.0416667 -0.0038360 -0.0099541), wk = 0.0049751 k( 24) = ( 0.0208333 -0.0019180 -0.0049770), wk = 0.0049751 k( 25) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 26) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 27) = ( 0.0000000 0.0207469 -0.0056650), wk = 0.0049751 k( 28) = ( 0.0000000 0.0414938 -0.0113299), wk = 0.0049751 k( 29) = ( 0.0000000 0.0622407 -0.0169949), wk = 0.0049751 k( 30) = ( 0.0000000 0.0829876 -0.0226599), wk = 0.0049751 k( 31) = ( 0.0000000 0.1037346 -0.0283249), wk = 0.0049751 k( 32) = ( 0.0000000 0.1244815 -0.0339898), wk = 0.0049751 k( 33) = ( 0.0000000 0.1452284 -0.0396548), wk = 0.0049751 k( 34) = ( 0.0000000 0.1659753 -0.0453198), wk = 0.0049751 k( 35) = ( 0.0000000 0.1867222 -0.0509847), wk = 0.0049751 k( 36) = ( 0.0000000 0.2074691 -0.0566497), wk = 0.0049751 k( 37) = ( 0.0000000 0.2282160 -0.0623147), wk = 0.0049751 k( 38) = ( 0.0000000 0.2489629 -0.0679797), wk = 0.0049751 k( 39) = ( 0.0000000 0.2697098 -0.0736446), wk = 0.0049751 k( 40) = ( 0.0000000 0.2904568 -0.0793096), wk = 0.0049751 k( 41) = ( 0.0000000 0.3112037 -0.0849746), wk = 0.0049751 k( 42) = ( 0.0000000 0.3319506 -0.0906396), wk = 0.0049751 k( 43) = ( 0.0000000 0.3526975 -0.0963045), wk = 0.0049751 k( 44) = ( 0.0000000 0.3734444 -0.1019695), wk = 0.0049751 k( 45) = ( 0.0000000 0.3941913 -0.1076345), wk = 0.0049751 k( 46) = ( 0.0000000 0.4149382 -0.1132994), wk = 0.0049751 k( 47) = ( 0.0000000 0.4356851 -0.1189644), wk = 0.0049751 k( 48) = ( 0.0000000 0.4564320 -0.1246294), wk = 0.0049751 k( 49) = ( 0.0000000 0.4771790 -0.1302944), wk = 0.0049751 k( 50) = ( 0.0000000 0.4979259 -0.1359593), wk = 0.0049751 k( 51) = ( 0.5000000 0.4518943 -0.2554081), wk = 0.0049751 k( 52) = ( 0.4852941 0.4386033 -0.2478961), wk = 0.0049751 k( 53) = ( 0.4705882 0.4253123 -0.2403841), wk = 0.0049751 k( 54) = ( 0.4558823 0.4120213 -0.2328721), wk = 0.0049751 k( 55) = ( 0.4411765 0.3987303 -0.2253601), wk = 0.0049751 k( 56) = ( 0.4264706 0.3854393 -0.2178481), wk = 0.0049751 k( 57) = ( 0.4117647 0.3721483 -0.2103361), wk = 0.0049751 k( 58) = ( 0.3970588 0.3588572 -0.2028241), wk = 0.0049751 k( 59) = ( 0.3823529 0.3455662 -0.1953121), wk = 0.0049751 k( 60) = ( 0.3676471 0.3322752 -0.1878001), wk = 0.0049751 k( 61) = ( 0.3529412 0.3189842 -0.1802881), wk = 0.0049751 k( 62) = ( 0.3382353 0.3056932 -0.1727761), wk = 0.0049751 k( 63) = ( 0.3235294 0.2924022 -0.1652641), wk = 0.0049751 k( 64) = ( 0.3088235 0.2791112 -0.1577521), wk = 0.0049751 k( 65) = ( 0.2941177 0.2658202 -0.1502401), wk = 0.0049751 k( 66) = ( 0.2794118 0.2525292 -0.1427281), wk = 0.0049751 k( 67) = ( 0.2647059 0.2392382 -0.1352161), wk = 0.0049751 k( 68) = ( 0.2500000 0.2259472 -0.1277041), wk = 0.0049751 k( 69) = ( 0.2352941 0.2126561 -0.1201921), wk = 0.0049751 k( 70) = ( 0.2205882 0.1993651 -0.1126801), wk = 0.0049751 k( 71) = ( 0.2058823 0.1860741 -0.1051680), wk = 0.0049751 k( 72) = ( 0.1911765 0.1727831 -0.0976560), wk = 0.0049751 k( 73) = ( 0.1764706 0.1594921 -0.0901440), wk = 0.0049751 k( 74) = ( 0.1617647 0.1462011 -0.0826320), wk = 0.0049751 k( 75) = ( 0.1470588 0.1329101 -0.0751200), wk = 0.0049751 k( 76) = ( 0.1323529 0.1196191 -0.0676080), wk = 0.0049751 k( 77) = ( 0.1176471 0.1063281 -0.0600960), wk = 0.0049751 k( 78) = ( 0.1029412 0.0930371 -0.0525840), wk = 0.0049751 k( 79) = ( 0.0882353 0.0797461 -0.0450720), wk = 0.0049751 k( 80) = ( 0.0735294 0.0664550 -0.0375600), wk = 0.0049751 k( 81) = ( 0.0588235 0.0531640 -0.0300480), wk = 0.0049751 k( 82) = ( 0.0441177 0.0398730 -0.0225360), wk = 0.0049751 k( 83) = ( 0.0294118 0.0265820 -0.0150240), wk = 0.0049751 k( 84) = ( 0.0147059 0.0132910 -0.0075120), wk = 0.0049751 k( 85) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 86) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 87) = ( 0.0000000 0.0000000 0.0209054), wk = 0.0049751 k( 88) = ( 0.0000000 0.0000000 0.0418109), wk = 0.0049751 k( 89) = ( 0.0000000 0.0000000 0.0627163), wk = 0.0049751 k( 90) = ( 0.0000000 0.0000000 0.0836217), wk = 0.0049751 k( 91) = ( 0.0000000 0.0000000 0.1045271), wk = 0.0049751 k( 92) = ( 0.0000000 0.0000000 0.1254326), wk = 0.0049751 k( 93) = ( 0.0000000 0.0000000 0.1463380), wk = 0.0049751 k( 94) = ( 0.0000000 0.0000000 0.1672434), wk = 0.0049751 k( 95) = ( 0.0000000 0.0000000 0.1881489), wk = 0.0049751 k( 96) = ( 0.0000000 0.0000000 0.2090543), wk = 0.0049751 k( 97) = ( 0.0000000 0.0000000 0.2299597), wk = 0.0049751 k( 98) = ( 0.0000000 0.0000000 0.2508652), wk = 0.0049751 k( 99) = ( 0.0000000 0.0000000 0.2717706), wk = 0.0049751 k( 100) = ( 0.0000000 0.0000000 0.2926760), wk = 0.0049751 k( 101) = ( 0.0000000 0.0000000 0.3135814), wk = 0.0049751 k( 102) = ( 0.0000000 0.0000000 0.3344869), wk = 0.0049751 k( 103) = ( 0.0000000 0.0000000 0.3553923), wk = 0.0049751 k( 104) = ( 0.0000000 0.0000000 0.3762977), wk = 0.0049751 k( 105) = ( 0.0000000 0.0000000 0.3972032), wk = 0.0049751 k( 106) = ( 0.0000000 0.0000000 0.4181086), wk = 0.0049751 k( 107) = ( 0.0000000 0.0000000 0.4390140), wk = 0.0049751 k( 108) = ( 0.0000000 0.0000000 0.4599195), wk = 0.0049751 k( 109) = ( 0.5000000 -0.0460316 0.3404707), wk = 0.0049751 k( 110) = ( 0.4827586 -0.0444443 0.3287303), wk = 0.0049751 k( 111) = ( 0.4655172 -0.0428570 0.3169899), wk = 0.0049751 k( 112) = ( 0.4482759 -0.0412697 0.3052496), wk = 0.0049751 k( 113) = ( 0.4310345 -0.0396824 0.2935092), wk = 0.0049751 k( 114) = ( 0.4137931 -0.0380951 0.2817688), wk = 0.0049751 k( 115) = ( 0.3965517 -0.0365078 0.2700285), wk = 0.0049751 k( 116) = ( 0.3793103 -0.0349205 0.2582881), wk = 0.0049751 k( 117) = ( 0.3620690 -0.0333332 0.2465477), wk = 0.0049751 k( 118) = ( 0.3448276 -0.0317459 0.2348074), wk = 0.0049751 k( 119) = ( 0.3275862 -0.0301586 0.2230670), wk = 0.0049751 k( 120) = ( 0.3103448 -0.0285713 0.2113266), wk = 0.0049751 k( 121) = ( 0.2931034 -0.0269840 0.1995863), wk = 0.0049751 k( 122) = ( 0.2758621 -0.0253967 0.1878459), wk = 0.0049751 k( 123) = ( 0.2586207 -0.0238094 0.1761055), wk = 0.0049751 k( 124) = ( 0.2413793 -0.0222221 0.1643652), wk = 0.0049751 k( 125) = ( 0.2241379 -0.0206348 0.1526248), wk = 0.0049751 k( 126) = ( 0.2068966 -0.0190475 0.1408844), wk = 0.0049751 k( 127) = ( 0.1896552 -0.0174602 0.1291440), wk = 0.0049751 k( 128) = ( 0.1724138 -0.0158729 0.1174037), wk = 0.0049751 k( 129) = ( 0.1551724 -0.0142857 0.1056633), wk = 0.0049751 k( 130) = ( 0.1379310 -0.0126984 0.0939229), wk = 0.0049751 k( 131) = ( 0.1206897 -0.0111111 0.0821826), wk = 0.0049751 k( 132) = ( 0.1034483 -0.0095238 0.0704422), wk = 0.0049751 k( 133) = ( 0.0862069 -0.0079365 0.0587018), wk = 0.0049751 k( 134) = ( 0.0689655 -0.0063492 0.0469615), wk = 0.0049751 k( 135) = ( 0.0517241 -0.0047619 0.0352211), wk = 0.0049751 k( 136) = ( 0.0344828 -0.0031746 0.0234807), wk = 0.0049751 k( 137) = ( 0.0172414 -0.0015873 0.0117404), wk = 0.0049751 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 140) = ( 0.0000000 0.0177831 0.0115700), wk = 0.0049751 k( 141) = ( 0.0000000 0.0355661 0.0231400), wk = 0.0049751 k( 142) = ( 0.0000000 0.0533492 0.0347100), wk = 0.0049751 k( 143) = ( 0.0000000 0.0711323 0.0462800), wk = 0.0049751 k( 144) = ( 0.0000000 0.0889153 0.0578500), wk = 0.0049751 k( 145) = ( 0.0000000 0.1066984 0.0694200), wk = 0.0049751 k( 146) = ( 0.0000000 0.1244815 0.0809900), wk = 0.0049751 k( 147) = ( 0.0000000 0.1422645 0.0925600), wk = 0.0049751 k( 148) = ( 0.0000000 0.1600476 0.1041300), wk = 0.0049751 k( 149) = ( 0.0000000 0.1778307 0.1157000), wk = 0.0049751 k( 150) = ( 0.0000000 0.1956137 0.1272700), wk = 0.0049751 k( 151) = ( 0.0000000 0.2133968 0.1388400), wk = 0.0049751 k( 152) = ( 0.0000000 0.2311799 0.1504101), wk = 0.0049751 k( 153) = ( 0.0000000 0.2489629 0.1619801), wk = 0.0049751 k( 154) = ( 0.0000000 0.2667460 0.1735501), wk = 0.0049751 k( 155) = ( 0.0000000 0.2845291 0.1851201), wk = 0.0049751 k( 156) = ( 0.0000000 0.3023121 0.1966901), wk = 0.0049751 k( 157) = ( 0.0000000 0.3200952 0.2082601), wk = 0.0049751 k( 158) = ( 0.0000000 0.3378783 0.2198301), wk = 0.0049751 k( 159) = ( 0.0000000 0.3556613 0.2314001), wk = 0.0049751 k( 160) = ( 0.0000000 0.3734444 0.2429701), wk = 0.0049751 k( 161) = ( 0.0000000 0.3912275 0.2545401), wk = 0.0049751 k( 162) = ( 0.0000000 0.4090105 0.2661101), wk = 0.0049751 k( 163) = ( 0.0000000 0.4267936 0.2776801), wk = 0.0049751 k( 164) = ( 0.0000000 0.4445767 0.2892501), wk = 0.0049751 k( 165) = ( 0.0000000 0.4623597 0.3008201), wk = 0.0049751 k( 166) = ( 0.0000000 0.4801428 0.3123901), wk = 0.0049751 k( 167) = ( 0.0000000 0.4979259 0.3239601), wk = 0.0049751 k( 168) = ( 0.5000000 0.4518943 0.2045113), wk = 0.0049751 k( 169) = ( 0.4848485 0.4382005 0.1983140), wk = 0.0049751 k( 170) = ( 0.4696970 0.4245068 0.1921167), wk = 0.0049751 k( 171) = ( 0.4545455 0.4108130 0.1859194), wk = 0.0049751 k( 172) = ( 0.4393939 0.3971192 0.1797221), wk = 0.0049751 k( 173) = ( 0.4242424 0.3834255 0.1735248), wk = 0.0049751 k( 174) = ( 0.4090909 0.3697317 0.1673275), wk = 0.0049751 k( 175) = ( 0.3939394 0.3560379 0.1611301), wk = 0.0049751 k( 176) = ( 0.3787879 0.3423442 0.1549328), wk = 0.0049751 k( 177) = ( 0.3636364 0.3286504 0.1487355), wk = 0.0049751 k( 178) = ( 0.3484849 0.3149566 0.1425382), wk = 0.0049751 k( 179) = ( 0.3333333 0.3012629 0.1363409), wk = 0.0049751 k( 180) = ( 0.3181818 0.2875691 0.1301436), wk = 0.0049751 k( 181) = ( 0.3030303 0.2738753 0.1239463), wk = 0.0049751 k( 182) = ( 0.2878788 0.2601816 0.1177490), wk = 0.0049751 k( 183) = ( 0.2727273 0.2464878 0.1115516), wk = 0.0049751 k( 184) = ( 0.2575758 0.2327940 0.1053543), wk = 0.0049751 k( 185) = ( 0.2424242 0.2191003 0.0991570), wk = 0.0049751 k( 186) = ( 0.2272727 0.2054065 0.0929597), wk = 0.0049751 k( 187) = ( 0.2121212 0.1917127 0.0867624), wk = 0.0049751 k( 188) = ( 0.1969697 0.1780190 0.0805651), wk = 0.0049751 k( 189) = ( 0.1818182 0.1643252 0.0743678), wk = 0.0049751 k( 190) = ( 0.1666667 0.1506314 0.0681704), wk = 0.0049751 k( 191) = ( 0.1515151 0.1369377 0.0619731), wk = 0.0049751 k( 192) = ( 0.1363636 0.1232439 0.0557758), wk = 0.0049751 k( 193) = ( 0.1212121 0.1095501 0.0495785), wk = 0.0049751 k( 194) = ( 0.1060606 0.0958564 0.0433812), wk = 0.0049751 k( 195) = ( 0.0909091 0.0821626 0.0371839), wk = 0.0049751 k( 196) = ( 0.0757576 0.0684688 0.0309866), wk = 0.0049751 k( 197) = ( 0.0606061 0.0547751 0.0247893), wk = 0.0049751 k( 198) = ( 0.0454546 0.0410813 0.0185919), wk = 0.0049751 k( 199) = ( 0.0303030 0.0273875 0.0123946), wk = 0.0049751 k( 200) = ( 0.0151515 0.0136938 0.0061973), wk = 0.0049751 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 cryst. coord. k( 1) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0049751 k( 2) = ( 0.4791667 0.0000000 0.0000000), wk = 0.0049751 k( 3) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0049751 k( 4) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0049751 k( 5) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0049751 k( 6) = ( 0.3958333 0.0000000 0.0000000), wk = 0.0049751 k( 7) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0049751 k( 8) = ( 0.3541667 0.0000000 0.0000000), wk = 0.0049751 k( 9) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0049751 k( 10) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0049751 k( 11) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0049751 k( 12) = ( 0.2708333 0.0000000 0.0000000), wk = 0.0049751 k( 13) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0049751 k( 14) = ( 0.2291667 0.0000000 0.0000000), wk = 0.0049751 k( 15) = ( 0.2083333 0.0000000 0.0000000), wk = 0.0049751 k( 16) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0049751 k( 17) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0049751 k( 18) = ( 0.1458333 0.0000000 0.0000000), wk = 0.0049751 k( 19) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0049751 k( 20) = ( 0.1041667 0.0000000 0.0000000), wk = 0.0049751 k( 21) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0049751 k( 22) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0049751 k( 23) = ( 0.0416667 0.0000000 0.0000000), wk = 0.0049751 k( 24) = ( 0.0208333 0.0000000 0.0000000), wk = 0.0049751 k( 25) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 26) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 27) = ( 0.0000000 0.0208333 -0.0000000), wk = 0.0049751 k( 28) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0049751 k( 29) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0049751 k( 30) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0049751 k( 31) = ( 0.0000000 0.1041667 0.0000000), wk = 0.0049751 k( 32) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0049751 k( 33) = ( 0.0000000 0.1458333 0.0000000), wk = 0.0049751 k( 34) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0049751 k( 35) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0049751 k( 36) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0049751 k( 37) = ( 0.0000000 0.2291667 0.0000000), wk = 0.0049751 k( 38) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0049751 k( 39) = ( 0.0000000 0.2708333 0.0000000), wk = 0.0049751 k( 40) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0049751 k( 41) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0049751 k( 42) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0049751 k( 43) = ( 0.0000000 0.3541667 -0.0000000), wk = 0.0049751 k( 44) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0049751 k( 45) = ( 0.0000000 0.3958333 0.0000000), wk = 0.0049751 k( 46) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0049751 k( 47) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0049751 k( 48) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0049751 k( 49) = ( 0.0000000 0.4791667 0.0000000), wk = 0.0049751 k( 50) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0049751 k( 51) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0049751 k( 52) = ( 0.4852941 0.4852941 0.0000000), wk = 0.0049751 k( 53) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0049751 k( 54) = ( 0.4558823 0.4558824 0.0000000), wk = 0.0049751 k( 55) = ( 0.4411765 0.4411765 0.0000000), wk = 0.0049751 k( 56) = ( 0.4264706 0.4264706 0.0000000), wk = 0.0049751 k( 57) = ( 0.4117647 0.4117647 0.0000000), wk = 0.0049751 k( 58) = ( 0.3970588 0.3970588 0.0000000), wk = 0.0049751 k( 59) = ( 0.3823529 0.3823529 0.0000000), wk = 0.0049751 k( 60) = ( 0.3676471 0.3676471 0.0000000), wk = 0.0049751 k( 61) = ( 0.3529412 0.3529412 0.0000000), wk = 0.0049751 k( 62) = ( 0.3382353 0.3382353 -0.0000000), wk = 0.0049751 k( 63) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0049751 k( 64) = ( 0.3088235 0.3088235 0.0000000), wk = 0.0049751 k( 65) = ( 0.2941177 0.2941177 -0.0000000), wk = 0.0049751 k( 66) = ( 0.2794118 0.2794118 0.0000000), wk = 0.0049751 k( 67) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0049751 k( 68) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0049751 k( 69) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0049751 k( 70) = ( 0.2205882 0.2205882 0.0000000), wk = 0.0049751 k( 71) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0049751 k( 72) = ( 0.1911765 0.1911765 0.0000000), wk = 0.0049751 k( 73) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0049751 k( 74) = ( 0.1617647 0.1617647 0.0000000), wk = 0.0049751 k( 75) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0049751 k( 76) = ( 0.1323529 0.1323529 0.0000000), wk = 0.0049751 k( 77) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0049751 k( 78) = ( 0.1029412 0.1029412 0.0000000), wk = 0.0049751 k( 79) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0049751 k( 80) = ( 0.0735294 0.0735294 -0.0000000), wk = 0.0049751 k( 81) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0049751 k( 82) = ( 0.0441177 0.0441177 0.0000000), wk = 0.0049751 k( 83) = ( 0.0294118 0.0294118 0.0000000), wk = 0.0049751 k( 84) = ( 0.0147059 0.0147059 0.0000000), wk = 0.0049751 k( 85) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 86) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 87) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0049751 k( 88) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0049751 k( 89) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0049751 k( 90) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0049751 k( 91) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0049751 k( 92) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0049751 k( 93) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0049751 k( 94) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0049751 k( 95) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0049751 k( 96) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0049751 k( 97) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0049751 k( 98) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0049751 k( 99) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0049751 k( 100) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0049751 k( 101) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0049751 k( 102) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0049751 k( 103) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0049751 k( 104) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0049751 k( 105) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0049751 k( 106) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0049751 k( 107) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0049751 k( 108) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0049751 k( 109) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0049751 k( 110) = ( 0.4827586 0.0000000 0.4827586), wk = 0.0049751 k( 111) = ( 0.4655172 0.0000000 0.4655172), wk = 0.0049751 k( 112) = ( 0.4482759 0.0000000 0.4482759), wk = 0.0049751 k( 113) = ( 0.4310345 0.0000000 0.4310345), wk = 0.0049751 k( 114) = ( 0.4137931 0.0000000 0.4137931), wk = 0.0049751 k( 115) = ( 0.3965517 0.0000000 0.3965517), wk = 0.0049751 k( 116) = ( 0.3793103 0.0000000 0.3793103), wk = 0.0049751 k( 117) = ( 0.3620690 0.0000000 0.3620690), wk = 0.0049751 k( 118) = ( 0.3448276 -0.0000000 0.3448276), wk = 0.0049751 k( 119) = ( 0.3275862 0.0000000 0.3275862), wk = 0.0049751 k( 120) = ( 0.3103448 0.0000000 0.3103448), wk = 0.0049751 k( 121) = ( 0.2931034 0.0000000 0.2931034), wk = 0.0049751 k( 122) = ( 0.2758621 0.0000000 0.2758621), wk = 0.0049751 k( 123) = ( 0.2586207 0.0000000 0.2586207), wk = 0.0049751 k( 124) = ( 0.2413793 0.0000000 0.2413793), wk = 0.0049751 k( 125) = ( 0.2241379 0.0000000 0.2241379), wk = 0.0049751 k( 126) = ( 0.2068966 0.0000000 0.2068965), wk = 0.0049751 k( 127) = ( 0.1896552 0.0000000 0.1896552), wk = 0.0049751 k( 128) = ( 0.1724138 0.0000000 0.1724138), wk = 0.0049751 k( 129) = ( 0.1551724 0.0000000 0.1551724), wk = 0.0049751 k( 130) = ( 0.1379310 0.0000000 0.1379310), wk = 0.0049751 k( 131) = ( 0.1206897 0.0000000 0.1206897), wk = 0.0049751 k( 132) = ( 0.1034483 0.0000000 0.1034483), wk = 0.0049751 k( 133) = ( 0.0862069 0.0000000 0.0862069), wk = 0.0049751 k( 134) = ( 0.0689655 0.0000000 0.0689655), wk = 0.0049751 k( 135) = ( 0.0517241 0.0000000 0.0517241), wk = 0.0049751 k( 136) = ( 0.0344828 0.0000000 0.0344828), wk = 0.0049751 k( 137) = ( 0.0172414 0.0000000 0.0172414), wk = 0.0049751 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 k( 140) = ( 0.0000000 0.0178571 0.0178571), wk = 0.0049751 k( 141) = ( 0.0000000 0.0357143 0.0357143), wk = 0.0049751 k( 142) = ( 0.0000000 0.0535714 0.0535714), wk = 0.0049751 k( 143) = ( 0.0000000 0.0714286 0.0714286), wk = 0.0049751 k( 144) = ( 0.0000000 0.0892857 0.0892857), wk = 0.0049751 k( 145) = ( 0.0000000 0.1071429 0.1071429), wk = 0.0049751 k( 146) = ( 0.0000000 0.1250000 0.1250000), wk = 0.0049751 k( 147) = ( 0.0000000 0.1428571 0.1428571), wk = 0.0049751 k( 148) = ( 0.0000000 0.1607143 0.1607143), wk = 0.0049751 k( 149) = ( 0.0000000 0.1785714 0.1785714), wk = 0.0049751 k( 150) = ( 0.0000000 0.1964286 0.1964286), wk = 0.0049751 k( 151) = ( 0.0000000 0.2142857 0.2142857), wk = 0.0049751 k( 152) = ( 0.0000000 0.2321429 0.2321429), wk = 0.0049751 k( 153) = ( 0.0000000 0.2500000 0.2500000), wk = 0.0049751 k( 154) = ( 0.0000000 0.2678571 0.2678571), wk = 0.0049751 k( 155) = ( 0.0000000 0.2857143 0.2857143), wk = 0.0049751 k( 156) = ( 0.0000000 0.3035714 0.3035714), wk = 0.0049751 k( 157) = ( 0.0000000 0.3214286 0.3214286), wk = 0.0049751 k( 158) = ( 0.0000000 0.3392857 0.3392857), wk = 0.0049751 k( 159) = ( 0.0000000 0.3571429 0.3571429), wk = 0.0049751 k( 160) = ( 0.0000000 0.3750000 0.3750000), wk = 0.0049751 k( 161) = ( 0.0000000 0.3928571 0.3928571), wk = 0.0049751 k( 162) = ( 0.0000000 0.4107143 0.4107143), wk = 0.0049751 k( 163) = ( 0.0000000 0.4285714 0.4285714), wk = 0.0049751 k( 164) = ( 0.0000000 0.4464286 0.4464286), wk = 0.0049751 k( 165) = ( 0.0000000 0.4642857 0.4642857), wk = 0.0049751 k( 166) = ( 0.0000000 0.4821429 0.4821429), wk = 0.0049751 k( 167) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0049751 k( 168) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0049751 k( 169) = ( 0.4848485 0.4848485 0.4848485), wk = 0.0049751 k( 170) = ( 0.4696970 0.4696970 0.4696970), wk = 0.0049751 k( 171) = ( 0.4545455 0.4545455 0.4545454), wk = 0.0049751 k( 172) = ( 0.4393939 0.4393939 0.4393939), wk = 0.0049751 k( 173) = ( 0.4242424 0.4242424 0.4242424), wk = 0.0049751 k( 174) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0049751 k( 175) = ( 0.3939394 0.3939394 0.3939394), wk = 0.0049751 k( 176) = ( 0.3787879 0.3787879 0.3787879), wk = 0.0049751 k( 177) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0049751 k( 178) = ( 0.3484849 0.3484849 0.3484849), wk = 0.0049751 k( 179) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0049751 k( 180) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0049751 k( 181) = ( 0.3030303 0.3030303 0.3030303), wk = 0.0049751 k( 182) = ( 0.2878788 0.2878788 0.2878788), wk = 0.0049751 k( 183) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0049751 k( 184) = ( 0.2575758 0.2575758 0.2575758), wk = 0.0049751 k( 185) = ( 0.2424242 0.2424242 0.2424242), wk = 0.0049751 k( 186) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0049751 k( 187) = ( 0.2121212 0.2121212 0.2121212), wk = 0.0049751 k( 188) = ( 0.1969697 0.1969697 0.1969697), wk = 0.0049751 k( 189) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0049751 k( 190) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0049751 k( 191) = ( 0.1515151 0.1515151 0.1515151), wk = 0.0049751 k( 192) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0049751 k( 193) = ( 0.1212121 0.1212121 0.1212121), wk = 0.0049751 k( 194) = ( 0.1060606 0.1060606 0.1060606), wk = 0.0049751 k( 195) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0049751 k( 196) = ( 0.0757576 0.0757576 0.0757576), wk = 0.0049751 k( 197) = ( 0.0606061 0.0606061 0.0606061), wk = 0.0049751 k( 198) = ( 0.0454546 0.0454546 0.0454545), wk = 0.0049751 k( 199) = ( 0.0303030 0.0303030 0.0303030), wk = 0.0049751 k( 200) = ( 0.0151515 0.0151515 0.0151515), wk = 0.0049751 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0049751 Dense grid: 167927 G-vectors FFT dimensions: ( 72, 72, 80) Smooth grid: 102943 G-vectors FFT dimensions: ( 60, 60, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.53 Mb ( 368, 94) NL pseudopotentials 1.05 Mb ( 184, 374) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2332) G-vector shells 0.02 Mb ( 2296) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.11 Mb ( 368, 376) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 1.07 Mb ( 374, 2, 94) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./HfxTe2Cl3x2.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.9 secs Computing kpt #: 2 total cpu time spent up to now is 6.6 secs Computing kpt #: 3 total cpu time spent up to now is 8.3 secs Computing kpt #: 4 total cpu time spent up to now is 10.0 secs Computing kpt #: 5 total cpu time spent up to now is 11.6 secs Computing kpt #: 6 total cpu time spent up to now is 13.3 secs Computing kpt #: 7 total cpu time spent up to now is 14.9 secs Computing kpt #: 8 total cpu time spent up to now is 16.5 secs Computing kpt #: 9 total cpu time spent up to now is 18.2 secs Computing kpt #: 10 total cpu time spent up to now is 19.8 secs Computing kpt #: 11 total cpu time spent up to now is 21.5 secs Computing kpt #: 12 total cpu time spent up to now is 23.2 secs Computing kpt #: 13 total cpu time spent up to now is 24.8 secs Computing kpt #: 14 total cpu time spent up to now is 26.4 secs Computing kpt #: 15 total cpu time spent up to now is 28.1 secs Computing kpt #: 16 total cpu time spent up to now is 29.7 secs Computing kpt #: 17 total cpu time spent up to now is 31.4 secs Computing kpt #: 18 total cpu time spent up to now is 33.1 secs Computing kpt #: 19 total cpu time spent up to now is 34.8 secs Computing kpt #: 20 total cpu time spent up to now is 36.4 secs Computing kpt #: 21 total cpu time spent up to now is 38.1 secs Computing kpt #: 22 total cpu time spent up to now is 39.8 secs Computing kpt #: 23 total cpu time spent up to now is 41.5 secs Computing kpt #: 24 total cpu time spent up to now is 43.2 secs Computing kpt #: 25 total cpu time spent up to now is 44.9 secs Computing kpt #: 26 total cpu time spent up to now is 46.6 secs Computing kpt #: 27 total cpu time spent up to now is 48.3 secs Computing kpt #: 28 total cpu time spent up to now is 51.0 secs Computing kpt #: 29 total cpu time spent up to now is 52.6 secs Computing kpt #: 30 total cpu time spent up to now is 54.3 secs Computing kpt #: 31 total cpu time spent up to now is 56.0 secs Computing kpt #: 32 total cpu time spent up to now is 57.7 secs Computing kpt #: 33 total cpu time spent up to now is 59.3 secs Computing kpt #: 34 total cpu time spent up to now is 61.0 secs Computing kpt #: 35 total cpu time spent up to now is 62.8 secs Computing kpt #: 36 total cpu time spent up to now is 64.5 secs Computing kpt #: 37 total cpu time spent up to now is 66.2 secs Computing kpt #: 38 total cpu time spent up to now is 67.8 secs Computing kpt #: 39 total cpu time spent up to now is 69.5 secs Computing kpt #: 40 total cpu time spent up to now is 71.2 secs Computing kpt #: 41 total cpu time spent up to now is 72.8 secs Computing kpt #: 42 total cpu time spent up to now is 74.6 secs Computing kpt #: 43 total cpu time spent up to now is 76.2 secs Computing kpt #: 44 total cpu time spent up to now is 77.9 secs Computing kpt #: 45 total cpu time spent up to now is 79.5 secs Computing kpt #: 46 total cpu time spent up to now is 81.2 secs Computing kpt #: 47 total cpu time spent up to now is 82.8 secs Computing kpt #: 48 total cpu time spent up to now is 84.5 secs Computing kpt #: 49 total cpu time spent up to now is 86.1 secs Computing kpt #: 50 total cpu time spent up to now is 87.8 secs Computing kpt #: 51 total cpu time spent up to now is 89.4 secs Computing kpt #: 52 total cpu time spent up to now is 91.1 secs Computing kpt #: 53 total cpu time spent up to now is 92.8 secs Computing kpt #: 54 total cpu time spent up to now is 94.5 secs Computing kpt #: 55 total cpu time spent up to now is 96.2 secs Computing kpt #: 56 total cpu time spent up to now is 97.8 secs Computing kpt #: 57 total cpu time spent up to now is 99.6 secs Computing kpt #: 58 total cpu time spent up to now is 101.2 secs Computing kpt #: 59 total cpu time spent up to now is 102.9 secs Computing kpt #: 60 total cpu time spent up to now is 104.5 secs Computing kpt #: 61 total cpu time spent up to now is 106.2 secs Computing kpt #: 62 total cpu time spent up to now is 107.9 secs Computing kpt #: 63 total cpu time spent up to now is 109.5 secs Computing kpt #: 64 total cpu time spent up to now is 111.2 secs Computing kpt #: 65 total cpu time spent up to now is 112.8 secs Computing kpt #: 66 total cpu time spent up to now is 114.4 secs Computing kpt #: 67 total cpu time spent up to now is 116.1 secs Computing kpt #: 68 total cpu time spent up to now is 117.7 secs Computing kpt #: 69 total cpu time spent up to now is 119.4 secs Computing kpt #: 70 total cpu time spent up to now is 121.1 secs Computing kpt #: 71 total cpu time spent up to now is 122.7 secs Computing kpt #: 72 total cpu time spent up to now is 124.3 secs Computing kpt #: 73 total cpu time spent up to now is 126.0 secs Computing kpt #: 74 total cpu time spent up to now is 127.6 secs Computing kpt #: 75 total cpu time spent up to now is 129.3 secs Computing kpt #: 76 total cpu time spent up to now is 131.0 secs Computing kpt #: 77 total cpu time spent up to now is 132.6 secs Computing kpt #: 78 total cpu time spent up to now is 134.3 secs Computing kpt #: 79 total cpu time spent up to now is 136.0 secs Computing kpt #: 80 total cpu time spent up to now is 137.7 secs Computing kpt #: 81 total cpu time spent up to now is 139.4 secs Computing kpt #: 82 total cpu time spent up to now is 141.1 secs Computing kpt #: 83 total cpu time spent up to now is 142.8 secs Computing kpt #: 84 total cpu time spent up to now is 144.5 secs Computing kpt #: 85 total cpu time spent up to now is 146.2 secs Computing kpt #: 86 total cpu time spent up to now is 147.9 secs Computing kpt #: 87 total cpu time spent up to now is 149.6 secs Computing kpt #: 88 total cpu time spent up to now is 151.3 secs Computing kpt #: 89 total cpu time spent up to now is 153.0 secs Computing kpt #: 90 total cpu time spent up to now is 154.7 secs Computing kpt #: 91 total cpu time spent up to now is 156.4 secs Computing kpt #: 92 total cpu time spent up to now is 158.1 secs Computing kpt #: 93 total cpu time spent up to now is 159.7 secs Computing kpt #: 94 total cpu time spent up to now is 161.4 secs Computing kpt #: 95 total cpu time spent up to now is 163.1 secs Computing kpt #: 96 total cpu time spent up to now is 164.8 secs Computing kpt #: 97 total cpu time spent up to now is 166.4 secs Computing kpt #: 98 total cpu time spent up to now is 168.1 secs Computing kpt #: 99 total cpu time spent up to now is 169.8 secs Computing kpt #: 100 total cpu time spent up to now is 171.5 secs Computing kpt #: 101 total cpu time spent up to now is 173.2 secs Computing kpt #: 102 total cpu time spent up to now is 174.9 secs Computing kpt #: 103 total cpu time spent up to now is 176.5 secs Computing kpt #: 104 total cpu time spent up to now is 178.2 secs Computing kpt #: 105 total cpu time spent up to now is 179.9 secs Computing kpt #: 106 total cpu time spent up to now is 181.6 secs Computing kpt #: 107 total cpu time spent up to now is 183.3 secs Computing kpt #: 108 total cpu time spent up to now is 184.9 secs Computing kpt #: 109 total cpu time spent up to now is 186.6 secs Computing kpt #: 110 total cpu time spent up to now is 188.3 secs Computing kpt #: 111 total cpu time spent up to now is 190.1 secs Computing kpt #: 112 total cpu time spent up to now is 191.8 secs Computing kpt #: 113 total cpu time spent up to now is 193.5 secs Computing kpt #: 114 total cpu time spent up to now is 195.1 secs Computing kpt #: 115 total cpu time spent up to now is 196.8 secs Computing kpt #: 116 total cpu time spent up to now is 198.5 secs Computing kpt #: 117 total cpu time spent up to now is 200.2 secs Computing kpt #: 118 total cpu time spent up to now is 201.9 secs Computing kpt #: 119 total cpu time spent up to now is 203.6 secs Computing kpt #: 120 total cpu time spent up to now is 205.3 secs Computing kpt #: 121 total cpu time spent up to now is 207.0 secs Computing kpt #: 122 total cpu time spent up to now is 208.7 secs Computing kpt #: 123 total cpu time spent up to now is 210.4 secs Computing kpt #: 124 total cpu time spent up to now is 212.1 secs Computing kpt #: 125 total cpu time spent up to now is 213.8 secs Computing kpt #: 126 total cpu time spent up to now is 215.5 secs Computing kpt #: 127 total cpu time spent up to now is 217.2 secs Computing kpt #: 128 total cpu time spent up to now is 218.9 secs Computing kpt #: 129 total cpu time spent up to now is 220.6 secs Computing kpt #: 130 total cpu time spent up to now is 222.3 secs Computing kpt #: 131 total cpu time spent up to now is 224.0 secs Computing kpt #: 132 total cpu time spent up to now is 225.7 secs Computing kpt #: 133 total cpu time spent up to now is 227.4 secs Computing kpt #: 134 total cpu time spent up to now is 229.1 secs Computing kpt #: 135 total cpu time spent up to now is 230.8 secs Computing kpt #: 136 total cpu time spent up to now is 232.5 secs Computing kpt #: 137 total cpu time spent up to now is 234.2 secs Computing kpt #: 138 total cpu time spent up to now is 235.9 secs Computing kpt #: 139 total cpu time spent up to now is 237.7 secs Computing kpt #: 140 total cpu time spent up to now is 239.8 secs Computing kpt #: 141 total cpu time spent up to now is 241.6 secs Computing kpt #: 142 total cpu time spent up to now is 243.2 secs Computing kpt #: 143 total cpu time spent up to now is 244.9 secs Computing kpt #: 144 total cpu time spent up to now is 246.6 secs Computing kpt #: 145 total cpu time spent up to now is 248.3 secs Computing kpt #: 146 total cpu time spent up to now is 250.0 secs Computing kpt #: 147 total cpu time spent up to now is 251.7 secs Computing kpt #: 148 total cpu time spent up to now is 253.4 secs Computing kpt #: 149 total cpu time spent up to now is 255.0 secs Computing kpt #: 150 total cpu time spent up to now is 256.7 secs Computing kpt #: 151 total cpu time spent up to now is 258.5 secs Computing kpt #: 152 total cpu time spent up to now is 260.3 secs Computing kpt #: 153 total cpu time spent up to now is 262.0 secs Computing kpt #: 154 total cpu time spent up to now is 263.7 secs Computing kpt #: 155 total cpu time spent up to now is 265.4 secs Computing kpt #: 156 total cpu time spent up to now is 267.1 secs Computing kpt #: 157 total cpu time spent up to now is 268.8 secs Computing kpt #: 158 total cpu time spent up to now is 270.5 secs Computing kpt #: 159 total cpu time spent up to now is 272.1 secs Computing kpt #: 160 total cpu time spent up to now is 273.9 secs Computing kpt #: 161 total cpu time spent up to now is 275.5 secs Computing kpt #: 162 total cpu time spent up to now is 277.2 secs Computing kpt #: 163 total cpu time spent up to now is 278.9 secs Computing kpt #: 164 total cpu time spent up to now is 280.6 secs Computing kpt #: 165 total cpu time spent up to now is 282.4 secs Computing kpt #: 166 total cpu time spent up to now is 284.1 secs Computing kpt #: 167 total cpu time spent up to now is 285.8 secs Computing kpt #: 168 total cpu time spent up to now is 287.5 secs Computing kpt #: 169 total cpu time spent up to now is 289.2 secs Computing kpt #: 170 total cpu time spent up to now is 290.9 secs Computing kpt #: 171 total cpu time spent up to now is 292.6 secs Computing kpt #: 172 total cpu time spent up to now is 294.2 secs Computing kpt #: 173 total cpu time spent up to now is 296.3 secs Computing kpt #: 174 total cpu time spent up to now is 298.1 secs Computing kpt #: 175 total cpu time spent up to now is 299.8 secs Computing kpt #: 176 total cpu time spent up to now is 301.6 secs Computing kpt #: 177 total cpu time spent up to now is 303.2 secs Computing kpt #: 178 total cpu time spent up to now is 304.9 secs Computing kpt #: 179 total cpu time spent up to now is 306.6 secs Computing kpt #: 180 total cpu time spent up to now is 308.3 secs Computing kpt #: 181 total cpu time spent up to now is 310.0 secs Computing kpt #: 182 total cpu time spent up to now is 311.7 secs Computing kpt #: 183 total cpu time spent up to now is 313.3 secs Computing kpt #: 184 total cpu time spent up to now is 315.1 secs Computing kpt #: 185 total cpu time spent up to now is 316.8 secs Computing kpt #: 186 total cpu time spent up to now is 318.6 secs Computing kpt #: 187 total cpu time spent up to now is 320.3 secs Computing kpt #: 188 total cpu time spent up to now is 322.0 secs Computing kpt #: 189 total cpu time spent up to now is 323.8 secs Computing kpt #: 190 total cpu time spent up to now is 325.6 secs Computing kpt #: 191 total cpu time spent up to now is 327.3 secs Computing kpt #: 192 total cpu time spent up to now is 329.1 secs Computing kpt #: 193 total cpu time spent up to now is 330.8 secs Computing kpt #: 194 total cpu time spent up to now is 332.5 secs Computing kpt #: 195 total cpu time spent up to now is 334.2 secs Computing kpt #: 196 total cpu time spent up to now is 335.8 secs Computing kpt #: 197 total cpu time spent up to now is 337.5 secs Computing kpt #: 198 total cpu time spent up to now is 339.2 secs Computing kpt #: 199 total cpu time spent up to now is 340.9 secs Computing kpt #: 200 total cpu time spent up to now is 342.6 secs Computing kpt #: 201 total cpu time spent up to now is 344.3 secs ethr = 1.28E-08, avg # of iterations = 14.7 total cpu time spent up to now is 344.3 secs End of band structure calculation k = 0.5000-0.0460-0.1194 ( 12876 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1376 -11.1376 -10.7467 -10.7467 -10.7268 -10.7268 -10.6221 -10.6221 -10.4107 -10.4107 -10.2963 -10.2963 -9.6992 -9.6992 -7.5901 -7.5901 -7.4922 -7.4922 -5.0435 -5.0435 -1.3958 -1.3958 -0.9858 -0.9858 -0.7839 -0.7839 -0.3353 -0.3353 -0.3161 -0.3161 -0.0827 -0.0827 0.0035 0.0035 0.1170 0.1170 0.3123 0.3123 0.3916 0.3916 0.8882 0.8882 1.0838 1.0838 1.2523 1.2523 1.3199 1.3199 1.4982 1.4982 1.6367 1.6367 1.7313 1.7313 1.8195 1.8195 1.8505 1.8505 1.9645 1.9645 2.1260 2.1260 2.1465 2.1465 2.4274 2.4274 2.7289 2.7289 3.0295 3.0295 4.2167 4.2167 4.9356 4.9356 5.5305 5.5305 6.5337 6.5337 6.6609 6.6609 6.8626 6.8626 6.8684 6.8684 7.1324 7.1324 k = 0.4792-0.0441-0.1145 ( 12879 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1382 -11.1382 -10.7463 -10.7463 -10.7267 -10.7267 -10.6220 -10.6220 -10.4110 -10.4110 -10.2958 -10.2958 -9.6994 -9.6994 -7.5899 -7.5899 -7.4922 -7.4922 -5.0437 -5.0437 -1.3967 -1.3967 -0.9890 -0.9890 -0.7811 -0.7811 -0.3340 -0.3340 -0.3148 -0.3148 -0.0807 -0.0807 0.0022 0.0022 0.1195 0.1195 0.3044 0.3044 0.3971 0.3971 0.8871 0.8871 1.0825 1.0825 1.2488 1.2488 1.3262 1.3262 1.4980 1.4980 1.6358 1.6358 1.7317 1.7317 1.8174 1.8174 1.8523 1.8523 1.9629 1.9629 2.1237 2.1237 2.1484 2.1484 2.4266 2.4266 2.7281 2.7281 3.0287 3.0287 4.2175 4.2175 4.9373 4.9373 5.5319 5.5319 6.5327 6.5327 6.6588 6.6588 6.8538 6.8538 6.8792 6.8792 7.1323 7.1323 k = 0.4583-0.0422-0.1095 ( 12888 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1399 -11.1399 -10.7450 -10.7450 -10.7264 -10.7264 -10.6216 -10.6216 -10.4121 -10.4121 -10.2943 -10.2943 -9.7000 -9.7000 -7.5892 -7.5892 -7.4923 -7.4923 -5.0443 -5.0443 -1.3995 -1.3995 -0.9979 -0.9979 -0.7728 -0.7728 -0.3305 -0.3305 -0.3108 -0.3108 -0.0747 -0.0747 -0.0014 -0.0014 0.1264 0.1264 0.2856 0.2856 0.4087 0.4087 0.8837 0.8837 1.0788 1.0788 1.2414 1.2414 1.3415 1.3415 1.4973 1.4973 1.6334 1.6334 1.7325 1.7325 1.8118 1.8118 1.8571 1.8571 1.9582 1.9582 2.1190 2.1190 2.1521 2.1521 2.4242 2.4242 2.7259 2.7259 3.0264 3.0264 4.2200 4.2200 4.9425 4.9425 5.5358 5.5358 6.5298 6.5298 6.6529 6.6529 6.8448 6.8448 6.8940 6.8940 7.1319 7.1319 k = 0.4375-0.0403-0.1045 ( 12892 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1427 -11.1427 -10.7431 -10.7431 -10.7258 -10.7258 -10.6210 -10.6210 -10.4138 -10.4138 -10.2919 -10.2919 -9.7009 -9.7009 -7.5880 -7.5880 -7.4923 -7.4923 -5.0453 -5.0453 -1.4041 -1.4041 -1.0115 -1.0115 -0.7603 -0.7603 -0.3254 -0.3254 -0.3038 -0.3038 -0.0648 -0.0648 -0.0062 -0.0062 0.1364 0.1364 0.2623 0.2623 0.4206 0.4206 0.8780 0.8780 1.0738 1.0738 1.2339 1.2339 1.3609 1.3609 1.4963 1.4963 1.6303 1.6303 1.7328 1.7328 1.8039 1.8039 1.8640 1.8640 1.9505 1.9505 2.1139 2.1139 2.1554 2.1554 2.4204 2.4204 2.7221 2.7221 3.0227 3.0227 4.2241 4.2241 4.9511 4.9511 5.5423 5.5423 6.5250 6.5250 6.6438 6.6438 6.8379 6.8379 6.9098 6.9098 7.1314 7.1314 k = 0.4167-0.0384-0.0995 ( 12901 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0583 -25.0583 -11.1464 -11.1464 -10.7408 -10.7408 -10.7248 -10.7248 -10.6202 -10.6202 -10.4162 -10.4162 -10.2887 -10.2887 -9.7022 -9.7022 -7.5864 -7.5864 -7.4924 -7.4924 -5.0467 -5.0467 -1.4104 -1.4104 -1.0284 -1.0284 -0.7447 -0.7447 -0.3193 -0.3193 -0.2934 -0.2934 -0.0515 -0.0515 -0.0111 -0.0111 0.1474 0.1474 0.2386 0.2386 0.4297 0.4297 0.8699 0.8699 1.0684 1.0684 1.2275 1.2275 1.3809 1.3809 1.4958 1.4958 1.6273 1.6273 1.7315 1.7315 1.7947 1.7947 1.8725 1.8725 1.9403 1.9403 2.1094 2.1094 2.1572 2.1572 2.4157 2.4157 2.7165 2.7165 3.0178 3.0178 4.2297 4.2297 4.9629 4.9629 5.5513 5.5513 6.5183 6.5183 6.6322 6.6322 6.8328 6.8328 6.9259 6.9259 7.1309 7.1309 k = 0.3958-0.0364-0.0946 ( 12907 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0583 -25.0583 -11.1510 -11.1510 -10.7387 -10.7387 -10.7229 -10.7229 -10.6191 -10.6191 -10.4189 -10.4189 -10.2847 -10.2847 -9.7038 -9.7038 -7.5844 -7.5844 -7.4926 -7.4926 -5.0485 -5.0485 -1.4180 -1.4180 -1.0475 -1.0475 -0.7269 -0.7269 -0.3128 -0.3128 -0.2794 -0.2794 -0.0367 -0.0367 -0.0138 -0.0138 0.1546 0.1546 0.2201 0.2201 0.4349 0.4349 0.8594 0.8594 1.0637 1.0637 1.2224 1.2224 1.3992 1.3992 1.4965 1.4965 1.6247 1.6247 1.7273 1.7273 1.7858 1.7858 1.8812 1.8812 1.9289 1.9289 2.1061 2.1061 2.1569 2.1569 2.4102 2.4102 2.7091 2.7091 3.0121 3.0121 4.2365 4.2365 4.9776 4.9776 5.5628 5.5628 6.5097 6.5097 6.6190 6.6190 6.8292 6.8292 6.9416 6.9416 7.1307 7.1307 k = 0.3750-0.0345-0.0896 ( 12901 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1564 -11.1564 -10.7370 -10.7370 -10.7200 -10.7200 -10.6177 -10.6177 -10.4220 -10.4220 -10.2802 -10.2802 -9.7057 -9.7057 -7.5821 -7.5821 -7.4927 -7.4927 -5.0505 -5.0505 -1.4269 -1.4269 -1.0679 -1.0679 -0.7075 -0.7075 -0.3063 -0.3063 -0.2620 -0.2620 -0.0295 -0.0295 -0.0049 -0.0049 0.1486 0.1486 0.2163 0.2163 0.4358 0.4358 0.8466 0.8466 1.0603 1.0603 1.2181 1.2181 1.4134 1.4134 1.4999 1.4999 1.6224 1.6224 1.7194 1.7194 1.7788 1.7788 1.8855 1.8855 1.9212 1.9212 2.1042 2.1042 2.1540 2.1540 2.4044 2.4044 2.6996 2.6996 3.0058 3.0058 4.2445 4.2445 4.9951 4.9951 5.5765 5.5765 6.4993 6.4993 6.6049 6.6049 6.8267 6.8267 6.9561 6.9561 7.1313 7.1313 k = 0.3542-0.0326-0.0846 ( 12899 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1622 -11.1622 -10.7361 -10.7361 -10.7161 -10.7161 -10.6161 -10.6161 -10.4254 -10.4254 -10.2752 -10.2752 -9.7080 -9.7080 -7.5794 -7.5794 -7.4928 -7.4928 -5.0529 -5.0529 -1.4368 -1.4368 -1.0891 -1.0891 -0.6868 -0.6868 -0.2998 -0.2998 -0.2415 -0.2415 -0.0314 -0.0314 0.0166 0.0166 0.1300 0.1300 0.2272 0.2272 0.4325 0.4325 0.8318 0.8318 1.0578 1.0578 1.2145 1.2145 1.4221 1.4221 1.5066 1.5066 1.6192 1.6192 1.7088 1.7088 1.7745 1.7745 1.8777 1.8777 1.9255 1.9255 2.1035 2.1035 2.1484 2.1484 2.3987 2.3987 2.6881 2.6881 2.9992 2.9992 4.2534 4.2534 5.0149 5.0149 5.5924 5.5924 6.4872 6.4872 6.5907 6.5907 6.8248 6.8248 6.9688 6.9688 7.1331 7.1331 k = 0.3333-0.0307-0.0796 ( 12901 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1686 -11.1686 -10.7356 -10.7356 -10.7114 -10.7114 -10.6142 -10.6142 -10.4289 -10.4289 -10.2698 -10.2698 -9.7105 -9.7105 -7.5764 -7.5764 -7.4930 -7.4930 -5.0555 -5.0555 -1.4475 -1.4475 -1.1104 -1.1104 -0.6653 -0.6653 -0.2935 -0.2935 -0.2183 -0.2183 -0.0348 -0.0348 0.0420 0.0420 0.1083 0.1083 0.2442 0.2442 0.4255 0.4255 0.8155 0.8155 1.0552 1.0552 1.2117 1.2117 1.4258 1.4258 1.5155 1.5155 1.6130 1.6130 1.6989 1.6989 1.7723 1.7723 1.8616 1.8616 1.9383 1.9383 2.1040 2.1040 2.1401 2.1401 2.3931 2.3931 2.6747 2.6747 2.9926 2.9926 4.2630 4.2630 5.0368 5.0368 5.6102 5.6102 6.4736 6.4736 6.5767 6.5767 6.8233 6.8233 6.9791 6.9791 7.1364 7.1364 k = 0.3125-0.0288-0.0747 ( 12900 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1752 -11.1752 -10.7355 -10.7355 -10.7064 -10.7064 -10.6120 -10.6120 -10.4324 -10.4324 -10.2642 -10.2642 -9.7132 -9.7132 -7.5731 -7.5731 -7.4932 -7.4932 -5.0584 -5.0584 -1.4587 -1.4587 -1.1315 -1.1315 -0.6432 -0.6432 -0.2874 -0.2874 -0.1929 -0.1929 -0.0384 -0.0384 0.0637 0.0637 0.0934 0.0934 0.2632 0.2632 0.4158 0.4158 0.7982 0.7982 1.0510 1.0510 1.2100 1.2100 1.4260 1.4260 1.5240 1.5240 1.6024 1.6024 1.6927 1.6927 1.7710 1.7710 1.8435 1.8435 1.9544 1.9544 2.1051 2.1051 2.1295 2.1295 2.3879 2.3879 2.6594 2.6594 2.9861 2.9861 4.2731 4.2731 5.0603 5.0603 5.6298 5.6298 6.4586 6.4586 6.5632 6.5632 6.8220 6.8220 6.9865 6.9865 7.1416 7.1416 k = 0.2917-0.0269-0.0697 ( 12894 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1819 -11.1819 -10.7356 -10.7356 -10.7012 -10.7012 -10.6095 -10.6095 -10.4360 -10.4360 -10.2583 -10.2583 -9.7161 -9.7161 -7.5697 -7.5697 -7.4933 -7.4933 -5.0614 -5.0614 -1.4703 -1.4703 -1.1521 -1.1521 -0.6206 -0.6206 -0.2816 -0.2816 -0.1659 -0.1659 -0.0424 -0.0424 0.0575 0.0575 0.1110 0.1110 0.2820 0.2820 0.4049 0.4049 0.7805 0.7805 1.0438 1.0438 1.2095 1.2095 1.4241 1.4241 1.5277 1.5277 1.5902 1.5902 1.6906 1.6906 1.7696 1.7696 1.8266 1.8266 1.9721 1.9721 2.1052 2.1052 2.1187 2.1187 2.3831 2.3831 2.6426 2.6426 2.9797 2.9797 4.2836 4.2836 5.0850 5.0850 5.6510 5.6510 6.4426 6.4426 6.5504 6.5504 6.8207 6.8207 6.9910 6.9910 7.1487 7.1487 k = 0.2708-0.0249-0.0647 ( 12892 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1887 -11.1887 -10.7358 -10.7358 -10.6961 -10.6961 -10.6068 -10.6068 -10.4396 -10.4396 -10.2524 -10.2524 -9.7192 -9.7192 -7.5662 -7.5662 -7.4935 -7.4935 -5.0646 -5.0646 -1.4820 -1.4820 -1.1718 -1.1718 -0.5976 -0.5976 -0.2763 -0.2763 -0.1381 -0.1381 -0.0475 -0.0475 0.0435 0.0435 0.1421 0.1421 0.2985 0.2985 0.3952 0.3952 0.7629 0.7629 1.0328 1.0328 1.2098 1.2098 1.4209 1.4209 1.5209 1.5209 1.5840 1.5840 1.6894 1.6894 1.7675 1.7675 1.8137 1.8137 1.9905 1.9905 2.0966 2.0966 2.1156 2.1156 2.3786 2.3786 2.6246 2.6246 2.9735 2.9735 4.2942 4.2942 5.1107 5.1107 5.6734 5.6734 6.4257 6.4257 6.5383 6.5383 6.8191 6.8191 6.9928 6.9928 7.1575 7.1575 k = 0.2500-0.0230-0.0597 ( 12899 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1954 -11.1954 -10.7362 -10.7362 -10.6913 -10.6913 -10.6038 -10.6038 -10.4430 -10.4430 -10.2464 -10.2464 -9.7224 -9.7224 -7.5627 -7.5627 -7.4936 -7.4936 -5.0678 -5.0678 -1.4937 -1.4937 -1.1904 -1.1904 -0.5744 -0.5744 -0.2717 -0.2717 -0.1117 -0.1117 -0.0528 -0.0528 0.0337 0.0337 0.1753 0.1753 0.3093 0.3093 0.3907 0.3907 0.7461 0.7461 1.0177 1.0177 1.2096 1.2096 1.4165 1.4165 1.5038 1.5038 1.5860 1.5860 1.6853 1.6853 1.7656 1.7656 1.8063 1.8063 2.0086 2.0086 2.0820 2.0820 2.1186 2.1186 2.3743 2.3743 2.6057 2.6057 2.9676 2.9676 4.3048 4.3048 5.1367 5.1367 5.6969 5.6969 6.4083 6.4083 6.5272 6.5272 6.8173 6.8173 6.9925 6.9925 7.1674 7.1674 k = 0.2292-0.0211-0.0547 ( 12904 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.2019 -11.2019 -10.7365 -10.7365 -10.6868 -10.6868 -10.6006 -10.6006 -10.4463 -10.4463 -10.2405 -10.2405 -9.7256 -9.7256 -7.5591 -7.5591 -7.4937 -7.4937 -5.0710 -5.0710 -1.5053 -1.5053 -1.2079 -1.2079 -0.5511 -0.5511 -0.2677 -0.2677 -0.0949 -0.0949 -0.0511 -0.0511 0.0293 0.0293 0.2088 0.2088 0.3115 0.3115 0.3955 0.3955 0.7304 0.7304 0.9988 0.9988 1.2072 1.2072 1.4107 1.4107 1.4837 1.4837 1.5918 1.5918 1.6758 1.6758 1.7661 1.7661 1.8039 1.8039 2.0229 2.0229 2.0694 2.0694 2.1229 2.1229 2.3702 2.3702 2.5864 2.5864 2.9618 2.9618 4.3152 4.3152 5.1628 5.1628 5.7211 5.7211 6.3906 6.3906 6.5169 6.5169 6.8151 6.8151 6.9905 6.9905 7.1779 7.1779 k = 0.2083-0.0192-0.0498 ( 12895 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.2081 -11.2081 -10.7369 -10.7369 -10.6828 -10.6828 -10.5973 -10.5973 -10.4494 -10.4494 -10.2347 -10.2347 -9.7289 -9.7289 -7.5556 -7.5556 -7.4938 -7.4938 -5.0742 -5.0742 -1.5164 -1.5164 -1.2240 -1.2240 -0.5280 -0.5280 -0.2645 -0.2645 -0.0970 -0.0970 -0.0332 -0.0332 0.0298 0.0298 0.2406 0.2406 0.3081 0.3081 0.4084 0.4084 0.7165 0.7165 0.9766 0.9766 1.2005 1.2005 1.4030 1.4030 1.4659 1.4659 1.5981 1.5981 1.6628 1.6628 1.7690 1.7690 1.8054 1.8054 2.0234 2.0234 2.0692 2.0692 2.1279 2.1279 2.3664 2.3664 2.5670 2.5670 2.9562 2.9562 4.3253 4.3253 5.1884 5.1884 5.7457 5.7457 6.3727 6.3727 6.5075 6.5075 6.8126 6.8126 6.9875 6.9875 7.1886 7.1886 k = 0.1875-0.0173-0.0448 ( 12893 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.2139 -11.2139 -10.7373 -10.7373 -10.6792 -10.6792 -10.5940 -10.5940 -10.4523 -10.4523 -10.2292 -10.2292 -9.7321 -9.7321 -7.5523 -7.5523 -7.4939 -7.4939 -5.0773 -5.0773 -1.5271 -1.5271 -1.2387 -1.2387 -0.5050 -0.5050 -0.2622 -0.2622 -0.1079 -0.1079 -0.0101 -0.0101 0.0348 0.0348 0.2659 0.2659 0.3083 0.3083 0.4255 0.4255 0.7050 0.7050 0.9517 0.9517 1.1879 1.1879 1.3936 1.3936 1.4528 1.4528 1.6020 1.6020 1.6506 1.6506 1.7718 1.7718 1.8104 1.8104 2.0095 2.0095 2.0823 2.0823 2.1333 2.1333 2.3629 2.3629 2.5477 2.5477 2.9508 2.9508 4.3349 4.3349 5.2133 5.2133 5.7704 5.7704 6.3548 6.3548 6.4991 6.4991 6.8097 6.8097 6.9840 6.9840 7.1989 7.1989 k = 0.1667-0.0153-0.0398 ( 12883 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.2193 -11.2193 -10.7377 -10.7377 -10.6761 -10.6761 -10.5907 -10.5907 -10.4550 -10.4550 -10.2239 -10.2239 -9.7352 -9.7352 -7.5491 -7.5491 -7.4939 -7.4939 -5.0802 -5.0802 -1.5371 -1.5371 -1.2518 -1.2518 -0.4825 -0.4825 -0.2606 -0.2606 -0.1207 -0.1207 0.0083 0.0083 0.0455 0.0455 0.2756 0.2756 0.3241 0.3241 0.4441 0.4441 0.6966 0.6966 0.9246 0.9246 1.1689 1.1689 1.3837 1.3837 1.4441 1.4441 1.6001 1.6001 1.6449 1.6449 1.7726 1.7726 1.8187 1.8187 1.9914 1.9914 2.0984 2.0984 2.1390 2.1390 2.3599 2.3599 2.5289 2.5289 2.9457 2.9457 4.3439 4.3439 5.2369 5.2369 5.7947 5.7947 6.3373 6.3373 6.4916 6.4916 6.8065 6.8065 6.9802 6.9802 7.2087 7.2087 k = 0.1458-0.0134-0.0348 ( 12879 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2242 -11.2242 -10.7381 -10.7381 -10.6734 -10.6734 -10.5875 -10.5875 -10.4574 -10.4574 -10.2191 -10.2191 -9.7381 -9.7381 -7.5462 -7.5462 -7.4939 -7.4939 -5.0829 -5.0829 -1.5463 -1.5463 -1.2635 -1.2635 -0.4607 -0.4607 -0.2598 -0.2598 -0.1333 -0.1333 0.0179 0.0179 0.0624 0.0624 0.2773 0.2773 0.3491 0.3491 0.4632 0.4632 0.6920 0.6920 0.8956 0.8956 1.1444 1.1444 1.3744 1.3744 1.4380 1.4380 1.5924 1.5924 1.6473 1.6473 1.7709 1.7709 1.8293 1.8293 1.9726 1.9726 2.1136 2.1136 2.1451 2.1451 2.3577 2.3577 2.5107 2.5107 2.9409 2.9409 4.3522 4.3522 5.2590 5.2590 5.8181 5.8181 6.3204 6.3204 6.4851 6.4851 6.8032 6.8032 6.9764 6.9764 7.2177 7.2177 k = 0.1250-0.0115-0.0299 ( 12876 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2286 -11.2286 -10.7385 -10.7385 -10.6711 -10.6711 -10.5846 -10.5846 -10.4595 -10.4595 -10.2147 -10.2147 -9.7407 -9.7407 -7.5436 -7.5436 -7.4939 -7.4939 -5.0854 -5.0854 -1.5546 -1.5546 -1.2735 -1.2735 -0.4400 -0.4400 -0.2593 -0.2593 -0.1454 -0.1454 0.0210 0.0210 0.0817 0.0817 0.2798 0.2798 0.3746 0.3746 0.4827 0.4827 0.6914 0.6914 0.8654 0.8654 1.1160 1.1160 1.3660 1.3660 1.4329 1.4329 1.5837 1.5837 1.6540 1.6540 1.7673 1.7673 1.8409 1.8409 1.9545 1.9545 2.1265 2.1265 2.1519 2.1519 2.3563 2.3563 2.4935 2.4935 2.9366 2.9366 4.3597 4.3597 5.2790 5.2790 5.8403 5.8403 6.3043 6.3043 6.4795 6.4795 6.7999 6.7999 6.9728 6.9728 7.2257 7.2257 k = 0.1042-0.0096-0.0249 ( 12869 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2323 -11.2323 -10.7388 -10.7388 -10.6693 -10.6693 -10.5819 -10.5819 -10.4614 -10.4614 -10.2108 -10.2108 -9.7431 -9.7431 -7.5414 -7.5414 -7.4939 -7.4939 -5.0876 -5.0876 -1.5619 -1.5619 -1.2820 -1.2820 -0.4207 -0.4207 -0.2588 -0.2588 -0.1569 -0.1569 0.0202 0.0202 0.1003 0.1003 0.2839 0.2839 0.3984 0.3984 0.5026 0.5026 0.6942 0.6942 0.8349 0.8349 1.0858 1.0858 1.3584 1.3584 1.4282 1.4282 1.5768 1.5768 1.6625 1.6625 1.7619 1.7619 1.8525 1.8525 1.9379 1.9379 2.1361 2.1361 2.1595 2.1595 2.3559 2.3559 2.4776 2.4776 2.9327 2.9327 4.3662 4.3662 5.2968 5.2968 5.8606 5.8606 6.2895 6.2895 6.4748 6.4748 6.7967 6.7967 6.9696 6.9696 7.2325 7.2326 k = 0.0833-0.0077-0.0199 ( 12876 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2354 -11.2354 -10.7390 -10.7390 -10.6678 -10.6678 -10.5797 -10.5797 -10.4629 -10.4629 -10.2075 -10.2075 -9.7452 -9.7452 -7.5395 -7.5395 -7.4938 -7.4938 -5.0894 -5.0894 -1.5679 -1.5679 -1.2889 -1.2889 -0.4035 -0.4035 -0.2578 -0.2578 -0.1678 -0.1678 0.0172 0.0172 0.1171 0.1171 0.2880 0.2880 0.4205 0.4205 0.5232 0.5232 0.6981 0.6981 0.8062 0.8062 1.0556 1.0556 1.3515 1.3515 1.4237 1.4237 1.5724 1.5724 1.6719 1.6719 1.7550 1.7550 1.8633 1.8633 1.9233 1.9233 2.1424 2.1424 2.1675 2.1675 2.3566 2.3566 2.4631 2.4631 2.9293 2.9293 4.3717 4.3717 5.3118 5.3118 5.8785 5.8785 6.2763 6.2763 6.4710 6.4710 6.7937 6.7937 6.9669 6.9669 7.2382 7.2382 k = 0.0625-0.0058-0.0149 ( 12875 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2379 -11.2379 -10.7392 -10.7392 -10.6667 -10.6667 -10.5779 -10.5779 -10.4641 -10.4641 -10.2049 -10.2049 -9.7468 -9.7468 -7.5380 -7.5380 -7.4938 -7.4938 -5.0909 -5.0909 -1.5728 -1.5728 -1.2942 -1.2942 -0.3891 -0.3891 -0.2560 -0.2560 -0.1780 -0.1780 0.0132 0.0132 0.1317 0.1317 0.2905 0.2905 0.4404 0.4404 0.5450 0.5450 0.6970 0.6970 0.7845 0.7845 1.0274 1.0274 1.3454 1.3454 1.4198 1.4198 1.5702 1.5702 1.6817 1.6817 1.7470 1.7470 1.8726 1.8726 1.9113 1.9113 2.1464 2.1464 2.1747 2.1747 2.3581 2.3581 2.4507 2.4507 2.9266 2.9266 4.3760 4.3760 5.3238 5.3238 5.8933 5.8933 6.2653 6.2653 6.4681 6.4681 6.7913 6.7913 6.9647 6.9647 7.2427 7.2427 k = 0.0417-0.0038-0.0100 ( 12867 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2397 -11.2397 -10.7394 -10.7394 -10.6659 -10.6659 -10.5765 -10.5765 -10.4649 -10.4649 -10.2030 -10.2030 -9.7480 -9.7480 -7.5369 -7.5369 -7.4937 -7.4937 -5.0920 -5.0920 -1.5763 -1.5763 -1.2980 -1.2980 -0.3782 -0.3782 -0.2534 -0.2534 -0.1871 -0.1871 0.0094 0.0094 0.1434 0.1434 0.2911 0.2911 0.4568 0.4568 0.5689 0.5689 0.6832 0.6832 0.7761 0.7761 1.0035 1.0035 1.3406 1.3406 1.4167 1.4167 1.5693 1.5693 1.6915 1.6915 1.7383 1.7383 1.8801 1.8801 1.9021 1.9021 2.1488 2.1488 2.1804 2.1804 2.3600 2.3600 2.4408 2.4408 2.9246 2.9246 4.3791 4.3791 5.3327 5.3327 5.9045 5.9045 6.2569 6.2569 6.4660 6.4660 6.7894 6.7894 6.9631 6.9631 7.2459 7.2459 k = 0.0208-0.0019-0.0050 ( 12869 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2407 -11.2407 -10.7395 -10.7395 -10.6655 -10.6655 -10.5757 -10.5757 -10.4655 -10.4655 -10.2018 -10.2018 -9.7487 -9.7487 -7.5363 -7.5363 -7.4937 -7.4937 -5.0926 -5.0926 -1.5784 -1.5784 -1.3003 -1.3003 -0.3714 -0.3714 -0.2506 -0.2506 -0.1939 -0.1939 0.0068 0.0068 0.1511 0.1511 0.2906 0.2906 0.4675 0.4675 0.5951 0.5951 0.6585 0.6585 0.7774 0.7774 0.9870 0.9870 1.3374 1.3374 1.4148 1.4148 1.5691 1.5691 1.7005 1.7005 1.7298 1.7298 1.8858 1.8858 1.8954 1.8954 2.1501 2.1501 2.1839 2.1839 2.3617 2.3617 2.4343 2.4343 2.9234 2.9234 4.3811 4.3811 5.3380 5.3380 5.9115 5.9115 6.2516 6.2516 6.4647 6.4647 6.7883 6.7883 6.9622 6.9622 7.2478 7.2478 k = 0.0000 0.0000 0.0000 ( 12869 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2411 -11.2411 -10.7395 -10.7395 -10.6653 -10.6653 -10.5754 -10.5754 -10.4656 -10.4656 -10.2014 -10.2014 -9.7490 -9.7490 -7.5360 -7.5360 -7.4937 -7.4937 -5.0928 -5.0928 -1.5791 -1.5791 -1.3011 -1.3011 -0.3691 -0.3691 -0.2494 -0.2494 -0.1965 -0.1965 0.0059 0.0059 0.1539 0.1539 0.2903 0.2903 0.4712 0.4712 0.6156 0.6156 0.6377 0.6377 0.7790 0.7790 0.9810 0.9810 1.3363 1.3363 1.4142 1.4142 1.5691 1.5691 1.7053 1.7053 1.7252 1.7252 1.8896 1.8896 1.8914 1.8914 2.1505 2.1505 2.1851 2.1851 2.3623 2.3623 2.4320 2.4320 2.9230 2.9230 4.3817 4.3817 5.3398 5.3398 5.9139 5.9139 6.2498 6.2498 6.4643 6.4643 6.7879 6.7879 6.9619 6.9619 7.2485 7.2485 k = 0.0000 0.0000 0.0000 ( 12869 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2411 -11.2411 -10.7395 -10.7395 -10.6653 -10.6653 -10.5754 -10.5754 -10.4656 -10.4656 -10.2014 -10.2014 -9.7490 -9.7490 -7.5360 -7.5360 -7.4937 -7.4937 -5.0928 -5.0928 -1.5791 -1.5791 -1.3011 -1.3011 -0.3691 -0.3691 -0.2494 -0.2494 -0.1965 -0.1965 0.0059 0.0059 0.1539 0.1539 0.2903 0.2903 0.4712 0.4712 0.6156 0.6156 0.6377 0.6377 0.7790 0.7790 0.9810 0.9810 1.3363 1.3363 1.4142 1.4142 1.5691 1.5691 1.7053 1.7053 1.7252 1.7252 1.8896 1.8896 1.8914 1.8914 2.1505 2.1505 2.1851 2.1851 2.3623 2.3623 2.4320 2.4320 2.9230 2.9230 4.3817 4.3817 5.3398 5.3398 5.9139 5.9139 6.2498 6.2498 6.4643 6.4643 6.7879 6.7879 6.9619 6.9619 7.2485 7.2485 k = 0.0000 0.0207-0.0057 ( 12869 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2406 -11.2406 -10.7395 -10.7395 -10.6656 -10.6656 -10.5755 -10.5755 -10.4658 -10.4658 -10.2015 -10.2015 -9.7490 -9.7490 -7.5360 -7.5360 -7.4936 -7.4936 -5.0928 -5.0928 -1.5786 -1.5786 -1.3001 -1.3001 -0.3715 -0.3715 -0.2533 -0.2533 -0.1912 -0.1912 0.0032 0.0032 0.1574 0.1574 0.2894 0.2894 0.4692 0.4692 0.6146 0.6146 0.6382 0.6382 0.7774 0.7774 0.9870 0.9870 1.3360 1.3360 1.4115 1.4115 1.5682 1.5682 1.7067 1.7067 1.7267 1.7267 1.8843 1.8843 1.8951 1.8951 2.1506 2.1506 2.1853 2.1853 2.3612 2.3612 2.4346 2.4346 2.9223 2.9223 4.3825 4.3825 5.3379 5.3379 5.9114 5.9114 6.2508 6.2508 6.4652 6.4652 6.7889 6.7889 6.9625 6.9625 7.2479 7.2479 k = 0.0000 0.0415-0.0113 ( 12871 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2393 -11.2393 -10.7395 -10.7395 -10.6664 -10.6664 -10.5758 -10.5758 -10.4661 -10.4661 -10.2016 -10.2016 -9.7493 -9.7493 -7.5360 -7.5360 -7.4935 -7.4935 -5.0926 -5.0926 -1.5771 -1.5771 -1.2973 -1.2973 -0.3786 -0.3786 -0.2611 -0.2611 -0.1791 -0.1791 -0.0040 -0.0040 0.1670 0.1670 0.2872 0.2872 0.4631 0.4631 0.6077 0.6077 0.6431 0.6431 0.7746 0.7746 1.0032 1.0032 1.3346 1.3346 1.4043 1.4043 1.5659 1.5659 1.7095 1.7095 1.7319 1.7319 1.8768 1.8768 1.8981 1.8981 2.1509 2.1509 2.1858 2.1858 2.3579 2.3579 2.4422 2.4422 2.9201 2.9201 4.3850 4.3850 5.3322 5.3322 5.9039 5.9039 6.2538 6.2538 6.4676 6.4676 6.7920 6.7920 6.9643 6.9643 7.2460 7.2460 k = 0.0000 0.0622-0.0170 ( 12872 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2371 -11.2371 -10.7396 -10.7396 -10.6677 -10.6677 -10.5762 -10.5762 -10.4667 -10.4667 -10.2018 -10.2018 -9.7496 -9.7496 -7.5359 -7.5359 -7.4934 -7.4934 -5.0923 -5.0923 -1.5746 -1.5746 -1.2926 -1.2926 -0.3904 -0.3904 -0.2684 -0.2684 -0.1654 -0.1654 -0.0135 -0.0135 0.1805 0.1805 0.2848 0.2848 0.4532 0.4532 0.5922 0.5922 0.6543 0.6543 0.7740 0.7740 1.0256 1.0256 1.3309 1.3309 1.3948 1.3948 1.5633 1.5633 1.7119 1.7119 1.7409 1.7409 1.8678 1.8678 1.9000 1.9000 2.1512 2.1512 2.1863 2.1863 2.3532 2.3532 2.4542 2.4542 2.9164 2.9164 4.3891 4.3891 5.3228 5.3228 5.8918 5.8918 6.2586 6.2586 6.4716 6.4716 6.7971 6.7971 6.9674 6.9674 7.2429 7.2429 k = 0.0000 0.0830-0.0227 ( 12869 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2340 -11.2340 -10.7397 -10.7397 -10.6696 -10.6696 -10.5768 -10.5768 -10.4675 -10.4675 -10.2020 -10.2020 -9.7501 -9.7501 -7.5358 -7.5358 -7.4931 -7.4931 -5.0919 -5.0919 -1.5711 -1.5711 -1.2860 -1.2860 -0.4062 -0.4062 -0.2741 -0.2741 -0.1527 -0.1527 -0.0234 -0.0234 0.1955 0.1955 0.2840 0.2840 0.4402 0.4402 0.5700 0.5700 0.6689 0.6689 0.7786 0.7786 1.0503 1.0503 1.3235 1.3235 1.3863 1.3863 1.5611 1.5611 1.7136 1.7136 1.7519 1.7519 1.8576 1.8576 1.9010 1.9010 2.1516 2.1516 2.1867 2.1867 2.3477 2.3477 2.4700 2.4700 2.9115 2.9115 4.3947 4.3947 5.3100 5.3100 5.8758 5.8758 6.2651 6.2651 6.4771 6.4771 6.8038 6.8038 6.9715 6.9715 7.2387 7.2387 k = 0.0000 0.1037-0.0283 ( 12868 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2301 -11.2301 -10.7398 -10.7398 -10.6720 -10.6720 -10.5775 -10.5775 -10.4685 -10.4685 -10.2023 -10.2023 -9.7507 -9.7507 -7.5357 -7.5357 -7.4928 -7.4928 -5.0914 -5.0914 -1.5668 -1.5668 -1.2775 -1.2775 -0.4248 -0.4248 -0.2790 -0.2790 -0.1422 -0.1422 -0.0318 -0.0318 0.2092 0.2092 0.2862 0.2862 0.4260 0.4260 0.5435 0.5435 0.6841 0.6841 0.7895 0.7895 1.0739 1.0739 1.3118 1.3118 1.3818 1.3818 1.5593 1.5593 1.7152 1.7152 1.7626 1.7626 1.8465 1.8465 1.9017 1.9017 2.1517 2.1517 2.1866 2.1866 2.3417 2.3417 2.4889 2.4889 2.9054 2.9054 4.4018 4.4018 5.2940 5.2940 5.8563 5.8563 6.2728 6.2728 6.4840 6.4840 6.8122 6.8122 6.9765 6.9765 7.2334 7.2334 k = 0.0000 0.1245-0.0340 ( 12871 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2254 -11.2254 -10.7400 -10.7400 -10.6750 -10.6750 -10.5783 -10.5783 -10.4698 -10.4698 -10.2027 -10.2027 -9.7514 -9.7514 -7.5355 -7.5355 -7.4925 -7.4925 -5.0908 -5.0908 -1.5615 -1.5615 -1.2672 -1.2672 -0.4453 -0.4453 -0.2844 -0.2844 -0.1341 -0.1341 -0.0377 -0.0377 0.2181 0.2181 0.2929 0.2929 0.4133 0.4133 0.5147 0.5147 0.6978 0.6978 0.8068 0.8068 1.0928 1.0928 1.2987 1.2987 1.3814 1.3814 1.5580 1.5580 1.7173 1.7173 1.7709 1.7709 1.8351 1.8351 1.9028 1.9028 2.1514 2.1514 2.1859 2.1859 2.3356 2.3356 2.5104 2.5104 2.8984 2.8984 4.4103 4.4103 5.2752 5.2752 5.8340 5.8340 6.2818 6.2818 6.4921 6.4921 6.8217 6.8217 6.9822 6.9822 7.2271 7.2271 k = 0.0000 0.1452-0.0397 ( 12877 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2199 -11.2199 -10.7403 -10.7403 -10.6786 -10.6786 -10.5791 -10.5791 -10.4713 -10.4713 -10.2030 -10.2030 -9.7522 -9.7522 -7.5354 -7.5354 -7.4921 -7.4921 -5.0901 -5.0901 -1.5555 -1.5555 -1.2552 -1.2552 -0.4668 -0.4668 -0.2914 -0.2914 -0.1282 -0.1282 -0.0402 -0.0402 0.2191 0.2191 0.3038 0.3038 0.4061 0.4061 0.4850 0.4850 0.7095 0.7095 0.8291 0.8291 1.1037 1.1037 1.2882 1.2882 1.3846 1.3846 1.5566 1.5566 1.7200 1.7200 1.7749 1.7749 1.8248 1.8248 1.9046 1.9046 2.1503 2.1503 2.1848 2.1848 2.3295 2.3295 2.5337 2.5337 2.8907 2.8907 4.4200 4.4200 5.2540 5.2540 5.8097 5.8097 6.2916 6.2916 6.5015 6.5015 6.8322 6.8322 6.9885 6.9885 7.2201 7.2201 k = 0.0000 0.1660-0.0453 ( 12871 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2137 -11.2137 -10.7407 -10.7407 -10.6827 -10.6827 -10.5800 -10.5800 -10.4729 -10.4729 -10.2033 -10.2033 -9.7532 -9.7532 -7.5352 -7.5352 -7.4916 -7.4916 -5.0893 -5.0893 -1.5487 -1.5487 -1.2414 -1.2414 -0.4889 -0.4889 -0.3008 -0.3008 -0.1244 -0.1244 -0.0389 -0.0389 0.2106 0.2106 0.3171 0.3171 0.4069 0.4069 0.4565 0.4565 0.7196 0.7196 0.8543 0.8543 1.1047 1.1047 1.2829 1.2829 1.3911 1.3911 1.5548 1.5548 1.7234 1.7234 1.7729 1.7729 1.8175 1.8175 1.9073 1.9073 2.1480 2.1480 2.1839 2.1839 2.3237 2.3237 2.5578 2.5578 2.8829 2.8829 4.4308 4.4308 5.2307 5.2307 5.7839 5.7839 6.3022 6.3022 6.5119 6.5119 6.8433 6.8433 6.9949 6.9949 7.2124 7.2124 k = 0.0000 0.1867-0.0510 ( 12865 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2068 -11.2068 -10.7413 -10.7413 -10.6873 -10.6873 -10.5808 -10.5808 -10.4747 -10.4747 -10.2035 -10.2035 -9.7541 -9.7541 -7.5350 -7.5350 -7.4912 -7.4912 -5.0885 -5.0885 -1.5412 -1.5412 -1.2259 -1.2259 -0.5112 -0.5112 -0.3127 -0.3127 -0.1226 -0.1226 -0.0332 -0.0332 0.1937 0.1937 0.3301 0.3301 0.4107 0.4107 0.4363 0.4363 0.7286 0.7286 0.8801 0.8801 1.0968 1.0968 1.2819 1.2819 1.4008 1.4008 1.5524 1.5524 1.7271 1.7271 1.7655 1.7655 1.8137 1.8137 1.9106 1.9106 2.1439 2.1439 2.1837 2.1837 2.3181 2.3181 2.5818 2.5818 2.8755 2.8755 4.4425 4.4425 5.2059 5.2059 5.7572 5.7572 6.3135 6.3135 6.5234 6.5234 6.8547 6.8547 7.0010 7.0010 7.2046 7.2046 k = 0.0000 0.2075-0.0566 ( 12862 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.1993 -11.1993 -10.7420 -10.7420 -10.6924 -10.6924 -10.5816 -10.5816 -10.4766 -10.4766 -10.2037 -10.2037 -9.7552 -9.7552 -7.5348 -7.5348 -7.4907 -7.4907 -5.0876 -5.0876 -1.5332 -1.5332 -1.2089 -1.2089 -0.5334 -0.5334 -0.3266 -0.3266 -0.1232 -0.1232 -0.0234 -0.0234 0.1711 0.1711 0.3381 0.3381 0.3993 0.3993 0.4450 0.4450 0.7370 0.7370 0.9043 0.9043 1.0842 1.0842 1.2825 1.2825 1.4131 1.4131 1.5494 1.5494 1.7297 1.7297 1.7566 1.7566 1.8122 1.8122 1.9137 1.9137 2.1379 2.1379 2.1850 2.1850 2.3129 2.3129 2.6043 2.6043 2.8693 2.8693 4.4549 4.4549 5.1800 5.1800 5.7301 5.7301 6.3252 6.3252 6.5358 6.5358 6.8661 6.8661 7.0064 7.0064 7.1970 7.1970 k = 0.0000 0.2282-0.0623 ( 12862 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.1913 -11.1913 -10.7431 -10.7431 -10.6977 -10.6977 -10.5823 -10.5823 -10.4786 -10.4786 -10.2039 -10.2039 -9.7562 -9.7562 -7.5346 -7.5346 -7.4902 -7.4902 -5.0868 -5.0868 -1.5247 -1.5247 -1.1904 -1.1904 -0.5555 -0.5555 -0.3418 -0.3418 -0.1260 -0.1260 -0.0103 -0.0103 0.1464 0.1464 0.3315 0.3315 0.3953 0.3953 0.4668 0.4668 0.7448 0.7448 0.9246 0.9246 1.0716 1.0716 1.2823 1.2823 1.4263 1.4263 1.5465 1.5465 1.7272 1.7272 1.7524 1.7524 1.8123 1.8123 1.9158 1.9158 2.1299 2.1299 2.1881 2.1881 2.3080 2.3080 2.6238 2.6238 2.8654 2.8654 4.4678 4.4678 5.1534 5.1534 5.7030 5.7030 6.3372 6.3372 6.5493 6.5493 6.8773 6.8773 7.0103 7.0103 7.1901 7.1901 k = 0.0000 0.2490-0.0680 ( 12858 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.1828 -11.1828 -10.7445 -10.7445 -10.7032 -10.7032 -10.5829 -10.5829 -10.4807 -10.4807 -10.2039 -10.2039 -9.7573 -9.7573 -7.5344 -7.5344 -7.4896 -7.4896 -5.0859 -5.0859 -1.5158 -1.5158 -1.1706 -1.1706 -0.5774 -0.5774 -0.3578 -0.3578 -0.1306 -0.1306 0.0033 0.0033 0.1233 0.1233 0.3114 0.3114 0.4051 0.4051 0.4917 0.4917 0.7519 0.7519 0.9388 0.9388 1.0631 1.0631 1.2804 1.2804 1.4372 1.4372 1.5455 1.5455 1.7190 1.7190 1.7544 1.7544 1.8142 1.8142 1.9161 1.9161 2.1203 2.1203 2.1929 2.1929 2.3033 2.3033 2.6390 2.6390 2.8650 2.8650 4.4810 4.4810 5.1266 5.1266 5.6765 5.6765 6.3494 6.3494 6.5637 6.5637 6.8880 6.8880 7.0120 7.0120 7.1847 7.1847 k = 0.0000 0.2697-0.0736 ( 12850 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.1740 -11.1740 -10.7466 -10.7466 -10.7085 -10.7085 -10.5835 -10.5835 -10.4828 -10.4828 -10.2040 -10.2040 -9.7584 -9.7584 -7.5342 -7.5342 -7.4891 -7.4891 -5.0850 -5.0850 -1.5067 -1.5067 -1.1496 -1.1496 -0.5991 -0.5991 -0.3740 -0.3740 -0.1365 -0.1365 0.0116 0.0116 0.1080 0.1080 0.2880 0.2880 0.4198 0.4198 0.5173 0.5173 0.7580 0.7580 0.9456 0.9456 1.0612 1.0612 1.2768 1.2768 1.4422 1.4422 1.5491 1.5491 1.7098 1.7098 1.7582 1.7582 1.8183 1.8183 1.9145 1.9145 2.1096 2.1096 2.1994 2.1994 2.2987 2.2987 2.6487 2.6487 2.8688 2.8688 4.4942 4.4942 5.1001 5.1001 5.6509 5.6509 6.3615 6.3615 6.5790 6.5790 6.8980 6.8980 7.0109 7.0109 7.1813 7.1813 k = 0.0000 0.2905-0.0793 ( 12861 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.1649 -11.1649 -10.7495 -10.7495 -10.7134 -10.7134 -10.5840 -10.5840 -10.4848 -10.4848 -10.2039 -10.2039 -9.7595 -9.7595 -7.5341 -7.5341 -7.4886 -7.4886 -5.0841 -5.0841 -1.4975 -1.4975 -1.1276 -1.1276 -0.6206 -0.6206 -0.3899 -0.3899 -0.1432 -0.1432 0.0070 0.0070 0.1073 0.1073 0.2659 0.2659 0.4351 0.4351 0.5418 0.5418 0.7625 0.7625 0.9471 0.9471 1.0651 1.0651 1.2717 1.2717 1.4395 1.4395 1.5584 1.5584 1.7021 1.7021 1.7619 1.7619 1.8246 1.8246 1.9107 1.9107 2.0982 2.0982 2.2072 2.2072 2.2941 2.2941 2.6526 2.6526 2.8770 2.8770 4.5071 4.5071 5.0743 5.0743 5.6265 5.6265 6.3734 6.3734 6.5952 6.5952 6.9069 6.9069 7.0065 7.0065 7.1803 7.1803 k = 0.0000 0.3112-0.0850 ( 12863 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.1558 -11.1558 -10.7533 -10.7533 -10.7176 -10.7176 -10.5844 -10.5844 -10.4867 -10.4867 -10.2038 -10.2038 -9.7605 -9.7605 -7.5339 -7.5339 -7.4881 -7.4881 -5.0832 -5.0832 -1.4883 -1.4883 -1.1047 -1.1047 -0.6418 -0.6418 -0.4051 -0.4051 -0.1504 -0.1504 -0.0095 -0.0095 0.1186 0.1186 0.2485 0.2485 0.4497 0.4497 0.5641 0.5641 0.7651 0.7651 0.9475 0.9475 1.0715 1.0715 1.2656 1.2656 1.4304 1.4304 1.5718 1.5718 1.6968 1.6968 1.7651 1.7651 1.8325 1.8325 1.9049 1.9049 2.0865 2.0865 2.2158 2.2158 2.2897 2.2897 2.6513 2.6513 2.8888 2.8888 4.5196 4.5196 5.0496 5.0496 5.6036 5.6036 6.3849 6.3849 6.6123 6.6123 6.9146 6.9146 6.9991 6.9991 7.1816 7.1816 k = 0.0000 0.3320-0.0906 ( 12861 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.1468 -11.1468 -10.7581 -10.7581 -10.7209 -10.7209 -10.5847 -10.5847 -10.4886 -10.4886 -10.2037 -10.2037 -9.7615 -9.7615 -7.5337 -7.5337 -7.4877 -7.4877 -5.0824 -5.0824 -1.4794 -1.4794 -1.0813 -1.0813 -0.6628 -0.6628 -0.4193 -0.4193 -0.1579 -0.1579 -0.0306 -0.0306 0.1307 0.1307 0.2403 0.2403 0.4627 0.4627 0.5830 0.5830 0.7654 0.7654 0.9500 0.9500 1.0777 1.0777 1.2588 1.2588 1.4177 1.4177 1.5868 1.5868 1.6941 1.6941 1.7681 1.7681 1.8406 1.8406 1.8979 1.8979 2.0751 2.0751 2.2249 2.2249 2.2855 2.2855 2.6461 2.6461 2.9029 2.9029 4.5314 4.5314 5.0265 5.0265 5.5825 5.5825 6.3958 6.3958 6.6303 6.6303 6.9206 6.9206 6.9892 6.9892 7.1847 7.1847 k = 0.0000 0.3527-0.0963 ( 12865 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.1380 -11.1380 -10.7637 -10.7637 -10.7234 -10.7234 -10.5850 -10.5850 -10.4902 -10.4902 -10.2036 -10.2036 -9.7624 -9.7624 -7.5336 -7.5336 -7.4873 -7.4873 -5.0817 -5.0817 -1.4708 -1.4708 -1.0576 -1.0576 -0.6836 -0.6836 -0.4323 -0.4323 -0.1653 -0.1653 -0.0521 -0.0521 0.1348 0.1348 0.2463 0.2463 0.4735 0.4735 0.5979 0.5979 0.7640 0.7640 0.9559 0.9559 1.0822 1.0822 1.2515 1.2515 1.4037 1.4037 1.6015 1.6015 1.6940 1.6940 1.7714 1.7714 1.8464 1.8464 1.8917 1.8917 2.0644 2.0644 2.2339 2.2339 2.2815 2.2815 2.6384 2.6384 2.9179 2.9179 4.5422 4.5422 5.0052 5.0052 5.5634 5.5634 6.4059 6.4059 6.6490 6.6490 6.9237 6.9237 6.9785 6.9785 7.1892 7.1892 k = 0.0000 0.3734-0.1020 ( 12867 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.1296 -11.1296 -10.7696 -10.7696 -10.7251 -10.7251 -10.5852 -10.5852 -10.4918 -10.4918 -10.2034 -10.2034 -9.7632 -9.7632 -7.5334 -7.5334 -7.4869 -7.4869 -5.0810 -5.0810 -1.4629 -1.4629 -1.0339 -1.0339 -0.7040 -0.7040 -0.4439 -0.4439 -0.1726 -0.1726 -0.0723 -0.0723 0.1300 0.1300 0.2656 0.2656 0.4816 0.4816 0.6079 0.6079 0.7616 0.7616 0.9651 0.9651 1.0846 1.0846 1.2441 1.2441 1.3899 1.3899 1.6151 1.6151 1.6958 1.6958 1.7752 1.7752 1.8457 1.8457 1.8902 1.8902 2.0547 2.0547 2.2421 2.2421 2.2781 2.2781 2.6295 2.6295 2.9327 2.9327 4.5520 4.5520 4.9861 4.9861 5.5465 5.5465 6.4150 6.4150 6.6685 6.6685 6.9221 6.9221 6.9694 6.9694 7.1944 7.1944 k = 0.0000 0.3942-0.1076 ( 12864 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.1220 -11.1220 -10.7755 -10.7755 -10.7264 -10.7264 -10.5854 -10.5854 -10.4931 -10.4931 -10.2032 -10.2032 -9.7639 -9.7639 -7.5333 -7.5333 -7.4866 -7.4866 -5.0805 -5.0805 -1.4557 -1.4557 -1.0106 -1.0106 -0.7239 -0.7239 -0.4540 -0.4540 -0.1796 -0.1796 -0.0902 -0.0902 0.1211 0.1211 0.2924 0.2924 0.4869 0.4869 0.6131 0.6131 0.7592 0.7592 0.9765 0.9765 1.0850 1.0850 1.2369 1.2369 1.3775 1.3775 1.6275 1.6275 1.6985 1.6985 1.7797 1.7797 1.8374 1.8374 1.8945 1.8945 2.0462 2.0462 2.2487 2.2487 2.2759 2.2759 2.6203 2.6203 2.9464 2.9464 4.5604 4.5604 4.9696 4.9696 5.5320 5.5320 6.4231 6.4231 6.6884 6.6884 6.9137 6.9137 6.9646 6.9646 7.1996 7.1996 k = 0.0000 0.4149-0.1133 ( 12868 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.1153 -11.1153 -10.7810 -10.7810 -10.7273 -10.7273 -10.5855 -10.5855 -10.4942 -10.4942 -10.2031 -10.2031 -9.7645 -9.7645 -7.5332 -7.5332 -7.4863 -7.4863 -5.0800 -5.0800 -1.4495 -1.4495 -0.9883 -0.9883 -0.7430 -0.7430 -0.4624 -0.4624 -0.1859 -0.1859 -0.1051 -0.1051 0.1116 0.1116 0.3221 0.3221 0.4889 0.4889 0.6138 0.6138 0.7572 0.7572 0.9888 0.9888 1.0840 1.0840 1.2300 1.2300 1.3669 1.3669 1.6393 1.6393 1.7010 1.7010 1.7844 1.7844 1.8251 1.8251 1.9017 1.9017 2.0389 2.0389 2.2529 2.2529 2.2756 2.2756 2.6117 2.6117 2.9582 2.9582 4.5675 4.5675 4.9557 4.9557 5.5199 5.5199 6.4298 6.4298 6.7086 6.7086 6.8996 6.8996 6.9636 6.9636 7.2044 7.2044 k = 0.0000 0.4357-0.1190 ( 12864 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.1097 -11.1097 -10.7856 -10.7856 -10.7279 -10.7279 -10.5856 -10.5856 -10.4950 -10.4950 -10.2030 -10.2030 -9.7650 -9.7650 -7.5331 -7.5331 -7.4861 -7.4861 -5.0796 -5.0796 -1.4444 -1.4444 -0.9679 -0.9679 -0.7606 -0.7606 -0.4691 -0.4691 -0.1914 -0.1914 -0.1168 -0.1168 0.1034 0.1034 0.3517 0.3517 0.4876 0.4876 0.6112 0.6112 0.7560 0.7560 1.0004 1.0004 1.0824 1.0824 1.2239 1.2239 1.3586 1.3586 1.6509 1.6509 1.7021 1.7021 1.7880 1.7880 1.8127 1.8127 1.9090 1.9090 2.0330 2.0330 2.2544 2.2544 2.2772 2.2772 2.6043 2.6043 2.9679 2.9679 4.5730 4.5730 4.9447 4.9447 5.5105 5.5105 6.4352 6.4352 6.7286 6.7286 6.8828 6.8828 6.9642 6.9642 7.2085 7.2085 k = 0.0000 0.4564-0.1246 ( 12869 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1055 -11.1055 -10.7892 -10.7892 -10.7283 -10.7283 -10.5857 -10.5857 -10.4957 -10.4957 -10.2029 -10.2029 -9.7653 -9.7653 -7.5331 -7.5331 -7.4859 -7.4859 -5.0793 -5.0793 -1.4407 -1.4407 -0.9507 -0.9507 -0.7757 -0.7757 -0.4739 -0.4739 -0.1957 -0.1957 -0.1252 -0.1252 0.0972 0.0972 0.3788 0.3788 0.4830 0.4830 0.6071 0.6071 0.7553 0.7553 1.0101 1.0101 1.0806 1.0806 1.2191 1.2191 1.3525 1.3525 1.6623 1.6623 1.7013 1.7013 1.7877 1.7877 1.8049 1.8049 1.9151 1.9151 2.0284 2.0284 2.2544 2.2544 2.2797 2.2797 2.5986 2.5986 2.9750 2.9750 4.5770 4.5770 4.9368 4.9368 5.5037 5.5037 6.4392 6.4392 6.7473 6.7473 6.8656 6.8656 6.9652 6.9652 7.2116 7.2116 k = 0.0000 0.4772-0.1303 ( 12867 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.1029 -11.1029 -10.7915 -10.7915 -10.7285 -10.7285 -10.5857 -10.5857 -10.4960 -10.4960 -10.2028 -10.2028 -9.7655 -9.7655 -7.5330 -7.5330 -7.4858 -7.4858 -5.0791 -5.0791 -1.4384 -1.4384 -0.9386 -0.9386 -0.7864 -0.7864 -0.4768 -0.4768 -0.1984 -0.1984 -0.1302 -0.1302 0.0934 0.0934 0.3999 0.3999 0.4765 0.4765 0.6036 0.6036 0.7550 0.7550 1.0165 1.0165 1.0793 1.0793 1.2159 1.2159 1.3489 1.3489 1.6723 1.6723 1.6984 1.6984 1.7833 1.7833 1.8036 1.8036 1.9192 1.9192 2.0256 2.0256 2.2539 2.2539 2.2815 2.2815 2.5950 2.5950 2.9793 2.9793 4.5794 4.5794 4.9320 4.9320 5.4996 5.4996 6.4416 6.4416 6.7624 6.7624 6.8513 6.8513 6.9659 6.9659 7.2136 7.2136 k = 0.0000 0.4979-0.1360 ( 12864 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.1021 -11.1021 -10.7922 -10.7922 -10.7285 -10.7285 -10.5857 -10.5857 -10.4962 -10.4962 -10.2028 -10.2028 -9.7656 -9.7656 -7.5330 -7.5330 -7.4858 -7.4858 -5.0791 -5.0791 -1.4376 -1.4376 -0.9342 -0.9342 -0.7904 -0.7904 -0.4778 -0.4778 -0.1993 -0.1993 -0.1319 -0.1319 0.0921 0.0921 0.4086 0.4086 0.4728 0.4728 0.6022 0.6022 0.7549 0.7549 1.0188 1.0188 1.0788 1.0788 1.2148 1.2148 1.3477 1.3477 1.6772 1.6772 1.6960 1.6960 1.7810 1.7810 1.8038 1.8038 1.9207 1.9207 2.0246 2.0246 2.2537 2.2537 2.2822 2.2822 2.5938 2.5938 2.9808 2.9808 4.5802 4.5802 4.9304 4.9304 5.4982 5.4982 6.4423 6.4423 6.7687 6.7687 6.8451 6.8451 6.9662 6.9662 7.2142 7.2142 k = 0.5000 0.4519-0.2554 ( 12882 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0754 -11.0754 -10.7334 -10.7334 -10.7193 -10.7193 -10.6144 -10.6144 -10.4542 -10.4542 -10.2991 -10.2991 -9.7900 -9.7900 -7.5696 -7.5696 -7.4890 -7.4890 -5.0633 -5.0633 -1.5506 -1.5506 -1.0220 -1.0220 -0.6422 -0.6422 -0.1214 -0.1214 0.0435 0.0435 0.1211 0.1211 0.2434 0.2434 0.4054 0.4054 0.5309 0.5309 0.5446 0.5446 0.6067 0.6067 0.8950 0.8950 1.0000 1.0000 1.0193 1.0193 1.2529 1.2529 1.3488 1.3488 1.4854 1.4854 1.4930 1.4930 1.7896 1.7896 2.0735 2.0735 2.0845 2.0845 2.2615 2.2615 2.2737 2.2737 2.8758 2.8758 3.0089 3.0089 4.5171 4.5171 5.2496 5.2496 5.7907 5.7907 6.1471 6.1471 6.4513 6.4513 6.8536 6.8536 7.0805 7.0805 7.2351 7.2351 k = 0.4853 0.4386-0.2479 ( 12868 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0758 -11.0758 -10.7335 -10.7335 -10.7191 -10.7191 -10.6144 -10.6144 -10.4542 -10.4542 -10.2989 -10.2989 -9.7898 -9.7898 -7.5696 -7.5696 -7.4890 -7.4890 -5.0633 -5.0633 -1.5506 -1.5506 -1.0223 -1.0223 -0.6436 -0.6436 -0.1214 -0.1214 0.0434 0.0434 0.1210 0.1210 0.2441 0.2441 0.4028 0.4028 0.5298 0.5298 0.5464 0.5464 0.6095 0.6095 0.8952 0.8952 0.9952 0.9952 1.0222 1.0222 1.2534 1.2534 1.3489 1.3489 1.4844 1.4844 1.4970 1.4970 1.7901 1.7901 2.0700 2.0700 2.0865 2.0865 2.2534 2.2534 2.2811 2.2811 2.8756 2.8756 3.0083 3.0083 4.5169 4.5169 5.2496 5.2496 5.7907 5.7907 6.1477 6.1477 6.4514 6.4514 6.8537 6.8537 7.0802 7.0802 7.2349 7.2349 k = 0.4706 0.4253-0.2404 ( 12866 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0770 -11.0770 -10.7337 -10.7337 -10.7184 -10.7184 -10.6142 -10.6142 -10.4543 -10.4543 -10.2984 -10.2984 -9.7893 -9.7893 -7.5693 -7.5693 -7.4890 -7.4890 -5.0634 -5.0634 -1.5507 -1.5507 -1.0231 -1.0231 -0.6476 -0.6476 -0.1215 -0.1215 0.0432 0.0432 0.1206 0.1206 0.2464 0.2464 0.3958 0.3958 0.5280 0.5280 0.5504 0.5504 0.6176 0.6176 0.8959 0.8959 0.9845 0.9845 1.0279 1.0279 1.2543 1.2543 1.3502 1.3502 1.4822 1.4822 1.5075 1.5075 1.7916 1.7916 2.0622 2.0622 2.0898 2.0898 2.2407 2.2407 2.2918 2.2918 2.8750 2.8750 3.0067 3.0067 4.5162 4.5162 5.2497 5.2497 5.7908 5.7908 6.1495 6.1495 6.4519 6.4519 6.8539 6.8539 7.0793 7.0793 7.2343 7.2343 k = 0.4559 0.4120-0.2329 ( 12867 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0790 -11.0790 -10.7339 -10.7339 -10.7174 -10.7174 -10.6140 -10.6140 -10.4546 -10.4546 -10.2976 -10.2976 -9.7885 -9.7885 -7.5690 -7.5690 -7.4891 -7.4891 -5.0636 -5.0636 -1.5510 -1.5510 -1.0246 -1.0246 -0.6539 -0.6539 -0.1218 -0.1218 0.0425 0.0425 0.1198 0.1198 0.2499 0.2499 0.3860 0.3860 0.5265 0.5265 0.5549 0.5549 0.6300 0.6300 0.8967 0.8967 0.9711 0.9711 1.0343 1.0343 1.2542 1.2542 1.3545 1.3545 1.4792 1.4792 1.5228 1.5228 1.7941 1.7941 2.0517 2.0517 2.0927 2.0927 2.2269 2.2269 2.3022 2.3022 2.8738 2.8738 3.0040 3.0040 4.5150 4.5150 5.2498 5.2498 5.7909 5.7909 6.1525 6.1525 6.4525 6.4525 6.8543 6.8543 7.0778 7.0778 7.2334 7.2334 k = 0.4412 0.3987-0.2254 ( 12870 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0818 -11.0818 -10.7342 -10.7342 -10.7160 -10.7160 -10.6137 -10.6137 -10.4548 -10.4548 -10.2964 -10.2964 -9.7873 -9.7873 -7.5684 -7.5684 -7.4893 -7.4893 -5.0638 -5.0638 -1.5513 -1.5513 -1.0267 -1.0267 -0.6621 -0.6621 -0.1223 -0.1223 0.0413 0.0413 0.1184 0.1184 0.2541 0.2541 0.3752 0.3752 0.5250 0.5250 0.5595 0.5595 0.6455 0.6455 0.8972 0.8972 0.9568 0.9568 1.0415 1.0415 1.2524 1.2524 1.3626 1.3626 1.4761 1.4761 1.5410 1.5410 1.7978 1.7978 2.0386 2.0386 2.0951 2.0951 2.2125 2.2125 2.3122 2.3122 2.8719 2.8719 3.0004 3.0004 4.5134 4.5134 5.2501 5.2501 5.7912 5.7912 6.1565 6.1565 6.4535 6.4535 6.8548 6.8548 7.0757 7.0757 7.2322 7.2322 k = 0.4265 0.3854-0.2178 ( 12876 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0852 -11.0852 -10.7345 -10.7345 -10.7144 -10.7144 -10.6132 -10.6132 -10.4552 -10.4552 -10.2948 -10.2948 -9.7858 -9.7858 -7.5678 -7.5678 -7.4894 -7.4894 -5.0642 -5.0642 -1.5517 -1.5517 -1.0296 -1.0296 -0.6714 -0.6714 -0.1233 -0.1233 0.0394 0.0394 0.1162 0.1162 0.2581 0.2581 0.3656 0.3656 0.5231 0.5231 0.5644 0.5644 0.6632 0.6632 0.8960 0.8960 0.9442 0.9442 1.0496 1.0496 1.2492 1.2492 1.3733 1.3733 1.4742 1.4742 1.5605 1.5605 1.8027 1.8027 2.0231 2.0231 2.0968 2.0968 2.1978 2.1978 2.3216 2.3216 2.8690 2.8690 2.9960 2.9960 4.5114 4.5114 5.2505 5.2505 5.7916 5.7916 6.1615 6.1615 6.4546 6.4546 6.8554 6.8554 7.0732 7.0732 7.2308 7.2308 k = 0.4118 0.3721-0.2103 ( 12879 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0894 -11.0894 -10.7348 -10.7348 -10.7125 -10.7125 -10.6127 -10.6127 -10.4556 -10.4556 -10.2930 -10.2930 -9.7841 -9.7841 -7.5670 -7.5670 -7.4896 -7.4896 -5.0646 -5.0646 -1.5522 -1.5522 -1.0333 -1.0333 -0.6813 -0.6813 -0.1247 -0.1247 0.0365 0.0365 0.1131 0.1131 0.2606 0.2606 0.3588 0.3588 0.5203 0.5203 0.5694 0.5694 0.6824 0.6824 0.8908 0.8908 0.9368 0.9368 1.0588 1.0588 1.2455 1.2455 1.3837 1.3837 1.4757 1.4757 1.5803 1.5803 1.8089 1.8089 2.0053 2.0053 2.0978 2.0978 2.1828 2.1828 2.3304 2.3304 2.8649 2.8649 2.9911 2.9911 4.5089 4.5089 5.2511 5.2511 5.7923 5.7923 6.1673 6.1673 6.4558 6.4558 6.8559 6.8559 7.0703 7.0703 7.2292 7.2292 k = 0.3971 0.3589-0.2028 ( 12880 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0942 -11.0942 -10.7350 -10.7350 -10.7105 -10.7105 -10.6120 -10.6120 -10.4561 -10.4561 -10.2908 -10.2908 -9.7821 -9.7821 -7.5661 -7.5661 -7.4898 -7.4898 -5.0650 -5.0650 -1.5527 -1.5527 -1.0381 -1.0381 -0.6911 -0.6911 -0.1265 -0.1265 0.0326 0.0326 0.1090 0.1090 0.2605 0.2605 0.3560 0.3560 0.5160 0.5160 0.5745 0.5745 0.7027 0.7027 0.8807 0.8807 0.9363 0.9363 1.0690 1.0690 1.2424 1.2424 1.3903 1.3903 1.4832 1.4832 1.5994 1.5994 1.8161 1.8161 1.9857 1.9857 2.0979 2.0979 2.1681 2.1681 2.3386 2.3386 2.8594 2.8594 2.9857 2.9857 4.5059 4.5059 5.2520 5.2520 5.7933 5.7933 6.1738 6.1738 6.4571 6.4571 6.8562 6.8562 7.0670 7.0670 7.2276 7.2276 k = 0.3824 0.3456-0.1953 ( 12882 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0995 -11.0995 -10.7352 -10.7352 -10.7084 -10.7084 -10.6111 -10.6111 -10.4566 -10.4566 -10.2883 -10.2883 -9.7800 -9.7800 -7.5650 -7.5650 -7.4900 -7.4900 -5.0656 -5.0656 -1.5534 -1.5534 -1.0440 -1.0440 -0.7002 -0.7002 -0.1288 -0.1288 0.0275 0.0275 0.1040 0.1040 0.2578 0.2578 0.3570 0.3570 0.5102 0.5102 0.5794 0.5794 0.7237 0.7237 0.8685 0.8685 0.9413 0.9413 1.0800 1.0800 1.2405 1.2405 1.3917 1.3917 1.4977 1.4977 1.6172 1.6172 1.8238 1.8238 1.9649 1.9649 2.0967 2.0967 2.1541 2.1541 2.3463 2.3463 2.8524 2.8524 2.9800 2.9800 4.5025 4.5025 5.2531 5.2531 5.7946 5.7946 6.1809 6.1809 6.4585 6.4585 6.8564 6.8564 7.0634 7.0634 7.2260 7.2260 k = 0.3676 0.3323-0.1878 ( 12887 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1054 -11.1054 -10.7353 -10.7353 -10.7062 -10.7062 -10.6102 -10.6102 -10.4571 -10.4571 -10.2856 -10.2856 -9.7777 -9.7777 -7.5639 -7.5639 -7.4902 -7.4902 -5.0663 -5.0663 -1.5542 -1.5542 -1.0510 -1.0510 -0.7080 -0.7080 -0.1314 -0.1314 0.0212 0.0212 0.0983 0.0983 0.2534 0.2534 0.3605 0.3605 0.5028 0.5028 0.5838 0.5838 0.7447 0.7447 0.8567 0.8567 0.9503 0.9503 1.0915 1.0915 1.2401 1.2401 1.3891 1.3891 1.5176 1.5176 1.6334 1.6334 1.8308 1.8308 1.9443 1.9443 2.0936 2.0936 2.1417 2.1417 2.3534 2.3534 2.8437 2.8437 2.9739 2.9739 4.4986 4.4986 5.2546 5.2546 5.7964 5.7964 6.1884 6.1884 6.4599 6.4599 6.8563 6.8563 7.0597 7.0597 7.2245 7.2245 k = 0.3529 0.3190-0.1803 ( 12889 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1118 -11.1118 -10.7354 -10.7354 -10.7039 -10.7039 -10.6091 -10.6091 -10.4577 -10.4577 -10.2826 -10.2826 -9.7753 -9.7753 -7.5626 -7.5626 -7.4905 -7.4905 -5.0670 -5.0670 -1.5550 -1.5550 -1.0593 -1.0593 -0.7142 -0.7142 -0.1343 -0.1343 0.0136 0.0136 0.0918 0.0918 0.2484 0.2484 0.3645 0.3645 0.4945 0.4945 0.5876 0.5876 0.7645 0.7645 0.8468 0.8468 0.9630 0.9630 1.1032 1.1032 1.2417 1.2417 1.3843 1.3843 1.5403 1.5403 1.6479 1.6479 1.8347 1.8347 1.9265 1.9265 2.0878 2.0878 2.1319 2.1319 2.3597 2.3597 2.8335 2.8335 2.9675 2.9675 4.4943 4.4943 5.2564 5.2564 5.7987 5.7987 6.1960 6.1960 6.4612 6.4612 6.8559 6.8559 7.0558 7.0558 7.2233 7.2233 k = 0.3382 0.3057-0.1728 ( 12886 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1185 -11.1185 -10.7354 -10.7354 -10.7016 -10.7016 -10.6079 -10.6079 -10.4582 -10.4582 -10.2793 -10.2793 -9.7729 -9.7729 -7.5613 -7.5613 -7.4908 -7.4908 -5.0678 -5.0678 -1.5559 -1.5559 -1.0689 -1.0689 -0.7182 -0.7182 -0.1372 -0.1372 0.0049 0.0049 0.0847 0.0847 0.2436 0.2436 0.3674 0.3674 0.4860 0.4860 0.5908 0.5908 0.7809 0.7809 0.8404 0.8404 0.9797 0.9797 1.1148 1.1148 1.2452 1.2452 1.3789 1.3789 1.5637 1.5637 1.6608 1.6608 1.8322 1.8322 1.9152 1.9152 2.0790 2.0790 2.1255 2.1255 2.3652 2.3652 2.8220 2.8220 2.9607 2.9607 4.4895 4.4895 5.2586 5.2586 5.8014 5.8014 6.2038 6.2038 6.4625 6.4625 6.8549 6.8549 7.0518 7.0518 7.2224 7.2224 k = 0.3235 0.2924-0.1653 ( 12878 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1255 -11.1255 -10.7355 -10.7355 -10.6992 -10.6992 -10.6065 -10.6065 -10.4588 -10.4588 -10.2758 -10.2758 -9.7704 -9.7704 -7.5599 -7.5599 -7.4910 -7.4910 -5.0688 -5.0688 -1.5569 -1.5569 -1.0797 -1.0797 -0.7200 -0.7200 -0.1402 -0.1402 -0.0047 -0.0047 0.0769 0.0769 0.2396 0.2396 0.3679 0.3679 0.4783 0.4783 0.5932 0.5932 0.7911 0.7911 0.8394 0.8394 1.0004 1.0004 1.1262 1.1262 1.2505 1.2505 1.3739 1.3739 1.5860 1.5860 1.6720 1.6720 1.8225 1.8225 1.9124 1.9124 2.0681 2.0681 2.1219 2.1219 2.3697 2.3697 2.8094 2.8094 2.9534 2.9534 4.4843 4.4843 5.2611 5.2611 5.8048 5.8048 6.2115 6.2115 6.4638 6.4638 6.8535 6.8535 7.0478 7.0478 7.2219 7.2219 k = 0.3088 0.2791-0.1578 ( 12876 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1328 -11.1328 -10.7355 -10.7355 -10.6969 -10.6969 -10.6050 -10.6050 -10.4594 -10.4594 -10.2720 -10.2720 -9.7680 -9.7680 -7.5585 -7.5585 -7.4913 -7.4913 -5.0698 -5.0698 -1.5580 -1.5580 -1.0916 -1.0916 -0.7193 -0.7193 -0.1431 -0.1431 -0.0150 -0.0150 0.0683 0.0683 0.2366 0.2366 0.3654 0.3654 0.4725 0.4725 0.5948 0.5948 0.7938 0.7938 0.8442 0.8442 1.0246 1.0246 1.1376 1.1376 1.2573 1.2573 1.3698 1.3698 1.6050 1.6050 1.6808 1.6808 1.8106 1.8106 1.9151 1.9151 2.0564 2.0564 2.1203 2.1203 2.3730 2.3730 2.7959 2.7959 2.9458 2.9458 4.4788 4.4788 5.2641 5.2641 5.8086 5.8086 6.2189 6.2189 6.4649 6.4649 6.8516 6.8516 7.0438 7.0438 7.2219 7.2219 k = 0.2941 0.2658-0.1502 ( 12868 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1403 -11.1403 -10.7356 -10.7356 -10.6945 -10.6945 -10.6034 -10.6034 -10.4600 -10.4600 -10.2681 -10.2681 -9.7656 -9.7656 -7.5569 -7.5569 -7.4916 -7.4916 -5.0709 -5.0709 -1.5591 -1.5591 -1.1043 -1.1043 -0.7161 -0.7161 -0.1459 -0.1459 -0.0257 -0.0257 0.0590 0.0590 0.2344 0.2344 0.3598 0.3598 0.4689 0.4689 0.5956 0.5956 0.7920 0.7920 0.8519 0.8519 1.0508 1.0508 1.1496 1.1496 1.2649 1.2649 1.3671 1.3671 1.6189 1.6189 1.6855 1.6855 1.8041 1.8041 1.9196 1.9196 2.0449 2.0449 2.1201 2.1201 2.3750 2.3750 2.7818 2.7818 2.9378 2.9378 4.4728 4.4728 5.2675 5.2675 5.8130 5.8130 6.2260 6.2260 6.4660 6.4660 6.8491 6.8491 7.0397 7.0397 7.2222 7.2222 k = 0.2794 0.2525-0.1427 ( 12878 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1479 -11.1479 -10.7357 -10.7357 -10.6922 -10.6922 -10.6017 -10.6017 -10.4605 -10.4605 -10.2640 -10.2640 -9.7633 -9.7633 -7.5554 -7.5554 -7.4918 -7.4918 -5.0721 -5.0721 -1.5603 -1.5603 -1.1179 -1.1179 -0.7105 -0.7105 -0.1485 -0.1485 -0.0366 -0.0366 0.0488 0.0488 0.2329 0.2329 0.3523 0.3523 0.4672 0.4672 0.5953 0.5953 0.7884 0.7884 0.8596 0.8596 1.0765 1.0765 1.1633 1.1633 1.2729 1.2729 1.3659 1.3659 1.6259 1.6259 1.6856 1.6856 1.8078 1.8078 1.9239 1.9239 2.0343 2.0343 2.1209 2.1209 2.3754 2.3754 2.7672 2.7672 2.9297 2.9297 4.4666 4.4666 5.2712 5.2712 5.8179 5.8179 6.2326 6.2326 6.4669 6.4669 6.8462 6.8462 7.0355 7.0355 7.2231 7.2231 k = 0.2647 0.2392-0.1352 ( 12877 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1555 -11.1555 -10.7358 -10.7358 -10.6898 -10.6898 -10.5999 -10.5999 -10.4610 -10.4610 -10.2597 -10.2597 -9.7612 -9.7612 -7.5538 -7.5538 -7.4921 -7.4921 -5.0733 -5.0733 -1.5616 -1.5616 -1.1319 -1.1319 -0.7023 -0.7023 -0.1510 -0.1510 -0.0474 -0.0474 0.0378 0.0378 0.2318 0.2318 0.3441 0.3441 0.4667 0.4667 0.5939 0.5939 0.7845 0.7845 0.8663 0.8663 1.0990 1.0990 1.1792 1.1792 1.2804 1.2804 1.3667 1.3667 1.6252 1.6252 1.6844 1.6844 1.8209 1.8209 1.9273 1.9273 2.0250 2.0250 2.1225 2.1225 2.3741 2.3741 2.7520 2.7520 2.9218 2.9218 4.4602 4.4602 5.2752 5.2752 5.8233 5.8233 6.2386 6.2386 6.4678 6.4678 6.8427 6.8427 7.0313 7.0313 7.2243 7.2243 k = 0.2500 0.2259-0.1277 ( 12875 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1632 -11.1632 -10.7359 -10.7359 -10.6876 -10.6876 -10.5980 -10.5980 -10.4615 -10.4615 -10.2554 -10.2554 -9.7592 -9.7592 -7.5522 -7.5522 -7.4923 -7.4923 -5.0746 -5.0746 -1.5629 -1.5629 -1.1462 -1.1462 -0.6919 -0.6919 -0.1534 -0.1534 -0.0578 -0.0578 0.0260 0.0260 0.2307 0.2307 0.3367 0.3367 0.4666 0.4666 0.5912 0.5912 0.7807 0.7807 0.8719 0.8719 1.1169 1.1169 1.1964 1.1964 1.2869 1.2869 1.3701 1.3701 1.6195 1.6195 1.6848 1.6848 1.8391 1.8391 1.9302 1.9302 2.0172 2.0172 2.1248 2.1248 2.3711 2.3711 2.7362 2.7362 2.9145 2.9145 4.4536 4.4536 5.2795 5.2795 5.8291 5.8291 6.2440 6.2440 6.4686 6.4686 6.8389 6.8389 7.0271 7.0271 7.2259 7.2259 k = 0.2353 0.2127-0.1202 ( 12872 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1707 -11.1707 -10.7361 -10.7361 -10.6853 -10.6853 -10.5961 -10.5961 -10.4620 -10.4620 -10.2509 -10.2509 -9.7574 -9.7574 -7.5507 -7.5507 -7.4926 -7.4926 -5.0760 -5.0760 -1.5642 -1.5642 -1.1607 -1.1607 -0.6791 -0.6791 -0.1560 -0.1560 -0.0676 -0.0676 0.0136 0.0136 0.2293 0.2293 0.3310 0.3310 0.4664 0.4664 0.5872 0.5872 0.7773 0.7773 0.8763 0.8763 1.1301 1.1301 1.2114 1.2114 1.2923 1.2923 1.3772 1.3772 1.6138 1.6138 1.6864 1.6864 1.8578 1.8578 1.9344 1.9344 2.0106 2.0106 2.1274 2.1274 2.3666 2.3666 2.7195 2.7195 2.9083 2.9083 4.4468 4.4468 5.2840 5.2840 5.8353 5.8353 6.2487 6.2487 6.4692 6.4692 6.8347 6.8347 7.0227 7.0227 7.2277 7.2277 k = 0.2206 0.1994-0.1127 ( 12876 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1781 -11.1781 -10.7363 -10.7363 -10.6832 -10.6832 -10.5941 -10.5941 -10.4625 -10.4625 -10.2464 -10.2464 -9.7557 -9.7557 -7.5491 -7.5491 -7.4928 -7.4928 -5.0775 -5.0775 -1.5655 -1.5655 -1.1751 -1.1751 -0.6643 -0.6643 -0.1591 -0.1591 -0.0764 -0.0764 0.0009 0.0009 0.2270 0.2270 0.3280 0.3280 0.4657 0.4657 0.5819 0.5819 0.7744 0.7744 0.8797 0.8797 1.1392 1.1392 1.2204 1.2204 1.2971 1.2971 1.3888 1.3888 1.6122 1.6122 1.6885 1.6885 1.8725 1.8725 1.9422 1.9422 2.0055 2.0055 2.1303 2.1303 2.3607 2.3607 2.7016 2.7016 2.9034 2.9034 4.4401 4.4401 5.2887 5.2887 5.8418 5.8418 6.2526 6.2526 6.4697 6.4697 6.8304 6.8304 7.0182 7.0182 7.2298 7.2298 k = 0.2059 0.1861-0.1052 ( 12872 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1853 -11.1853 -10.7366 -10.7366 -10.6811 -10.6811 -10.5922 -10.5922 -10.4629 -10.4629 -10.2419 -10.2419 -9.7543 -9.7543 -7.5476 -7.5476 -7.4930 -7.4930 -5.0789 -5.0789 -1.5669 -1.5669 -1.1892 -1.1892 -0.6474 -0.6474 -0.1630 -0.1630 -0.0840 -0.0840 -0.0117 -0.0117 0.2237 0.2237 0.3280 0.3280 0.4640 0.4640 0.5755 0.5755 0.7720 0.7720 0.8820 0.8820 1.1433 1.1433 1.2228 1.2228 1.3026 1.3026 1.4046 1.4046 1.6165 1.6165 1.6907 1.6907 1.8810 1.8810 1.9542 1.9542 2.0027 2.0027 2.1333 2.1333 2.3540 2.3540 2.6825 2.6825 2.9002 2.9002 4.4335 4.4335 5.2935 5.2935 5.8485 5.8485 6.2557 6.2557 6.4700 6.4700 6.8259 6.8259 7.0136 7.0136 7.2320 7.2320 k = 0.1912 0.1728-0.0977 ( 12876 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1922 -11.1922 -10.7368 -10.7368 -10.6791 -10.6791 -10.5903 -10.5903 -10.4633 -10.4633 -10.2374 -10.2374 -9.7530 -9.7530 -7.5462 -7.5462 -7.4931 -7.4931 -5.0804 -5.0804 -1.5682 -1.5682 -1.2030 -1.2030 -0.6287 -0.6287 -0.1682 -0.1682 -0.0901 -0.0901 -0.0237 -0.0237 0.2194 0.2194 0.3312 0.3312 0.4609 0.4609 0.5682 0.5682 0.7701 0.7701 0.8830 0.8830 1.1395 1.1395 1.2234 1.2234 1.3090 1.3090 1.4227 1.4227 1.6263 1.6263 1.6931 1.6931 1.8843 1.8843 1.9645 1.9645 2.0059 2.0059 2.1364 2.1364 2.3469 2.3469 2.6619 2.6619 2.8987 2.8987 4.4270 4.4270 5.2984 5.2984 5.8553 5.8553 6.2580 6.2580 6.4702 6.4702 6.8214 6.8214 7.0088 7.0088 7.2342 7.2342 k = 0.1765 0.1595-0.0901 ( 12872 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1989 -11.1989 -10.7371 -10.7371 -10.6772 -10.6772 -10.5884 -10.5884 -10.4636 -10.4636 -10.2329 -10.2329 -9.7520 -9.7520 -7.5448 -7.5448 -7.4933 -7.4933 -5.0819 -5.0819 -1.5696 -1.5696 -1.2162 -1.2162 -0.6083 -0.6083 -0.1749 -0.1749 -0.0951 -0.0951 -0.0343 -0.0343 0.2142 0.2142 0.3372 0.3372 0.4558 0.4558 0.5607 0.5607 0.7685 0.7685 0.8824 0.8824 1.1261 1.1261 1.2275 1.2275 1.3158 1.3158 1.4412 1.4412 1.6397 1.6397 1.6964 1.6964 1.8850 1.8850 1.9663 1.9663 2.0190 2.0190 2.1397 2.1397 2.3401 2.3401 2.6401 2.6401 2.8987 2.8987 4.4208 4.4208 5.3033 5.3033 5.8622 5.8622 6.2595 6.2595 6.4702 6.4702 6.8170 6.8170 7.0039 7.0039 7.2363 7.2363 k = 0.1618 0.1462-0.0826 ( 12873 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.2052 -11.2052 -10.7374 -10.7374 -10.6754 -10.6754 -10.5865 -10.5865 -10.4639 -10.4639 -10.2286 -10.2286 -9.7511 -9.7511 -7.5435 -7.5435 -7.4934 -7.4934 -5.0833 -5.0833 -1.5709 -1.5709 -1.2287 -1.2287 -0.5864 -0.5864 -0.1828 -0.1828 -0.0997 -0.0997 -0.0426 -0.0426 0.2085 0.2085 0.3456 0.3456 0.4483 0.4483 0.5535 0.5535 0.7674 0.7674 0.8798 0.8798 1.1051 1.1051 1.2365 1.2365 1.3229 1.3229 1.4589 1.4589 1.6537 1.6537 1.7020 1.7020 1.8848 1.8848 1.9616 1.9616 2.0379 2.0379 2.1431 2.1431 2.3341 2.3341 2.6173 2.6173 2.8999 2.8999 4.4148 4.4148 5.3082 5.3082 5.8690 5.8690 6.2603 6.2603 6.4700 6.4700 6.8127 6.8127 6.9990 6.9990 7.2384 7.2384 k = 0.1471 0.1329-0.0751 ( 12876 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.2111 -11.2111 -10.7377 -10.7377 -10.6738 -10.6738 -10.5848 -10.5848 -10.4642 -10.4642 -10.2245 -10.2245 -9.7504 -9.7504 -7.5422 -7.5422 -7.4935 -7.4935 -5.0848 -5.0848 -1.5721 -1.5721 -1.2405 -1.2405 -0.5632 -0.5632 -0.1917 -0.1917 -0.1052 -0.1052 -0.0475 -0.0475 0.2024 0.2024 0.3558 0.3558 0.4383 0.4383 0.5474 0.5474 0.7664 0.7664 0.8746 0.8746 1.0807 1.0807 1.2488 1.2488 1.3301 1.3301 1.4755 1.4755 1.6645 1.6645 1.7116 1.7116 1.8844 1.8844 1.9539 1.9539 2.0576 2.0576 2.1467 2.1467 2.3296 2.3296 2.5939 2.5939 2.9022 2.9022 4.4093 4.4093 5.3129 5.3129 5.8756 5.8756 6.2604 6.2604 6.4696 6.4696 6.8088 6.8088 6.9940 6.9940 7.2403 7.2403 k = 0.1324 0.1196-0.0676 ( 12872 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2165 -11.2165 -10.7380 -10.7380 -10.6722 -10.6722 -10.5831 -10.5831 -10.4645 -10.4645 -10.2205 -10.2205 -9.7499 -9.7499 -7.5411 -7.5411 -7.4936 -7.4936 -5.0861 -5.0861 -1.5733 -1.5733 -1.2515 -1.2515 -0.5391 -0.5391 -0.2012 -0.2012 -0.1123 -0.1123 -0.0485 -0.0485 0.1962 0.1962 0.3669 0.3669 0.4262 0.4262 0.5429 0.5429 0.7654 0.7654 0.8659 0.8659 1.0564 1.0564 1.2629 1.2629 1.3377 1.3377 1.4907 1.4907 1.6709 1.6709 1.7248 1.7248 1.8841 1.8841 1.9448 1.9448 2.0765 2.0765 2.1507 2.1507 2.3270 2.3270 2.5703 2.5703 2.9050 2.9050 4.4041 4.4041 5.3174 5.3174 5.8820 5.8820 6.2599 6.2599 6.4691 6.4691 6.8050 6.8050 6.9890 6.9890 7.2420 7.2420 k = 0.1176 0.1063-0.0601 ( 12878 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2215 -11.2215 -10.7383 -10.7383 -10.6708 -10.6708 -10.5816 -10.5816 -10.4647 -10.4647 -10.2168 -10.2168 -9.7495 -9.7495 -7.5401 -7.5401 -7.4936 -7.4936 -5.0874 -5.0874 -1.5744 -1.5744 -1.2615 -1.2615 -0.5143 -0.5143 -0.2107 -0.2107 -0.1213 -0.1213 -0.0460 -0.0460 0.1900 0.1900 0.3762 0.3762 0.4149 0.4149 0.5401 0.5401 0.7642 0.7642 0.8531 0.8531 1.0348 1.0348 1.2777 1.2777 1.3457 1.3457 1.5047 1.5047 1.6744 1.6744 1.7385 1.7385 1.8838 1.8838 1.9352 1.9352 2.0937 2.0937 2.1548 2.1548 2.3267 2.3267 2.5471 2.5471 2.9081 2.9081 4.3995 4.3995 5.3216 5.3216 5.8881 5.8881 6.2590 6.2590 6.4685 6.4685 6.8016 6.8016 6.9841 6.9841 7.2434 7.2434 k = 0.1029 0.0930-0.0526 ( 12874 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2260 -11.2260 -10.7385 -10.7385 -10.6695 -10.6695 -10.5802 -10.5802 -10.4650 -10.4650 -10.2134 -10.2134 -9.7493 -9.7493 -7.5391 -7.5391 -7.4936 -7.4936 -5.0886 -5.0886 -1.5755 -1.5755 -1.2705 -1.2705 -0.4892 -0.4892 -0.2198 -0.2198 -0.1315 -0.1315 -0.0407 -0.0407 0.1839 0.1839 0.3750 0.3750 0.4131 0.4131 0.5392 0.5392 0.7621 0.7621 0.8363 0.8363 1.0174 1.0174 1.2921 1.2921 1.3546 1.3546 1.5176 1.5176 1.6767 1.6767 1.7499 1.7499 1.8835 1.8835 1.9257 1.9257 2.1088 2.1088 2.1589 2.1589 2.3286 2.3286 2.5247 2.5247 2.9113 2.9113 4.3953 4.3953 5.3256 5.3256 5.8937 5.8937 6.2577 6.2577 6.4678 6.4678 6.7986 6.7986 6.9795 6.9795 7.2447 7.2447 k = 0.0882 0.0797-0.0451 ( 12880 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2299 -11.2299 -10.7388 -10.7388 -10.6684 -10.6684 -10.5790 -10.5790 -10.4651 -10.4651 -10.2104 -10.2104 -9.7491 -9.7491 -7.5383 -7.5383 -7.4937 -7.4937 -5.0897 -5.0897 -1.5764 -1.5764 -1.2785 -1.2785 -0.4644 -0.4644 -0.2281 -0.2281 -0.1425 -0.1425 -0.0336 -0.0336 0.1779 0.1779 0.3614 0.3614 0.4231 0.4231 0.5406 0.5406 0.7581 0.7581 0.8170 0.8170 1.0044 1.0044 1.3049 1.3049 1.3645 1.3645 1.5294 1.5294 1.6788 1.6788 1.7571 1.7571 1.8829 1.8829 1.9173 1.9173 2.1219 2.1219 2.1631 2.1631 2.3326 2.3326 2.5037 2.5037 2.9142 2.9142 4.3917 4.3917 5.3291 5.3291 5.8987 5.8987 6.2562 6.2562 6.4671 6.4671 6.7959 6.7959 6.9752 6.9752 7.2458 7.2458 k = 0.0735 0.0665-0.0376 ( 12883 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.2333 -11.2333 -10.7390 -10.7390 -10.6675 -10.6675 -10.5779 -10.5779 -10.4653 -10.4653 -10.2077 -10.2077 -9.7490 -9.7490 -7.5376 -7.5376 -7.4937 -7.4937 -5.0906 -5.0906 -1.5772 -1.5772 -1.2853 -1.2853 -0.4405 -0.4405 -0.2354 -0.2354 -0.1540 -0.1540 -0.0252 -0.0252 0.1722 0.1722 0.3443 0.3443 0.4362 0.4362 0.5447 0.5447 0.7491 0.7491 0.7994 0.7994 0.9953 0.9953 1.3156 1.3156 1.3756 1.3756 1.5400 1.5400 1.6813 1.6813 1.7593 1.7593 1.8824 1.8824 1.9105 1.9105 2.1325 2.1325 2.1674 2.1674 2.3381 2.3381 2.4845 2.4845 2.9168 2.9168 4.3887 4.3887 5.3323 5.3323 5.9032 5.9032 6.2546 6.2546 6.4663 6.4663 6.7935 6.7935 6.9714 6.9714 7.2467 7.2467 k = 0.0588 0.0532-0.0300 ( 12881 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2361 -11.2361 -10.7392 -10.7392 -10.6667 -10.6667 -10.5770 -10.5770 -10.4654 -10.4654 -10.2055 -10.2055 -9.7490 -9.7490 -7.5371 -7.5371 -7.4937 -7.4937 -5.0914 -5.0914 -1.5779 -1.5779 -1.2909 -1.2909 -0.4182 -0.4182 -0.2413 -0.2413 -0.1657 -0.1657 -0.0165 -0.0165 0.1668 0.1668 0.3272 0.3272 0.4487 0.4487 0.5523 0.5523 0.7318 0.7318 0.7881 0.7881 0.9892 0.9892 1.3237 1.3237 1.3870 1.3870 1.5495 1.5495 1.6846 1.6846 1.7564 1.7564 1.8824 1.8824 1.9052 1.9052 2.1404 2.1404 2.1720 2.1720 2.3444 2.3444 2.4674 2.4674 2.9190 2.9190 4.3862 4.3862 5.3349 5.3349 5.9070 5.9070 6.2531 6.2531 6.4657 6.4657 6.7915 6.7915 6.9681 6.9681 7.2473 7.2473 k = 0.0441 0.0399-0.0225 ( 12875 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2382 -11.2382 -10.7393 -10.7393 -10.6661 -10.6661 -10.5763 -10.5763 -10.4655 -10.4655 -10.2037 -10.2037 -9.7490 -9.7490 -7.5366 -7.5366 -7.4937 -7.4937 -5.0920 -5.0920 -1.5784 -1.5784 -1.2953 -1.2953 -0.3986 -0.3986 -0.2455 -0.2455 -0.1769 -0.1769 -0.0080 -0.0080 0.1619 0.1619 0.3122 0.3122 0.4589 0.4589 0.5642 0.5642 0.7078 0.7078 0.7827 0.7827 0.9853 0.9853 1.3295 1.3295 1.3978 1.3978 1.5575 1.5575 1.6891 1.6891 1.7494 1.7494 1.8832 1.8832 1.9010 1.9010 2.1455 2.1455 2.1768 2.1768 2.3509 2.3509 2.4531 2.4531 2.9208 2.9208 4.3842 4.3842 5.3370 5.3370 5.9100 5.9100 6.2517 6.2517 6.4651 6.4651 6.7900 6.7900 6.9654 6.9654 7.2479 7.2479 k = 0.0294 0.0266-0.0150 ( 12868 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2398 -11.2398 -10.7394 -10.7394 -10.6657 -10.6657 -10.5758 -10.5758 -10.4656 -10.4656 -10.2025 -10.2025 -9.7490 -9.7490 -7.5363 -7.5363 -7.4937 -7.4937 -5.0924 -5.0924 -1.5788 -1.5788 -1.2985 -1.2985 -0.3829 -0.3829 -0.2481 -0.2481 -0.1868 -0.1868 -0.0008 -0.0008 0.1578 0.1578 0.3004 0.3004 0.4659 0.4659 0.5806 0.5806 0.6813 0.6813 0.7803 0.7803 0.9828 0.9828 1.3334 1.3334 1.4065 1.4065 1.5637 1.5637 1.6949 1.6949 1.7399 1.7399 1.8849 1.8849 1.8973 1.8973 2.1486 2.1486 2.1811 2.1811 2.3566 2.3566 2.4419 2.4419 2.9220 2.9220 4.3828 4.3828 5.3386 5.3386 5.9121 5.9121 6.2507 6.2507 6.4647 6.4647 6.7888 6.7888 6.9635 6.9635 7.2482 7.2482 k = 0.0147 0.0133-0.0075 ( 12860 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2408 -11.2408 -10.7395 -10.7395 -10.6654 -10.6654 -10.5755 -10.5755 -10.4656 -10.4656 -10.2017 -10.2017 -9.7490 -9.7490 -7.5361 -7.5361 -7.4937 -7.4937 -5.0927 -5.0927 -1.5790 -1.5790 -1.3004 -1.3004 -0.3727 -0.3727 -0.2491 -0.2491 -0.1939 -0.1939 0.0041 0.0041 0.1549 0.1549 0.2929 0.2929 0.4699 0.4699 0.6003 0.6003 0.6551 0.6551 0.7793 0.7793 0.9815 0.9815 1.3356 1.3356 1.4122 1.4122 1.5677 1.5677 1.7014 1.7014 1.7303 1.7303 1.8874 1.8874 1.8939 1.8939 2.1501 2.1501 2.1840 2.1840 2.3608 2.3608 2.4346 2.4346 2.9228 2.9228 4.3820 4.3820 5.3395 5.3395 5.9135 5.9135 6.2500 6.2500 6.4644 6.4644 6.7881 6.7881 6.9623 6.9623 7.2484 7.2484 k = 0.0000 0.0000 0.0000 ( 12869 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2411 -11.2411 -10.7395 -10.7395 -10.6653 -10.6653 -10.5754 -10.5754 -10.4656 -10.4656 -10.2014 -10.2014 -9.7490 -9.7490 -7.5360 -7.5360 -7.4937 -7.4937 -5.0928 -5.0928 -1.5791 -1.5791 -1.3011 -1.3011 -0.3691 -0.3691 -0.2494 -0.2494 -0.1965 -0.1965 0.0059 0.0059 0.1539 0.1539 0.2903 0.2903 0.4712 0.4712 0.6156 0.6156 0.6377 0.6377 0.7790 0.7790 0.9810 0.9810 1.3363 1.3363 1.4142 1.4142 1.5691 1.5691 1.7053 1.7053 1.7252 1.7252 1.8896 1.8896 1.8914 1.8914 2.1505 2.1505 2.1851 2.1851 2.3623 2.3623 2.4320 2.4320 2.9230 2.9230 4.3817 4.3817 5.3398 5.3398 5.9139 5.9139 6.2498 6.2498 6.4643 6.4643 6.7879 6.7879 6.9619 6.9619 7.2485 7.2485 k = 0.0000 0.0000 0.0000 ( 12869 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2411 -11.2411 -10.7395 -10.7395 -10.6653 -10.6653 -10.5754 -10.5754 -10.4656 -10.4656 -10.2014 -10.2014 -9.7490 -9.7490 -7.5360 -7.5360 -7.4937 -7.4937 -5.0928 -5.0928 -1.5791 -1.5791 -1.3011 -1.3011 -0.3691 -0.3691 -0.2494 -0.2494 -0.1965 -0.1965 0.0059 0.0059 0.1539 0.1539 0.2903 0.2903 0.4712 0.4712 0.6156 0.6156 0.6377 0.6377 0.7790 0.7790 0.9810 0.9810 1.3363 1.3363 1.4142 1.4142 1.5691 1.5691 1.7053 1.7053 1.7252 1.7252 1.8896 1.8896 1.8914 1.8914 2.1505 2.1505 2.1851 2.1851 2.3623 2.3623 2.4320 2.4320 2.9230 2.9230 4.3817 4.3817 5.3398 5.3398 5.9139 5.9139 6.2498 6.2498 6.4643 6.4643 6.7879 6.7879 6.9619 6.9619 7.2485 7.2485 k = 0.0000 0.0000 0.0209 ( 12866 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2408 -11.2408 -10.7395 -10.7395 -10.6655 -10.6655 -10.5758 -10.5758 -10.4656 -10.4656 -10.2014 -10.2014 -9.7488 -9.7488 -7.5361 -7.5361 -7.4938 -7.4938 -5.0922 -5.0922 -1.5781 -1.5781 -1.3000 -1.3000 -0.3700 -0.3700 -0.2506 -0.2506 -0.1946 -0.1946 0.0025 0.0025 0.1573 0.1573 0.2904 0.2904 0.4668 0.4668 0.6008 0.6008 0.6520 0.6520 0.7785 0.7785 0.9821 0.9821 1.3363 1.3363 1.4136 1.4136 1.5674 1.5674 1.7039 1.7039 1.7260 1.7260 1.8758 1.8758 1.9063 1.9063 2.1519 2.1519 2.1847 2.1847 2.3622 2.3622 2.4342 2.4342 2.9232 2.9232 4.3826 4.3826 5.3382 5.3382 5.9111 5.9111 6.2516 6.2516 6.4664 6.4664 6.7884 6.7884 6.9623 6.9623 7.2483 7.2483 k = 0.0000 0.0000 0.0418 ( 12868 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2398 -11.2398 -10.7395 -10.7395 -10.6660 -10.6660 -10.5768 -10.5768 -10.4657 -10.4657 -10.2014 -10.2014 -9.7483 -9.7483 -7.5362 -7.5362 -7.4943 -7.4943 -5.0904 -5.0904 -1.5750 -1.5750 -1.2969 -1.2969 -0.3726 -0.3726 -0.2538 -0.2538 -0.1892 -0.1892 -0.0069 -0.0069 0.1665 0.1665 0.2906 0.2906 0.4542 0.4542 0.5777 0.5777 0.6729 0.6729 0.7773 0.7773 0.9851 0.9851 1.3357 1.3357 1.4121 1.4121 1.5632 1.5632 1.6995 1.6995 1.7283 1.7283 1.8621 1.8621 1.9235 1.9235 2.1557 2.1557 2.1840 2.1840 2.3618 2.3618 2.4406 2.4406 2.9239 2.9239 4.3853 4.3853 5.3334 5.3334 5.9029 5.9029 6.2571 6.2571 6.4726 6.4726 6.7898 6.7898 6.9636 6.9636 7.2477 7.2477 k = 0.0000 0.0000 0.0627 ( 12871 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2382 -11.2382 -10.7396 -10.7396 -10.6669 -10.6669 -10.5784 -10.5784 -10.4657 -10.4657 -10.2014 -10.2014 -9.7475 -9.7475 -7.5364 -7.5364 -7.4951 -7.4951 -5.0875 -5.0875 -1.5700 -1.5700 -1.2916 -1.2916 -0.3770 -0.3770 -0.2582 -0.2582 -0.1815 -0.1815 -0.0201 -0.0201 0.1794 0.1794 0.2910 0.2910 0.4355 0.4355 0.5525 0.5525 0.6928 0.6928 0.7757 0.7757 0.9898 0.9898 1.3335 1.3335 1.4096 1.4096 1.5591 1.5591 1.6918 1.6918 1.7308 1.7308 1.8497 1.8497 1.9423 1.9423 2.1603 2.1603 2.1840 2.1840 2.3613 2.3613 2.4509 2.4509 2.9248 2.9248 4.3896 4.3896 5.3255 5.3255 5.8897 5.8897 6.2661 6.2661 6.4827 6.4827 6.7921 6.7921 6.9658 6.9658 7.2467 7.2467 k = 0.0000 0.0000 0.0836 ( 12874 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2360 -11.2360 -10.7396 -10.7396 -10.6683 -10.6683 -10.5805 -10.5805 -10.4657 -10.4657 -10.2014 -10.2014 -9.7465 -9.7465 -7.5367 -7.5367 -7.4961 -7.4961 -5.0835 -5.0835 -1.5630 -1.5630 -1.2843 -1.2843 -0.3831 -0.3831 -0.2630 -0.2630 -0.1722 -0.1722 -0.0352 -0.0352 0.1941 0.1941 0.2916 0.2916 0.4127 0.4127 0.5253 0.5253 0.7097 0.7097 0.7741 0.7741 0.9957 0.9957 1.3286 1.3286 1.4058 1.4058 1.5579 1.5579 1.6815 1.6815 1.7314 1.7314 1.8402 1.8402 1.9618 1.9618 2.1632 2.1632 2.1872 2.1872 2.3608 2.3608 2.4647 2.4647 2.9259 2.9259 4.3956 4.3956 5.3147 5.3147 5.8722 5.8722 6.2783 6.2783 6.4961 6.4961 6.7951 6.7951 6.9689 6.9689 7.2453 7.2453 k = 0.0000 0.0000 0.1045 ( 12879 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2332 -11.2332 -10.7397 -10.7397 -10.6700 -10.6700 -10.5831 -10.5831 -10.4658 -10.4658 -10.2015 -10.2015 -9.7451 -9.7451 -7.5370 -7.5370 -7.4974 -7.4974 -5.0785 -5.0785 -1.5541 -1.5541 -1.2749 -1.2749 -0.3910 -0.3910 -0.2680 -0.2680 -0.1622 -0.1622 -0.0507 -0.0507 0.2088 0.2088 0.2921 0.2921 0.3876 0.3876 0.4969 0.4969 0.7216 0.7216 0.7740 0.7740 1.0024 1.0024 1.3207 1.3207 1.4002 1.4002 1.5614 1.5614 1.6695 1.6695 1.7280 1.7280 1.8353 1.8353 1.9809 1.9809 2.1635 2.1635 2.1945 2.1945 2.3603 2.3603 2.4814 2.4814 2.9270 2.9270 4.4032 4.4032 5.3011 5.3011 5.8511 5.8511 6.2934 6.2934 6.5124 6.5124 6.7987 6.7987 6.9728 6.9728 7.2435 7.2435 k = 0.0000 0.0000 0.1254 ( 12871 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2299 -11.2299 -10.7398 -10.7398 -10.6723 -10.6723 -10.5861 -10.5861 -10.4658 -10.4658 -10.2015 -10.2015 -9.7436 -9.7436 -7.5374 -7.5374 -7.4990 -7.4990 -5.0725 -5.0725 -1.5435 -1.5435 -1.2635 -1.2635 -0.4008 -0.4008 -0.2731 -0.2731 -0.1523 -0.1523 -0.0651 -0.0651 0.2216 0.2216 0.2925 0.2925 0.3618 0.3618 0.4684 0.4684 0.7254 0.7254 0.7775 0.7775 1.0093 1.0093 1.3099 1.3099 1.3929 1.3929 1.5694 1.5694 1.6568 1.6568 1.7210 1.7210 1.8354 1.8354 1.9980 1.9980 2.1632 2.1632 2.2041 2.2041 2.3601 2.3601 2.5007 2.5007 2.9279 2.9279 4.4120 4.4120 5.2851 5.2851 5.8273 5.8273 6.3112 6.3112 6.5309 6.5309 6.8027 6.8027 6.9775 6.9775 7.2413 7.2413 k = 0.0000 0.0000 0.1463 ( 12867 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2261 -11.2261 -10.7399 -10.7399 -10.6750 -10.6750 -10.5892 -10.5892 -10.4659 -10.4659 -10.2015 -10.2015 -9.7418 -9.7418 -7.5379 -7.5379 -7.5006 -7.5006 -5.0658 -5.0658 -1.5312 -1.5312 -1.2502 -1.2502 -0.4126 -0.4126 -0.2782 -0.2782 -0.1438 -0.1438 -0.0763 -0.0763 0.2301 0.2301 0.2922 0.2922 0.3379 0.3379 0.4415 0.4415 0.7204 0.7204 0.7854 0.7854 1.0153 1.0153 1.2969 1.2969 1.3848 1.3848 1.5784 1.5784 1.6457 1.6457 1.7128 1.7128 1.8396 1.8396 2.0116 2.0116 2.1643 2.1643 2.2149 2.2149 2.3601 2.3601 2.5219 2.5219 2.9284 2.9284 4.4220 4.4220 5.2670 5.2670 5.8015 5.8015 6.3312 6.3312 6.5511 6.5511 6.8068 6.8068 6.9830 6.9830 7.2387 7.2387 k = 0.0000 0.0000 0.1672 ( 12865 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2218 -11.2218 -10.7400 -10.7400 -10.6783 -10.6783 -10.5924 -10.5924 -10.4660 -10.4660 -10.2015 -10.2015 -9.7399 -9.7399 -7.5385 -7.5385 -7.5025 -7.5025 -5.0584 -5.0584 -1.5175 -1.5175 -1.2350 -1.2350 -0.4265 -0.4265 -0.2834 -0.2834 -0.1392 -0.1392 -0.0819 -0.0819 0.2298 0.2298 0.2896 0.2896 0.3203 0.3203 0.4183 0.4183 0.7089 0.7089 0.7960 0.7960 1.0190 1.0190 1.2826 1.2826 1.3769 1.3769 1.5809 1.5809 1.6409 1.6409 1.7074 1.7074 1.8460 1.8460 2.0205 2.0205 2.1678 2.1678 2.2261 2.2261 2.3604 2.3604 2.5445 2.5445 2.9284 2.9284 4.4330 4.4330 5.2471 5.2471 5.7744 5.7744 6.3533 6.3533 6.5722 6.5722 6.8110 6.8110 6.9893 6.9893 7.2357 7.2357 k = 0.0000 0.0000 0.1881 ( 12867 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2172 -11.2172 -10.7402 -10.7402 -10.6822 -10.6822 -10.5956 -10.5956 -10.4662 -10.4662 -10.2014 -10.2014 -9.7379 -9.7379 -7.5392 -7.5392 -7.5044 -7.5044 -5.0505 -5.0505 -1.5026 -1.5026 -1.2181 -1.2181 -0.4425 -0.4425 -0.2887 -0.2887 -0.1400 -0.1400 -0.0799 -0.0799 0.2166 0.2166 0.2829 0.2829 0.3137 0.3137 0.4012 0.4012 0.6931 0.6931 0.8075 0.8075 1.0191 1.0191 1.2677 1.2677 1.3700 1.3700 1.5716 1.5716 1.6450 1.6450 1.7089 1.7089 1.8535 1.8535 2.0245 2.0245 2.1736 2.1736 2.2375 2.2375 2.3609 2.3609 2.5682 2.5682 2.9278 2.9278 4.4446 4.4446 5.2258 5.2258 5.7467 5.7467 6.3770 6.3770 6.5936 6.5936 6.8150 6.8150 6.9964 6.9964 7.2324 7.2324 k = 0.0000 0.0000 0.2091 ( 12864 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2122 -11.2122 -10.7405 -10.7405 -10.6865 -10.6865 -10.5986 -10.5986 -10.4663 -10.4663 -10.2014 -10.2014 -9.7358 -9.7358 -7.5399 -7.5399 -7.5063 -7.5063 -5.0422 -5.0422 -1.4865 -1.4865 -1.1994 -1.1994 -0.4607 -0.4607 -0.2941 -0.2941 -0.1443 -0.1443 -0.0720 -0.0720 0.1922 0.1922 0.2731 0.2731 0.3142 0.3142 0.3915 0.3915 0.6746 0.6746 0.8193 0.8193 1.0152 1.0152 1.2527 1.2527 1.3639 1.3639 1.5549 1.5549 1.6522 1.6522 1.7192 1.7192 1.8613 1.8613 2.0245 2.0245 2.1805 2.1805 2.2490 2.2490 2.3618 2.3618 2.5925 2.5925 2.9267 2.9267 4.4567 4.4567 5.2036 5.2036 5.7191 5.7191 6.4019 6.4019 6.6147 6.6147 6.8187 6.8187 7.0043 7.0043 7.2289 7.2289 k = 0.0000 0.0000 0.2300 ( 12857 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2070 -11.2070 -10.7407 -10.7407 -10.6914 -10.6914 -10.6013 -10.6013 -10.4664 -10.4664 -10.2014 -10.2014 -9.7337 -9.7337 -7.5407 -7.5407 -7.5082 -7.5082 -5.0338 -5.0338 -1.4697 -1.4697 -1.1791 -1.1791 -0.4812 -0.4812 -0.2997 -0.2997 -0.1492 -0.1492 -0.0613 -0.0613 0.1622 0.1622 0.2608 0.2608 0.3168 0.3168 0.3888 0.3888 0.6548 0.6548 0.8306 0.8306 1.0074 1.0074 1.2381 1.2381 1.3582 1.3582 1.5355 1.5355 1.6601 1.6601 1.7363 1.7363 1.8693 1.8693 2.0218 2.0218 2.1872 2.1872 2.2605 2.2605 2.3628 2.3628 2.6169 2.6169 2.9250 2.9250 4.4689 4.4689 5.1808 5.1808 5.6921 5.6921 6.4278 6.4278 6.6348 6.6348 6.8219 6.8219 7.0130 7.0130 7.2251 7.2251 k = 0.0000 0.0000 0.2509 ( 12852 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0848 -25.0848 -25.0581 -25.0581 -11.2016 -11.2016 -10.7411 -10.7411 -10.6965 -10.6965 -10.6037 -10.6037 -10.4666 -10.4666 -10.2014 -10.2014 -9.7316 -9.7316 -7.5415 -7.5415 -7.5101 -7.5101 -5.0253 -5.0253 -1.4524 -1.4524 -1.1573 -1.1573 -0.5038 -0.5038 -0.3052 -0.3052 -0.1532 -0.1532 -0.0498 -0.0498 0.1303 0.1303 0.2467 0.2467 0.3200 0.3200 0.3909 0.3909 0.6349 0.6349 0.8408 0.8408 0.9967 0.9967 1.2240 1.2240 1.3521 1.3521 1.5161 1.5161 1.6694 1.6694 1.7568 1.7568 1.8777 1.8777 2.0177 2.0177 2.1924 2.1924 2.2718 2.2718 2.3639 2.3639 2.6411 2.6411 2.9229 2.9229 4.4810 4.4810 5.1579 5.1579 5.6662 5.6662 6.4543 6.4543 6.6533 6.6533 6.8246 6.8246 7.0224 7.0224 7.2211 7.2211 k = 0.0000 0.0000 0.2718 ( 12853 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0848 -25.0848 -25.0581 -25.0581 -11.1962 -11.1962 -10.7416 -10.7416 -10.7018 -10.7018 -10.6059 -10.6059 -10.4667 -10.4667 -10.2013 -10.2013 -9.7296 -9.7296 -7.5424 -7.5424 -7.5119 -7.5119 -5.0170 -5.0170 -1.4349 -1.4349 -1.1341 -1.1341 -0.5284 -0.5284 -0.3108 -0.3108 -0.1556 -0.1556 -0.0389 -0.0389 0.0987 0.0987 0.2320 0.2320 0.3231 0.3231 0.3951 0.3951 0.6161 0.6161 0.8486 0.8486 0.9850 0.9850 1.2105 1.2105 1.3449 1.3449 1.4980 1.4980 1.6803 1.6803 1.7778 1.7778 1.8872 1.8872 2.0132 2.0132 2.1955 2.1955 2.2825 2.2825 2.3649 2.3649 2.6646 2.6646 2.9204 2.9204 4.4928 4.4928 5.1353 5.1353 5.6417 5.6417 6.4809 6.4809 6.6699 6.6699 6.8266 6.8266 7.0325 7.0325 7.2171 7.2171 k = 0.0000 0.0000 0.2927 ( 12851 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0848 -25.0848 -25.0581 -25.0581 -11.1909 -11.1909 -10.7422 -10.7422 -10.7071 -10.7071 -10.6077 -10.6077 -10.4669 -10.4669 -10.2013 -10.2013 -9.7277 -9.7277 -7.5432 -7.5432 -7.5135 -7.5135 -5.0090 -5.0090 -1.4175 -1.4175 -1.1099 -1.1099 -0.5545 -0.5545 -0.3161 -0.3161 -0.1563 -0.1563 -0.0299 -0.0299 0.0698 0.0698 0.2176 0.2176 0.3263 0.3263 0.3995 0.3995 0.5996 0.5996 0.8524 0.8524 0.9747 0.9747 1.1976 1.1976 1.3368 1.3368 1.4819 1.4819 1.6919 1.6919 1.7981 1.7981 1.8984 1.8984 2.0090 2.0090 2.1961 2.1961 2.2926 2.2926 2.3657 2.3657 2.6871 2.6871 2.9178 2.9178 4.5040 4.5040 5.1137 5.1137 5.6191 5.6191 6.5074 6.5074 6.6843 6.6843 6.8277 6.8277 7.0429 7.0429 7.2131 7.2131 k = 0.0000 0.0000 0.3136 ( 12856 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0848 -25.0848 -25.0581 -25.0581 -11.1858 -11.1858 -10.7430 -10.7430 -10.7122 -10.7122 -10.6092 -10.6092 -10.4671 -10.4671 -10.2012 -10.2012 -9.7259 -9.7259 -7.5441 -7.5441 -7.5149 -7.5149 -5.0016 -5.0016 -1.4008 -1.4008 -1.0847 -1.0847 -0.5819 -0.5819 -0.3211 -0.3211 -0.1557 -0.1557 -0.0254 -0.0254 0.0466 0.0466 0.2038 0.2038 0.3294 0.3294 0.4026 0.4026 0.5867 0.5867 0.8505 0.8505 0.9677 0.9677 1.1857 1.1857 1.3281 1.3281 1.4678 1.4678 1.7025 1.7025 1.8173 1.8173 1.9118 1.9118 2.0055 2.0055 2.1940 2.1940 2.3018 2.3018 2.3660 2.3660 2.7079 2.7079 2.9152 2.9152 4.5143 4.5143 5.0933 5.0933 5.5985 5.5985 6.5332 6.5332 6.6963 6.6963 6.8280 6.8280 7.0534 7.0534 7.2092 7.2092 k = 0.0000 0.0000 0.3345 ( 12857 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0848 -25.0848 -25.0581 -25.0581 -11.1810 -11.1810 -10.7440 -10.7440 -10.7168 -10.7168 -10.6105 -10.6105 -10.4672 -10.4672 -10.2012 -10.2012 -9.7243 -9.7243 -7.5450 -7.5450 -7.5162 -7.5162 -4.9947 -4.9947 -1.3850 -1.3850 -1.0589 -1.0589 -0.6100 -0.6100 -0.3257 -0.3257 -0.1541 -0.1541 -0.0296 -0.0296 0.0338 0.0338 0.1910 0.1910 0.3324 0.3324 0.4037 0.4037 0.5781 0.5781 0.8426 0.8426 0.9651 0.9651 1.1748 1.1748 1.3197 1.3197 1.4556 1.4556 1.7109 1.7109 1.8357 1.8357 1.9270 1.9270 2.0034 2.0034 2.1892 2.1892 2.3102 2.3102 2.3658 2.3658 2.7269 2.7269 2.9127 2.9127 4.5236 4.5236 5.0747 5.0747 5.5803 5.5803 6.5579 6.5579 6.7059 6.7059 6.8273 6.8273 7.0635 7.0635 7.2057 7.2057 k = 0.0000 0.0000 0.3554 ( 12853 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0848 -25.0848 -25.0581 -25.0581 -11.1766 -11.1766 -10.7452 -10.7452 -10.7207 -10.7207 -10.6115 -10.6115 -10.4673 -10.4673 -10.2011 -10.2011 -9.7229 -9.7229 -7.5457 -7.5457 -7.5173 -7.5173 -4.9887 -4.9887 -1.3707 -1.3707 -1.0329 -1.0329 -0.6382 -0.6382 -0.3298 -0.3298 -0.1518 -0.1518 -0.0425 -0.0425 0.0319 0.0319 0.1793 0.1793 0.3353 0.3353 0.4025 0.4025 0.5743 0.5743 0.8301 0.8301 0.9659 0.9659 1.1654 1.1654 1.3124 1.3124 1.4451 1.4451 1.7163 1.7163 1.8533 1.8533 1.9427 1.9427 2.0033 2.0033 2.1817 2.1817 2.3177 2.3177 2.3648 2.3648 2.7435 2.7435 2.9106 2.9106 4.5318 4.5318 5.0582 5.0582 5.5646 5.5646 6.5810 6.5810 6.7131 6.7131 6.8258 6.8258 7.0730 7.0730 7.2025 7.2025 k = 0.0000 0.0000 0.3763 ( 12850 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0848 -25.0848 -25.0581 -25.0581 -11.1729 -11.1729 -10.7466 -10.7466 -10.7237 -10.7237 -10.6122 -10.6122 -10.4674 -10.4674 -10.2011 -10.2011 -9.7217 -9.7217 -7.5464 -7.5464 -7.5182 -7.5182 -4.9836 -4.9836 -1.3583 -1.3583 -1.0075 -1.0075 -0.6656 -0.6656 -0.3333 -0.3333 -0.1493 -0.1493 -0.0579 -0.0579 0.0351 0.0351 0.1689 0.1689 0.3381 0.3381 0.3993 0.3993 0.5748 0.5748 0.8153 0.8153 0.9683 0.9683 1.1576 1.1576 1.3066 1.3066 1.4362 1.4362 1.7190 1.7190 1.8693 1.8693 1.9567 1.9567 2.0069 2.0069 2.1720 2.1720 2.3245 2.3245 2.3630 2.3630 2.7575 2.7575 2.9088 2.9088 4.5386 4.5386 5.0442 5.0442 5.5516 5.5516 6.6019 6.6019 6.7182 6.7182 6.8237 6.8237 7.0813 7.0813 7.1999 7.1999 k = 0.0000 0.0000 0.3972 ( 12848 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0848 -25.0848 -25.0581 -25.0581 -11.1698 -11.1698 -10.7481 -10.7481 -10.7259 -10.7259 -10.6128 -10.6128 -10.4675 -10.4675 -10.2011 -10.2011 -9.7208 -9.7208 -7.5470 -7.5470 -7.5189 -7.5189 -4.9795 -4.9795 -1.3481 -1.3481 -0.9837 -0.9837 -0.6911 -0.6911 -0.3361 -0.3361 -0.1472 -0.1472 -0.0715 -0.0715 0.0396 0.0396 0.1600 0.1600 0.3407 0.3407 0.3950 0.3950 0.5782 0.5782 0.8005 0.8005 0.9710 0.9710 1.1514 1.1514 1.3026 1.3026 1.4288 1.4288 1.7200 1.7200 1.8829 1.8829 1.9660 1.9660 2.0160 2.0160 2.1603 2.1603 2.3306 2.3306 2.3606 2.3606 2.7686 2.7686 2.9075 2.9075 4.5439 4.5439 5.0330 5.0330 5.5413 5.5413 6.6199 6.6199 6.7214 6.7214 6.8213 6.8213 7.0880 7.0880 7.1978 7.1978 k = 0.0000 0.0000 0.4181 ( 12840 PWs) bands (ev): -58.4926 -58.4926 -32.7838 -32.7838 -25.0848 -25.0848 -25.0581 -25.0581 -11.1675 -11.1675 -10.7494 -10.7494 -10.7274 -10.7274 -10.6132 -10.6132 -10.4676 -10.4676 -10.2010 -10.2010 -9.7201 -9.7201 -7.5474 -7.5474 -7.5194 -7.5194 -4.9765 -4.9765 -1.3405 -1.3405 -0.9633 -0.9633 -0.7129 -0.7129 -0.3382 -0.3382 -0.1458 -0.1458 -0.0816 -0.0816 0.0436 0.0436 0.1531 0.1531 0.3432 0.3432 0.3906 0.3906 0.5829 0.5829 0.7878 0.7878 0.9731 0.9731 1.1470 1.1470 1.3002 1.3002 1.4232 1.4232 1.7199 1.7199 1.8933 1.8933 1.9704 1.9704 2.0293 2.0293 2.1479 2.1479 2.3360 2.3360 2.3576 2.3576 2.7766 2.7766 2.9066 2.9066 4.5478 4.5478 5.0249 5.0249 5.5339 5.5339 6.6340 6.6340 6.7230 6.7230 6.8190 6.8190 7.0930 7.0930 7.1964 7.1964 k = 0.0000 0.0000 0.4390 ( 12837 PWs) bands (ev): -58.4926 -58.4926 -32.7838 -32.7838 -25.0848 -25.0848 -25.0581 -25.0581 -11.1661 -11.1661 -10.7503 -10.7503 -10.7282 -10.7282 -10.6134 -10.6134 -10.4676 -10.4676 -10.2010 -10.2010 -9.7197 -9.7197 -7.5477 -7.5477 -7.5197 -7.5197 -4.9747 -4.9747 -1.3358 -1.3358 -0.9489 -0.9489 -0.7280 -0.7280 -0.3395 -0.3395 -0.1451 -0.1451 -0.0876 -0.0876 0.0463 0.0463 0.1487 0.1487 0.3450 0.3450 0.3874 0.3874 0.5867 0.5867 0.7791 0.7791 0.9745 0.9745 1.1444 1.1444 1.2990 1.2990 1.4196 1.4196 1.7196 1.7196 1.8997 1.8997 1.9720 1.9720 2.0418 2.0418 2.1373 2.1373 2.3404 2.3404 2.3546 2.3546 2.7814 2.7814 2.9061 2.9061 4.5502 4.5502 5.0199 5.0199 5.5295 5.5295 6.6432 6.6432 6.7235 6.7235 6.8174 6.8174 7.0960 7.0960 7.1955 7.1955 k = 0.0000 0.0000 0.4599 ( 12840 PWs) bands (ev): -58.4926 -58.4926 -32.7838 -32.7838 -25.0848 -25.0848 -25.0581 -25.0581 -11.1656 -11.1656 -10.7506 -10.7506 -10.7285 -10.7285 -10.6135 -10.6135 -10.4676 -10.4676 -10.2010 -10.2010 -9.7196 -9.7196 -7.5478 -7.5478 -7.5197 -7.5197 -4.9740 -4.9740 -1.3342 -1.3342 -0.9436 -0.9436 -0.7336 -0.7336 -0.3400 -0.3400 -0.1449 -0.1449 -0.0895 -0.0895 0.0473 0.0473 0.1471 0.1471 0.3457 0.3457 0.3862 0.3862 0.5882 0.5882 0.7760 0.7760 0.9750 0.9750 1.1435 1.1435 1.2987 1.2987 1.4184 1.4184 1.7195 1.7195 1.9019 1.9019 1.9724 1.9724 2.0471 2.0471 2.1327 2.1327 2.3425 2.3425 2.3530 2.3530 2.7831 2.7831 2.9059 2.9059 4.5510 4.5510 5.0183 5.0183 5.5280 5.5280 6.6464 6.6464 6.7236 6.7236 6.8168 6.8168 7.0971 7.0971 7.1952 7.1952 k = 0.5000-0.0460 0.3405 ( 12868 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0848 -25.0848 -25.0582 -25.0582 -11.1214 -11.1214 -10.7947 -10.7947 -10.6931 -10.6931 -10.5891 -10.5891 -10.4192 -10.4192 -10.2919 -10.2919 -9.7556 -9.7556 -7.5642 -7.5642 -7.5237 -7.5237 -4.9383 -4.9383 -1.5529 -1.5529 -0.9893 -0.9893 -0.6516 -0.6516 -0.3558 -0.3558 -0.2730 -0.2730 0.0060 0.0060 0.1073 0.1073 0.2617 0.2617 0.4863 0.4863 0.5435 0.5435 0.6165 0.6165 0.8151 0.8151 0.8622 0.8622 1.1709 1.1709 1.3175 1.3175 1.6233 1.6233 1.7026 1.7026 1.9350 1.9350 1.9701 1.9701 1.9948 1.9948 2.0598 2.0598 2.3329 2.3329 2.3391 2.3391 2.7293 2.7293 2.9563 2.9563 4.2938 4.2938 5.1553 5.1553 5.6683 5.6683 6.4475 6.4475 6.6924 6.6924 6.8514 6.8514 7.0266 7.0266 7.1858 7.1858 k = 0.4828-0.0444 0.3287 ( 12871 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0848 -25.0848 -25.0582 -25.0582 -11.1217 -11.1217 -10.7947 -10.7947 -10.6931 -10.6931 -10.5891 -10.5891 -10.4194 -10.4194 -10.2916 -10.2916 -9.7553 -9.7553 -7.5643 -7.5643 -7.5236 -7.5236 -4.9387 -4.9387 -1.5522 -1.5522 -0.9880 -0.9880 -0.6546 -0.6546 -0.3536 -0.3536 -0.2721 -0.2721 0.0048 0.0048 0.1077 0.1077 0.2645 0.2645 0.4810 0.4810 0.5391 0.5391 0.6210 0.6210 0.8139 0.8139 0.8533 0.8533 1.1795 1.1795 1.3255 1.3255 1.6218 1.6218 1.7001 1.7001 1.9346 1.9346 1.9681 1.9681 1.9978 1.9978 2.0596 2.0596 2.3290 2.3290 2.3423 2.3423 2.7300 2.7300 2.9549 2.9549 4.2944 4.2944 5.1546 5.1546 5.6669 5.6669 6.4481 6.4481 6.6930 6.6930 6.8511 6.8511 7.0259 7.0259 7.1861 7.1861 k = 0.4655-0.0429 0.3170 ( 12874 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0848 -25.0848 -25.0582 -25.0582 -11.1226 -11.1226 -10.7945 -10.7945 -10.6930 -10.6930 -10.5891 -10.5891 -10.4201 -10.4201 -10.2906 -10.2906 -9.7545 -9.7545 -7.5644 -7.5644 -7.5235 -7.5235 -4.9400 -4.9400 -1.5503 -1.5503 -0.9842 -0.9842 -0.6631 -0.6631 -0.3476 -0.3476 -0.2691 -0.2691 0.0010 0.0010 0.1096 0.1096 0.2716 0.2716 0.4665 0.4665 0.5283 0.5283 0.6300 0.6300 0.8048 0.8048 0.8401 0.8401 1.1966 1.1966 1.3516 1.3516 1.6173 1.6173 1.6935 1.6935 1.9333 1.9333 1.9639 1.9639 2.0047 2.0047 2.0590 2.0590 2.3222 2.3222 2.3470 2.3470 2.7319 2.7319 2.9507 2.9507 4.2960 4.2960 5.1525 5.1525 5.6628 5.6628 6.4497 6.4497 6.6947 6.6947 6.8502 6.8502 7.0238 7.0238 7.1871 7.1871 k = 0.4483-0.0413 0.3052 ( 12876 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1240 -11.1240 -10.7942 -10.7942 -10.6929 -10.6929 -10.5891 -10.5891 -10.4212 -10.4212 -10.2890 -10.2890 -9.7531 -9.7531 -7.5647 -7.5647 -7.5232 -7.5232 -4.9422 -4.9422 -1.5472 -1.5472 -0.9780 -0.9780 -0.6758 -0.6758 -0.3396 -0.3396 -0.2637 -0.2637 -0.0055 -0.0055 0.1144 0.1144 0.2800 0.2800 0.4461 0.4461 0.5127 0.5127 0.6367 0.6367 0.7860 0.7860 0.8396 0.8396 1.2094 1.2094 1.3959 1.3959 1.6098 1.6098 1.6842 1.6842 1.9307 1.9307 1.9593 1.9593 2.0128 2.0128 2.0586 2.0586 2.3141 2.3141 2.3516 2.3516 2.7352 2.7352 2.9438 2.9438 4.2987 4.2987 5.1491 5.1491 5.6564 5.6564 6.4523 6.4523 6.6974 6.6974 6.8486 6.8486 7.0202 7.0202 7.1888 7.1888 k = 0.4310-0.0397 0.2935 ( 12871 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1261 -11.1261 -10.7937 -10.7937 -10.6927 -10.6927 -10.5890 -10.5890 -10.4226 -10.4226 -10.2869 -10.2869 -9.7513 -9.7513 -7.5650 -7.5650 -7.5229 -7.5229 -4.9452 -4.9452 -1.5431 -1.5431 -0.9694 -0.9694 -0.6913 -0.6913 -0.3317 -0.3317 -0.2556 -0.2556 -0.0140 -0.0140 0.1226 0.1226 0.2848 0.2848 0.4243 0.4243 0.4928 0.4928 0.6381 0.6381 0.7734 0.7734 0.8465 0.8465 1.2153 1.2153 1.4502 1.4502 1.6006 1.6006 1.6742 1.6742 1.9269 1.9269 1.9552 1.9552 2.0200 2.0200 2.0592 2.0592 2.3049 2.3049 2.3559 2.3559 2.7398 2.7398 2.9346 2.9346 4.3022 4.3022 5.1444 5.1444 5.6484 5.6484 6.4557 6.4557 6.7011 6.7011 6.8462 6.8462 7.0155 7.0155 7.1912 7.1912 k = 0.4138-0.0381 0.2818 ( 12869 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1287 -11.1287 -10.7929 -10.7929 -10.6925 -10.6925 -10.5889 -10.5889 -10.4244 -10.4244 -10.2843 -10.2843 -9.7491 -9.7491 -7.5654 -7.5654 -7.5224 -7.5224 -4.9490 -4.9490 -1.5383 -1.5383 -0.9588 -0.9588 -0.7083 -0.7083 -0.3254 -0.3254 -0.2448 -0.2448 -0.0238 -0.0238 0.1334 0.1334 0.2798 0.2798 0.4043 0.4043 0.4730 0.4730 0.6363 0.6363 0.7716 0.7716 0.8571 0.8571 1.2166 1.2166 1.4983 1.4983 1.5977 1.5977 1.6658 1.6658 1.9217 1.9217 1.9520 1.9520 2.0246 2.0246 2.0617 2.0617 2.2948 2.2948 2.3595 2.3595 2.7457 2.7457 2.9231 2.9231 4.3062 4.3062 5.1385 5.1385 5.6393 5.6393 6.4595 6.4595 6.7056 6.7056 6.8426 6.8426 7.0096 7.0096 7.1943 7.1943 k = 0.3966-0.0365 0.2700 ( 12871 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1320 -11.1320 -10.7919 -10.7919 -10.6922 -10.6922 -10.5888 -10.5888 -10.4265 -10.4265 -10.2812 -10.2812 -9.7466 -9.7466 -7.5657 -7.5657 -7.5218 -7.5218 -4.9535 -4.9535 -1.5329 -1.5329 -0.9466 -0.9466 -0.7254 -0.7254 -0.3212 -0.3212 -0.2322 -0.2322 -0.0335 -0.0335 0.1441 0.1441 0.2628 0.2628 0.3839 0.3839 0.4632 0.4632 0.6347 0.6347 0.7771 0.7771 0.8698 0.8698 1.2155 1.2155 1.5134 1.5134 1.6158 1.6158 1.6663 1.6663 1.9148 1.9148 1.9509 1.9509 2.0261 2.0261 2.0659 2.0659 2.2839 2.2839 2.3623 2.3623 2.7530 2.7530 2.9098 2.9098 4.3105 4.3105 5.1317 5.1317 5.6302 5.6302 6.4636 6.4636 6.7106 6.7106 6.8377 6.8377 7.0030 7.0030 7.1981 7.1981 k = 0.3793-0.0349 0.2583 ( 12881 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1358 -11.1358 -10.7906 -10.7906 -10.6919 -10.6919 -10.5887 -10.5887 -10.4287 -10.4287 -10.2778 -10.2778 -9.7439 -9.7439 -7.5661 -7.5661 -7.5210 -7.5210 -4.9588 -4.9588 -1.5272 -1.5272 -0.9342 -0.9342 -0.7410 -0.7410 -0.3190 -0.3190 -0.2190 -0.2190 -0.0422 -0.0422 0.1476 0.1476 0.2425 0.2425 0.3610 0.3610 0.4676 0.4676 0.6348 0.6348 0.7866 0.7866 0.8837 0.8837 1.2133 1.2133 1.4993 1.4993 1.6240 1.6240 1.7000 1.7000 1.9059 1.9059 1.9533 1.9533 2.0253 2.0253 2.0706 2.0706 2.2725 2.2725 2.3638 2.3638 2.7617 2.7617 2.8948 2.8948 4.3147 4.3147 5.1245 5.1245 5.6216 5.6216 6.4675 6.4675 6.7160 6.7160 6.8310 6.8310 6.9960 6.9960 7.2024 7.2024 k = 0.3621-0.0333 0.2465 ( 12879 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1401 -11.1401 -10.7889 -10.7889 -10.6916 -10.6916 -10.5885 -10.5885 -10.4311 -10.4311 -10.2740 -10.2740 -9.7412 -9.7412 -7.5664 -7.5664 -7.5201 -7.5201 -4.9647 -4.9647 -1.5214 -1.5214 -0.9237 -0.9237 -0.7529 -0.7529 -0.3185 -0.3185 -0.2064 -0.2064 -0.0488 -0.0488 0.1340 0.1340 0.2312 0.2312 0.3411 0.3411 0.4809 0.4809 0.6366 0.6366 0.7986 0.7986 0.8977 0.8977 1.2110 1.2110 1.4756 1.4756 1.6155 1.6155 1.7512 1.7512 1.8952 1.8952 1.9606 1.9606 2.0231 2.0231 2.0745 2.0745 2.2610 2.2610 2.3638 2.3638 2.7717 2.7717 2.8786 2.8786 4.3186 4.3186 5.1172 5.1172 5.6145 5.6145 6.4709 6.4709 6.7215 6.7215 6.8223 6.8223 6.9890 6.9890 7.2072 7.2072 k = 0.3448-0.0317 0.2348 ( 12884 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1450 -11.1450 -10.7868 -10.7868 -10.6912 -10.6912 -10.5882 -10.5882 -10.4336 -10.4336 -10.2700 -10.2700 -9.7385 -9.7385 -7.5665 -7.5665 -7.5190 -7.5190 -4.9713 -4.9713 -1.5159 -1.5159 -0.9185 -0.9185 -0.7577 -0.7577 -0.3195 -0.3195 -0.1953 -0.1953 -0.0527 -0.0527 0.1059 0.1059 0.2247 0.2247 0.3324 0.3324 0.4976 0.4976 0.6394 0.6394 0.8123 0.8123 0.9110 0.9110 1.2094 1.2094 1.4488 1.4488 1.6026 1.6026 1.7983 1.7983 1.8836 1.8836 1.9735 1.9735 2.0208 2.0208 2.0771 2.0771 2.2497 2.2497 2.3619 2.3619 2.7831 2.7831 2.8612 2.8612 4.3220 4.3220 5.1105 5.1105 5.6094 5.6094 6.4736 6.4736 6.7268 6.7268 6.8116 6.8116 6.9825 6.9825 7.2121 7.2121 k = 0.3276-0.0302 0.2231 ( 12889 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1504 -11.1504 -10.7843 -10.7843 -10.6908 -10.6908 -10.5879 -10.5879 -10.4362 -10.4362 -10.2657 -10.2657 -9.7359 -9.7359 -7.5665 -7.5665 -7.5178 -7.5178 -4.9783 -4.9783 -1.5107 -1.5107 -0.9223 -0.9223 -0.7523 -0.7523 -0.3217 -0.3217 -0.1861 -0.1861 -0.0534 -0.0534 0.0748 0.0748 0.2112 0.2112 0.3393 0.3393 0.5149 0.5149 0.6428 0.6428 0.8275 0.8275 0.9233 0.9233 1.2094 1.2094 1.4214 1.4214 1.5877 1.5877 1.8318 1.8318 1.8749 1.8749 1.9885 1.9885 2.0211 2.0211 2.0793 2.0793 2.2391 2.2391 2.3583 2.3583 2.7953 2.7953 2.8432 2.8432 4.3245 4.3245 5.1053 5.1053 5.6067 5.6067 6.4752 6.4752 6.7313 6.7313 6.7991 6.7991 6.9768 6.9768 7.2172 7.2172 k = 0.3103-0.0286 0.2113 ( 12885 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1561 -11.1561 -10.7815 -10.7815 -10.6903 -10.6903 -10.5875 -10.5875 -10.4387 -10.4387 -10.2613 -10.2613 -9.7337 -9.7337 -7.5662 -7.5662 -7.5165 -7.5165 -4.9858 -4.9858 -1.5061 -1.5061 -0.9360 -0.9360 -0.7365 -0.7365 -0.3249 -0.3249 -0.1789 -0.1789 -0.0510 -0.0510 0.0475 0.0475 0.1906 0.1906 0.3569 0.3569 0.5312 0.5312 0.6463 0.6463 0.8432 0.8432 0.9347 0.9347 1.2114 1.2114 1.3949 1.3949 1.5716 1.5716 1.8386 1.8386 1.8819 1.8819 1.9948 1.9948 2.0287 2.0287 2.0851 2.0851 2.2296 2.2296 2.3533 2.3533 2.8059 2.8059 2.8266 2.8266 4.3264 4.3264 5.1023 5.1023 5.6066 5.6066 6.4754 6.4754 6.7335 6.7335 6.7861 6.7861 6.9720 6.9720 7.2220 7.2220 k = 0.2931-0.0270 0.1996 ( 12885 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1623 -11.1623 -10.7783 -10.7783 -10.6897 -10.6897 -10.5870 -10.5870 -10.4413 -10.4413 -10.2568 -10.2568 -9.7318 -9.7318 -7.5657 -7.5657 -7.5150 -7.5150 -4.9936 -4.9936 -1.5022 -1.5022 -0.9576 -0.9576 -0.7127 -0.7127 -0.3287 -0.3287 -0.1730 -0.1730 -0.0463 -0.0463 0.0271 0.0271 0.1670 0.1670 0.3784 0.3784 0.5453 0.5453 0.6498 0.6498 0.8580 0.8580 0.9462 0.9462 1.2153 1.2153 1.3710 1.3710 1.5548 1.5548 1.8275 1.8275 1.8983 1.8983 1.9913 1.9913 2.0339 2.0339 2.1007 2.1007 2.2213 2.2213 2.3477 2.3477 2.7982 2.7982 2.8279 2.8279 4.3275 4.3275 5.1022 5.1022 5.6095 5.6095 6.4740 6.4740 6.7300 6.7300 6.7762 6.7762 6.9682 6.9682 7.2266 7.2266 k = 0.2759-0.0254 0.1878 ( 12888 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1686 -11.1686 -10.7748 -10.7748 -10.6890 -10.6890 -10.5865 -10.5865 -10.4438 -10.4438 -10.2523 -10.2523 -9.7303 -9.7303 -7.5649 -7.5649 -7.5135 -7.5135 -5.0018 -5.0018 -1.4991 -1.4991 -0.9849 -0.9849 -0.6839 -0.6839 -0.3323 -0.3323 -0.1678 -0.1678 -0.0404 -0.0404 0.0155 0.0155 0.1431 0.1431 0.3996 0.3996 0.5564 0.5564 0.6538 0.6538 0.8697 0.8697 0.9594 0.9594 1.2202 1.2202 1.3518 1.3518 1.5381 1.5381 1.8128 1.8128 1.9118 1.9118 1.9845 1.9845 2.0302 2.0302 2.1226 2.1226 2.2146 2.2146 2.3425 2.3425 2.7781 2.7781 2.8407 2.8407 4.3281 4.3281 5.1054 5.1054 5.6154 5.6154 6.4708 6.4708 6.7175 6.7175 6.7728 6.7728 6.9653 6.9653 7.2308 7.2308 k = 0.2586-0.0238 0.1761 ( 12889 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1752 -11.1752 -10.7712 -10.7712 -10.6881 -10.6881 -10.5859 -10.5859 -10.4462 -10.4462 -10.2477 -10.2477 -9.7293 -9.7293 -7.5637 -7.5637 -7.5119 -7.5119 -5.0101 -5.0101 -1.4968 -1.4968 -1.0158 -1.0158 -0.6525 -0.6525 -0.3350 -0.3350 -0.1626 -0.1626 -0.0343 -0.0343 0.0130 0.0130 0.1204 0.1204 0.4180 0.4180 0.5639 0.5639 0.6589 0.6589 0.8765 0.8765 0.9755 0.9755 1.2238 1.2238 1.3406 1.3406 1.5220 1.5220 1.7975 1.7975 1.9191 1.9191 1.9772 1.9772 2.0221 2.0221 2.1418 2.1418 2.2098 2.2098 2.3394 2.3394 2.7556 2.7556 2.8542 2.8542 4.3286 4.3286 5.1124 5.1124 5.6242 5.6242 6.4656 6.4656 6.6979 6.6979 6.7745 6.7745 6.9632 6.9632 7.2345 7.2345 k = 0.2414-0.0222 0.1644 ( 12888 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1819 -11.1819 -10.7674 -10.7674 -10.6871 -10.6871 -10.5852 -10.5852 -10.4485 -10.4485 -10.2431 -10.2431 -9.7288 -9.7288 -7.5623 -7.5623 -7.5102 -7.5102 -5.0184 -5.0184 -1.4957 -1.4957 -1.0491 -1.0491 -0.6204 -0.6204 -0.3361 -0.3361 -0.1566 -0.1566 -0.0277 -0.0277 0.0179 0.0179 0.1004 0.1004 0.4315 0.4315 0.5677 0.5677 0.6655 0.6655 0.8785 0.8785 0.9937 0.9937 1.2240 1.2240 1.3405 1.3405 1.5071 1.5071 1.7825 1.7825 1.9169 1.9169 1.9706 1.9706 2.0145 2.0145 2.1536 2.1536 2.2065 2.2065 2.3397 2.3397 2.7318 2.7318 2.8669 2.8669 4.3292 4.3292 5.1231 5.1231 5.6359 5.6359 6.4583 6.4583 6.6748 6.6748 6.7781 6.7781 6.9617 6.9617 7.2376 7.2376 k = 0.2241-0.0206 0.1526 ( 12890 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1886 -11.1886 -10.7637 -10.7637 -10.6859 -10.6859 -10.5845 -10.5845 -10.4507 -10.4507 -10.2385 -10.2385 -9.7289 -9.7289 -7.5605 -7.5605 -7.5085 -7.5085 -5.0268 -5.0268 -1.4956 -1.4956 -1.0834 -1.0834 -0.5890 -0.5890 -0.3351 -0.3351 -0.1497 -0.1497 -0.0206 -0.0206 0.0276 0.0276 0.0854 0.0854 0.4386 0.4386 0.5689 0.5689 0.6732 0.6732 0.8766 0.8766 1.0117 1.0117 1.2218 1.2218 1.3511 1.3511 1.4946 1.4946 1.7681 1.7681 1.9044 1.9044 1.9625 1.9625 2.0120 2.0120 2.1581 2.1581 2.2035 2.2035 2.3436 2.3436 2.7067 2.7067 2.8785 2.8785 4.3304 4.3304 5.1373 5.1373 5.6505 5.6505 6.4487 6.4487 6.6500 6.6500 6.7823 6.7823 6.9606 6.9606 7.2403 7.2403 k = 0.2069-0.0190 0.1409 ( 12895 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1952 -11.1952 -10.7600 -10.7600 -10.6845 -10.6845 -10.5837 -10.5837 -10.4528 -10.4528 -10.2340 -10.2340 -9.7295 -9.7295 -7.5585 -7.5585 -7.5068 -7.5068 -5.0350 -5.0350 -1.4969 -1.4969 -1.1174 -1.1174 -0.5593 -0.5593 -0.3320 -0.3320 -0.1417 -0.1417 -0.0165 -0.0165 0.0415 0.0415 0.0794 0.0794 0.4385 0.4385 0.5690 0.5690 0.6810 0.6810 0.8720 0.8720 1.0267 1.0267 1.2213 1.2213 1.3684 1.3684 1.4860 1.4860 1.7544 1.7544 1.8843 1.8843 1.9500 1.9500 2.0147 2.0147 2.1579 2.1579 2.1995 2.1995 2.3501 2.3501 2.6806 2.6806 2.8886 2.8886 4.3323 4.3323 5.1546 5.1546 5.6679 5.6679 6.4367 6.4367 6.6249 6.6249 6.7862 6.7862 6.9600 6.9600 7.2425 7.2425 k = 0.1897-0.0175 0.1291 ( 12889 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.2016 -11.2016 -10.7565 -10.7565 -10.6828 -10.6828 -10.5828 -10.5828 -10.4548 -10.4548 -10.2297 -10.2297 -9.7306 -9.7306 -7.5562 -7.5562 -7.5051 -7.5051 -5.0430 -5.0430 -1.4998 -1.4998 -1.1502 -1.1502 -0.5320 -0.5320 -0.3272 -0.3272 -0.1326 -0.1326 -0.0202 -0.0202 0.0613 0.0613 0.0849 0.0849 0.4312 0.4312 0.5694 0.5694 0.6876 0.6876 0.8653 0.8653 1.0363 1.0363 1.2264 1.2264 1.3866 1.3866 1.4843 1.4843 1.7413 1.7413 1.8594 1.8594 1.9344 1.9344 2.0190 2.0190 2.1557 2.1557 2.1945 2.1945 2.3571 2.3571 2.6535 2.6535 2.8972 2.8972 4.3352 4.3352 5.1743 5.1743 5.6879 5.6879 6.4222 6.4222 6.6004 6.6004 6.7897 6.7897 6.9596 6.9596 7.2442 7.2442 k = 0.1724-0.0159 0.1174 ( 12891 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.2078 -11.2078 -10.7533 -10.7533 -10.6809 -10.6809 -10.5819 -10.5819 -10.4566 -10.4566 -10.2254 -10.2254 -9.7322 -9.7322 -7.5538 -7.5538 -7.5034 -7.5034 -5.0507 -5.0507 -1.5043 -1.5043 -1.1806 -1.1806 -0.5072 -0.5072 -0.3210 -0.3210 -0.1229 -0.1229 -0.0305 -0.0305 0.0832 0.0832 0.1041 0.1041 0.4178 0.4178 0.5706 0.5706 0.6921 0.6921 0.8568 0.8568 1.0403 1.0403 1.2385 1.2385 1.3992 1.3992 1.4939 1.4939 1.7283 1.7283 1.8320 1.8320 1.9177 1.9177 2.0212 2.0212 2.1533 2.1533 2.1896 2.1896 2.3632 2.3632 2.6259 2.6259 2.9041 2.9041 4.3390 4.3390 5.1956 5.1956 5.7104 5.7104 6.4054 6.4054 6.5771 6.5771 6.7925 6.7925 6.9594 6.9594 7.2455 7.2455 k = 0.1552-0.0143 0.1057 ( 12891 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.2136 -11.2136 -10.7504 -10.7504 -10.6789 -10.6789 -10.5810 -10.5810 -10.4583 -10.4583 -10.2214 -10.2214 -9.7340 -9.7340 -7.5512 -7.5512 -7.5018 -7.5018 -5.0580 -5.0580 -1.5106 -1.5106 -1.2079 -1.2079 -0.4848 -0.4848 -0.3142 -0.3142 -0.1136 -0.1136 -0.0430 -0.0430 0.1005 0.1005 0.1387 0.1387 0.4002 0.4002 0.5724 0.5724 0.6940 0.6940 0.8465 0.8465 1.0401 1.0401 1.2563 1.2563 1.4038 1.4038 1.5156 1.5156 1.7138 1.7138 1.8049 1.8049 1.9009 1.9009 2.0193 2.0193 2.1519 2.1519 2.1855 2.1855 2.3675 2.3675 2.5981 2.5981 2.9097 2.9097 4.3437 4.3437 5.2177 5.2177 5.7349 5.7349 6.3865 6.3865 6.5558 6.5558 6.7944 6.7944 6.9595 6.9595 7.2466 7.2466 k = 0.1379-0.0127 0.0939 ( 12886 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.2190 -11.2190 -10.7479 -10.7479 -10.6768 -10.6768 -10.5801 -10.5801 -10.4598 -10.4598 -10.2176 -10.2176 -9.7362 -9.7362 -7.5486 -7.5486 -7.5003 -7.5003 -5.0648 -5.0648 -1.5185 -1.5185 -1.2314 -1.2314 -0.4643 -0.4643 -0.3071 -0.3071 -0.1073 -0.1073 -0.0529 -0.0529 0.1159 0.1159 0.1817 0.1817 0.3805 0.3805 0.5743 0.5743 0.6931 0.6931 0.8349 0.8349 1.0375 1.0375 1.2769 1.2769 1.4039 1.4039 1.5445 1.5445 1.6956 1.6956 1.7817 1.7817 1.8852 1.8852 2.0123 2.0123 2.1519 2.1519 2.1828 2.1828 2.3697 2.3697 2.5705 2.5705 2.9139 2.9139 4.3491 4.3491 5.2397 5.2397 5.7609 5.7609 6.3661 6.3661 6.5366 6.5366 6.7954 6.7954 6.9596 6.9596 7.2473 7.2473 k = 0.1207-0.0111 0.0822 ( 12883 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.2239 -11.2239 -10.7457 -10.7457 -10.6746 -10.6746 -10.5792 -10.5792 -10.4611 -10.4611 -10.2141 -10.2141 -9.7384 -9.7384 -7.5461 -7.5461 -7.4988 -7.4988 -5.0710 -5.0710 -1.5280 -1.5280 -1.2509 -1.2509 -0.4454 -0.4454 -0.3001 -0.3001 -0.1088 -0.1088 -0.0549 -0.0549 0.1302 0.1302 0.2284 0.2284 0.3612 0.3612 0.5763 0.5763 0.6896 0.6896 0.8225 0.8225 1.0336 1.0336 1.2974 1.2974 1.4032 1.4032 1.5756 1.5756 1.6723 1.6723 1.7653 1.7653 1.8718 1.8718 2.0003 2.0003 2.1532 2.1532 2.1814 2.1814 2.3701 2.3701 2.5437 2.5437 2.9171 2.9171 4.3548 4.3548 5.2608 5.2608 5.7878 5.7878 6.3449 6.3449 6.5198 6.5198 6.7956 6.7956 6.9599 6.9599 7.2478 7.2478 k = 0.1034-0.0095 0.0704 ( 12874 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2283 -11.2283 -10.7439 -10.7439 -10.6725 -10.6725 -10.5783 -10.5783 -10.4623 -10.4623 -10.2110 -10.2110 -9.7407 -9.7407 -7.5437 -7.5437 -7.4976 -7.4976 -5.0766 -5.0766 -1.5382 -1.5382 -1.2665 -1.2665 -0.4279 -0.4279 -0.2931 -0.2931 -0.1188 -0.1188 -0.0480 -0.0480 0.1426 0.1426 0.2733 0.2733 0.3468 0.3468 0.5784 0.5784 0.6841 0.6841 0.8101 0.8101 1.0286 1.0286 1.3151 1.3151 1.4039 1.4039 1.6050 1.6050 1.6462 1.6462 1.7553 1.7553 1.8620 1.8620 1.9844 1.9844 2.1549 2.1549 2.1811 2.1811 2.3692 2.3692 2.5183 2.5183 2.9194 2.9194 4.3607 4.3607 5.2803 5.2803 5.8148 5.8148 6.3239 6.3239 6.5052 6.5052 6.7950 6.7950 6.9603 6.9603 7.2481 7.2481 k = 0.0862-0.0079 0.0587 ( 12877 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2321 -11.2321 -10.7425 -10.7425 -10.6705 -10.6705 -10.5775 -10.5775 -10.4633 -10.4633 -10.2082 -10.2082 -9.7430 -9.7430 -7.5415 -7.5415 -7.4964 -7.4964 -5.0814 -5.0814 -1.5487 -1.5487 -1.2785 -1.2785 -0.4118 -0.4118 -0.2859 -0.2859 -0.1331 -0.1331 -0.0368 -0.0368 0.1521 0.1521 0.2993 0.2993 0.3535 0.3535 0.5808 0.5808 0.6770 0.6770 0.7988 0.7988 1.0220 1.0220 1.3278 1.3278 1.4067 1.4067 1.6148 1.6148 1.6375 1.6375 1.7488 1.7488 1.8574 1.8574 1.9661 1.9661 2.1562 2.1562 2.1814 2.1814 2.3674 2.3674 2.4948 2.4948 2.9209 2.9209 4.3663 4.3663 5.2977 5.2977 5.8408 5.8408 6.3039 6.3039 6.4929 6.4929 6.7938 6.7938 6.9607 6.9607 7.2483 7.2483 k = 0.0690-0.0063 0.0470 ( 12871 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2353 -11.2353 -10.7414 -10.7414 -10.6687 -10.6687 -10.5768 -10.5768 -10.4642 -10.4642 -10.2058 -10.2058 -9.7450 -9.7450 -7.5397 -7.5397 -7.4955 -7.4955 -5.0855 -5.0855 -1.5586 -1.5586 -1.2874 -1.2874 -0.3976 -0.3976 -0.2783 -0.2783 -0.1489 -0.1489 -0.0246 -0.0246 0.1577 0.1577 0.2980 0.2980 0.3881 0.3881 0.5844 0.5844 0.6689 0.6689 0.7896 0.7896 1.0135 1.0135 1.3348 1.3348 1.4106 1.4106 1.5952 1.5952 1.6586 1.6586 1.7434 1.7434 1.8587 1.8587 1.9469 1.9469 2.1563 2.1563 2.1822 2.1822 2.3655 2.3655 2.4740 2.4740 2.9219 2.9219 4.3714 4.3714 5.3124 5.3124 5.8646 5.8646 6.2860 6.2860 6.4827 6.4827 6.7923 6.7923 6.9610 6.9610 7.2484 7.2484 k = 0.0517-0.0048 0.0352 ( 12868 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2378 -11.2378 -10.7405 -10.7405 -10.6673 -10.6673 -10.5762 -10.5762 -10.4648 -10.4648 -10.2039 -10.2039 -9.7466 -9.7466 -7.5381 -7.5381 -7.4947 -7.4947 -5.0886 -5.0886 -1.5671 -1.5671 -1.2938 -1.2938 -0.3856 -0.3856 -0.2699 -0.2699 -0.1648 -0.1648 -0.0129 -0.0129 0.1591 0.1591 0.2932 0.2932 0.4238 0.4238 0.5902 0.5902 0.6602 0.6602 0.7833 0.7833 1.0034 1.0034 1.3375 1.3375 1.4136 1.4136 1.5806 1.5806 1.6772 1.6772 1.7377 1.7377 1.8652 1.8652 1.9283 1.9283 2.1552 2.1552 2.1832 2.1832 2.3639 2.3639 2.4566 2.4566 2.9225 2.9225 4.3757 4.3757 5.3242 5.3242 5.8849 5.8849 6.2709 6.2709 6.4747 6.4747 6.7906 6.7906 6.9614 6.9614 7.2485 7.2485 k = 0.0345-0.0032 0.0235 ( 12875 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2396 -11.2396 -10.7399 -10.7399 -10.6662 -10.6662 -10.5758 -10.5758 -10.4653 -10.4653 -10.2025 -10.2025 -9.7479 -9.7479 -7.5370 -7.5370 -7.4941 -7.4941 -5.0910 -5.0910 -1.5736 -1.5736 -1.2979 -1.2979 -0.3766 -0.3766 -0.2611 -0.2611 -0.1797 -0.1797 -0.0031 -0.0031 0.1574 0.1574 0.2908 0.2908 0.4507 0.4507 0.5991 0.5991 0.6513 0.6513 0.7800 0.7800 0.9928 0.9928 1.3375 1.3375 1.4146 1.4146 1.5728 1.5728 1.6916 1.6916 1.7320 1.7320 1.8741 1.8741 1.9120 1.9120 2.1532 2.1532 2.1841 2.1841 2.3629 2.3629 2.4433 2.4433 2.9228 2.9228 4.3790 4.3790 5.3328 5.3328 5.9006 5.9006 6.2594 6.2594 6.4690 6.4690 6.7892 6.7892 6.9616 6.9616 7.2485 7.2485 k = 0.0172-0.0016 0.0117 ( 12870 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2407 -11.2407 -10.7396 -10.7396 -10.6655 -10.6655 -10.5755 -10.5755 -10.4655 -10.4655 -10.2017 -10.2017 -9.7487 -9.7487 -7.5363 -7.5363 -7.4938 -7.4938 -5.0923 -5.0923 -1.5777 -1.5777 -1.3003 -1.3003 -0.3710 -0.3710 -0.2530 -0.2530 -0.1916 -0.1916 0.0035 0.0035 0.1550 0.1550 0.2903 0.2903 0.4663 0.4663 0.6096 0.6096 0.6427 0.6427 0.7791 0.7791 0.9843 0.9843 1.3368 1.3368 1.4144 1.4144 1.5698 1.5698 1.7015 1.7015 1.7273 1.7273 1.8827 1.8827 1.8994 1.8994 2.1513 2.1513 2.1848 2.1848 2.3624 2.3624 2.4349 2.4349 2.9230 2.9230 4.3810 4.3810 5.3381 5.3381 5.9105 5.9105 6.2522 6.2522 6.4655 6.4655 6.7882 6.7882 6.9618 6.9618 7.2485 7.2485 k = 0.0000 0.0000 0.0000 ( 12869 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2411 -11.2411 -10.7395 -10.7395 -10.6653 -10.6653 -10.5754 -10.5754 -10.4656 -10.4656 -10.2014 -10.2014 -9.7490 -9.7490 -7.5360 -7.5360 -7.4937 -7.4937 -5.0928 -5.0928 -1.5791 -1.5791 -1.3011 -1.3011 -0.3691 -0.3691 -0.2494 -0.2494 -0.1965 -0.1965 0.0059 0.0059 0.1539 0.1539 0.2903 0.2903 0.4712 0.4712 0.6156 0.6156 0.6377 0.6377 0.7790 0.7790 0.9810 0.9810 1.3363 1.3363 1.4142 1.4142 1.5691 1.5691 1.7053 1.7053 1.7252 1.7252 1.8896 1.8896 1.8914 1.8914 2.1505 2.1505 2.1851 2.1851 2.3623 2.3623 2.4320 2.4320 2.9230 2.9230 4.3817 4.3817 5.3398 5.3398 5.9139 5.9139 6.2498 6.2498 6.4643 6.4643 6.7879 6.7879 6.9619 6.9619 7.2485 7.2485 k = 0.0000 0.0000 0.0000 ( 12869 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2411 -11.2411 -10.7395 -10.7395 -10.6653 -10.6653 -10.5754 -10.5754 -10.4656 -10.4656 -10.2014 -10.2014 -9.7490 -9.7490 -7.5360 -7.5360 -7.4937 -7.4937 -5.0928 -5.0928 -1.5791 -1.5791 -1.3011 -1.3011 -0.3691 -0.3691 -0.2494 -0.2494 -0.1965 -0.1965 0.0059 0.0059 0.1539 0.1539 0.2903 0.2903 0.4712 0.4712 0.6156 0.6156 0.6377 0.6377 0.7790 0.7790 0.9810 0.9810 1.3363 1.3363 1.4142 1.4142 1.5691 1.5691 1.7053 1.7053 1.7252 1.7252 1.8896 1.8896 1.8914 1.8914 2.1505 2.1505 2.1851 2.1851 2.3623 2.3623 2.4320 2.4320 2.9230 2.9230 4.3817 4.3817 5.3398 5.3398 5.9139 5.9139 6.2498 6.2498 6.4643 6.4643 6.7879 6.7879 6.9619 6.9619 7.2485 7.2485 k = 0.0000 0.0178 0.0116 ( 12866 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2406 -11.2406 -10.7395 -10.7395 -10.6655 -10.6655 -10.5757 -10.5757 -10.4657 -10.4657 -10.2015 -10.2015 -9.7490 -9.7490 -7.5361 -7.5361 -7.4938 -7.4938 -5.0925 -5.0925 -1.5783 -1.5783 -1.2991 -1.2991 -0.3713 -0.3713 -0.2503 -0.2503 -0.1946 -0.1946 -0.0020 -0.0020 0.1628 0.1628 0.2895 0.2895 0.4704 0.4704 0.6079 0.6079 0.6406 0.6406 0.7749 0.7749 0.9882 0.9882 1.3371 1.3371 1.4141 1.4141 1.5671 1.5671 1.7061 1.7061 1.7252 1.7252 1.8751 1.8751 1.9057 1.9057 2.1523 2.1523 2.1851 2.1851 2.3614 2.3614 2.4328 2.4328 2.9235 2.9235 4.3818 4.3818 5.3369 5.3369 5.9103 5.9103 6.2521 6.2521 6.4667 6.4667 6.7887 6.7887 6.9628 6.9628 7.2476 7.2476 k = 0.0000 0.0356 0.0231 ( 12869 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2394 -11.2394 -10.7394 -10.7394 -10.6659 -10.6659 -10.5766 -10.5766 -10.4659 -10.4659 -10.2016 -10.2016 -9.7490 -9.7490 -7.5361 -7.5361 -7.4940 -7.4940 -5.0915 -5.0915 -1.5758 -1.5758 -1.2931 -1.2931 -0.3777 -0.3777 -0.2523 -0.2523 -0.1899 -0.1899 -0.0213 -0.0213 0.1851 0.1851 0.2871 0.2871 0.4680 0.4680 0.5905 0.5905 0.6441 0.6441 0.7652 0.7652 1.0064 1.0064 1.3392 1.3392 1.4139 1.4139 1.5613 1.5613 1.7074 1.7074 1.7261 1.7261 1.8605 1.8605 1.9202 1.9202 2.1574 2.1574 2.1852 2.1852 2.3585 2.3585 2.4351 2.4351 2.9250 2.9250 4.3821 4.3821 5.3283 5.3283 5.8999 5.8999 6.2590 6.2590 6.4734 6.4734 6.7911 6.7911 6.9655 6.9655 7.2450 7.2450 k = 0.0000 0.0533 0.0347 ( 12869 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2372 -11.2372 -10.7393 -10.7393 -10.6667 -10.6667 -10.5781 -10.5781 -10.4663 -10.4663 -10.2018 -10.2018 -9.7491 -9.7491 -7.5362 -7.5362 -7.4945 -7.4945 -5.0898 -5.0898 -1.5719 -1.5719 -1.2831 -1.2831 -0.3883 -0.3883 -0.2541 -0.2541 -0.1844 -0.1844 -0.0451 -0.0451 0.2138 0.2138 0.2832 0.2832 0.4638 0.4638 0.5686 0.5686 0.6454 0.6454 0.7545 0.7545 1.0292 1.0292 1.3425 1.3425 1.4138 1.4138 1.5524 1.5524 1.7068 1.7068 1.7293 1.7293 1.8483 1.8483 1.9339 1.9339 2.1648 2.1648 2.1856 2.1856 2.3541 2.3541 2.4386 2.4386 2.9273 2.9273 4.3827 4.3827 5.3142 5.3142 5.8838 5.8838 6.2700 6.2700 6.4842 6.4842 6.7949 6.7949 6.9698 6.9698 7.2408 7.2408 k = 0.0000 0.0711 0.0463 ( 12867 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2343 -11.2343 -10.7391 -10.7391 -10.6678 -10.6678 -10.5801 -10.5801 -10.4668 -10.4668 -10.2020 -10.2020 -9.7492 -9.7492 -7.5363 -7.5363 -7.4951 -7.4951 -5.0875 -5.0875 -1.5667 -1.5667 -1.2689 -1.2689 -0.4026 -0.4026 -0.2549 -0.2549 -0.1800 -0.1800 -0.0693 -0.0693 0.2423 0.2423 0.2798 0.2798 0.4579 0.4579 0.5453 0.5453 0.6449 0.6449 0.7451 0.7451 1.0510 1.0510 1.3465 1.3465 1.4143 1.4143 1.5416 1.5416 1.7026 1.7026 1.7351 1.7351 1.8407 1.8407 1.9469 1.9469 2.1723 2.1723 2.1878 2.1878 2.3484 2.3484 2.4430 2.4430 2.9303 2.9303 4.3835 4.3835 5.2950 5.2950 5.8635 5.8635 6.2846 6.2846 6.4984 6.4984 6.7998 6.7998 6.9753 6.9753 7.2352 7.2352 k = 0.0000 0.0889 0.0579 ( 12865 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2305 -11.2305 -10.7390 -10.7390 -10.6692 -10.6692 -10.5826 -10.5826 -10.4675 -10.4675 -10.2023 -10.2023 -9.7494 -9.7494 -7.5365 -7.5365 -7.4957 -7.4957 -5.0846 -5.0846 -1.5605 -1.5605 -1.2506 -1.2506 -0.4202 -0.4202 -0.2549 -0.2549 -0.1782 -0.1782 -0.0909 -0.0909 0.2541 0.2541 0.2908 0.2908 0.4510 0.4510 0.5230 0.5230 0.6434 0.6434 0.7376 0.7376 1.0678 1.0678 1.3503 1.3503 1.4154 1.4154 1.5306 1.5306 1.6941 1.6941 1.7424 1.7424 1.8398 1.8398 1.9592 1.9592 2.1764 2.1764 2.1943 2.1943 2.3419 2.3419 2.4479 2.4479 2.9340 2.9340 4.3847 4.3847 5.2714 5.2714 5.8405 5.8405 6.3023 6.3023 6.5152 6.5152 6.8055 6.8055 6.9817 6.9817 7.2283 7.2283 k = 0.0000 0.1067 0.0694 ( 12859 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2259 -11.2259 -10.7388 -10.7388 -10.6709 -10.6709 -10.5855 -10.5855 -10.4684 -10.4684 -10.2026 -10.2026 -9.7498 -9.7498 -7.5367 -7.5367 -7.4965 -7.4965 -5.0812 -5.0812 -1.5535 -1.5535 -1.2280 -1.2280 -0.4407 -0.4407 -0.2550 -0.2550 -0.1801 -0.1801 -0.1079 -0.1079 0.2455 0.2455 0.3177 0.3177 0.4447 0.4447 0.5032 0.5032 0.6417 0.6417 0.7316 0.7316 1.0774 1.0774 1.3527 1.3527 1.4170 1.4170 1.5219 1.5219 1.6808 1.6808 1.7515 1.7515 1.8455 1.8455 1.9713 1.9713 2.1770 2.1770 2.2041 2.2041 2.3347 2.3347 2.4529 2.4529 2.9380 2.9380 4.3861 4.3861 5.2443 5.2443 5.8162 5.8162 6.3224 6.3224 6.5342 6.5342 6.8116 6.8116 6.9886 6.9886 7.2205 7.2205 k = 0.0000 0.1245 0.0810 ( 12859 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2206 -11.2206 -10.7387 -10.7387 -10.6728 -10.6728 -10.5888 -10.5888 -10.4694 -10.4694 -10.2029 -10.2029 -9.7504 -9.7504 -7.5369 -7.5369 -7.4972 -7.4972 -5.0772 -5.0772 -1.5461 -1.5461 -1.2013 -1.2013 -0.4637 -0.4637 -0.2567 -0.2567 -0.1848 -0.1848 -0.1195 -0.1195 0.2314 0.2314 0.3436 0.3436 0.4408 0.4408 0.4870 0.4870 0.6405 0.6405 0.7265 0.7265 1.0790 1.0790 1.3527 1.3527 1.4182 1.4182 1.5176 1.5176 1.6637 1.6637 1.7630 1.7630 1.8563 1.8563 1.9831 1.9831 2.1760 2.1760 2.2144 2.2144 2.3272 2.3272 2.4580 2.4580 2.9423 2.9423 4.3879 4.3879 5.2147 5.2147 5.7918 5.7918 6.3441 6.3441 6.5549 6.5549 6.8180 6.8180 6.9953 6.9953 7.2123 7.2123 k = 0.0000 0.1423 0.0926 ( 12856 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2146 -11.2146 -10.7386 -10.7386 -10.6750 -10.6750 -10.5923 -10.5923 -10.4706 -10.4706 -10.2033 -10.2033 -9.7512 -9.7512 -7.5371 -7.5371 -7.4979 -7.4979 -5.0728 -5.0728 -1.5385 -1.5385 -1.1706 -1.1706 -0.4891 -0.4891 -0.2616 -0.2616 -0.1893 -0.1893 -0.1271 -0.1271 0.2157 0.2157 0.3627 0.3627 0.4386 0.4386 0.4774 0.4774 0.6400 0.6400 0.7220 0.7220 1.0731 1.0731 1.3501 1.3501 1.4183 1.4183 1.5187 1.5187 1.6447 1.6447 1.7769 1.7769 1.8696 1.8696 1.9949 1.9949 2.1741 2.1741 2.2239 2.2239 2.3197 2.3197 2.4627 2.4627 2.9468 2.9468 4.3901 4.3901 5.1837 5.1837 5.7682 5.7682 6.3666 6.3666 6.5769 6.5769 6.8241 6.8241 7.0016 7.0016 7.2040 7.2040 k = 0.0000 0.1600 0.1041 ( 12863 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2080 -11.2080 -10.7386 -10.7386 -10.6774 -10.6774 -10.5960 -10.5960 -10.4719 -10.4719 -10.2035 -10.2035 -9.7524 -9.7524 -7.5373 -7.5373 -7.4985 -7.4985 -5.0681 -5.0681 -1.5308 -1.5308 -1.1362 -1.1362 -0.5166 -0.5166 -0.2703 -0.2703 -0.1909 -0.1909 -0.1323 -0.1323 0.2004 0.2004 0.3719 0.3719 0.4333 0.4333 0.4803 0.4803 0.6406 0.6406 0.7176 0.7176 1.0610 1.0610 1.3453 1.3453 1.4170 1.4170 1.5247 1.5247 1.6258 1.6258 1.7928 1.7928 1.8835 1.8835 2.0066 2.0066 2.1711 2.1711 2.2318 2.2318 2.3128 2.3128 2.4670 2.4670 2.9514 2.9514 4.3926 4.3926 5.1527 5.1527 5.7460 5.7460 6.3891 6.3891 6.5999 6.5999 6.8297 6.8297 7.0071 7.0071 7.1963 7.1963 k = 0.0000 0.1778 0.1157 ( 12861 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2008 -11.2008 -10.7387 -10.7387 -10.6800 -10.6800 -10.5998 -10.5998 -10.4734 -10.4734 -10.2038 -10.2038 -9.7539 -9.7539 -7.5376 -7.5376 -7.4990 -7.4990 -5.0629 -5.0629 -1.5235 -1.5235 -1.0983 -1.0983 -0.5459 -0.5459 -0.2813 -0.2813 -0.1901 -0.1901 -0.1354 -0.1354 0.1870 0.1870 0.3705 0.3705 0.4259 0.4259 0.4926 0.4926 0.6422 0.6422 0.7132 0.7132 1.0445 1.0445 1.3387 1.3387 1.4143 1.4143 1.5338 1.5338 1.6092 1.6092 1.8096 1.8096 1.8970 1.8970 2.0177 2.0177 2.1669 2.1669 2.2374 2.2374 2.3072 2.3072 2.4707 2.4707 2.9561 2.9561 4.3954 4.3954 5.1230 5.1230 5.7256 5.7256 6.4105 6.4105 6.6239 6.6239 6.8342 6.8342 7.0116 7.0116 7.1897 7.1897 k = 0.0000 0.1956 0.1273 ( 12855 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.1931 -11.1931 -10.7389 -10.7389 -10.6827 -10.6827 -10.6036 -10.6036 -10.4751 -10.4751 -10.2039 -10.2039 -9.7558 -9.7558 -7.5379 -7.5379 -7.4994 -7.4994 -5.0576 -5.0576 -1.5165 -1.5165 -1.0575 -1.0575 -0.5765 -0.5765 -0.2929 -0.2929 -0.1889 -0.1889 -0.1358 -0.1358 0.1765 0.1765 0.3601 0.3601 0.4207 0.4207 0.5066 0.5066 0.6447 0.6447 0.7090 0.7090 1.0261 1.0261 1.3307 1.3307 1.4109 1.4109 1.5435 1.5435 1.5971 1.5971 1.8262 1.8262 1.9093 1.9093 2.0276 2.0276 2.1612 2.1612 2.2403 2.2403 2.3035 2.3035 2.4738 2.4738 2.9608 2.9608 4.3986 4.3986 5.0959 5.0959 5.7073 5.7073 6.4300 6.4300 6.6487 6.6487 6.8373 6.8373 7.0152 7.0152 7.1846 7.1846 k = 0.0000 0.2134 0.1388 ( 12865 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.1849 -11.1849 -10.7393 -10.7393 -10.6855 -10.6855 -10.6073 -10.6073 -10.4769 -10.4769 -10.2040 -10.2040 -9.7581 -9.7581 -7.5381 -7.5381 -7.4995 -7.4995 -5.0520 -5.0520 -1.5101 -1.5101 -1.0146 -1.0146 -0.6077 -0.6077 -0.3034 -0.3034 -0.1889 -0.1889 -0.1324 -0.1324 0.1694 0.1694 0.3436 0.3436 0.4171 0.4171 0.5177 0.5177 0.6471 0.6471 0.7054 0.7054 1.0078 1.0078 1.3211 1.3211 1.4077 1.4077 1.5500 1.5500 1.5932 1.5932 1.8412 1.8412 1.9203 1.9203 2.0351 2.0351 2.1539 2.1539 2.2404 2.2404 2.3023 2.3023 2.4763 2.4763 2.9655 2.9655 4.4021 4.4021 5.0725 5.0725 5.6912 5.6912 6.4467 6.4467 6.6741 6.6741 6.8384 6.8384 7.0182 7.0182 7.1812 7.1812 k = 0.0000 0.2312 0.1504 ( 12860 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.1764 -11.1764 -10.7399 -10.7399 -10.6885 -10.6885 -10.6109 -10.6109 -10.4788 -10.4788 -10.2041 -10.2041 -9.7607 -9.7607 -7.5383 -7.5383 -7.4994 -7.4994 -5.0463 -5.0463 -1.5044 -1.5044 -0.9704 -0.9704 -0.6385 -0.6385 -0.3121 -0.3121 -0.1905 -0.1905 -0.1252 -0.1252 0.1659 0.1659 0.3239 0.3239 0.4127 0.4127 0.5244 0.5244 0.6475 0.6475 0.7037 0.7037 0.9918 0.9918 1.3100 1.3100 1.4056 1.4056 1.5509 1.5509 1.5995 1.5995 1.8537 1.8537 1.9301 1.9301 2.0388 2.0388 2.1457 2.1457 2.2383 2.2383 2.3035 2.3035 2.4782 2.4782 2.9700 2.9700 4.4057 4.4057 5.0538 5.0538 5.6775 5.6775 6.4599 6.4599 6.6998 6.6998 6.8374 6.8374 7.0212 7.0212 7.1795 7.1795 k = 0.0000 0.2490 0.1620 ( 12862 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.1676 -11.1676 -10.7407 -10.7407 -10.6915 -10.6915 -10.6142 -10.6142 -10.4808 -10.4808 -10.2040 -10.2040 -9.7637 -9.7637 -7.5385 -7.5385 -7.4991 -7.4991 -5.0406 -5.0406 -1.4996 -1.4996 -0.9266 -0.9266 -0.6674 -0.6674 -0.3187 -0.3187 -0.1925 -0.1925 -0.1152 -0.1152 0.1660 0.1660 0.3029 0.3029 0.4055 0.4055 0.5270 0.5270 0.6439 0.6439 0.7047 0.7047 0.9795 0.9795 1.2974 1.2974 1.4053 1.4053 1.5492 1.5492 1.6122 1.6122 1.8625 1.8625 1.9385 1.9385 2.0375 2.0375 2.1377 2.1377 2.2350 2.2350 2.3063 2.3063 2.4796 2.4796 2.9744 2.9744 4.4095 4.4095 5.0404 5.0404 5.6661 5.6661 6.4693 6.4693 6.7249 6.7249 6.8342 6.8342 7.0247 7.0247 7.1793 7.1793 k = 0.0000 0.2667 0.1736 ( 12873 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.1587 -11.1587 -10.7416 -10.7416 -10.6946 -10.6946 -10.6172 -10.6172 -10.4829 -10.4829 -10.2039 -10.2039 -9.7671 -9.7671 -7.5387 -7.5387 -7.4986 -7.4986 -5.0349 -5.0349 -1.4958 -1.4958 -0.8858 -0.8858 -0.6918 -0.6918 -0.3228 -0.3228 -0.1940 -0.1940 -0.1033 -0.1033 0.1695 0.1695 0.2813 0.2813 0.3941 0.3941 0.5264 0.5264 0.6361 0.6361 0.7078 0.7078 0.9716 0.9716 1.2836 1.2836 1.4073 1.4073 1.5481 1.5481 1.6275 1.6275 1.8668 1.8668 1.9452 1.9452 2.0311 2.0311 2.1312 2.1312 2.2309 2.2309 2.3101 2.3101 2.4807 2.4807 2.9784 2.9784 4.4133 4.4133 5.0326 5.0326 5.6571 5.6571 6.4746 6.4746 6.7486 6.7486 6.8296 6.8296 7.0292 7.0292 7.1803 7.1803 k = 0.0000 0.2845 0.1851 ( 12874 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.1497 -11.1497 -10.7426 -10.7426 -10.6978 -10.6978 -10.6199 -10.6199 -10.4851 -10.4851 -10.2038 -10.2038 -9.7707 -9.7707 -7.5389 -7.5389 -7.4979 -7.4979 -5.0293 -5.0293 -1.4930 -1.4930 -0.8538 -0.8538 -0.7062 -0.7062 -0.3243 -0.3243 -0.1940 -0.1940 -0.0903 -0.0903 0.1760 0.1760 0.2602 0.2602 0.3781 0.3781 0.5233 0.5233 0.6254 0.6254 0.7117 0.7117 0.9680 0.9680 1.2691 1.2691 1.4116 1.4116 1.5481 1.5481 1.6432 1.6432 1.8657 1.8657 1.9496 1.9496 2.0217 2.0217 2.1265 2.1265 2.2265 2.2265 2.3142 2.3142 2.4816 2.4816 2.9821 2.9821 4.4172 4.4172 5.0305 5.0305 5.6505 5.6505 6.4760 6.4760 6.7687 6.7687 6.8254 6.8254 7.0347 7.0347 7.1822 7.1822 k = 0.0000 0.3023 0.1967 ( 12873 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.1407 -11.1407 -10.7438 -10.7438 -10.7010 -10.7010 -10.6222 -10.6222 -10.4872 -10.4872 -10.2036 -10.2036 -9.7746 -9.7746 -7.5390 -7.5390 -7.4970 -7.4970 -5.0239 -5.0239 -1.4913 -1.4913 -0.8394 -0.8394 -0.7022 -0.7022 -0.3234 -0.3234 -0.1922 -0.1922 -0.0768 -0.0768 0.1844 0.1844 0.2409 0.2409 0.3579 0.3579 0.5184 0.5184 0.6133 0.6133 0.7155 0.7155 0.9677 0.9677 1.2543 1.2543 1.4181 1.4181 1.5484 1.5484 1.6582 1.6582 1.8587 1.8587 1.9512 1.9512 2.0130 2.0130 2.1226 2.1226 2.2220 2.2220 2.3183 2.3183 2.4824 2.4824 2.9854 2.9854 4.4209 4.4209 5.0337 5.0337 5.6462 5.6462 6.4736 6.4736 6.7808 6.7808 6.8258 6.8258 7.0413 7.0413 7.1847 7.1847 k = 0.0000 0.3201 0.2083 ( 12878 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1320 -11.1320 -10.7449 -10.7449 -10.7043 -10.7043 -10.6241 -10.6241 -10.4894 -10.4894 -10.2033 -10.2033 -9.7786 -9.7786 -7.5391 -7.5391 -7.4960 -7.4960 -5.0187 -5.0187 -1.4908 -1.4908 -0.8438 -0.8438 -0.6791 -0.6791 -0.3199 -0.3199 -0.1882 -0.1882 -0.0635 -0.0635 0.1897 0.1897 0.2278 0.2278 0.3353 0.3353 0.5113 0.5113 0.6013 0.6013 0.7192 0.7192 0.9697 0.9697 1.2393 1.2393 1.4267 1.4267 1.5471 1.5471 1.6716 1.6716 1.8470 1.8470 1.9507 1.9507 2.0069 2.0069 2.1188 2.1188 2.2175 2.2175 2.3220 2.3220 2.4832 2.4832 2.9882 2.9882 4.4244 4.4244 5.0418 5.0418 5.6441 5.6441 6.4680 6.4680 6.7812 6.7812 6.8345 6.8345 7.0489 7.0489 7.1877 7.1877 k = 0.0000 0.3379 0.2198 ( 12887 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1235 -11.1235 -10.7460 -10.7460 -10.7077 -10.7077 -10.6257 -10.6257 -10.4915 -10.4915 -10.2031 -10.2031 -9.7826 -9.7826 -7.5392 -7.5392 -7.4949 -7.4949 -5.0137 -5.0137 -1.4913 -1.4913 -0.8576 -0.8576 -0.6469 -0.6469 -0.3140 -0.3140 -0.1821 -0.1821 -0.0512 -0.0512 0.1819 0.1819 0.2284 0.2284 0.3146 0.3146 0.5015 0.5015 0.5907 0.5907 0.7232 0.7232 0.9726 0.9726 1.2241 1.2241 1.4370 1.4370 1.5410 1.5410 1.6830 1.6830 1.8344 1.8344 1.9492 1.9492 2.0028 2.0028 2.1150 2.1150 2.2131 2.2131 2.3251 2.3251 2.4839 2.4839 2.9906 2.9906 4.4277 4.4277 5.0537 5.0537 5.6443 5.6443 6.4597 6.4597 6.7744 6.7744 6.8470 6.8470 7.0570 7.0570 7.1912 7.1912 k = 0.0000 0.3557 0.2314 ( 12885 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1154 -11.1154 -10.7470 -10.7470 -10.7111 -10.7111 -10.6269 -10.6269 -10.4935 -10.4935 -10.2028 -10.2028 -9.7866 -9.7866 -7.5392 -7.5392 -7.4937 -7.4937 -5.0092 -5.0092 -1.4927 -1.4927 -0.8738 -0.8738 -0.6131 -0.6131 -0.3057 -0.3057 -0.1739 -0.1739 -0.0409 -0.0409 0.1654 0.1654 0.2302 0.2302 0.3058 0.3058 0.4888 0.4888 0.5825 0.5825 0.7280 0.7280 0.9752 0.9752 1.2088 1.2088 1.4483 1.4483 1.5274 1.5274 1.6929 1.6929 1.8254 1.8254 1.9476 1.9476 1.9989 1.9989 2.1112 2.1112 2.2091 2.2091 2.3277 2.3277 2.4843 2.4843 2.9926 2.9926 4.4307 4.4307 5.0684 5.0684 5.6465 5.6465 6.4493 6.4493 6.7649 6.7649 6.8590 6.8590 7.0654 7.0654 7.1951 7.1951 k = 0.0000 0.3734 0.2430 ( 12890 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1080 -11.1080 -10.7478 -10.7478 -10.7145 -10.7145 -10.6278 -10.6278 -10.4953 -10.4953 -10.2025 -10.2025 -9.7904 -9.7904 -7.5392 -7.5392 -7.4925 -7.4925 -5.0050 -5.0050 -1.4949 -1.4949 -0.8894 -0.8894 -0.5812 -0.5812 -0.2950 -0.2950 -0.1638 -0.1638 -0.0337 -0.0337 0.1466 0.1466 0.2192 0.2192 0.3180 0.3180 0.4738 0.4738 0.5768 0.5768 0.7340 0.7340 0.9766 0.9766 1.1930 1.1930 1.4565 1.4565 1.5084 1.5084 1.7024 1.7024 1.8220 1.8220 1.9459 1.9459 1.9941 1.9941 2.1077 2.1077 2.2058 2.2058 2.3297 2.3297 2.4843 2.4843 2.9943 2.9943 4.4333 4.4333 5.0848 5.0848 5.6504 5.6504 6.4377 6.4377 6.7546 6.7546 6.8689 6.8689 7.0735 7.0735 7.1994 7.1994 k = 0.0000 0.3912 0.2545 ( 12889 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1012 -11.1012 -10.7483 -10.7483 -10.7179 -10.7179 -10.6285 -10.6285 -10.4971 -10.4971 -10.2022 -10.2022 -9.7940 -9.7940 -7.5393 -7.5393 -7.4913 -7.4913 -5.0013 -5.0013 -1.4976 -1.4976 -0.9034 -0.9034 -0.5527 -0.5527 -0.2823 -0.2823 -0.1521 -0.1521 -0.0307 -0.0307 0.1264 0.1264 0.2028 0.2028 0.3434 0.3434 0.4582 0.4582 0.5733 0.5733 0.7420 0.7420 0.9759 0.9759 1.1762 1.1762 1.4456 1.4456 1.5015 1.5015 1.7122 1.7122 1.8233 1.8233 1.9441 1.9441 1.9881 1.9881 2.1045 2.1045 2.2034 2.2034 2.3312 2.3312 2.4838 2.4838 2.9958 2.9958 4.4356 4.4356 5.1018 5.1018 5.6558 5.6558 6.4256 6.4256 6.7442 6.7442 6.8765 6.8765 7.0809 7.0809 7.2039 7.2039 k = 0.0000 0.4090 0.2661 ( 12878 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.0952 -11.0952 -10.7486 -10.7486 -10.7212 -10.7212 -10.6289 -10.6289 -10.4986 -10.4986 -10.2019 -10.2019 -9.7973 -9.7973 -7.5393 -7.5393 -7.4902 -7.4902 -4.9981 -4.9981 -1.5005 -1.5005 -0.9152 -0.9152 -0.5284 -0.5284 -0.2678 -0.2678 -0.1392 -0.1392 -0.0326 -0.0326 0.1043 0.1043 0.1893 0.1893 0.3717 0.3717 0.4458 0.4458 0.5711 0.5711 0.7527 0.7527 0.9729 0.9729 1.1576 1.1576 1.4137 1.4137 1.5129 1.5129 1.7218 1.7218 1.8271 1.8271 1.9424 1.9424 1.9812 1.9812 2.1015 2.1015 2.2022 2.2022 2.3324 2.3324 2.4827 2.4827 2.9970 2.9970 4.4374 4.4374 5.1182 5.1182 5.6622 5.6622 6.4138 6.4138 6.7342 6.7342 6.8822 6.8822 7.0873 7.0873 7.2087 7.2087 k = 0.0000 0.4268 0.2777 ( 12880 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0901 -11.0901 -10.7485 -10.7485 -10.7243 -10.7243 -10.6292 -10.6292 -10.4999 -10.4999 -10.2017 -10.2017 -9.8000 -9.8000 -7.5393 -7.5393 -7.4893 -7.4893 -4.9955 -4.9955 -1.5034 -1.5034 -0.9248 -0.9248 -0.5086 -0.5086 -0.2521 -0.2521 -0.1255 -0.1255 -0.0394 -0.0394 0.0812 0.0812 0.1812 0.1812 0.3896 0.3896 0.4469 0.4469 0.5696 0.5696 0.7668 0.7668 0.9671 0.9671 1.1364 1.1364 1.3783 1.3783 1.5292 1.5292 1.7297 1.7297 1.8318 1.8318 1.9410 1.9410 1.9742 1.9742 2.0985 2.0985 2.2021 2.2021 2.3333 2.3333 2.4811 2.4811 2.9982 2.9982 4.4390 4.4390 5.1329 5.1329 5.6689 5.6689 6.4029 6.4029 6.7250 6.7250 6.8861 6.8861 7.0925 7.0925 7.2132 7.2132 k = 0.0000 0.4446 0.2893 ( 12882 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0860 -11.0860 -10.7482 -10.7482 -10.7271 -10.7271 -10.6294 -10.6294 -10.5009 -10.5009 -10.2015 -10.2015 -9.8023 -9.8023 -7.5393 -7.5393 -7.4885 -7.4885 -4.9933 -4.9933 -1.5060 -1.5060 -0.9321 -0.9321 -0.4932 -0.4932 -0.2359 -0.2359 -0.1116 -0.1116 -0.0499 -0.0499 0.0587 0.0587 0.1776 0.1776 0.3882 0.3882 0.4676 0.4676 0.5681 0.5681 0.7851 0.7851 0.9581 0.9581 1.1128 1.1128 1.3477 1.3477 1.5458 1.5458 1.7346 1.7346 1.8366 1.8366 1.9405 1.9405 1.9676 1.9676 2.0955 2.0955 2.2030 2.2030 2.3339 2.3339 2.4792 2.4792 2.9991 2.9991 4.4401 4.4401 5.1452 5.1452 5.6752 5.6752 6.3937 6.3937 6.7172 6.7172 6.8888 6.8888 7.0965 7.0965 7.2173 7.2173 k = 0.0000 0.4624 0.3008 ( 12889 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0830 -11.0830 -10.7478 -10.7478 -10.7293 -10.7293 -10.6294 -10.6294 -10.5016 -10.5016 -10.2014 -10.2014 -9.8040 -9.8040 -7.5393 -7.5393 -7.4879 -7.4879 -4.9918 -4.9918 -1.5081 -1.5081 -0.9373 -0.9373 -0.4823 -0.4823 -0.2210 -0.2210 -0.0987 -0.0987 -0.0618 -0.0618 0.0392 0.0392 0.1767 0.1767 0.3807 0.3807 0.4923 0.4923 0.5662 0.5662 0.8074 0.8074 0.9450 0.9450 1.0894 1.0894 1.3256 1.3256 1.5601 1.5601 1.7364 1.7364 1.8410 1.8410 1.9409 1.9409 1.9616 1.9616 2.0930 2.0930 2.2043 2.2043 2.3344 2.3344 2.4775 2.4775 2.9998 2.9998 4.4409 4.4409 5.1544 5.1544 5.6803 5.6803 6.3867 6.3867 6.7112 6.7112 6.8904 6.8904 7.0993 7.0993 7.2205 7.2205 k = 0.0000 0.4801 0.3124 ( 12888 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0812 -11.0812 -10.7473 -10.7473 -10.7309 -10.7309 -10.6295 -10.6295 -10.5021 -10.5021 -10.2013 -10.2013 -9.8050 -9.8050 -7.5393 -7.5393 -7.4875 -7.4875 -4.9909 -4.9909 -1.5094 -1.5094 -0.9404 -0.9404 -0.4758 -0.4758 -0.2097 -0.2097 -0.0886 -0.0886 -0.0718 -0.0718 0.0252 0.0252 0.1769 0.1769 0.3747 0.3747 0.5108 0.5108 0.5638 0.5638 0.8304 0.8304 0.9289 0.9289 1.0720 1.0720 1.3126 1.3126 1.5701 1.5701 1.7362 1.7362 1.8441 1.8441 1.9422 1.9422 1.9571 1.9571 2.0912 2.0912 2.2053 2.2053 2.3347 2.3347 2.4762 2.4762 3.0002 3.0002 4.4414 4.4414 5.1601 5.1601 5.6838 5.6838 6.3823 6.3823 6.7074 6.7074 6.8913 6.8913 7.1009 7.1009 7.2226 7.2226 k = 0.0000 0.4979 0.3240 ( 12896 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0806 -11.0806 -10.7472 -10.7472 -10.7314 -10.7314 -10.6295 -10.6295 -10.5023 -10.5023 -10.2013 -10.2013 -9.8053 -9.8053 -7.5393 -7.5393 -7.4874 -7.4874 -4.9906 -4.9906 -1.5098 -1.5098 -0.9414 -0.9414 -0.4736 -0.4736 -0.2053 -0.2053 -0.0845 -0.0845 -0.0760 -0.0760 0.0199 0.0199 0.1771 0.1771 0.3726 0.3726 0.5178 0.5178 0.5625 0.5625 0.8423 0.8423 0.9196 0.9196 1.0656 1.0656 1.3084 1.3084 1.5737 1.5737 1.7358 1.7358 1.8453 1.8453 1.9430 1.9430 1.9551 1.9551 2.0905 2.0905 2.2057 2.2057 2.3348 2.3348 2.4758 2.4758 3.0004 3.0004 4.4416 4.4416 5.1621 5.1621 5.6850 5.6850 6.3808 6.3808 6.7061 6.7061 6.8916 6.8916 7.1015 7.1015 7.2233 7.2233 k = 0.5000 0.4519 0.2045 ( 12848 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0582 -25.0582 -11.0653 -11.0653 -10.7331 -10.7331 -10.7302 -10.7302 -10.5955 -10.5955 -10.4621 -10.4621 -10.3037 -10.3037 -9.7954 -9.7954 -7.5808 -7.5808 -7.5250 -7.5250 -4.9742 -4.9742 -1.2677 -1.2677 -0.9384 -0.9384 -0.6083 -0.6083 -0.5060 -0.5060 -0.3833 -0.3833 -0.1190 -0.1190 0.1577 0.1577 0.4232 0.4232 0.5930 0.5930 0.6597 0.6597 0.8912 0.8912 0.9222 0.9222 1.0795 1.0795 1.1704 1.1704 1.3715 1.3715 1.4525 1.4525 1.4988 1.4988 1.6089 1.6089 1.7616 1.7616 1.8950 1.8950 2.1129 2.1129 2.2002 2.2002 2.3097 2.3097 2.8234 2.8234 2.9474 2.9474 4.1901 4.1901 4.9409 4.9409 5.3932 5.3932 6.6731 6.6731 6.7978 6.7978 6.9424 6.9424 7.1002 7.1002 7.2366 7.2366 k = 0.4848 0.4382 0.1983 ( 12864 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0657 -11.0657 -10.7343 -10.7343 -10.7289 -10.7289 -10.5955 -10.5955 -10.4621 -10.4621 -10.3035 -10.3035 -9.7952 -9.7952 -7.5807 -7.5807 -7.5249 -7.5249 -4.9745 -4.9745 -1.2685 -1.2685 -0.9379 -0.9379 -0.6134 -0.6134 -0.5011 -0.5011 -0.3806 -0.3806 -0.1176 -0.1176 0.1548 0.1548 0.4217 0.4217 0.5901 0.5901 0.6614 0.6614 0.8866 0.8866 0.9228 0.9228 1.0809 1.0809 1.1715 1.1715 1.3707 1.3707 1.4554 1.4554 1.5004 1.5004 1.6101 1.6101 1.7611 1.7611 1.8932 1.8932 2.1134 2.1134 2.2015 2.2015 2.3098 2.3098 2.8225 2.8225 2.9467 2.9467 4.1913 4.1913 4.9419 4.9419 5.3943 5.3943 6.6720 6.6720 6.7970 6.7970 6.9416 6.9416 7.1002 7.1002 7.2362 7.2362 k = 0.4697 0.4245 0.1921 ( 12862 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0671 -11.0671 -10.7361 -10.7361 -10.7266 -10.7266 -10.5953 -10.5953 -10.4621 -10.4621 -10.3029 -10.3029 -9.7945 -9.7945 -7.5805 -7.5805 -7.5247 -7.5247 -4.9754 -4.9754 -1.2710 -1.2710 -0.9366 -0.9366 -0.6263 -0.6263 -0.4890 -0.4890 -0.3723 -0.3723 -0.1134 -0.1134 0.1464 0.1464 0.4173 0.4173 0.5823 0.5823 0.6651 0.6651 0.8755 0.8755 0.9226 0.9226 1.0843 1.0843 1.1750 1.1750 1.3694 1.3694 1.4632 1.4632 1.5049 1.5049 1.6137 1.6137 1.7596 1.7596 1.8882 1.8882 2.1148 2.1148 2.2051 2.2051 2.3100 2.3100 2.8199 2.8199 2.9448 2.9448 4.1948 4.1948 4.9447 4.9447 5.3976 5.3976 6.6689 6.6689 6.7945 6.7945 6.9395 6.9395 7.1003 7.1003 7.2348 7.2348 k = 0.4545 0.4108 0.1859 ( 12874 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0693 -11.0693 -10.7379 -10.7379 -10.7242 -10.7242 -10.5951 -10.5951 -10.4622 -10.4622 -10.3019 -10.3019 -9.7934 -9.7934 -7.5801 -7.5801 -7.5244 -7.5244 -4.9769 -4.9769 -1.2750 -1.2750 -0.9344 -0.9344 -0.6430 -0.6430 -0.4743 -0.4743 -0.3582 -0.3582 -0.1065 -0.1065 0.1333 0.1333 0.4097 0.4097 0.5713 0.5713 0.6685 0.6685 0.8616 0.8616 0.9197 0.9197 1.0877 1.0877 1.1822 1.1822 1.3691 1.3691 1.4739 1.4739 1.5121 1.5121 1.6190 1.6190 1.7574 1.7574 1.8808 1.8808 2.1170 2.1170 2.2107 2.2107 2.3103 2.3103 2.8155 2.8155 2.9416 2.9416 4.2005 4.2005 4.9494 4.9494 5.4030 5.4030 6.6638 6.6638 6.7903 6.7903 6.9361 6.9361 7.1003 7.1003 7.2328 7.2328 k = 0.4394 0.3971 0.1797 ( 12874 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0723 -11.0723 -10.7396 -10.7396 -10.7216 -10.7216 -10.5948 -10.5948 -10.4623 -10.4623 -10.3005 -10.3005 -9.7919 -9.7919 -7.5796 -7.5796 -7.5240 -7.5240 -4.9790 -4.9790 -1.2806 -1.2806 -0.9316 -0.9316 -0.6608 -0.6608 -0.4597 -0.4597 -0.3381 -0.3381 -0.0971 -0.0971 0.1165 0.1165 0.3992 0.3992 0.5582 0.5582 0.6698 0.6698 0.8468 0.8468 0.9145 0.9145 1.0890 1.0890 1.1937 1.1937 1.3713 1.3713 1.4838 1.4838 1.5235 1.5235 1.6246 1.6246 1.7550 1.7550 1.8726 1.8726 2.1195 2.1195 2.2177 2.2177 2.3106 2.3106 2.8094 2.8094 2.9375 2.9375 4.2081 4.2081 4.9559 4.9559 5.4105 5.4105 6.6570 6.6570 6.7840 6.7840 6.9319 6.9319 7.1000 7.1000 7.2303 7.2303 k = 0.4242 0.3834 0.1735 ( 12872 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0761 -11.0761 -10.7412 -10.7412 -10.7189 -10.7189 -10.5945 -10.5945 -10.4625 -10.4625 -10.2988 -10.2988 -9.7901 -9.7901 -7.5789 -7.5789 -7.5235 -7.5235 -4.9816 -4.9816 -1.2877 -1.2877 -0.9284 -0.9284 -0.6785 -0.6785 -0.4463 -0.4463 -0.3127 -0.3127 -0.0853 -0.0853 0.0975 0.0975 0.3859 0.3859 0.5429 0.5429 0.6682 0.6682 0.8317 0.8317 0.9081 0.9081 1.0881 1.0881 1.2090 1.2090 1.3765 1.3765 1.4896 1.4896 1.5409 1.5409 1.6294 1.6294 1.7525 1.7525 1.8653 1.8653 2.1220 2.1220 2.2254 2.2254 2.3110 2.3110 2.8017 2.8017 2.9326 2.9326 4.2174 4.2174 4.9641 4.9641 5.4200 5.4200 6.6485 6.6485 6.7756 6.7756 6.9271 6.9271 7.0993 7.0993 7.2275 7.2275 k = 0.4091 0.3697 0.1673 ( 12878 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0807 -11.0807 -10.7426 -10.7426 -10.7162 -10.7162 -10.5940 -10.5940 -10.4626 -10.4626 -10.2966 -10.2966 -9.7879 -9.7879 -7.5781 -7.5781 -7.5228 -7.5228 -4.9848 -4.9848 -1.2960 -1.2960 -0.9252 -0.9252 -0.6953 -0.6953 -0.4339 -0.4339 -0.2832 -0.2832 -0.0715 -0.0715 0.0775 0.0775 0.3703 0.3703 0.5253 0.5253 0.6641 0.6641 0.8165 0.8165 0.9016 0.9016 1.0855 1.0855 1.2268 1.2268 1.3849 1.3849 1.4907 1.4907 1.5635 1.5635 1.6324 1.6324 1.7494 1.7494 1.8611 1.8611 2.1243 2.1243 2.2332 2.2332 2.3115 2.3115 2.7923 2.7923 2.9272 2.9272 4.2279 4.2279 4.9738 4.9738 5.4315 5.4315 6.6387 6.6387 6.7649 6.7649 6.9220 6.9220 7.0979 7.0979 7.2248 7.2248 k = 0.3939 0.3560 0.1611 ( 12874 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0860 -11.0860 -10.7438 -10.7438 -10.7135 -10.7135 -10.5935 -10.5935 -10.4628 -10.4628 -10.2942 -10.2942 -9.7854 -9.7854 -7.5771 -7.5771 -7.5221 -7.5221 -4.9883 -4.9883 -1.3056 -1.3056 -0.9224 -0.9224 -0.7108 -0.7108 -0.4225 -0.4225 -0.2509 -0.2509 -0.0561 -0.0561 0.0582 0.0582 0.3531 0.3531 0.5049 0.5049 0.6581 0.6581 0.8012 0.8012 0.8955 0.8955 1.0822 1.0822 1.2455 1.2455 1.3959 1.3959 1.4883 1.4883 1.5878 1.5878 1.6350 1.6350 1.7448 1.7448 1.8617 1.8617 2.1258 2.1258 2.2406 2.2406 2.3119 2.3119 2.7814 2.7814 2.9216 2.9216 4.2393 4.2393 4.9850 4.9850 5.4447 5.4447 6.6276 6.6276 6.7521 6.7521 6.9167 6.9167 7.0956 7.0956 7.2225 7.2225 k = 0.3788 0.3423 0.1549 ( 12872 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0919 -11.0919 -10.7448 -10.7448 -10.7107 -10.7107 -10.5929 -10.5929 -10.4630 -10.4630 -10.2913 -10.2913 -9.7826 -9.7826 -7.5760 -7.5760 -7.5213 -7.5213 -4.9923 -4.9923 -1.3163 -1.3163 -0.9206 -0.9206 -0.7241 -0.7241 -0.4118 -0.4118 -0.2171 -0.2171 -0.0399 -0.0399 0.0413 0.0413 0.3350 0.3350 0.4820 0.4820 0.6509 0.6509 0.7859 0.7859 0.8898 0.8898 1.0790 1.0790 1.2637 1.2637 1.4088 1.4088 1.4834 1.4834 1.6061 1.6061 1.6433 1.6433 1.7389 1.7389 1.8675 1.8675 2.1263 2.1263 2.2470 2.2470 2.3126 2.3126 2.7691 2.7691 2.9162 2.9162 4.2512 4.2512 4.9974 4.9974 5.4597 5.4597 6.6155 6.6155 6.7375 6.7375 6.9113 6.9113 7.0925 7.0925 7.2207 7.2207 k = 0.3636 0.3287 0.1487 ( 12871 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.0984 -11.0984 -10.7457 -10.7457 -10.7078 -10.7078 -10.5923 -10.5923 -10.4632 -10.4632 -10.2882 -10.2882 -9.7797 -9.7797 -7.5747 -7.5747 -7.5203 -7.5203 -4.9966 -4.9966 -1.3278 -1.3278 -0.9208 -0.9208 -0.7348 -0.7348 -0.4017 -0.4017 -0.1835 -0.1835 -0.0249 -0.0249 0.0301 0.0301 0.3168 0.3168 0.4572 0.4572 0.6431 0.6431 0.7713 0.7713 0.8843 0.8843 1.0763 1.0763 1.2803 1.2803 1.4220 1.4220 1.4773 1.4773 1.6111 1.6111 1.6627 1.6627 1.7343 1.7343 1.8775 1.8775 2.1254 2.1254 2.2520 2.2520 2.3139 2.3139 2.7556 2.7556 2.9111 2.9111 4.2631 4.2631 5.0109 5.0109 5.4762 5.4762 6.6024 6.6024 6.7215 6.7215 6.9057 6.9057 7.0886 7.0886 7.2196 7.2196 k = 0.3485 0.3150 0.1425 ( 12871 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1054 -11.1054 -10.7464 -10.7464 -10.7050 -10.7050 -10.5916 -10.5916 -10.4633 -10.4633 -10.2848 -10.2848 -9.7766 -9.7766 -7.5733 -7.5733 -7.5194 -7.5194 -5.0011 -5.0011 -1.3402 -1.3402 -0.9237 -0.9237 -0.7422 -0.7422 -0.3923 -0.3923 -0.1519 -0.1519 -0.0163 -0.0163 0.0307 0.0307 0.2993 0.2993 0.4311 0.4311 0.6350 0.6350 0.7577 0.7577 0.8788 0.8788 1.0740 1.0740 1.2941 1.2941 1.4322 1.4322 1.4736 1.4736 1.6099 1.6099 1.6798 1.6798 1.7382 1.7382 1.8902 1.8902 2.1229 2.1229 2.2547 2.2547 2.3163 2.3163 2.7410 2.7410 2.9068 2.9068 4.2746 4.2746 5.0252 5.0252 5.4941 5.4941 6.5885 6.5885 6.7047 6.7047 6.8998 6.8998 7.0839 7.0839 7.2193 7.2193 k = 0.3333 0.3013 0.1363 ( 12862 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1129 -11.1129 -10.7469 -10.7469 -10.7022 -10.7022 -10.5908 -10.5908 -10.4635 -10.4635 -10.2812 -10.2812 -9.7735 -9.7735 -7.5719 -7.5719 -7.5183 -7.5183 -5.0060 -5.0060 -1.3533 -1.3533 -0.9300 -0.9300 -0.7456 -0.7456 -0.3837 -0.3837 -0.1242 -0.1242 -0.0151 -0.0151 0.0450 0.0450 0.2835 0.2835 0.4050 0.4050 0.6266 0.6266 0.7456 0.7456 0.8734 0.8734 1.0722 1.0722 1.3039 1.3039 1.4341 1.4341 1.4779 1.4779 1.6074 1.6074 1.6836 1.6836 1.7579 1.7579 1.9043 1.9043 2.1187 2.1187 2.2546 2.2546 2.3202 2.3202 2.7255 2.7255 2.9033 2.9033 4.2854 4.2854 5.0404 5.0404 5.5132 5.5132 6.5738 6.5738 6.6875 6.6875 6.8936 6.8936 7.0786 7.0786 7.2198 7.2198 k = 0.3182 0.2876 0.1301 ( 12865 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1206 -11.1206 -10.7473 -10.7473 -10.6994 -10.6994 -10.5900 -10.5900 -10.4637 -10.4637 -10.2773 -10.2773 -9.7704 -9.7704 -7.5702 -7.5702 -7.5172 -7.5172 -5.0109 -5.0109 -1.3669 -1.3669 -0.9400 -0.9400 -0.7451 -0.7451 -0.3760 -0.3760 -0.1029 -0.1029 -0.0140 -0.0140 0.0665 0.0665 0.2704 0.2704 0.3799 0.3799 0.6182 0.6182 0.7353 0.7353 0.8681 0.8681 1.0706 1.0706 1.3082 1.3082 1.4288 1.4288 1.4899 1.4899 1.6049 1.6049 1.6801 1.6801 1.7865 1.7865 1.9190 1.9190 2.1128 2.1128 2.2518 2.2518 2.3255 2.3255 2.7092 2.7092 2.9008 2.9008 4.2953 4.2953 5.0561 5.0561 5.5333 5.5333 6.5584 6.5584 6.6704 6.6704 6.8870 6.8870 7.0728 7.0728 7.2209 7.2209 k = 0.3030 0.2739 0.1239 ( 12867 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1286 -11.1286 -10.7475 -10.7475 -10.6967 -10.6967 -10.5892 -10.5892 -10.4639 -10.4639 -10.2731 -10.2731 -9.7673 -9.7673 -7.5685 -7.5685 -7.5160 -7.5160 -5.0161 -5.0161 -1.3810 -1.3810 -0.9536 -0.9536 -0.7408 -0.7408 -0.3690 -0.3690 -0.0892 -0.0892 -0.0094 -0.0094 0.0909 0.0909 0.2608 0.2608 0.3573 0.3573 0.6098 0.6098 0.7269 0.7269 0.8632 0.8632 1.0692 1.0692 1.3060 1.3060 1.4222 1.4222 1.5045 1.5045 1.6026 1.6026 1.6760 1.6760 1.8171 1.8171 1.9334 1.9334 2.1054 2.1054 2.2467 2.2467 2.3318 2.3318 2.6925 2.6925 2.8996 2.8996 4.3039 4.3039 5.0724 5.0724 5.5541 5.5541 6.5425 6.5425 6.6538 6.6538 6.8801 6.8801 7.0666 7.0666 7.2226 7.2226 k = 0.2879 0.2602 0.1177 ( 12860 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0582 -25.0582 -11.1369 -11.1369 -10.7475 -10.7475 -10.6940 -10.6940 -10.5883 -10.5883 -10.4640 -10.4640 -10.2688 -10.2688 -9.7643 -9.7643 -7.5667 -7.5667 -7.5147 -7.5147 -5.0213 -5.0213 -1.3953 -1.3953 -0.9704 -0.9704 -0.7332 -0.7332 -0.3625 -0.3625 -0.0822 -0.0822 -0.0026 -0.0026 0.1161 0.1161 0.2550 0.2550 0.3385 0.3385 0.6018 0.6018 0.7201 0.7201 0.8593 0.8593 1.0676 1.0676 1.2976 1.2976 1.4167 1.4167 1.5190 1.5190 1.6004 1.6004 1.6738 1.6738 1.8470 1.8470 1.9471 1.9471 2.0972 2.0972 2.2398 2.2398 2.3385 2.3385 2.6754 2.6754 2.8994 2.8994 4.3113 4.3113 5.0890 5.0890 5.5756 5.5756 6.5262 6.5262 6.6379 6.6379 6.8727 6.8727 7.0600 7.0600 7.2247 7.2247 k = 0.2727 0.2465 0.1116 ( 12869 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1452 -11.1452 -10.7475 -10.7475 -10.6913 -10.6913 -10.5874 -10.5874 -10.4642 -10.4642 -10.2644 -10.2644 -9.7615 -9.7615 -7.5648 -7.5648 -7.5135 -7.5135 -5.0266 -5.0266 -1.4098 -1.4098 -0.9898 -0.9898 -0.7229 -0.7229 -0.3561 -0.3561 -0.0803 -0.0803 0.0039 0.0039 0.1405 0.1405 0.2526 0.2526 0.3256 0.3256 0.5941 0.5941 0.7148 0.7148 0.8567 0.8567 1.0658 1.0658 1.2845 1.2845 1.4123 1.4123 1.5322 1.5322 1.5987 1.5987 1.6741 1.6741 1.8751 1.8751 1.9593 1.9593 2.0889 2.0889 2.2319 2.2319 2.3449 2.3449 2.6581 2.6581 2.9004 2.9004 4.3174 4.3174 5.1060 5.1060 5.5976 5.5976 6.5094 6.5094 6.6230 6.6230 6.8650 6.8650 7.0533 7.0533 7.2273 7.2273 k = 0.2576 0.2328 0.1054 ( 12869 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1535 -11.1535 -10.7473 -10.7473 -10.6888 -10.6888 -10.5865 -10.5865 -10.4643 -10.4643 -10.2598 -10.2598 -9.7589 -9.7589 -7.5628 -7.5628 -7.5121 -7.5121 -5.0319 -5.0319 -1.4243 -1.4243 -1.0112 -1.0112 -0.7102 -0.7102 -0.3494 -0.3494 -0.0820 -0.0820 0.0086 0.0086 0.1631 0.1631 0.2524 0.2524 0.3202 0.3202 0.5869 0.5869 0.7104 0.7104 0.8558 0.8558 1.0636 1.0636 1.2688 1.2688 1.4082 1.4082 1.5430 1.5430 1.5983 1.5983 1.6763 1.6763 1.9005 1.9005 1.9690 1.9690 2.0818 2.0818 2.2233 2.2233 2.3507 2.3507 2.6409 2.6409 2.9023 2.9023 4.3222 4.3222 5.1232 5.1232 5.6199 5.6199 6.4923 6.4923 6.6092 6.6092 6.8571 6.8571 7.0464 7.0464 7.2301 7.2301 k = 0.2424 0.2191 0.0992 ( 12867 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1619 -11.1619 -10.7469 -10.7469 -10.6863 -10.6863 -10.5856 -10.5856 -10.4645 -10.4645 -10.2551 -10.2551 -9.7565 -9.7565 -7.5607 -7.5607 -7.5107 -7.5107 -5.0373 -5.0373 -1.4387 -1.4387 -1.0341 -1.0341 -0.6955 -0.6955 -0.3421 -0.3421 -0.0869 -0.0869 0.0103 0.0103 0.1833 0.1833 0.2538 0.2538 0.3229 0.3229 0.5799 0.5799 0.7063 0.7063 0.8568 0.8568 1.0610 1.0610 1.2528 1.2528 1.4040 1.4040 1.5502 1.5502 1.6005 1.6005 1.6799 1.6799 1.9225 1.9225 1.9754 1.9754 2.0775 2.0775 2.2147 2.2147 2.3553 2.3553 2.6239 2.6239 2.9049 2.9049 4.3261 4.3261 5.1407 5.1407 5.6423 5.6423 6.4750 6.4750 6.5964 6.5964 6.8491 6.8491 7.0393 7.0393 7.2330 7.2330 k = 0.2273 0.2054 0.0930 ( 12859 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0582 -25.0582 -11.1700 -11.1700 -10.7465 -10.7465 -10.6839 -10.6839 -10.5847 -10.5847 -10.4646 -10.4646 -10.2503 -10.2503 -9.7544 -9.7544 -7.5586 -7.5586 -7.5093 -7.5093 -5.0426 -5.0426 -1.4530 -1.4530 -1.0581 -1.0581 -0.6790 -0.6790 -0.3337 -0.3337 -0.0942 -0.0942 0.0085 0.0085 0.2012 0.2012 0.2571 0.2571 0.3321 0.3321 0.5728 0.5728 0.7020 0.7020 0.8590 0.8590 1.0582 1.0582 1.2386 1.2386 1.3994 1.3994 1.5535 1.5535 1.6055 1.6055 1.6842 1.6842 1.9390 1.9390 1.9792 1.9792 2.0773 2.0773 2.2063 2.2063 2.3586 2.3586 2.6072 2.6072 2.9081 2.9081 4.3292 4.3292 5.1583 5.1583 5.6648 5.6648 6.4573 6.4573 6.5846 6.5846 6.8411 6.8411 7.0320 7.0320 7.2360 7.2360 k = 0.2121 0.1917 0.0868 ( 12859 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0582 -25.0582 -11.1781 -11.1781 -10.7461 -10.7461 -10.6816 -10.6816 -10.5837 -10.5837 -10.4647 -10.4647 -10.2455 -10.2455 -9.7526 -9.7526 -7.5565 -7.5565 -7.5079 -7.5079 -5.0478 -5.0478 -1.4669 -1.4669 -1.0826 -1.0826 -0.6608 -0.6608 -0.3243 -0.3243 -0.1030 -0.1030 0.0030 0.0030 0.2172 0.2172 0.2632 0.2632 0.3461 0.3461 0.5652 0.5652 0.6969 0.6969 0.8611 0.8611 1.0555 1.0555 1.2280 1.2280 1.3947 1.3947 1.5540 1.5540 1.6121 1.6121 1.6890 1.6890 1.9458 1.9458 1.9846 1.9846 2.0813 2.0813 2.1985 2.1985 2.3604 2.3604 2.5910 2.5910 2.9116 2.9116 4.3318 4.3318 5.1759 5.1759 5.6873 5.6873 6.4395 6.4395 6.5737 6.5737 6.8334 6.8334 7.0248 7.0248 7.2388 7.2388 k = 0.1970 0.1780 0.0806 ( 12871 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1858 -11.1858 -10.7455 -10.7455 -10.6794 -10.6794 -10.5828 -10.5828 -10.4648 -10.4648 -10.2407 -10.2407 -9.7511 -9.7511 -7.5543 -7.5543 -7.5064 -7.5064 -5.0529 -5.0529 -1.4804 -1.4804 -1.1074 -1.1074 -0.6411 -0.6411 -0.3138 -0.3138 -0.1126 -0.1126 -0.0060 -0.0060 0.2302 0.2302 0.2731 0.2731 0.3631 0.3631 0.5566 0.5566 0.6912 0.6912 0.8611 0.8611 1.0533 1.0533 1.2228 1.2228 1.3901 1.3901 1.5529 1.5529 1.6187 1.6187 1.6946 1.6946 1.9416 1.9416 1.9939 1.9939 2.0882 2.0882 2.1916 2.1916 2.3606 2.3606 2.5753 2.5753 2.9150 2.9150 4.3343 4.3343 5.1936 5.1936 5.7097 5.7097 6.4213 6.4213 6.5634 6.5634 6.8260 6.8260 7.0175 7.0175 7.2414 7.2414 k = 0.1818 0.1643 0.0744 ( 12884 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.1933 -11.1933 -10.7449 -10.7449 -10.6774 -10.6774 -10.5819 -10.5819 -10.4650 -10.4650 -10.2360 -10.2360 -9.7499 -9.7499 -7.5521 -7.5521 -7.5049 -7.5049 -5.0579 -5.0579 -1.4935 -1.4935 -1.1318 -1.1318 -0.6198 -0.6198 -0.3025 -0.3025 -0.1218 -0.1218 -0.0177 -0.0177 0.2385 0.2385 0.2885 0.2885 0.3817 0.3817 0.5467 0.5467 0.6850 0.6850 0.8572 0.8572 1.0515 1.0515 1.2242 1.2242 1.3860 1.3860 1.5512 1.5512 1.6243 1.6243 1.7011 1.7011 1.9313 1.9313 2.0029 2.0029 2.0971 2.0971 2.1859 2.1859 2.3594 2.3594 2.5602 2.5602 2.9182 2.9182 4.3370 4.3370 5.2110 5.2110 5.7319 5.7319 6.4030 6.4030 6.5536 6.5536 6.8192 6.8192 7.0103 7.0103 7.2437 7.2437 k = 0.1667 0.1506 0.0682 ( 12881 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.2003 -11.2003 -10.7443 -10.7443 -10.6755 -10.6755 -10.5810 -10.5810 -10.4651 -10.4651 -10.2314 -10.2314 -9.7490 -9.7490 -7.5500 -7.5500 -7.5035 -7.5035 -5.0627 -5.0627 -1.5059 -1.5059 -1.1557 -1.1557 -0.5971 -0.5971 -0.2907 -0.2907 -0.1300 -0.1300 -0.0313 -0.0313 0.2420 0.2420 0.3084 0.3084 0.4009 0.4009 0.5351 0.5351 0.6790 0.6790 0.8490 0.8490 1.0495 1.0495 1.2325 1.2325 1.3826 1.3826 1.5494 1.5494 1.6285 1.6285 1.7087 1.7087 1.9184 1.9184 2.0087 2.0087 2.1072 2.1072 2.1816 2.1816 2.3570 2.3570 2.5457 2.5457 2.9210 2.9210 4.3400 4.3400 5.2282 5.2282 5.7539 5.7539 6.3846 6.3846 6.5440 6.5440 6.8130 6.8130 7.0033 7.0033 7.2457 7.2457 k = 0.1515 0.1369 0.0620 ( 12879 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.2070 -11.2070 -10.7436 -10.7436 -10.6738 -10.6738 -10.5802 -10.5802 -10.4651 -10.4651 -10.2269 -10.2269 -9.7483 -9.7483 -7.5480 -7.5480 -7.5021 -7.5021 -5.0674 -5.0674 -1.5176 -1.5176 -1.1786 -1.1786 -0.5732 -0.5732 -0.2790 -0.2790 -0.1364 -0.1364 -0.0458 -0.0458 0.2423 0.2423 0.3304 0.3304 0.4195 0.4195 0.5221 0.5221 0.6738 0.6738 0.8370 0.8370 1.0465 1.0465 1.2468 1.2468 1.3803 1.3803 1.5478 1.5478 1.6320 1.6320 1.7173 1.7173 1.9045 1.9045 2.0101 2.0101 2.1180 2.1180 2.1788 2.1788 2.3539 2.3539 2.5317 2.5317 2.9232 2.9232 4.3435 4.3435 5.2448 5.2448 5.7756 5.7756 6.3663 6.3663 6.5345 6.5345 6.8076 6.8076 6.9966 6.9966 7.2472 7.2472 k = 0.1364 0.1232 0.0558 ( 12873 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.2131 -11.2131 -10.7430 -10.7430 -10.6722 -10.6722 -10.5793 -10.5793 -10.4652 -10.4652 -10.2226 -10.2226 -9.7480 -9.7480 -7.5460 -7.5460 -7.5007 -7.5007 -5.0717 -5.0717 -1.5285 -1.5285 -1.2002 -1.2002 -0.5482 -0.5482 -0.2683 -0.2683 -0.1401 -0.1401 -0.0604 -0.0604 0.2405 0.2405 0.3515 0.3515 0.4357 0.4357 0.5094 0.5094 0.6701 0.6701 0.8231 0.8231 1.0418 1.0418 1.2648 1.2648 1.3795 1.3795 1.5466 1.5466 1.6354 1.6354 1.7263 1.7263 1.8907 1.8907 2.0069 2.0069 2.1288 2.1288 2.1771 2.1771 2.3506 2.3506 2.5182 2.5182 2.9248 2.9248 4.3476 4.3476 5.2608 5.2608 5.7967 5.7967 6.3483 6.3483 6.5250 6.5250 6.8030 6.8030 6.9903 6.9903 7.2483 7.2483 k = 0.1212 0.1096 0.0496 ( 12877 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2188 -11.2188 -10.7424 -10.7424 -10.6707 -10.6707 -10.5786 -10.5786 -10.4653 -10.4653 -10.2186 -10.2186 -9.7478 -9.7478 -7.5441 -7.5441 -7.4994 -7.4994 -5.0758 -5.0758 -1.5386 -1.5386 -1.2202 -1.2202 -0.5225 -0.5225 -0.2596 -0.2596 -0.1410 -0.1410 -0.0738 -0.0738 0.2372 0.2372 0.3686 0.3686 0.4460 0.4460 0.5021 0.5021 0.6680 0.6680 0.8089 0.8089 1.0355 1.0355 1.2840 1.2840 1.3805 1.3805 1.5460 1.5460 1.6398 1.6398 1.7349 1.7349 1.8779 1.8779 1.9993 1.9993 2.1392 2.1392 2.1762 2.1762 2.3477 2.3477 2.5051 2.5051 2.9257 2.9257 4.3522 4.3522 5.2759 5.2759 5.8171 5.8171 6.3308 6.3308 6.5155 6.5155 6.7991 6.7991 6.9844 6.9844 7.2490 7.2490 k = 0.1061 0.0959 0.0434 ( 12885 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.2239 -11.2239 -10.7418 -10.7418 -10.6695 -10.6695 -10.5779 -10.5779 -10.4654 -10.4654 -10.2148 -10.2148 -9.7478 -9.7478 -7.5423 -7.5423 -7.4982 -7.4982 -5.0795 -5.0795 -1.5477 -1.5477 -1.2384 -1.2384 -0.4964 -0.4964 -0.2535 -0.2535 -0.1405 -0.1405 -0.0836 -0.0836 0.2326 0.2326 0.3762 0.3762 0.4481 0.4481 0.5071 0.5071 0.6673 0.6673 0.7960 0.7960 1.0279 1.0279 1.3014 1.3014 1.3837 1.3837 1.5464 1.5464 1.6455 1.6455 1.7423 1.7423 1.8674 1.8674 1.9882 1.9882 2.1484 2.1484 2.1754 2.1754 2.3459 2.3459 2.4924 2.4924 2.9260 2.9260 4.3572 4.3572 5.2898 5.2898 5.8366 5.8366 6.3141 6.3141 6.5060 6.5060 6.7960 6.7960 6.9792 6.9792 7.2494 7.2494 k = 0.0909 0.0822 0.0372 ( 12884 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.2283 -11.2283 -10.7412 -10.7412 -10.6684 -10.6684 -10.5773 -10.5773 -10.4655 -10.4655 -10.2115 -10.2115 -9.7479 -9.7479 -7.5408 -7.5408 -7.4970 -7.4970 -5.0829 -5.0829 -1.5557 -1.5557 -1.2546 -1.2546 -0.4705 -0.4705 -0.2501 -0.2501 -0.1426 -0.1426 -0.0853 -0.0853 0.2265 0.2265 0.3696 0.3696 0.4501 0.4501 0.5215 0.5215 0.6670 0.6670 0.7856 0.7856 1.0193 1.0193 1.3150 1.3150 1.3891 1.3891 1.5481 1.5481 1.6529 1.6529 1.7472 1.7472 1.8602 1.8602 1.9746 1.9746 2.1558 2.1558 2.1746 2.1746 2.3457 2.3457 2.4801 2.4801 2.9259 2.9259 4.3624 4.3624 5.3023 5.3023 5.8548 5.8548 6.2987 6.2987 6.4968 6.4968 6.7935 6.7935 6.9746 6.9746 7.2495 7.2495 k = 0.0758 0.0685 0.0310 ( 12886 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0582 -25.0582 -11.2322 -11.2322 -10.7407 -10.7407 -10.6674 -10.6674 -10.5767 -10.5767 -10.4655 -10.4655 -10.2085 -10.2085 -9.7481 -9.7481 -7.5394 -7.5394 -7.4961 -7.4961 -5.0858 -5.0858 -1.5627 -1.5627 -1.2685 -1.2685 -0.4454 -0.4454 -0.2487 -0.2487 -0.1506 -0.1506 -0.0762 -0.0762 0.2183 0.2183 0.3522 0.3522 0.4553 0.4553 0.5395 0.5395 0.6661 0.6661 0.7787 0.7787 1.0102 1.0102 1.3242 1.3242 1.3958 1.3958 1.5511 1.5511 1.6617 1.6617 1.7488 1.7488 1.8575 1.8575 1.9593 1.9593 2.1602 2.1602 2.1745 2.1745 2.3471 2.3471 2.4683 2.4683 2.9254 2.9254 4.3674 4.3674 5.3134 5.3134 5.8714 5.8714 6.2847 6.2847 6.4881 6.4881 6.7916 6.7916 6.9707 6.9707 7.2494 7.2494 k = 0.0606 0.0548 0.0248 ( 12880 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2353 -11.2353 -10.7403 -10.7403 -10.6667 -10.6667 -10.5763 -10.5763 -10.4656 -10.4656 -10.2060 -10.2060 -9.7484 -9.7484 -7.5382 -7.5382 -7.4952 -7.4952 -5.0883 -5.0883 -1.5685 -1.5685 -1.2801 -1.2801 -0.4219 -0.4219 -0.2486 -0.2486 -0.1622 -0.1622 -0.0594 -0.0594 0.2071 0.2071 0.3317 0.3317 0.4610 0.4610 0.5585 0.5585 0.6634 0.6634 0.7755 0.7755 1.0013 1.0013 1.3299 1.3299 1.4024 1.4024 1.5554 1.5554 1.6717 1.6717 1.7467 1.7467 1.8594 1.8594 1.9434 1.9434 2.1603 2.1603 2.1766 2.1766 2.3501 2.3501 2.4573 2.4573 2.9248 2.9248 4.3721 4.3721 5.3227 5.3227 5.8858 5.8858 6.2727 6.2727 6.4803 6.4803 6.7902 6.7902 6.9675 6.9675 7.2492 7.2492 k = 0.0455 0.0411 0.0186 ( 12880 PWs) bands (ev): -58.4927 -58.4927 -32.7839 -32.7839 -25.0849 -25.0849 -25.0581 -25.0581 -11.2378 -11.2378 -10.7399 -10.7399 -10.6661 -10.6661 -10.5759 -10.5759 -10.4656 -10.4656 -10.2040 -10.2040 -9.7486 -9.7486 -7.5373 -7.5373 -7.4946 -7.4946 -5.0902 -5.0902 -1.5731 -1.5731 -1.2892 -1.2892 -0.4011 -0.4011 -0.2490 -0.2490 -0.1746 -0.1746 -0.0389 -0.0389 0.1925 0.1925 0.3134 0.3134 0.4656 0.4656 0.5771 0.5771 0.6584 0.6584 0.7753 0.7753 0.9933 0.9933 1.3333 1.3333 1.4077 1.4077 1.5603 1.5603 1.6821 1.6821 1.7418 1.7418 1.8648 1.8648 1.9279 1.9279 2.1575 2.1575 2.1798 2.1798 2.3540 2.3540 2.4475 2.4475 2.9241 2.9241 4.3761 4.3761 5.3301 5.3301 5.8977 5.8977 6.2630 6.2630 6.4736 6.4736 6.7891 6.7891 6.9650 6.9650 7.2490 7.2490 k = 0.0303 0.0274 0.0124 ( 12869 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2396 -11.2396 -10.7397 -10.7397 -10.6656 -10.6656 -10.5756 -10.5756 -10.4656 -10.4656 -10.2026 -10.2026 -9.7488 -9.7488 -7.5366 -7.5366 -7.4941 -7.4941 -5.0917 -5.0917 -1.5764 -1.5764 -1.2958 -1.2958 -0.3843 -0.3843 -0.2493 -0.2493 -0.1857 -0.1857 -0.0179 -0.0179 0.1754 0.1754 0.3003 0.3003 0.4688 0.4688 0.5941 0.5941 0.6512 0.6512 0.7767 0.7767 0.9868 0.9868 1.3351 1.3351 1.4114 1.4114 1.5648 1.5648 1.6923 1.6923 1.7353 1.7353 1.8723 1.8723 1.9137 1.9137 2.1541 2.1541 2.1826 2.1826 2.3580 2.3580 2.4394 2.4394 2.9236 2.9236 4.3791 4.3791 5.3355 5.3355 5.9066 5.9066 6.2557 6.2557 6.4686 6.4686 6.7884 6.7884 6.9633 6.9633 7.2487 7.2487 k = 0.0152 0.0137 0.0062 ( 12863 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2407 -11.2407 -10.7395 -10.7395 -10.6654 -10.6654 -10.5755 -10.5755 -10.4656 -10.4656 -10.2017 -10.2017 -9.7489 -9.7489 -7.5362 -7.5362 -7.4938 -7.4938 -5.0925 -5.0925 -1.5784 -1.5784 -1.2998 -1.2998 -0.3731 -0.3731 -0.2494 -0.2494 -0.1936 -0.1936 -0.0010 -0.0010 0.1603 0.1603 0.2927 0.2927 0.4706 0.4706 0.6084 0.6084 0.6429 0.6429 0.7783 0.7783 0.9825 0.9825 1.3361 1.3361 1.4135 1.4135 1.5679 1.5679 1.7010 1.7010 1.7287 1.7287 1.8809 1.8809 1.9013 1.9013 2.1515 2.1515 2.1845 2.1845 2.3611 2.3611 2.4339 2.4339 2.9232 2.9232 4.3810 4.3810 5.3387 5.3387 5.9121 5.9121 6.2513 6.2513 6.4654 6.4654 6.7880 6.7880 6.9622 6.9622 7.2485 7.2485 k = 0.0000 0.0000 0.0000 ( 12869 PWs) bands (ev): -58.4927 -58.4927 -32.7838 -32.7838 -25.0849 -25.0849 -25.0581 -25.0581 -11.2411 -11.2411 -10.7395 -10.7395 -10.6653 -10.6653 -10.5754 -10.5754 -10.4656 -10.4656 -10.2014 -10.2014 -9.7490 -9.7490 -7.5360 -7.5360 -7.4937 -7.4937 -5.0928 -5.0928 -1.5791 -1.5791 -1.3011 -1.3011 -0.3691 -0.3691 -0.2494 -0.2494 -0.1965 -0.1965 0.0059 0.0059 0.1539 0.1539 0.2903 0.2903 0.4712 0.4712 0.6156 0.6156 0.6377 0.6377 0.7790 0.7790 0.9810 0.9810 1.3363 1.3363 1.4142 1.4142 1.5691 1.5691 1.7053 1.7053 1.7252 1.7252 1.8896 1.8896 1.8914 1.8914 2.1505 2.1505 2.1851 2.1851 2.3623 2.3623 2.4320 2.4320 2.9230 2.9230 4.3817 4.3817 5.3398 5.3398 5.9139 5.9139 6.2498 6.2498 6.4643 6.4643 6.7879 6.7879 6.9619 6.9619 7.2485 7.2485 Writing output data file HfxTe2Cl3x2.save init_run : 0.62s CPU 0.83s WALL ( 1 calls) electrons : 337.66s CPU 341.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.15s WALL ( 1 calls) Called by electrons: c_bands : 337.65s CPU 341.09s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.19s CPU 0.22s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.14s WALL ( 201 calls) cegterg : 308.95s CPU 311.51s WALL ( 201 calls) Called by sum_band: Called by *egterg: h_psi : 192.62s CPU 195.11s WALL ( 3353 calls) s_psi : 18.94s CPU 19.00s WALL ( 3353 calls) g_psi : 0.38s CPU 0.41s WALL ( 2951 calls) cdiaghg : 75.33s CPU 75.67s WALL ( 3152 calls) cegterg:over : 18.63s CPU 18.51s WALL ( 2951 calls) cegterg:upda : 12.33s CPU 12.35s WALL ( 2951 calls) cegterg:last : 9.27s CPU 9.30s WALL ( 767 calls) cdiaghg:chol : 3.34s CPU 3.51s WALL ( 3152 calls) cdiaghg:inve : 2.50s CPU 2.52s WALL ( 3152 calls) cdiaghg:para : 5.13s CPU 5.24s WALL ( 6304 calls) Called by h_psi: h_psi:vloc : 152.34s CPU 154.80s WALL ( 3353 calls) h_psi:vnl : 39.92s CPU 39.92s WALL ( 3353 calls) add_vuspsi : 21.70s CPU 21.54s WALL ( 3353 calls) General routines calbec : 18.18s CPU 18.37s WALL ( 3353 calls) fft : 0.04s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 144.67s CPU 146.76s WALL ( 849024 calls) interpolate : 0.01s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.33s WALL ( 402 calls) Parallel routines fft_scatter : 93.74s CPU 94.77s WALL ( 849047 calls) PWSCF : 6m26.50s CPU 6m43.40s WALL This run was terminated on: 9:37:35 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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