Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 4:30:16 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), 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: ./Te4MoBr.save/ file Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized 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 63 41 11 3060 1599 232 Max 64 42 12 3065 1623 237 Sum 4571 2979 823 220501 115921 16865 bravais-lattice index = 14 lattice parameter (alat) = 12.8898 a.u. unit-cell volume = 2427.3632 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 90.00 number of Kohn-Sham states= 108 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 307.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.889821 celldm(2)= 1.148805 celldm(3)= 1.162733 celldm(4)= -0.394744 celldm(5)= -0.224441 celldm(6)= -0.197144 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.226480 1.126259 0.000000 ) a(3) = ( -0.260965 -0.520647 1.006365 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.201091 0.363349 ) b(2) = ( 0.000000 0.887895 0.459356 ) b(3) = ( 0.000000 0.000000 0.993675 ) PseudoPot. # 1 for Mo read from file: /users/gautes/Pseudo/Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 20113fa3d0a6ce27e798500ceb8a7ae4 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1229 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 Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 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 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 Mo 14.00 95.94000 Mo( 1.00) Br 7.00 79.90400 Br( 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= 195 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 -0.4439475 -0.2296780), wk = 0.0051282 k( 2) = ( 0.0000000 -0.4254497 -0.2201081), wk = 0.0051282 k( 3) = ( 0.0000000 -0.4069519 -0.2105382), wk = 0.0051282 k( 4) = ( 0.0000000 -0.3884541 -0.2009683), wk = 0.0051282 k( 5) = ( 0.0000000 -0.3699562 -0.1913983), wk = 0.0051282 k( 6) = ( 0.0000000 -0.3514584 -0.1818284), wk = 0.0051282 k( 7) = ( 0.0000000 -0.3329606 -0.1722585), wk = 0.0051282 k( 8) = ( 0.0000000 -0.3144628 -0.1626886), wk = 0.0051282 k( 9) = ( 0.0000000 -0.2959650 -0.1531187), wk = 0.0051282 k( 10) = ( 0.0000000 -0.2774672 -0.1435488), wk = 0.0051282 k( 11) = ( 0.0000000 -0.2589694 -0.1339788), wk = 0.0051282 k( 12) = ( 0.0000000 -0.2404716 -0.1244089), wk = 0.0051282 k( 13) = ( 0.0000000 -0.2219737 -0.1148390), wk = 0.0051282 k( 14) = ( 0.0000000 -0.2034759 -0.1052691), wk = 0.0051282 k( 15) = ( 0.0000000 -0.1849781 -0.0956992), wk = 0.0051282 k( 16) = ( 0.0000000 -0.1664803 -0.0861293), wk = 0.0051282 k( 17) = ( 0.0000000 -0.1479825 -0.0765593), wk = 0.0051282 k( 18) = ( 0.0000000 -0.1294847 -0.0669894), wk = 0.0051282 k( 19) = ( 0.0000000 -0.1109869 -0.0574195), wk = 0.0051282 k( 20) = ( 0.0000000 -0.0924891 -0.0478496), wk = 0.0051282 k( 21) = ( 0.0000000 -0.0739912 -0.0382797), wk = 0.0051282 k( 22) = ( 0.0000000 -0.0554934 -0.0287098), wk = 0.0051282 k( 23) = ( 0.0000000 -0.0369956 -0.0191398), wk = 0.0051282 k( 24) = ( 0.0000000 -0.0184978 -0.0095699), wk = 0.0051282 k( 25) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 26) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 27) = ( 0.0200000 0.0040218 0.0072670), wk = 0.0051282 k( 28) = ( 0.0400000 0.0080436 0.0145340), wk = 0.0051282 k( 29) = ( 0.0600000 0.0120654 0.0218009), wk = 0.0051282 k( 30) = ( 0.0800000 0.0160872 0.0290679), wk = 0.0051282 k( 31) = ( 0.1000000 0.0201091 0.0363349), wk = 0.0051282 k( 32) = ( 0.1200000 0.0241309 0.0436019), wk = 0.0051282 k( 33) = ( 0.1400000 0.0281527 0.0508689), wk = 0.0051282 k( 34) = ( 0.1600000 0.0321745 0.0581359), wk = 0.0051282 k( 35) = ( 0.1800000 0.0361963 0.0654028), wk = 0.0051282 k( 36) = ( 0.2000000 0.0402181 0.0726698), wk = 0.0051282 k( 37) = ( 0.2200000 0.0442399 0.0799368), wk = 0.0051282 k( 38) = ( 0.2400000 0.0482617 0.0872038), wk = 0.0051282 k( 39) = ( 0.2600000 0.0522835 0.0944708), wk = 0.0051282 k( 40) = ( 0.2800000 0.0563054 0.1017377), wk = 0.0051282 k( 41) = ( 0.3000000 0.0603272 0.1090047), wk = 0.0051282 k( 42) = ( 0.3200000 0.0643490 0.1162717), wk = 0.0051282 k( 43) = ( 0.3400000 0.0683708 0.1235387), wk = 0.0051282 k( 44) = ( 0.3600000 0.0723926 0.1308057), wk = 0.0051282 k( 45) = ( 0.3800000 0.0764144 0.1380726), wk = 0.0051282 k( 46) = ( 0.4000000 0.0804362 0.1453396), wk = 0.0051282 k( 47) = ( 0.4200000 0.0844580 0.1526066), wk = 0.0051282 k( 48) = ( 0.4400000 0.0884798 0.1598736), wk = 0.0051282 k( 49) = ( 0.4600000 0.0925016 0.1671406), wk = 0.0051282 k( 50) = ( 0.4800000 0.0965235 0.1744076), wk = 0.0051282 k( 51) = ( 0.5000000 0.1005453 0.1816745), wk = 0.0051282 k( 52) = ( 0.5000000 -0.3434022 -0.0480035), wk = 0.0051282 k( 53) = ( 0.4827586 -0.3315608 -0.0463482), wk = 0.0051282 k( 54) = ( 0.4655172 -0.3197193 -0.0446929), wk = 0.0051282 k( 55) = ( 0.4482759 -0.3078779 -0.0430376), wk = 0.0051282 k( 56) = ( 0.4310345 -0.2960364 -0.0413823), wk = 0.0051282 k( 57) = ( 0.4137931 -0.2841949 -0.0397270), wk = 0.0051282 k( 58) = ( 0.3965517 -0.2723535 -0.0380717), wk = 0.0051282 k( 59) = ( 0.3793103 -0.2605120 -0.0364164), wk = 0.0051282 k( 60) = ( 0.3620690 -0.2486706 -0.0347611), wk = 0.0051282 k( 61) = ( 0.3448276 -0.2368291 -0.0331058), wk = 0.0051282 k( 62) = ( 0.3275862 -0.2249877 -0.0314506), wk = 0.0051282 k( 63) = ( 0.3103448 -0.2131462 -0.0297953), wk = 0.0051282 k( 64) = ( 0.2931034 -0.2013048 -0.0281400), wk = 0.0051282 k( 65) = ( 0.2758621 -0.1894633 -0.0264847), wk = 0.0051282 k( 66) = ( 0.2586207 -0.1776218 -0.0248294), wk = 0.0051282 k( 67) = ( 0.2413793 -0.1657804 -0.0231741), wk = 0.0051282 k( 68) = ( 0.2241379 -0.1539389 -0.0215188), wk = 0.0051282 k( 69) = ( 0.2068966 -0.1420975 -0.0198635), wk = 0.0051282 k( 70) = ( 0.1896552 -0.1302560 -0.0182082), wk = 0.0051282 k( 71) = ( 0.1724138 -0.1184146 -0.0165529), wk = 0.0051282 k( 72) = ( 0.1551724 -0.1065731 -0.0148976), wk = 0.0051282 k( 73) = ( 0.1379310 -0.0947316 -0.0132423), wk = 0.0051282 k( 74) = ( 0.1206897 -0.0828902 -0.0115870), wk = 0.0051282 k( 75) = ( 0.1034483 -0.0710487 -0.0099318), wk = 0.0051282 k( 76) = ( 0.0862069 -0.0592073 -0.0082765), wk = 0.0051282 k( 77) = ( 0.0689655 -0.0473658 -0.0066212), wk = 0.0051282 k( 78) = ( 0.0517241 -0.0355244 -0.0049659), wk = 0.0051282 k( 79) = ( 0.0344828 -0.0236829 -0.0033106), wk = 0.0051282 k( 80) = ( 0.0172414 -0.0118415 -0.0016553), wk = 0.0051282 k( 81) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 82) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 83) = ( -0.0178571 -0.0035909 0.0112558), wk = 0.0051282 k( 84) = ( -0.0357143 -0.0071818 0.0225116), wk = 0.0051282 k( 85) = ( -0.0535714 -0.0107727 0.0337675), wk = 0.0051282 k( 86) = ( -0.0714286 -0.0143636 0.0450233), wk = 0.0051282 k( 87) = ( -0.0892857 -0.0179545 0.0562791), wk = 0.0051282 k( 88) = ( -0.1071429 -0.0215454 0.0675349), wk = 0.0051282 k( 89) = ( -0.1250000 -0.0251363 0.0787907), wk = 0.0051282 k( 90) = ( -0.1428571 -0.0287272 0.0900465), wk = 0.0051282 k( 91) = ( -0.1607143 -0.0323181 0.1013024), wk = 0.0051282 k( 92) = ( -0.1785714 -0.0359090 0.1125582), wk = 0.0051282 k( 93) = ( -0.1964286 -0.0394999 0.1238140), wk = 0.0051282 k( 94) = ( -0.2142857 -0.0430908 0.1350698), wk = 0.0051282 k( 95) = ( -0.2321429 -0.0466817 0.1463256), wk = 0.0051282 k( 96) = ( -0.2500000 -0.0502726 0.1575814), wk = 0.0051282 k( 97) = ( -0.2678571 -0.0538635 0.1688373), wk = 0.0051282 k( 98) = ( -0.2857143 -0.0574544 0.1800931), wk = 0.0051282 k( 99) = ( -0.3035714 -0.0610453 0.1913489), wk = 0.0051282 k( 100) = ( -0.3214286 -0.0646362 0.2026047), wk = 0.0051282 k( 101) = ( -0.3392857 -0.0682271 0.2138605), wk = 0.0051282 k( 102) = ( -0.3571429 -0.0718181 0.2251164), wk = 0.0051282 k( 103) = ( -0.3750000 -0.0754090 0.2363722), wk = 0.0051282 k( 104) = ( -0.3928571 -0.0789999 0.2476280), wk = 0.0051282 k( 105) = ( -0.4107143 -0.0825908 0.2588838), wk = 0.0051282 k( 106) = ( -0.4285714 -0.0861817 0.2701396), wk = 0.0051282 k( 107) = ( -0.4464286 -0.0897726 0.2813954), wk = 0.0051282 k( 108) = ( -0.4642857 -0.0933635 0.2926513), wk = 0.0051282 k( 109) = ( -0.4821429 -0.0969544 0.3039071), wk = 0.0051282 k( 110) = ( -0.5000000 -0.1005453 0.3151629), wk = 0.0051282 k( 111) = ( -0.5000000 -0.5444928 0.0854849), wk = 0.0051282 k( 112) = ( -0.4857143 -0.5289358 0.0830424), wk = 0.0051282 k( 113) = ( -0.4714286 -0.5133789 0.0806000), wk = 0.0051282 k( 114) = ( -0.4571429 -0.4978220 0.0781576), wk = 0.0051282 k( 115) = ( -0.4428571 -0.4822650 0.0757152), wk = 0.0051282 k( 116) = ( -0.4285714 -0.4667081 0.0732727), wk = 0.0051282 k( 117) = ( -0.4142857 -0.4511511 0.0708303), wk = 0.0051282 k( 118) = ( -0.4000000 -0.4355942 0.0683879), wk = 0.0051282 k( 119) = ( -0.3857143 -0.4200373 0.0659455), wk = 0.0051282 k( 120) = ( -0.3714286 -0.4044803 0.0635030), wk = 0.0051282 k( 121) = ( -0.3571429 -0.3889234 0.0610606), wk = 0.0051282 k( 122) = ( -0.3428571 -0.3733665 0.0586182), wk = 0.0051282 k( 123) = ( -0.3285714 -0.3578095 0.0561758), wk = 0.0051282 k( 124) = ( -0.3142857 -0.3422526 0.0537333), wk = 0.0051282 k( 125) = ( -0.3000000 -0.3266957 0.0512909), wk = 0.0051282 k( 126) = ( -0.2857143 -0.3111387 0.0488485), wk = 0.0051282 k( 127) = ( -0.2714286 -0.2955818 0.0464061), wk = 0.0051282 k( 128) = ( -0.2571429 -0.2800249 0.0439636), wk = 0.0051282 k( 129) = ( -0.2428571 -0.2644679 0.0415212), wk = 0.0051282 k( 130) = ( -0.2285714 -0.2489110 0.0390788), wk = 0.0051282 k( 131) = ( -0.2142857 -0.2333540 0.0366364), wk = 0.0051282 k( 132) = ( -0.2000000 -0.2177971 0.0341939), wk = 0.0051282 k( 133) = ( -0.1857143 -0.2022402 0.0317515), wk = 0.0051282 k( 134) = ( -0.1714286 -0.1866832 0.0293091), wk = 0.0051282 k( 135) = ( -0.1571429 -0.1711263 0.0268667), wk = 0.0051282 k( 136) = ( -0.1428571 -0.1555694 0.0244242), wk = 0.0051282 k( 137) = ( -0.1285714 -0.1400124 0.0219818), wk = 0.0051282 k( 138) = ( -0.1142857 -0.1244555 0.0195394), wk = 0.0051282 k( 139) = ( -0.1000000 -0.1088986 0.0170970), wk = 0.0051282 k( 140) = ( -0.0857143 -0.0933416 0.0146545), wk = 0.0051282 k( 141) = ( -0.0714286 -0.0777847 0.0122121), wk = 0.0051282 k( 142) = ( -0.0571429 -0.0622277 0.0097697), wk = 0.0051282 k( 143) = ( -0.0428571 -0.0466708 0.0073273), wk = 0.0051282 k( 144) = ( -0.0285714 -0.0311139 0.0048848), wk = 0.0051282 k( 145) = ( -0.0142857 -0.0155569 0.0024424), wk = 0.0051282 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 148) = ( 0.0000000 0.0000000 0.0216016), wk = 0.0051282 k( 149) = ( 0.0000000 0.0000000 0.0432033), wk = 0.0051282 k( 150) = ( 0.0000000 0.0000000 0.0648049), wk = 0.0051282 k( 151) = ( 0.0000000 0.0000000 0.0864065), wk = 0.0051282 k( 152) = ( 0.0000000 0.0000000 0.1080081), wk = 0.0051282 k( 153) = ( 0.0000000 0.0000000 0.1296098), wk = 0.0051282 k( 154) = ( 0.0000000 0.0000000 0.1512114), wk = 0.0051282 k( 155) = ( 0.0000000 0.0000000 0.1728130), wk = 0.0051282 k( 156) = ( 0.0000000 0.0000000 0.1944146), wk = 0.0051282 k( 157) = ( 0.0000000 0.0000000 0.2160163), wk = 0.0051282 k( 158) = ( 0.0000000 0.0000000 0.2376179), wk = 0.0051282 k( 159) = ( 0.0000000 0.0000000 0.2592195), wk = 0.0051282 k( 160) = ( 0.0000000 0.0000000 0.2808212), wk = 0.0051282 k( 161) = ( 0.0000000 0.0000000 0.3024228), wk = 0.0051282 k( 162) = ( 0.0000000 0.0000000 0.3240244), wk = 0.0051282 k( 163) = ( 0.0000000 0.0000000 0.3456260), wk = 0.0051282 k( 164) = ( 0.0000000 0.0000000 0.3672277), wk = 0.0051282 k( 165) = ( 0.0000000 0.0000000 0.3888293), wk = 0.0051282 k( 166) = ( 0.0000000 0.0000000 0.4104309), wk = 0.0051282 k( 167) = ( 0.0000000 0.0000000 0.4320325), wk = 0.0051282 k( 168) = ( 0.0000000 0.0000000 0.4536342), wk = 0.0051282 k( 169) = ( 0.0000000 0.0000000 0.4752358), wk = 0.0051282 k( 170) = ( 0.0000000 0.0000000 0.4968374), wk = 0.0051282 k( 171) = ( 0.0000000 -0.4439475 0.2671594), wk = 0.0051282 k( 172) = ( 0.0000000 -0.4254497 0.2560278), wk = 0.0051282 k( 173) = ( 0.0000000 -0.4069519 0.2448961), wk = 0.0051282 k( 174) = ( 0.0000000 -0.3884541 0.2337645), wk = 0.0051282 k( 175) = ( 0.0000000 -0.3699562 0.2226328), wk = 0.0051282 k( 176) = ( 0.0000000 -0.3514584 0.2115012), wk = 0.0051282 k( 177) = ( 0.0000000 -0.3329606 0.2003696), wk = 0.0051282 k( 178) = ( 0.0000000 -0.3144628 0.1892379), wk = 0.0051282 k( 179) = ( 0.0000000 -0.2959650 0.1781063), wk = 0.0051282 k( 180) = ( 0.0000000 -0.2774672 0.1669746), wk = 0.0051282 k( 181) = ( 0.0000000 -0.2589694 0.1558430), wk = 0.0051282 k( 182) = ( 0.0000000 -0.2404716 0.1447113), wk = 0.0051282 k( 183) = ( 0.0000000 -0.2219737 0.1335797), wk = 0.0051282 k( 184) = ( 0.0000000 -0.2034759 0.1224481), wk = 0.0051282 k( 185) = ( 0.0000000 -0.1849781 0.1113164), wk = 0.0051282 k( 186) = ( 0.0000000 -0.1664803 0.1001848), wk = 0.0051282 k( 187) = ( 0.0000000 -0.1479825 0.0890531), wk = 0.0051282 k( 188) = ( 0.0000000 -0.1294847 0.0779215), wk = 0.0051282 k( 189) = ( 0.0000000 -0.1109869 0.0667899), wk = 0.0051282 k( 190) = ( 0.0000000 -0.0924891 0.0556582), wk = 0.0051282 k( 191) = ( 0.0000000 -0.0739912 0.0445266), wk = 0.0051282 k( 192) = ( 0.0000000 -0.0554934 0.0333949), wk = 0.0051282 k( 193) = ( 0.0000000 -0.0369956 0.0222633), wk = 0.0051282 k( 194) = ( 0.0000000 -0.0184978 0.0111316), wk = 0.0051282 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 cryst. coord. k( 1) = ( 0.0000000 -0.5000000 -0.0000000), wk = 0.0051282 k( 2) = ( 0.0000000 -0.4791667 -0.0000000), wk = 0.0051282 k( 3) = ( 0.0000000 -0.4583333 -0.0000000), wk = 0.0051282 k( 4) = ( 0.0000000 -0.4375000 -0.0000000), wk = 0.0051282 k( 5) = ( 0.0000000 -0.4166667 -0.0000000), wk = 0.0051282 k( 6) = ( 0.0000000 -0.3958333 0.0000000), wk = 0.0051282 k( 7) = ( 0.0000000 -0.3750000 -0.0000000), wk = 0.0051282 k( 8) = ( 0.0000000 -0.3541667 -0.0000000), wk = 0.0051282 k( 9) = ( 0.0000000 -0.3333333 0.0000000), wk = 0.0051282 k( 10) = ( 0.0000000 -0.3125000 0.0000000), wk = 0.0051282 k( 11) = ( 0.0000000 -0.2916667 0.0000000), wk = 0.0051282 k( 12) = ( 0.0000000 -0.2708333 -0.0000000), wk = 0.0051282 k( 13) = ( 0.0000000 -0.2500000 -0.0000000), wk = 0.0051282 k( 14) = ( 0.0000000 -0.2291667 0.0000000), wk = 0.0051282 k( 15) = ( 0.0000000 -0.2083333 0.0000000), wk = 0.0051282 k( 16) = ( 0.0000000 -0.1875000 -0.0000000), wk = 0.0051282 k( 17) = ( 0.0000000 -0.1666667 -0.0000000), wk = 0.0051282 k( 18) = ( 0.0000000 -0.1458333 -0.0000000), wk = 0.0051282 k( 19) = ( 0.0000000 -0.1250000 -0.0000000), wk = 0.0051282 k( 20) = ( 0.0000000 -0.1041667 0.0000000), wk = 0.0051282 k( 21) = ( 0.0000000 -0.0833333 0.0000000), wk = 0.0051282 k( 22) = ( 0.0000000 -0.0625000 -0.0000000), wk = 0.0051282 k( 23) = ( 0.0000000 -0.0416667 0.0000000), wk = 0.0051282 k( 24) = ( 0.0000000 -0.0208333 -0.0000000), wk = 0.0051282 k( 25) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 26) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 27) = ( 0.0200000 -0.0000000 -0.0000000), wk = 0.0051282 k( 28) = ( 0.0400000 -0.0000000 -0.0000000), wk = 0.0051282 k( 29) = ( 0.0600000 0.0000000 -0.0000000), wk = 0.0051282 k( 30) = ( 0.0800000 -0.0000000 -0.0000000), wk = 0.0051282 k( 31) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0051282 k( 32) = ( 0.1200000 0.0000000 -0.0000000), wk = 0.0051282 k( 33) = ( 0.1400000 0.0000000 -0.0000000), wk = 0.0051282 k( 34) = ( 0.1600000 -0.0000000 -0.0000000), wk = 0.0051282 k( 35) = ( 0.1800000 -0.0000000 0.0000000), wk = 0.0051282 k( 36) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0051282 k( 37) = ( 0.2200000 -0.0000000 -0.0000000), wk = 0.0051282 k( 38) = ( 0.2400000 0.0000000 -0.0000000), wk = 0.0051282 k( 39) = ( 0.2600000 0.0000000 -0.0000000), wk = 0.0051282 k( 40) = ( 0.2800000 0.0000000 -0.0000000), wk = 0.0051282 k( 41) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0051282 k( 42) = ( 0.3200000 -0.0000000 -0.0000000), wk = 0.0051282 k( 43) = ( 0.3400000 0.0000000 -0.0000000), wk = 0.0051282 k( 44) = ( 0.3600000 -0.0000000 0.0000000), wk = 0.0051282 k( 45) = ( 0.3800000 -0.0000000 0.0000000), wk = 0.0051282 k( 46) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0051282 k( 47) = ( 0.4200000 0.0000000 0.0000000), wk = 0.0051282 k( 48) = ( 0.4400000 -0.0000000 -0.0000000), wk = 0.0051282 k( 49) = ( 0.4600000 -0.0000000 -0.0000000), wk = 0.0051282 k( 50) = ( 0.4800000 0.0000000 -0.0000000), wk = 0.0051282 k( 51) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0051282 k( 52) = ( 0.5000000 -0.5000000 -0.0000000), wk = 0.0051282 k( 53) = ( 0.4827586 -0.4827586 -0.0000000), wk = 0.0051282 k( 54) = ( 0.4655172 -0.4655172 0.0000000), wk = 0.0051282 k( 55) = ( 0.4482759 -0.4482759 -0.0000000), wk = 0.0051282 k( 56) = ( 0.4310345 -0.4310345 -0.0000000), wk = 0.0051282 k( 57) = ( 0.4137931 -0.4137931 -0.0000000), wk = 0.0051282 k( 58) = ( 0.3965517 -0.3965517 -0.0000000), wk = 0.0051282 k( 59) = ( 0.3793103 -0.3793103 0.0000000), wk = 0.0051282 k( 60) = ( 0.3620690 -0.3620690 -0.0000000), wk = 0.0051282 k( 61) = ( 0.3448276 -0.3448276 -0.0000000), wk = 0.0051282 k( 62) = ( 0.3275862 -0.3275862 -0.0000000), wk = 0.0051282 k( 63) = ( 0.3103448 -0.3103448 0.0000000), wk = 0.0051282 k( 64) = ( 0.2931034 -0.2931034 -0.0000000), wk = 0.0051282 k( 65) = ( 0.2758621 -0.2758621 -0.0000000), wk = 0.0051282 k( 66) = ( 0.2586207 -0.2586207 -0.0000000), wk = 0.0051282 k( 67) = ( 0.2413793 -0.2413793 -0.0000000), wk = 0.0051282 k( 68) = ( 0.2241379 -0.2241379 -0.0000000), wk = 0.0051282 k( 69) = ( 0.2068966 -0.2068966 -0.0000000), wk = 0.0051282 k( 70) = ( 0.1896552 -0.1896552 0.0000000), wk = 0.0051282 k( 71) = ( 0.1724138 -0.1724138 0.0000000), wk = 0.0051282 k( 72) = ( 0.1551724 -0.1551724 0.0000000), wk = 0.0051282 k( 73) = ( 0.1379310 -0.1379310 0.0000000), wk = 0.0051282 k( 74) = ( 0.1206897 -0.1206897 -0.0000000), wk = 0.0051282 k( 75) = ( 0.1034483 -0.1034483 -0.0000000), wk = 0.0051282 k( 76) = ( 0.0862069 -0.0862069 -0.0000000), wk = 0.0051282 k( 77) = ( 0.0689655 -0.0689655 0.0000000), wk = 0.0051282 k( 78) = ( 0.0517241 -0.0517241 -0.0000000), wk = 0.0051282 k( 79) = ( 0.0344828 -0.0344828 0.0000000), wk = 0.0051282 k( 80) = ( 0.0172414 -0.0172414 0.0000000), wk = 0.0051282 k( 81) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 82) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 83) = ( -0.0178571 -0.0000000 0.0178571), wk = 0.0051282 k( 84) = ( -0.0357143 0.0000000 0.0357143), wk = 0.0051282 k( 85) = ( -0.0535714 0.0000000 0.0535714), wk = 0.0051282 k( 86) = ( -0.0714286 -0.0000000 0.0714286), wk = 0.0051282 k( 87) = ( -0.0892857 -0.0000000 0.0892857), wk = 0.0051282 k( 88) = ( -0.1071429 0.0000000 0.1071429), wk = 0.0051282 k( 89) = ( -0.1250000 0.0000000 0.1250000), wk = 0.0051282 k( 90) = ( -0.1428571 -0.0000000 0.1428571), wk = 0.0051282 k( 91) = ( -0.1607143 -0.0000000 0.1607143), wk = 0.0051282 k( 92) = ( -0.1785714 -0.0000000 0.1785714), wk = 0.0051282 k( 93) = ( -0.1964286 -0.0000000 0.1964286), wk = 0.0051282 k( 94) = ( -0.2142857 -0.0000000 0.2142857), wk = 0.0051282 k( 95) = ( -0.2321429 -0.0000000 0.2321429), wk = 0.0051282 k( 96) = ( -0.2500000 0.0000000 0.2500000), wk = 0.0051282 k( 97) = ( -0.2678571 0.0000000 0.2678571), wk = 0.0051282 k( 98) = ( -0.2857143 -0.0000000 0.2857143), wk = 0.0051282 k( 99) = ( -0.3035714 0.0000000 0.3035714), wk = 0.0051282 k( 100) = ( -0.3214286 -0.0000000 0.3214286), wk = 0.0051282 k( 101) = ( -0.3392857 -0.0000000 0.3392857), wk = 0.0051282 k( 102) = ( -0.3571429 -0.0000000 0.3571429), wk = 0.0051282 k( 103) = ( -0.3750000 0.0000000 0.3750000), wk = 0.0051282 k( 104) = ( -0.3928571 -0.0000000 0.3928571), wk = 0.0051282 k( 105) = ( -0.4107143 0.0000000 0.4107143), wk = 0.0051282 k( 106) = ( -0.4285714 0.0000000 0.4285714), wk = 0.0051282 k( 107) = ( -0.4464286 -0.0000000 0.4464286), wk = 0.0051282 k( 108) = ( -0.4642857 -0.0000000 0.4642857), wk = 0.0051282 k( 109) = ( -0.4821429 0.0000000 0.4821429), wk = 0.0051282 k( 110) = ( -0.5000000 0.0000000 0.5000000), wk = 0.0051282 k( 111) = ( -0.5000000 -0.5000000 0.5000000), wk = 0.0051282 k( 112) = ( -0.4857143 -0.4857143 0.4857143), wk = 0.0051282 k( 113) = ( -0.4714286 -0.4714286 0.4714286), wk = 0.0051282 k( 114) = ( -0.4571429 -0.4571429 0.4571429), wk = 0.0051282 k( 115) = ( -0.4428571 -0.4428571 0.4428571), wk = 0.0051282 k( 116) = ( -0.4285714 -0.4285714 0.4285714), wk = 0.0051282 k( 117) = ( -0.4142857 -0.4142857 0.4142857), wk = 0.0051282 k( 118) = ( -0.4000000 -0.4000000 0.4000000), wk = 0.0051282 k( 119) = ( -0.3857143 -0.3857143 0.3857143), wk = 0.0051282 k( 120) = ( -0.3714286 -0.3714286 0.3714286), wk = 0.0051282 k( 121) = ( -0.3571429 -0.3571429 0.3571429), wk = 0.0051282 k( 122) = ( -0.3428571 -0.3428571 0.3428571), wk = 0.0051282 k( 123) = ( -0.3285714 -0.3285714 0.3285714), wk = 0.0051282 k( 124) = ( -0.3142857 -0.3142857 0.3142857), wk = 0.0051282 k( 125) = ( -0.3000000 -0.3000000 0.3000000), wk = 0.0051282 k( 126) = ( -0.2857143 -0.2857143 0.2857143), wk = 0.0051282 k( 127) = ( -0.2714286 -0.2714286 0.2714286), wk = 0.0051282 k( 128) = ( -0.2571429 -0.2571429 0.2571429), wk = 0.0051282 k( 129) = ( -0.2428571 -0.2428571 0.2428571), wk = 0.0051282 k( 130) = ( -0.2285714 -0.2285714 0.2285714), wk = 0.0051282 k( 131) = ( -0.2142857 -0.2142857 0.2142857), wk = 0.0051282 k( 132) = ( -0.2000000 -0.2000000 0.2000000), wk = 0.0051282 k( 133) = ( -0.1857143 -0.1857143 0.1857143), wk = 0.0051282 k( 134) = ( -0.1714286 -0.1714286 0.1714286), wk = 0.0051282 k( 135) = ( -0.1571429 -0.1571429 0.1571429), wk = 0.0051282 k( 136) = ( -0.1428571 -0.1428571 0.1428571), wk = 0.0051282 k( 137) = ( -0.1285714 -0.1285714 0.1285714), wk = 0.0051282 k( 138) = ( -0.1142857 -0.1142857 0.1142857), wk = 0.0051282 k( 139) = ( -0.1000000 -0.1000000 0.1000000), wk = 0.0051282 k( 140) = ( -0.0857143 -0.0857143 0.0857143), wk = 0.0051282 k( 141) = ( -0.0714286 -0.0714286 0.0714286), wk = 0.0051282 k( 142) = ( -0.0571429 -0.0571429 0.0571429), wk = 0.0051282 k( 143) = ( -0.0428571 -0.0428571 0.0428571), wk = 0.0051282 k( 144) = ( -0.0285714 -0.0285714 0.0285714), wk = 0.0051282 k( 145) = ( -0.0142857 -0.0142857 0.0142857), wk = 0.0051282 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 k( 148) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0051282 k( 149) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0051282 k( 150) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0051282 k( 151) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0051282 k( 152) = ( 0.0000000 0.0000000 0.1086956), wk = 0.0051282 k( 153) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0051282 k( 154) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0051282 k( 155) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0051282 k( 156) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0051282 k( 157) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0051282 k( 158) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0051282 k( 159) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0051282 k( 160) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0051282 k( 161) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0051282 k( 162) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0051282 k( 163) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0051282 k( 164) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0051282 k( 165) = ( 0.0000000 0.0000000 0.3913043), wk = 0.0051282 k( 166) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0051282 k( 167) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0051282 k( 168) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0051282 k( 169) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0051282 k( 170) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0051282 k( 171) = ( 0.0000000 -0.5000000 0.5000000), wk = 0.0051282 k( 172) = ( 0.0000000 -0.4791667 0.4791667), wk = 0.0051282 k( 173) = ( 0.0000000 -0.4583333 0.4583333), wk = 0.0051282 k( 174) = ( 0.0000000 -0.4375000 0.4375000), wk = 0.0051282 k( 175) = ( 0.0000000 -0.4166667 0.4166667), wk = 0.0051282 k( 176) = ( 0.0000000 -0.3958333 0.3958333), wk = 0.0051282 k( 177) = ( 0.0000000 -0.3750000 0.3750000), wk = 0.0051282 k( 178) = ( 0.0000000 -0.3541667 0.3541667), wk = 0.0051282 k( 179) = ( 0.0000000 -0.3333333 0.3333333), wk = 0.0051282 k( 180) = ( 0.0000000 -0.3125000 0.3125000), wk = 0.0051282 k( 181) = ( 0.0000000 -0.2916667 0.2916667), wk = 0.0051282 k( 182) = ( 0.0000000 -0.2708333 0.2708333), wk = 0.0051282 k( 183) = ( 0.0000000 -0.2500000 0.2500000), wk = 0.0051282 k( 184) = ( 0.0000000 -0.2291667 0.2291667), wk = 0.0051282 k( 185) = ( 0.0000000 -0.2083333 0.2083333), wk = 0.0051282 k( 186) = ( 0.0000000 -0.1875000 0.1875000), wk = 0.0051282 k( 187) = ( 0.0000000 -0.1666667 0.1666667), wk = 0.0051282 k( 188) = ( 0.0000000 -0.1458333 0.1458333), wk = 0.0051282 k( 189) = ( 0.0000000 -0.1250000 0.1250000), wk = 0.0051282 k( 190) = ( 0.0000000 -0.1041667 0.1041667), wk = 0.0051282 k( 191) = ( 0.0000000 -0.0833333 0.0833333), wk = 0.0051282 k( 192) = ( 0.0000000 -0.0625000 0.0625000), wk = 0.0051282 k( 193) = ( 0.0000000 -0.0416667 0.0416667), wk = 0.0051282 k( 194) = ( 0.0000000 -0.0208333 0.0208333), wk = 0.0051282 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051282 Dense grid: 220501 G-vectors FFT dimensions: ( 72, 90, 90) Smooth grid: 115921 G-vectors FFT dimensions: ( 60, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.69 Mb ( 420, 108) NL pseudopotentials 1.18 Mb ( 210, 368) Each V/rho on FFT grid 0.20 Mb ( 12960) Each G-vector array 0.02 Mb ( 3065) G-vector shells 0.02 Mb ( 2988) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.77 Mb ( 420, 432) Each subspace H/S matrix 0.08 Mb ( 72, 72) Each matrix 1.21 Mb ( 368, 2, 108) The potential is recalculated from file : ./Te4MoBr.save/charge-density.dat Starting wfc are 120 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.0 secs Computing kpt #: 2 total cpu time spent up to now is 8.7 secs Computing kpt #: 3 total cpu time spent up to now is 11.3 secs Computing kpt #: 4 total cpu time spent up to now is 13.8 secs Computing kpt #: 5 total cpu time spent up to now is 16.9 secs Computing kpt #: 6 total cpu time spent up to now is 20.5 secs Computing kpt #: 7 total cpu time spent up to now is 23.8 secs Computing kpt #: 8 total cpu time spent up to now is 27.6 secs Computing kpt #: 9 total cpu time spent up to now is 30.1 secs Computing kpt #: 10 total cpu time spent up to now is 33.1 secs Computing kpt #: 11 total cpu time spent up to now is 35.6 secs Computing kpt #: 12 total cpu time spent up to now is 38.4 secs Computing kpt #: 13 total cpu time spent up to now is 42.3 secs Computing kpt #: 14 total cpu time spent up to now is 45.8 secs Computing kpt #: 15 total cpu time spent up to now is 49.7 secs Computing kpt #: 16 total cpu time spent up to now is 53.5 secs Computing kpt #: 17 total cpu time spent up to now is 57.1 secs Computing kpt #: 18 total cpu time spent up to now is 61.1 secs Computing kpt #: 19 total cpu time spent up to now is 65.7 secs Computing kpt #: 20 total cpu time spent up to now is 70.1 secs Computing kpt #: 21 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 77.1 secs Computing kpt #: 22 total cpu time spent up to now is 82.2 secs Computing kpt #: 23 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.3 secs Computing kpt #: 24 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.5 secs Computing kpt #: 25 total cpu time spent up to now is 101.7 secs Computing kpt #: 26 total cpu time spent up to now is 106.6 secs Computing kpt #: 27 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 113.7 secs Computing kpt #: 28 total cpu time spent up to now is 118.9 secs Computing kpt #: 29 total cpu time spent up to now is 123.4 secs Computing kpt #: 30 total cpu time spent up to now is 127.5 secs Computing kpt #: 31 total cpu time spent up to now is 131.7 secs Computing kpt #: 32 total cpu time spent up to now is 135.7 secs Computing kpt #: 33 total cpu time spent up to now is 139.2 secs Computing kpt #: 34 total cpu time spent up to now is 143.9 secs Computing kpt #: 35 total cpu time spent up to now is 148.5 secs Computing kpt #: 36 total cpu time spent up to now is 151.9 secs Computing kpt #: 37 total cpu time spent up to now is 155.8 secs Computing kpt #: 38 total cpu time spent up to now is 160.5 secs Computing kpt #: 39 total cpu time spent up to now is 165.0 secs Computing kpt #: 40 total cpu time spent up to now is 169.2 secs Computing kpt #: 41 total cpu time spent up to now is 173.2 secs Computing kpt #: 42 total cpu time spent up to now is 177.8 secs Computing kpt #: 43 total cpu time spent up to now is 181.9 secs Computing kpt #: 44 total cpu time spent up to now is 186.3 secs Computing kpt #: 45 total cpu time spent up to now is 190.4 secs Computing kpt #: 46 total cpu time spent up to now is 194.8 secs Computing kpt #: 47 total cpu time spent up to now is 200.0 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 207.4 secs Computing kpt #: 49 total cpu time spent up to now is 212.8 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 220.3 secs Computing kpt #: 51 total cpu time spent up to now is 225.9 secs Computing kpt #: 52 total cpu time spent up to now is 229.2 secs Computing kpt #: 53 total cpu time spent up to now is 233.0 secs Computing kpt #: 54 total cpu time spent up to now is 236.2 secs Computing kpt #: 55 total cpu time spent up to now is 239.4 secs Computing kpt #: 56 total cpu time spent up to now is 242.6 secs Computing kpt #: 57 total cpu time spent up to now is 246.0 secs Computing kpt #: 58 total cpu time spent up to now is 249.2 secs Computing kpt #: 59 total cpu time spent up to now is 252.3 secs Computing kpt #: 60 total cpu time spent up to now is 255.4 secs Computing kpt #: 61 total cpu time spent up to now is 258.6 secs Computing kpt #: 62 total cpu time spent up to now is 261.8 secs Computing kpt #: 63 total cpu time spent up to now is 264.8 secs Computing kpt #: 64 total cpu time spent up to now is 267.9 secs Computing kpt #: 65 total cpu time spent up to now is 271.1 secs Computing kpt #: 66 total cpu time spent up to now is 275.0 secs Computing kpt #: 67 total cpu time spent up to now is 279.0 secs Computing kpt #: 68 total cpu time spent up to now is 282.9 secs Computing kpt #: 69 total cpu time spent up to now is 286.5 secs Computing kpt #: 70 total cpu time spent up to now is 290.4 secs Computing kpt #: 71 total cpu time spent up to now is 293.7 secs Computing kpt #: 72 total cpu time spent up to now is 297.0 secs Computing kpt #: 73 total cpu time spent up to now is 300.3 secs Computing kpt #: 74 total cpu time spent up to now is 303.8 secs Computing kpt #: 75 total cpu time spent up to now is 308.1 secs Computing kpt #: 76 total cpu time spent up to now is 312.0 secs Computing kpt #: 77 total cpu time spent up to now is 316.0 secs Computing kpt #: 78 total cpu time spent up to now is 320.5 secs Computing kpt #: 79 total cpu time spent up to now is 325.9 secs Computing kpt #: 80 total cpu time spent up to now is 331.3 secs Computing kpt #: 81 total cpu time spent up to now is 336.5 secs Computing kpt #: 82 total cpu time spent up to now is 341.9 secs Computing kpt #: 83 total cpu time spent up to now is 347.7 secs Computing kpt #: 84 total cpu time spent up to now is 352.9 secs Computing kpt #: 85 total cpu time spent up to now is 358.0 secs Computing kpt #: 86 total cpu time spent up to now is 362.2 secs Computing kpt #: 87 total cpu time spent up to now is 366.2 secs Computing kpt #: 88 total cpu time spent up to now is 369.9 secs Computing kpt #: 89 total cpu time spent up to now is 373.6 secs Computing kpt #: 90 total cpu time spent up to now is 377.3 secs Computing kpt #: 91 total cpu time spent up to now is 381.9 secs Computing kpt #: 92 total cpu time spent up to now is 386.2 secs Computing kpt #: 93 total cpu time spent up to now is 389.5 secs Computing kpt #: 94 total cpu time spent up to now is 393.4 secs Computing kpt #: 95 total cpu time spent up to now is 396.7 secs Computing kpt #: 96 total cpu time spent up to now is 399.9 secs Computing kpt #: 97 total cpu time spent up to now is 403.3 secs Computing kpt #: 98 total cpu time spent up to now is 406.5 secs Computing kpt #: 99 total cpu time spent up to now is 410.5 secs Computing kpt #: 100 total cpu time spent up to now is 413.8 secs Computing kpt #: 101 total cpu time spent up to now is 417.7 secs Computing kpt #: 102 total cpu time spent up to now is 420.9 secs Computing kpt #: 103 total cpu time spent up to now is 424.4 secs Computing kpt #: 104 total cpu time spent up to now is 427.4 secs Computing kpt #: 105 total cpu time spent up to now is 430.6 secs Computing kpt #: 106 total cpu time spent up to now is 434.0 secs Computing kpt #: 107 total cpu time spent up to now is 437.3 secs Computing kpt #: 108 total cpu time spent up to now is 440.6 secs Computing kpt #: 109 total cpu time spent up to now is 443.8 secs Computing kpt #: 110 total cpu time spent up to now is 447.3 secs Computing kpt #: 111 total cpu time spent up to now is 450.6 secs Computing kpt #: 112 total cpu time spent up to now is 453.8 secs Computing kpt #: 113 total cpu time spent up to now is 456.9 secs Computing kpt #: 114 total cpu time spent up to now is 460.1 secs Computing kpt #: 115 total cpu time spent up to now is 463.3 secs Computing kpt #: 116 total cpu time spent up to now is 466.4 secs Computing kpt #: 117 total cpu time spent up to now is 469.5 secs Computing kpt #: 118 total cpu time spent up to now is 472.7 secs Computing kpt #: 119 total cpu time spent up to now is 475.9 secs Computing kpt #: 120 total cpu time spent up to now is 479.0 secs Computing kpt #: 121 total cpu time spent up to now is 482.0 secs Computing kpt #: 122 total cpu time spent up to now is 485.2 secs Computing kpt #: 123 total cpu time spent up to now is 488.4 secs Computing kpt #: 124 total cpu time spent up to now is 492.6 secs Computing kpt #: 125 total cpu time spent up to now is 496.5 secs Computing kpt #: 126 total cpu time spent up to now is 500.6 secs Computing kpt #: 127 total cpu time spent up to now is 504.7 secs Computing kpt #: 128 total cpu time spent up to now is 508.8 secs Computing kpt #: 129 total cpu time spent up to now is 512.7 secs Computing kpt #: 130 total cpu time spent up to now is 516.8 secs Computing kpt #: 131 total cpu time spent up to now is 521.0 secs Computing kpt #: 132 total cpu time spent up to now is 525.6 secs Computing kpt #: 133 total cpu time spent up to now is 529.6 secs Computing kpt #: 134 total cpu time spent up to now is 533.9 secs Computing kpt #: 135 total cpu time spent up to now is 538.0 secs Computing kpt #: 136 total cpu time spent up to now is 542.1 secs Computing kpt #: 137 total cpu time spent up to now is 546.3 secs Computing kpt #: 138 total cpu time spent up to now is 550.5 secs Computing kpt #: 139 total cpu time spent up to now is 554.6 secs Computing kpt #: 140 total cpu time spent up to now is 559.0 secs Computing kpt #: 141 total cpu time spent up to now is 563.3 secs Computing kpt #: 142 total cpu time spent up to now is 567.5 secs Computing kpt #: 143 total cpu time spent up to now is 572.6 secs Computing kpt #: 144 total cpu time spent up to now is 577.7 secs Computing kpt #: 145 total cpu time spent up to now is 582.8 secs Computing kpt #: 146 total cpu time spent up to now is 587.5 secs Computing kpt #: 147 total cpu time spent up to now is 592.3 secs Computing kpt #: 148 total cpu time spent up to now is 597.5 secs Computing kpt #: 149 total cpu time spent up to now is 604.4 secs Computing kpt #: 150 total cpu time spent up to now is 609.8 secs Computing kpt #: 151 total cpu time spent up to now is 615.1 secs Computing kpt #: 152 total cpu time spent up to now is 619.3 secs Computing kpt #: 153 total cpu time spent up to now is 623.2 secs Computing kpt #: 154 total cpu time spent up to now is 627.0 secs Computing kpt #: 155 total cpu time spent up to now is 630.5 secs Computing kpt #: 156 total cpu time spent up to now is 633.7 secs Computing kpt #: 157 total cpu time spent up to now is 637.1 secs Computing kpt #: 158 total cpu time spent up to now is 640.3 secs Computing kpt #: 159 total cpu time spent up to now is 643.4 secs Computing kpt #: 160 total cpu time spent up to now is 646.6 secs Computing kpt #: 161 total cpu time spent up to now is 650.0 secs Computing kpt #: 162 total cpu time spent up to now is 652.6 secs Computing kpt #: 163 total cpu time spent up to now is 655.7 secs Computing kpt #: 164 total cpu time spent up to now is 658.8 secs Computing kpt #: 165 total cpu time spent up to now is 661.2 secs Computing kpt #: 166 total cpu time spent up to now is 663.8 secs Computing kpt #: 167 total cpu time spent up to now is 666.3 secs Computing kpt #: 168 total cpu time spent up to now is 668.7 secs Computing kpt #: 169 total cpu time spent up to now is 671.2 secs Computing kpt #: 170 total cpu time spent up to now is 673.6 secs Computing kpt #: 171 total cpu time spent up to now is 677.2 secs Computing kpt #: 172 total cpu time spent up to now is 680.5 secs Computing kpt #: 173 total cpu time spent up to now is 683.9 secs Computing kpt #: 174 total cpu time spent up to now is 687.3 secs Computing kpt #: 175 total cpu time spent up to now is 690.7 secs Computing kpt #: 176 total cpu time spent up to now is 694.5 secs Computing kpt #: 177 total cpu time spent up to now is 698.7 secs Computing kpt #: 178 total cpu time spent up to now is 702.8 secs Computing kpt #: 179 total cpu time spent up to now is 707.7 secs Computing kpt #: 180 total cpu time spent up to now is 712.5 secs Computing kpt #: 181 total cpu time spent up to now is 716.8 secs Computing kpt #: 182 total cpu time spent up to now is 721.2 secs Computing kpt #: 183 total cpu time spent up to now is 726.1 secs Computing kpt #: 184 total cpu time spent up to now is 730.2 secs Computing kpt #: 185 total cpu time spent up to now is 735.0 secs Computing kpt #: 186 total cpu time spent up to now is 740.1 secs Computing kpt #: 187 total cpu time spent up to now is 744.7 secs Computing kpt #: 188 total cpu time spent up to now is 749.1 secs Computing kpt #: 189 total cpu time spent up to now is 754.0 secs Computing kpt #: 190 total cpu time spent up to now is 759.4 secs Computing kpt #: 191 total cpu time spent up to now is 764.1 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 771.0 secs Computing kpt #: 193 total cpu time spent up to now is 777.5 secs Computing kpt #: 194 total cpu time spent up to now is 782.4 secs Computing kpt #: 195 total cpu time spent up to now is 787.1 secs ethr = 1.11E-08, avg # of iterations = 46.9 total cpu time spent up to now is 787.1 secs End of band structure calculation k = 0.0000-0.4439-0.2297 ( 14488 PWs) bands (ev): -54.0878 -54.0878 -54.0675 -54.0675 -29.9524 -29.9524 -29.9001 -29.9001 -27.5514 -27.5514 -27.4537 -27.4537 -27.3878 -27.3878 -27.3671 -27.3671 -7.5685 -7.5685 -7.4332 -7.4332 -6.5708 -6.5708 -5.6106 -5.6106 -5.2395 -5.2395 -5.1698 -5.1698 -3.6566 -3.6566 -3.4382 -3.4382 -3.2998 -3.2998 -2.7597 -2.7597 1.1038 1.1038 1.6314 1.6314 2.0027 2.0027 2.0131 2.0131 2.2972 2.2972 2.3791 2.3791 2.9520 2.9520 3.0951 3.0951 3.3448 3.3448 3.4402 3.4402 3.7392 3.7392 3.8287 3.8287 4.0389 4.0389 4.2444 4.2444 4.3381 4.3381 4.5303 4.5303 4.6965 4.6965 4.9516 4.9516 5.1168 5.1168 5.2049 5.2049 5.3905 5.3905 5.4291 5.4291 5.5855 5.5855 5.6780 5.6780 5.8882 5.8882 6.4261 6.4261 6.4811 6.4811 7.5906 7.5906 8.1577 8.1577 8.3945 8.3945 8.4980 8.4980 8.5983 8.5983 8.7191 8.7191 8.7759 8.7759 8.8557 8.8557 9.1549 9.1549 k = 0.0000-0.4254-0.2201 ( 14491 PWs) bands (ev): -54.0878 -54.0878 -54.0674 -54.0674 -29.9524 -29.9524 -29.9001 -29.9001 -27.5514 -27.5514 -27.4537 -27.4537 -27.3878 -27.3878 -27.3671 -27.3671 -7.5690 -7.5690 -7.4331 -7.4331 -6.5703 -6.5703 -5.6102 -5.6102 -5.2397 -5.2397 -5.1697 -5.1697 -3.6568 -3.6568 -3.4393 -3.4393 -3.2988 -3.2988 -2.7604 -2.7604 1.1043 1.1043 1.6293 1.6293 2.0004 2.0004 2.0164 2.0164 2.2974 2.2974 2.3762 2.3762 2.9562 2.9562 3.0975 3.0975 3.3413 3.3413 3.4386 3.4386 3.7416 3.7416 3.8299 3.8299 4.0361 4.0361 4.2379 4.2379 4.3495 4.3495 4.5295 4.5295 4.6993 4.6993 4.9513 4.9513 5.1162 5.1162 5.2045 5.2045 5.3839 5.3839 5.4309 5.4309 5.5862 5.5862 5.6779 5.6779 5.8900 5.8900 6.4257 6.4257 6.4813 6.4813 7.5913 7.5913 8.1626 8.1626 8.3944 8.3944 8.4973 8.4973 8.5976 8.5976 8.7159 8.7159 8.7766 8.7766 8.8561 8.8561 9.1546 9.1546 k = 0.0000-0.4070-0.2105 ( 14485 PWs) bands (ev): -54.0878 -54.0878 -54.0675 -54.0675 -29.9524 -29.9524 -29.9001 -29.9001 -27.5514 -27.5514 -27.4537 -27.4537 -27.3878 -27.3878 -27.3671 -27.3671 -7.5704 -7.5704 -7.4328 -7.4328 -6.5685 -6.5685 -5.6091 -5.6091 -5.2401 -5.2401 -5.1694 -5.1694 -3.6572 -3.6572 -3.4423 -3.4423 -3.2959 -3.2959 -2.7625 -2.7625 1.1059 1.1059 1.6229 1.6229 1.9967 1.9967 2.0230 2.0230 2.2969 2.2969 2.3693 2.3693 2.9674 2.9674 3.1044 3.1044 3.3313 3.3313 3.4346 3.4346 3.7480 3.7480 3.8333 3.8333 4.0284 4.0284 4.2252 4.2252 4.3762 4.3762 4.5272 4.5272 4.7072 4.7072 4.9504 4.9504 5.1143 5.1143 5.2032 5.2032 5.3684 5.3684 5.4321 5.4321 5.5883 5.5883 5.6781 5.6781 5.8950 5.8950 6.4246 6.4246 6.4821 6.4821 7.5936 7.5936 8.1768 8.1768 8.3941 8.3941 8.4953 8.4953 8.5955 8.5955 8.7074 8.7074 8.7784 8.7784 8.8573 8.8573 9.1537 9.1537 k = 0.0000-0.3885-0.2010 ( 14494 PWs) bands (ev): -54.0878 -54.0878 -54.0675 -54.0675 -29.9524 -29.9524 -29.9001 -29.9001 -27.5514 -27.5514 -27.4537 -27.4537 -27.3878 -27.3878 -27.3671 -27.3671 -7.5728 -7.5728 -7.4323 -7.4323 -6.5656 -6.5656 -5.6073 -5.6073 -5.2409 -5.2409 -5.1689 -5.1689 -3.6579 -3.6579 -3.4470 -3.4470 -3.2913 -3.2913 -2.7660 -2.7660 1.1083 1.1083 1.6122 1.6122 1.9933 1.9933 2.0314 2.0314 2.2927 2.2927 2.3637 2.3637 2.9827 2.9827 3.1149 3.1149 3.3159 3.3159 3.4297 3.4297 3.7568 3.7568 3.8392 3.8392 4.0178 4.0178 4.2133 4.2133 4.4095 4.4095 4.5243 4.5243 4.7194 4.7194 4.9489 4.9489 5.1109 5.1109 5.2002 5.2002 5.3496 5.3496 5.4286 5.4286 5.5917 5.5917 5.6792 5.6792 5.9027 5.9027 6.4229 6.4229 6.4834 6.4834 7.5979 7.5979 8.1987 8.1987 8.3936 8.3936 8.4916 8.4916 8.5921 8.5921 8.6954 8.6954 8.7805 8.7805 8.8592 8.8592 9.1522 9.1522 k = 0.0000-0.3700-0.1914 ( 14499 PWs) bands (ev): -54.0878 -54.0878 -54.0675 -54.0675 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3878 -27.3878 -27.3671 -27.3671 -7.5761 -7.5761 -7.4317 -7.4317 -6.5616 -6.5616 -5.6048 -5.6048 -5.2420 -5.2420 -5.1682 -5.1682 -3.6589 -3.6589 -3.4530 -3.4530 -3.2856 -3.2856 -2.7707 -2.7707 1.1117 1.1117 1.5975 1.5975 1.9904 1.9904 2.0413 2.0413 2.2817 2.2817 2.3647 2.3647 2.9981 2.9981 3.1270 3.1270 3.2971 3.2971 3.4259 3.4259 3.7658 3.7658 3.8478 3.8478 4.0071 4.0071 4.2045 4.2045 4.4442 4.4442 4.5222 4.5222 4.7346 4.7346 4.9465 4.9465 5.1058 5.1058 5.1948 5.1948 5.3309 5.3309 5.4198 5.4198 5.5957 5.5957 5.6822 5.6822 5.9126 5.9126 6.4206 6.4206 6.4851 6.4851 7.6046 7.6046 8.2256 8.2256 8.3928 8.3928 8.4861 8.4861 8.5876 8.5876 8.6821 8.6821 8.7833 8.7833 8.8615 8.8615 9.1500 9.1500 k = 0.0000-0.3515-0.1818 ( 14499 PWs) bands (ev): -54.0878 -54.0878 -54.0675 -54.0675 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3878 -27.3878 -27.3671 -27.3671 -7.5802 -7.5802 -7.4309 -7.4309 -6.5567 -6.5567 -5.6016 -5.6016 -5.2433 -5.2433 -5.1673 -5.1673 -3.6599 -3.6599 -3.4600 -3.4600 -3.2791 -3.2791 -2.7768 -2.7768 1.1158 1.1158 1.5789 1.5789 1.9876 1.9876 2.0530 2.0530 2.2657 2.2657 2.3732 2.3732 3.0097 3.0097 3.1373 3.1373 3.2787 3.2787 3.4254 3.4254 3.7729 3.7729 3.8590 3.8590 3.9993 3.9993 4.1989 4.1989 4.4753 4.4753 4.5248 4.5248 4.7513 4.7513 4.9432 4.9432 5.0982 5.0982 5.1866 5.1866 5.3146 5.3146 5.4066 5.4066 5.5993 5.5993 5.6876 5.6876 5.9240 5.9240 6.4177 6.4177 6.4872 6.4872 7.6141 7.6141 8.2536 8.2536 8.3906 8.3906 8.4801 8.4801 8.5825 8.5825 8.6696 8.6696 8.7876 8.7876 8.8635 8.8635 9.1470 9.1470 k = 0.0000-0.3330-0.1723 ( 14492 PWs) bands (ev): -54.0878 -54.0878 -54.0675 -54.0675 -29.9524 -29.9524 -29.9001 -29.9001 -27.5514 -27.5514 -27.4537 -27.4537 -27.3878 -27.3878 -27.3671 -27.3671 -7.5850 -7.5850 -7.4301 -7.4301 -6.5509 -6.5509 -5.5979 -5.5979 -5.2448 -5.2448 -5.1663 -5.1663 -3.6610 -3.6610 -3.4676 -3.4676 -3.2721 -3.2721 -2.7840 -2.7840 1.1206 1.1206 1.5570 1.5570 1.9843 1.9843 2.0670 2.0670 2.2490 2.2490 2.3871 2.3871 3.0137 3.0137 3.1405 3.1405 3.2660 3.2660 3.4300 3.4300 3.7772 3.7772 3.8723 3.8723 3.9967 3.9967 4.1960 4.1960 4.4925 4.4925 4.5413 4.5413 4.7678 4.7678 4.9387 4.9387 5.0876 5.0876 5.1767 5.1767 5.3017 5.3017 5.3912 5.3912 5.6015 5.6015 5.6956 5.6956 5.9366 5.9366 6.4143 6.4143 6.4897 6.4897 7.6267 7.6267 8.2776 8.2776 8.3844 8.3844 8.4772 8.4772 8.5770 8.5770 8.6601 8.6601 8.7946 8.7946 8.8651 8.8651 9.1431 9.1431 k = 0.0000-0.3145-0.1627 ( 14493 PWs) bands (ev): -54.0878 -54.0878 -54.0675 -54.0675 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3878 -27.3878 -27.3671 -27.3671 -7.5903 -7.5903 -7.4291 -7.4291 -6.5443 -6.5443 -5.5936 -5.5936 -5.2466 -5.2466 -5.1651 -5.1651 -3.6621 -3.6621 -3.4755 -3.4755 -3.2650 -3.2650 -2.7923 -2.7923 1.1259 1.1259 1.5322 1.5322 1.9795 1.9795 2.0832 2.0832 2.2353 2.2353 2.4045 2.4045 3.0074 3.0074 3.1329 3.1329 3.2636 3.2636 3.4401 3.4401 3.7790 3.7790 3.8865 3.8865 4.0003 4.0003 4.1954 4.1954 4.4964 4.4964 4.5709 4.5709 4.7817 4.7817 4.9328 4.9328 5.0746 5.0746 5.1670 5.1670 5.2916 5.2916 5.3756 5.3756 5.6022 5.6022 5.7055 5.7055 5.9502 5.9502 6.4101 6.4101 6.4927 6.4927 7.6427 7.6427 8.2912 8.2912 8.3727 8.3727 8.4821 8.4821 8.5714 8.5714 8.6550 8.6550 8.8053 8.8053 8.8666 8.8666 9.1382 9.1382 k = 0.0000-0.2960-0.1531 ( 14496 PWs) bands (ev): -54.0878 -54.0878 -54.0675 -54.0675 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.5961 -7.5961 -7.4281 -7.4281 -6.5371 -6.5371 -5.5889 -5.5889 -5.2485 -5.2485 -5.1639 -5.1639 -3.6632 -3.6632 -3.4836 -3.4836 -3.2579 -3.2579 -2.8015 -2.8015 1.1315 1.1315 1.5053 1.5053 1.9730 1.9730 2.1015 2.1015 2.2268 2.2268 2.4240 2.4240 2.9894 2.9894 3.1167 3.1167 3.2706 3.2706 3.4547 3.4547 3.7795 3.7795 3.9003 3.9003 4.0102 4.0102 4.1971 4.1971 4.4964 4.4964 4.6038 4.6038 4.7895 4.7895 4.9265 4.9265 5.0616 5.0616 5.1592 5.1592 5.2822 5.2822 5.3620 5.3620 5.6013 5.6013 5.7166 5.7166 5.9646 5.9646 6.4051 6.4051 6.4960 6.4960 7.6620 7.6620 8.2868 8.2868 8.3615 8.3615 8.4937 8.4937 8.5660 8.5660 8.6546 8.6546 8.8190 8.8190 8.8703 8.8703 9.1320 9.1320 k = 0.0000-0.2775-0.1435 ( 14501 PWs) bands (ev): -54.0878 -54.0878 -54.0675 -54.0675 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6022 -7.6022 -7.4271 -7.4271 -6.5293 -6.5293 -5.5838 -5.5838 -5.2505 -5.2505 -5.1626 -5.1626 -3.6640 -3.6640 -3.4916 -3.4916 -3.2512 -3.2512 -2.8116 -2.8116 1.1374 1.1374 1.4770 1.4770 1.9644 1.9644 2.1215 2.1215 2.2253 2.2253 2.4446 2.4446 2.9606 2.9606 3.0967 3.0967 3.2830 3.2830 3.4718 3.4718 3.7795 3.7795 3.9132 3.9132 4.0250 4.0250 4.2011 4.2011 4.4957 4.4957 4.6364 4.6364 4.7874 4.7874 4.9220 4.9220 5.0521 5.0521 5.1531 5.1531 5.2720 5.2720 5.3522 5.3522 5.5993 5.5993 5.7280 5.7280 5.9797 5.9797 6.3993 6.3993 6.4995 6.4995 7.6843 7.6843 8.2618 8.2618 8.3576 8.3576 8.5062 8.5062 8.5615 8.5615 8.6578 8.6578 8.8297 8.8297 8.8840 8.8840 9.1245 9.1245 k = 0.0000-0.2590-0.1340 ( 14506 PWs) bands (ev): -54.0878 -54.0878 -54.0675 -54.0675 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6085 -7.6085 -7.4260 -7.4260 -6.5213 -6.5213 -5.5784 -5.5784 -5.2527 -5.2527 -5.1612 -5.1612 -3.6646 -3.6646 -3.4994 -3.4994 -3.2449 -3.2449 -2.8224 -2.8224 1.1433 1.1433 1.4480 1.4480 1.9544 1.9544 2.1421 2.1421 2.2315 2.2315 2.4654 2.4654 2.9236 2.9236 3.0752 3.0752 3.2980 3.2980 3.4894 3.4894 3.7794 3.7794 3.9248 3.9248 4.0426 4.0426 4.2076 4.2076 4.4944 4.4944 4.6672 4.6672 4.7744 4.7744 4.9212 4.9212 5.0484 5.0484 5.1482 5.1482 5.2606 5.2606 5.3466 5.3466 5.5963 5.5963 5.7391 5.7391 5.9951 5.9951 6.3928 6.3928 6.5029 6.5029 7.7096 7.7096 8.2247 8.2247 8.3581 8.3581 8.5143 8.5143 8.5592 8.5592 8.6628 8.6628 8.8310 8.8310 8.9145 8.9145 9.1158 9.1158 k = 0.0000-0.2405-0.1244 ( 14505 PWs) bands (ev): -54.0878 -54.0878 -54.0675 -54.0675 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6150 -7.6150 -7.4249 -7.4249 -6.5130 -6.5130 -5.5728 -5.5728 -5.2549 -5.2549 -5.1598 -5.1598 -3.6650 -3.6650 -3.5069 -3.5069 -3.2390 -3.2390 -2.8338 -2.8338 1.1491 1.1491 1.4189 1.4189 1.9439 1.9439 2.1624 2.1624 2.2456 2.2456 2.4853 2.4853 2.8818 2.8818 3.0529 3.0529 3.3144 3.3144 3.5064 3.5064 3.7794 3.7794 3.9345 3.9345 4.0609 4.0609 4.2172 4.2172 4.4920 4.4920 4.6922 4.6922 4.7576 4.7576 4.9233 4.9233 5.0505 5.0505 5.1438 5.1438 5.2494 5.2494 5.3446 5.3446 5.5926 5.5926 5.7494 5.7494 6.0105 6.0105 6.3856 6.3856 6.5057 6.5057 7.7373 7.7373 8.1827 8.1827 8.3596 8.3596 8.5161 8.5161 8.5600 8.5600 8.6676 8.6676 8.8258 8.8258 8.9577 8.9577 9.1064 9.1064 k = 0.0000-0.2220-0.1148 ( 14500 PWs) bands (ev): -54.0878 -54.0878 -54.0675 -54.0675 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6214 -7.6214 -7.4239 -7.4239 -6.5047 -6.5047 -5.5671 -5.5671 -5.2571 -5.2571 -5.1585 -5.1585 -3.6651 -3.6651 -3.5139 -3.5139 -3.2338 -3.2338 -2.8455 -2.8455 1.1548 1.1548 1.3903 1.3903 1.9336 1.9336 2.1818 2.1818 2.2670 2.2670 2.5031 2.5031 2.8380 2.8380 3.0301 3.0301 3.3317 3.3317 3.5221 3.5221 3.7792 3.7792 3.9414 3.9414 4.0776 4.0776 4.2298 4.2298 4.4876 4.4876 4.6963 4.6963 4.7580 4.7580 4.9265 4.9265 5.0568 5.0568 5.1396 5.1396 5.2401 5.2401 5.3451 5.3451 5.5882 5.5882 5.7587 5.7587 6.0253 6.0253 6.3780 6.3780 6.5076 6.5076 7.7669 7.7669 8.1399 8.1399 8.3609 8.3609 8.5132 8.5132 8.5627 8.5627 8.6712 8.6712 8.8176 8.8176 9.0075 9.0075 9.0976 9.0976 k = 0.0000-0.2035-0.1053 ( 14506 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6277 -7.6277 -7.4228 -7.4228 -6.4965 -6.4965 -5.5615 -5.5615 -5.2594 -5.2594 -5.1571 -5.1571 -3.6649 -3.6649 -3.5204 -3.5204 -3.2292 -3.2292 -2.8575 -2.8575 1.1602 1.1602 1.3627 1.3627 1.9246 1.9246 2.2006 2.2006 2.2939 2.2939 2.5177 2.5177 2.7948 2.7948 3.0069 3.0069 3.3499 3.3499 3.5363 3.5363 3.7788 3.7788 3.9449 3.9449 4.0906 4.0906 4.2449 4.2449 4.4806 4.4806 4.6798 4.6798 4.7799 4.7799 4.9297 4.9297 5.0649 5.0649 5.1367 5.1367 5.2340 5.2340 5.3475 5.3475 5.5832 5.5832 5.7672 5.7672 6.0387 6.0387 6.3702 6.3702 6.5082 6.5082 7.7978 7.7978 8.0988 8.0988 8.3616 8.3616 8.5080 8.5080 8.5657 8.5657 8.6733 8.6733 8.8077 8.8077 9.0542 9.0542 9.0957 9.0957 k = 0.0000-0.1850-0.0957 ( 14508 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6338 -7.6338 -7.4218 -7.4218 -6.4885 -6.4885 -5.5559 -5.5559 -5.2616 -5.2616 -5.1558 -5.1558 -3.6644 -3.6644 -3.5263 -3.5263 -3.2253 -3.2253 -2.8695 -2.8695 1.1652 1.1652 1.3365 1.3365 1.9175 1.9175 2.2193 2.2193 2.3244 2.3244 2.5272 2.5272 2.7551 2.7551 2.9836 2.9836 3.3693 3.3693 3.5490 3.5490 3.7781 3.7781 3.9450 3.9450 4.0981 4.0981 4.2605 4.2605 4.4719 4.4719 4.6625 4.6625 4.8059 4.8059 4.9333 4.9333 5.0715 5.0715 5.1369 5.1369 5.2317 5.2317 5.3514 5.3514 5.5777 5.5777 5.7747 5.7747 6.0500 6.0500 6.3624 6.3624 6.5070 6.5070 7.8292 7.8292 8.0613 8.0613 8.3612 8.3612 8.5020 8.5020 8.5684 8.5684 8.6740 8.6740 8.7970 8.7970 9.0663 9.0663 9.1298 9.1298 k = 0.0000-0.1665-0.0861 ( 14507 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6396 -7.6396 -7.4209 -7.4209 -6.4809 -6.4809 -5.5505 -5.5505 -5.2637 -5.2637 -5.1545 -5.1545 -3.6638 -3.6638 -3.5315 -3.5315 -3.2219 -3.2219 -2.8813 -2.8813 1.1699 1.1699 1.3121 1.3121 1.9125 1.9125 2.2380 2.2380 2.3562 2.3562 2.5298 2.5298 2.7219 2.7219 2.9605 2.9605 3.3898 3.3898 3.5601 3.5601 3.7775 3.7775 3.9419 3.9419 4.0987 4.0987 4.2737 4.2737 4.4639 4.4639 4.6508 4.6508 4.8291 4.8291 4.9388 4.9388 5.0742 5.0742 5.1421 5.1421 5.2331 5.2331 5.3570 5.3570 5.5716 5.5716 5.7816 5.7816 6.0583 6.0583 6.3550 6.3550 6.5040 6.5040 7.8599 7.8599 8.0291 8.0291 8.3596 8.3596 8.4957 8.4957 8.5705 8.5705 8.6738 8.6738 8.7858 8.7858 9.0611 9.0611 9.1806 9.1806 k = 0.0000-0.1480-0.0766 ( 14505 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6449 -7.6449 -7.4200 -7.4200 -6.4737 -6.4737 -5.5455 -5.5455 -5.2657 -5.2657 -5.1533 -5.1533 -3.6631 -3.6631 -3.5360 -3.5360 -3.2192 -3.2192 -2.8927 -2.8927 1.1741 1.1741 1.2897 1.2897 1.9100 1.9100 2.2567 2.2567 2.3865 2.3865 2.5249 2.5249 2.6982 2.6982 2.9379 2.9379 3.4115 3.4115 3.5692 3.5692 3.7772 3.7772 3.9366 3.9366 4.0922 4.0922 4.2816 4.2816 4.4590 4.4590 4.6465 4.6465 4.8462 4.8462 4.9470 4.9470 5.0737 5.0737 5.1514 5.1514 5.2383 5.2383 5.3644 5.3644 5.5653 5.5653 5.7882 5.7882 6.0627 6.0627 6.3482 6.3482 6.4992 6.4992 7.8881 7.8881 8.0042 8.0042 8.3564 8.3564 8.4894 8.4894 8.5724 8.5724 8.6728 8.6728 8.7748 8.7748 9.0553 9.0553 9.2295 9.2295 k = 0.0000-0.1295-0.0670 ( 14506 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6499 -7.6499 -7.4192 -7.4192 -6.4670 -6.4670 -5.5407 -5.5407 -5.2675 -5.2675 -5.1522 -5.1522 -3.6622 -3.6622 -3.5397 -3.5397 -3.2170 -3.2170 -2.9035 -2.9035 1.1778 1.1778 1.2695 1.2695 1.9099 1.9099 2.2750 2.2750 2.4101 2.4101 2.5170 2.5170 2.6843 2.6843 2.9162 2.9162 3.4337 3.4337 3.5762 3.5762 3.7778 3.7778 3.9298 3.9298 4.0793 4.0793 4.2827 4.2827 4.4575 4.4575 4.6500 4.6500 4.8559 4.8559 4.9572 4.9572 5.0723 5.0723 5.1621 5.1621 5.2473 5.2473 5.3738 5.3738 5.5591 5.5591 5.7946 5.7946 6.0626 6.0626 6.3421 6.3421 6.4929 6.4929 7.9097 7.9097 7.9904 7.9904 8.3516 8.3516 8.4829 8.4829 8.5741 8.5741 8.6717 8.6717 8.7642 8.7642 9.0509 9.0509 9.2723 9.2724 k = 0.0000-0.1110-0.0574 ( 14508 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6543 -7.6543 -7.4185 -7.4185 -6.4611 -6.4611 -5.5365 -5.5365 -5.2692 -5.2692 -5.1512 -5.1512 -3.6614 -3.6614 -3.5427 -3.5427 -3.2153 -3.2153 -2.9134 -2.9134 1.1810 1.1810 1.2518 1.2518 1.9121 1.9121 2.2924 2.2924 2.4175 2.4175 2.5180 2.5180 2.6777 2.6777 2.8958 2.8958 3.4555 3.4555 3.5807 3.5807 3.7800 3.7800 3.9227 3.9227 4.0623 4.0623 4.2772 4.2772 4.4579 4.4579 4.6613 4.6613 4.8598 4.8598 4.9664 4.9664 5.0722 5.0722 5.1717 5.1717 5.2596 5.2596 5.3850 5.3850 5.5539 5.5539 5.8012 5.8012 6.0573 6.0573 6.3371 6.3371 6.4855 6.4855 7.9188 7.9188 7.9927 7.9927 8.3456 8.3456 8.4762 8.4762 8.5759 8.5759 8.6706 8.6706 8.7542 8.7542 9.0482 9.0482 9.3067 9.3067 k = 0.0000-0.0925-0.0478 ( 14508 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6581 -7.6581 -7.4179 -7.4179 -6.4559 -6.4559 -5.5328 -5.5328 -5.2707 -5.2707 -5.1503 -5.1503 -3.6607 -3.6607 -3.5450 -3.5450 -3.2141 -3.2141 -2.9223 -2.9223 1.1837 1.1837 1.2366 1.2366 1.9161 1.9161 2.3078 2.3078 2.4065 2.4065 2.5338 2.5338 2.6750 2.6750 2.8774 2.8774 3.4758 3.4758 3.5827 3.5827 3.7839 3.7839 3.9163 3.9163 4.0438 4.0438 4.2660 4.2660 4.4586 4.4586 4.6789 4.6789 4.8597 4.8597 4.9719 4.9719 5.0743 5.0743 5.1792 5.1792 5.2743 5.2743 5.3968 5.3968 5.5507 5.5507 5.8085 5.8085 6.0468 6.0468 6.3333 6.3333 6.4779 6.4779 7.9174 7.9174 8.0080 8.0080 8.3387 8.3387 8.4693 8.4693 8.5779 8.5779 8.6698 8.6698 8.7452 8.7452 9.0470 9.0470 9.3310 9.3310 k = 0.0000-0.0740-0.0383 ( 14514 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6613 -7.6613 -7.4174 -7.4174 -6.4516 -6.4516 -5.5296 -5.5296 -5.2719 -5.2719 -5.1496 -5.1496 -3.6601 -3.6601 -3.5467 -3.5467 -3.2132 -3.2132 -2.9299 -2.9299 1.1860 1.1860 1.2241 1.2241 1.9213 1.9213 2.3195 2.3195 2.3889 2.3889 2.5562 2.5562 2.6734 2.6734 2.8617 2.8617 3.4931 3.4931 3.5829 3.5829 3.7891 3.7891 3.9119 3.9119 4.0262 4.0262 4.2507 4.2507 4.4594 4.4594 4.7005 4.7005 4.8570 4.8570 4.9731 4.9731 5.0780 5.0780 5.1846 5.1846 5.2897 5.2897 5.4069 5.4069 5.5511 5.5511 5.8166 5.8166 6.0316 6.0316 6.3306 6.3306 6.4706 6.4706 7.9134 7.9134 8.0268 8.0268 8.3317 8.3317 8.4624 8.4624 8.5800 8.5800 8.6692 8.6692 8.7375 8.7375 9.0470 9.0470 9.3460 9.3460 k = 0.0000-0.0555-0.0287 ( 14523 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6638 -7.6638 -7.4170 -7.4170 -6.4481 -6.4481 -5.5271 -5.5271 -5.2729 -5.2729 -5.1490 -5.1490 -3.6596 -3.6596 -3.5479 -3.5479 -3.2126 -3.2126 -2.9360 -2.9360 1.1878 1.1878 1.2142 1.2142 1.9270 1.9270 2.3242 2.3242 2.3754 2.3754 2.5787 2.5787 2.6712 2.6712 2.8494 2.8494 3.5060 3.5060 3.5823 3.5823 3.7943 3.7943 3.9107 3.9107 4.0112 4.0112 4.2333 4.2333 4.4601 4.4601 4.7233 4.7233 4.8526 4.8526 4.9712 4.9712 5.0822 5.0822 5.1882 5.1882 5.3043 5.3043 5.4132 5.4132 5.5557 5.5557 5.8258 5.8258 6.0131 6.0131 6.3288 6.3288 6.4644 6.4644 7.9102 7.9102 8.0441 8.0441 8.3253 8.3253 8.4560 8.4560 8.5820 8.5820 8.6690 8.6690 8.7311 8.7311 9.0477 9.0477 9.3555 9.3555 k = 0.0000-0.0370-0.0191 ( 14515 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6656 -7.6656 -7.4167 -7.4167 -6.4456 -6.4456 -5.5253 -5.5253 -5.2736 -5.2736 -5.1486 -5.1486 -3.6592 -3.6592 -3.5486 -3.5486 -3.2122 -3.2122 -2.9405 -2.9405 1.1891 1.1891 1.2071 1.2071 1.9321 1.9321 2.3205 2.3205 2.3712 2.3712 2.5985 2.5985 2.6672 2.6672 2.8410 2.8410 3.5139 3.5139 3.5821 3.5821 3.7982 3.7982 3.9129 3.9129 3.9997 3.9997 4.2169 4.2169 4.4609 4.4609 4.7442 4.7442 4.8469 4.8469 4.9681 4.9681 5.0858 5.0858 5.1905 5.1905 5.3167 5.3167 5.4150 5.4150 5.5631 5.5631 5.8357 5.8357 5.9939 5.9939 6.3278 6.3278 6.4596 6.4596 7.9084 7.9084 8.0575 8.0575 8.3201 8.3201 8.4507 8.4507 8.5837 8.5837 8.6689 8.6689 8.7264 8.7264 9.0486 9.0486 9.3621 9.3622 k = 0.0000-0.0185-0.0096 ( 14524 PWs) bands (ev): -54.0878 -54.0878 -54.0677 -54.0677 -29.9525 -29.9525 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6667 -7.6667 -7.4165 -7.4165 -6.4441 -6.4441 -5.5242 -5.5242 -5.2741 -5.2741 -5.1484 -5.1484 -3.6590 -3.6590 -3.5490 -3.5490 -3.2120 -3.2120 -2.9432 -2.9432 1.1900 1.1900 1.2027 1.2027 1.9357 1.9357 2.3142 2.3142 2.3720 2.3720 2.6133 2.6133 2.6621 2.6621 2.8362 2.8362 3.5177 3.5177 3.5825 3.5825 3.8003 3.8003 3.9164 3.9164 3.9923 3.9923 4.2049 4.2049 4.4614 4.4614 4.7599 4.7599 4.8414 4.8414 4.9654 4.9654 5.0881 5.0881 5.1917 5.1917 5.3254 5.3254 5.4142 5.4142 5.5697 5.5697 5.8443 5.8443 5.9785 5.9785 6.3273 6.3273 6.4566 6.4566 7.9075 7.9075 8.0660 8.0660 8.3168 8.3168 8.4471 8.4471 8.5848 8.5848 8.6689 8.6689 8.7234 8.7234 9.0494 9.0494 9.3664 9.3664 k = 0.0000 0.0000 0.0000 ( 14525 PWs) bands (ev): -54.0878 -54.0878 -54.0677 -54.0677 -29.9525 -29.9525 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6671 -7.6671 -7.4165 -7.4165 -6.4436 -6.4436 -5.5239 -5.5239 -5.2742 -5.2742 -5.1483 -5.1483 -3.6589 -3.6589 -3.5492 -3.5492 -3.2119 -3.2119 -2.9442 -2.9442 1.1903 1.1903 1.2013 1.2013 1.9370 1.9370 2.3114 2.3114 2.3728 2.3728 2.6194 2.6194 2.6592 2.6592 2.8347 2.8347 3.5187 3.5187 3.5828 3.5828 3.8008 3.8008 3.9182 3.9182 3.9897 3.9897 4.2005 4.2005 4.4616 4.4616 4.7661 4.7661 4.8388 4.8388 4.9643 4.9643 5.0889 5.0889 5.1921 5.1921 5.3286 5.3286 5.4135 5.4135 5.5723 5.5723 5.8480 5.8480 5.9724 5.9724 6.3272 6.3272 6.4556 6.4556 7.9073 7.9073 8.0689 8.0689 8.3157 8.3157 8.4459 8.4459 8.5852 8.5852 8.6689 8.6689 8.7224 8.7224 9.0497 9.0497 9.3679 9.3679 k = 0.0000 0.0000 0.0000 ( 14525 PWs) bands (ev): -54.0878 -54.0878 -54.0677 -54.0677 -29.9525 -29.9525 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6671 -7.6671 -7.4165 -7.4165 -6.4436 -6.4436 -5.5239 -5.5239 -5.2742 -5.2742 -5.1483 -5.1483 -3.6589 -3.6589 -3.5492 -3.5492 -3.2119 -3.2119 -2.9442 -2.9442 1.1903 1.1903 1.2013 1.2013 1.9370 1.9370 2.3114 2.3114 2.3728 2.3728 2.6194 2.6194 2.6592 2.6592 2.8347 2.8347 3.5187 3.5187 3.5828 3.5828 3.8008 3.8008 3.9182 3.9182 3.9897 3.9897 4.2005 4.2005 4.4616 4.4616 4.7661 4.7661 4.8388 4.8388 4.9643 4.9643 5.0889 5.0889 5.1921 5.1921 5.3286 5.3286 5.4135 5.4135 5.5723 5.5723 5.8480 5.8480 5.9724 5.9724 6.3272 6.3272 6.4556 6.4556 7.9073 7.9073 8.0689 8.0689 8.3157 8.3157 8.4459 8.4459 8.5852 8.5852 8.6689 8.6689 8.7224 8.7224 9.0497 9.0497 9.3679 9.3679 k = 0.0200 0.0040 0.0073 ( 14517 PWs) bands (ev): -54.0878 -54.0878 -54.0677 -54.0677 -29.9524 -29.9524 -29.9001 -29.9001 -27.5514 -27.5514 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6667 -7.6667 -7.4166 -7.4166 -6.4431 -6.4431 -5.5236 -5.5236 -5.2757 -5.2757 -5.1485 -5.1485 -3.6590 -3.6590 -3.5492 -3.5492 -3.2119 -3.2119 -2.9441 -2.9441 1.1849 1.1849 1.2118 1.2118 1.9346 1.9346 2.3116 2.3116 2.3730 2.3730 2.6149 2.6149 2.6624 2.6624 2.8354 2.8354 3.5161 3.5161 3.5830 3.5830 3.8016 3.8016 3.9188 3.9188 3.9927 3.9927 4.2028 4.2028 4.4623 4.4623 4.7540 4.7540 4.8483 4.8483 4.9637 4.9637 5.0875 5.0875 5.1922 5.1922 5.3260 5.3260 5.4153 5.4153 5.5722 5.5722 5.8459 5.8459 5.9766 5.9766 6.3267 6.3267 6.4524 6.4524 7.9071 7.9071 8.0686 8.0686 8.3156 8.3156 8.4444 8.4444 8.5813 8.5813 8.6711 8.6711 8.7217 8.7217 9.0480 9.0480 9.3584 9.3584 k = 0.0400 0.0080 0.0145 ( 14518 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9002 -29.9002 -27.5513 -27.5513 -27.4537 -27.4537 -27.3879 -27.3879 -27.3673 -27.3673 -7.6657 -7.6657 -7.4171 -7.4171 -6.4414 -6.4414 -5.5226 -5.5226 -5.2803 -5.2803 -5.1491 -5.1491 -3.6591 -3.6591 -3.5495 -3.5495 -3.2120 -3.2120 -2.9439 -2.9439 1.1805 1.1805 1.2315 1.2315 1.9275 1.9275 2.3119 2.3119 2.3736 2.3736 2.6038 2.6038 2.6698 2.6698 2.8378 2.8378 3.5084 3.5084 3.5838 3.5838 3.8038 3.8038 3.9202 3.9202 4.0017 4.0017 4.2096 4.2096 4.4644 4.4644 4.7282 4.7282 4.8662 4.8662 4.9620 4.9620 5.0838 5.0838 5.1923 5.1923 5.3189 5.3189 5.4197 5.4197 5.5718 5.5718 5.8407 5.8407 5.9880 5.9880 6.3253 6.3253 6.4432 6.4432 7.9067 7.9067 8.0677 8.0677 8.3150 8.3150 8.4402 8.4402 8.5705 8.5705 8.6762 8.6762 8.7200 8.7200 9.0432 9.0432 9.3423 9.3423 k = 0.0600 0.0121 0.0218 ( 14516 PWs) bands (ev): -54.0878 -54.0878 -54.0677 -54.0677 -29.9523 -29.9523 -29.9002 -29.9002 -27.5511 -27.5511 -27.4537 -27.4537 -27.3880 -27.3880 -27.3675 -27.3675 -7.6639 -7.6639 -7.4179 -7.4179 -6.4387 -6.4387 -5.5211 -5.5211 -5.2878 -5.2878 -5.1500 -5.1500 -3.6593 -3.6593 -3.5499 -3.5499 -3.2121 -3.2121 -2.9436 -2.9436 1.1801 1.1801 1.2575 1.2575 1.9162 1.9162 2.3119 2.3119 2.3742 2.3742 2.5889 2.5889 2.6790 2.6790 2.8423 2.8423 3.4954 3.4954 3.5853 3.5853 3.8071 3.8071 3.9223 3.9223 4.0170 4.0170 4.2200 4.2200 4.4673 4.4673 4.6989 4.6989 4.8826 4.8826 4.9595 4.9595 5.0782 5.0782 5.1926 5.1926 5.3090 5.3090 5.4249 5.4249 5.5712 5.5712 5.8350 5.8350 6.0037 6.0037 6.3225 6.3225 6.4293 6.4293 7.9059 7.9059 8.0662 8.0662 8.3132 8.3132 8.4334 8.4334 8.5553 8.5553 8.6816 8.6816 8.7182 8.7182 9.0351 9.0351 9.3255 9.3255 k = 0.0800 0.0161 0.0291 ( 14502 PWs) bands (ev): -54.0877 -54.0877 -54.0676 -54.0676 -29.9521 -29.9521 -29.9003 -29.9003 -27.5507 -27.5507 -27.4538 -27.4538 -27.3881 -27.3881 -27.3677 -27.3677 -7.6614 -7.6614 -7.4190 -7.4190 -6.4349 -6.4349 -5.5190 -5.5190 -5.2982 -5.2982 -5.1514 -5.1514 -3.6595 -3.6595 -3.5505 -3.5505 -3.2123 -3.2123 -2.9431 -2.9431 1.1835 1.1835 1.2896 1.2896 1.9011 1.9011 2.3106 2.3106 2.3743 2.3743 2.5727 2.5727 2.6890 2.6890 2.8493 2.8493 3.4782 3.4782 3.5868 3.5868 3.8112 3.8112 3.9247 3.9247 4.0384 4.0384 4.2325 4.2325 4.4707 4.4707 4.6704 4.6704 4.8931 4.8931 4.9569 4.9569 5.0717 5.0717 5.1929 5.1929 5.2973 5.2973 5.4292 5.4292 5.5704 5.5704 5.8305 5.8305 6.0207 6.0207 6.3177 6.3177 6.4131 6.4131 7.9044 7.9044 8.0642 8.0642 8.3094 8.3094 8.4247 8.4247 8.5372 8.5372 8.6843 8.6843 8.7185 8.7185 9.0240 9.0240 9.3092 9.3092 k = 0.1000 0.0201 0.0363 ( 14513 PWs) bands (ev): -54.0877 -54.0877 -54.0677 -54.0677 -29.9520 -29.9520 -29.9005 -29.9005 -27.5503 -27.5503 -27.4538 -27.4538 -27.3881 -27.3881 -27.3681 -27.3681 -7.6583 -7.6583 -7.4205 -7.4205 -6.4299 -6.4299 -5.5163 -5.5163 -5.3114 -5.3114 -5.1532 -5.1532 -3.6598 -3.6598 -3.5513 -3.5513 -3.2125 -3.2125 -2.9425 -2.9425 1.1906 1.1906 1.3281 1.3281 1.8828 1.8828 2.3063 2.3063 2.3736 2.3736 2.5572 2.5572 2.6997 2.6997 2.8585 2.8585 3.4584 3.4584 3.5873 3.5873 3.8155 3.8155 3.9276 3.9276 4.0655 4.0655 4.2451 4.2451 4.4739 4.4739 4.6459 4.6459 4.8955 4.8955 4.9549 4.9549 5.0655 5.0655 5.1932 5.1932 5.2844 5.2844 5.4320 5.4320 5.5696 5.5696 5.8279 5.8279 6.0367 6.0367 6.3102 6.3102 6.3974 6.3974 7.9020 7.9020 8.0617 8.0617 8.3022 8.3022 8.4147 8.4147 8.5176 8.5176 8.6824 8.6824 8.7225 8.7225 9.0103 9.0103 9.2942 9.2942 k = 0.1200 0.0241 0.0436 ( 14511 PWs) bands (ev): -54.0877 -54.0877 -54.0677 -54.0677 -29.9518 -29.9518 -29.9006 -29.9006 -27.5498 -27.5498 -27.4538 -27.4538 -27.3882 -27.3882 -27.3685 -27.3685 -7.6545 -7.6545 -7.4222 -7.4222 -6.4239 -6.4239 -5.5130 -5.5130 -5.3272 -5.3272 -5.1554 -5.1554 -3.6601 -3.6601 -3.5522 -3.5522 -3.2128 -3.2128 -2.9417 -2.9417 1.2010 1.2010 1.3729 1.3729 1.8621 1.8621 2.2966 2.2966 2.3724 2.3724 2.5453 2.5453 2.7108 2.7108 2.8695 2.8695 3.4377 3.4377 3.5861 3.5861 3.8196 3.8196 3.9309 3.9309 4.0972 4.0972 4.2547 4.2547 4.4769 4.4769 4.6279 4.6279 4.8901 4.8901 4.9529 4.9529 5.0599 5.0599 5.1929 5.1929 5.2704 5.2704 5.4332 5.4332 5.5689 5.5689 5.8272 5.8272 6.0492 6.0492 6.3003 6.3003 6.3850 6.3850 7.8985 7.8985 8.0589 8.0589 8.2907 8.2907 8.4036 8.4036 8.4978 8.4978 8.6768 8.6768 8.7294 8.7294 8.9949 8.9949 9.2811 9.2811 k = 0.1400 0.0282 0.0509 ( 14507 PWs) bands (ev): -54.0877 -54.0877 -54.0677 -54.0677 -29.9516 -29.9516 -29.9008 -29.9008 -27.5493 -27.5493 -27.4539 -27.4539 -27.3884 -27.3884 -27.3690 -27.3690 -7.6501 -7.6501 -7.4243 -7.4243 -6.4168 -6.4168 -5.5093 -5.5093 -5.3454 -5.3454 -5.1580 -5.1580 -3.6604 -3.6604 -3.5533 -3.5533 -3.2130 -3.2130 -2.9408 -2.9408 1.2147 1.2147 1.4241 1.4241 1.8397 1.8397 2.2791 2.2791 2.3718 2.3718 2.5389 2.5389 2.7219 2.7219 2.8812 2.8812 3.4181 3.4181 3.5826 3.5826 3.8231 3.8231 3.9348 3.9348 4.1321 4.1321 4.2584 4.2584 4.4808 4.4808 4.6180 4.6180 4.8792 4.8792 4.9497 4.9497 5.0549 5.0549 5.1903 5.1903 5.2565 5.2565 5.4334 5.4334 5.5685 5.5685 5.8276 5.8276 6.0563 6.0563 6.2903 6.2903 6.3767 6.3767 7.8936 7.8936 8.0558 8.0558 8.2745 8.2745 8.3904 8.3904 8.4793 8.4793 8.6688 8.6688 8.7376 8.7376 8.9788 8.9788 9.2701 9.2701 k = 0.1600 0.0322 0.0581 ( 14505 PWs) bands (ev): -54.0876 -54.0876 -54.0678 -54.0678 -29.9514 -29.9514 -29.9010 -29.9010 -27.5486 -27.5486 -27.4539 -27.4539 -27.3885 -27.3885 -27.3695 -27.3695 -7.6451 -7.6451 -7.4267 -7.4267 -6.4085 -6.4085 -5.5051 -5.5051 -5.3658 -5.3658 -5.1610 -5.1610 -3.6607 -3.6607 -3.5545 -3.5545 -3.2133 -3.2133 -2.9397 -2.9397 1.2313 1.2313 1.4815 1.4815 1.8161 1.8161 2.2530 2.2530 2.3726 2.3726 2.5385 2.5385 2.7324 2.7324 2.8928 2.8928 3.4018 3.4018 3.5771 3.5771 3.8256 3.8256 3.9391 3.9391 4.1669 4.1669 4.2557 4.2557 4.4871 4.4871 4.6154 4.6154 4.8654 4.8654 4.9442 4.9442 5.0498 5.0498 5.1816 5.1816 5.2461 5.2461 5.4331 5.4331 5.5684 5.5684 5.8283 5.8283 6.0573 6.0573 6.2831 6.2831 6.3717 6.3717 7.8872 7.8872 8.0525 8.0525 8.2542 8.2542 8.3736 8.3736 8.4640 8.4640 8.6594 8.6594 8.7459 8.7459 8.9634 8.9634 9.2612 9.2612 k = 0.1800 0.0362 0.0654 ( 14504 PWs) bands (ev): -54.0876 -54.0876 -54.0678 -54.0678 -29.9511 -29.9511 -29.9012 -29.9012 -27.5479 -27.5479 -27.4540 -27.4540 -27.3886 -27.3886 -27.3701 -27.3701 -7.6396 -7.6396 -7.4294 -7.4294 -6.3992 -6.3992 -5.5006 -5.5006 -5.3880 -5.3880 -5.1644 -5.1644 -3.6611 -3.6611 -3.5559 -3.5559 -3.2136 -3.2136 -2.9385 -2.9385 1.2509 1.2509 1.5450 1.5450 1.7921 1.7921 2.2195 2.2195 2.3748 2.3748 2.5431 2.5431 2.7412 2.7412 2.9033 2.9033 3.3907 3.3907 3.5700 3.5700 3.8264 3.8264 3.9439 3.9439 4.1914 4.1914 4.2555 4.2555 4.4959 4.4959 4.6178 4.6178 4.8512 4.8512 4.9363 4.9363 5.0439 5.0439 5.1627 5.1627 5.2431 5.2431 5.4334 5.4334 5.5687 5.5687 5.8282 5.8282 6.0533 6.0533 6.2801 6.2801 6.3689 6.3689 7.8794 7.8794 8.0491 8.0491 8.2305 8.2305 8.3520 8.3520 8.4526 8.4526 8.6487 8.6487 8.7538 8.7538 8.9503 8.9503 9.2544 9.2544 k = 0.2000 0.0402 0.0727 ( 14499 PWs) bands (ev): -54.0875 -54.0875 -54.0678 -54.0678 -29.9508 -29.9508 -29.9014 -29.9014 -27.5472 -27.5472 -27.4541 -27.4541 -27.3888 -27.3888 -27.3707 -27.3707 -7.6336 -7.6336 -7.4325 -7.4325 -6.3888 -6.3888 -5.4959 -5.4959 -5.4118 -5.4118 -5.1681 -5.1681 -3.6614 -3.6614 -3.5574 -3.5574 -3.2139 -3.2139 -2.9371 -2.9371 1.2733 1.2733 1.6144 1.6144 1.7681 1.7681 2.1809 2.1809 2.3779 2.3779 2.5513 2.5513 2.7471 2.7471 2.9126 2.9126 3.3863 3.3863 3.5618 3.5618 3.8251 3.8251 3.9487 3.9487 4.1879 4.1879 4.2767 4.2767 4.5051 4.5051 4.6221 4.6221 4.8384 4.8384 4.9262 4.9262 5.0368 5.0368 5.1354 5.1354 5.2469 5.2469 5.4349 5.4349 5.5693 5.5693 5.8268 5.8268 6.0469 6.0469 6.2800 6.2800 6.3673 6.3673 7.8708 7.8708 8.0455 8.0455 8.2047 8.2047 8.3263 8.3263 8.4443 8.4443 8.6369 8.6369 8.7606 8.7606 8.9407 8.9407 9.2495 9.2495 k = 0.2200 0.0442 0.0799 ( 14495 PWs) bands (ev): -54.0875 -54.0875 -54.0679 -54.0679 -29.9505 -29.9505 -29.9017 -29.9017 -27.5464 -27.5464 -27.4542 -27.4542 -27.3890 -27.3890 -27.3713 -27.3713 -7.6272 -7.6272 -7.4358 -7.4358 -6.3774 -6.3774 -5.4919 -5.4919 -5.4361 -5.4361 -5.1723 -5.1723 -3.6616 -3.6616 -3.5590 -3.5590 -3.2142 -3.2142 -2.9357 -2.9357 1.2984 1.2984 1.6889 1.6889 1.7451 1.7451 2.1391 2.1391 2.3811 2.3811 2.5617 2.5617 2.7489 2.7489 2.9210 2.9210 3.3896 3.3896 3.5532 3.5532 3.8215 3.8215 3.9530 3.9530 4.1676 4.1676 4.3096 4.3096 4.5120 4.5120 4.6246 4.6246 4.8285 4.8285 4.9139 4.9139 5.0291 5.0291 5.1047 5.1047 5.2549 5.2549 5.4386 5.4386 5.5703 5.5703 5.8241 5.8241 6.0408 6.0408 6.2808 6.2808 6.3661 6.3661 7.8619 7.8619 8.0418 8.0418 8.1775 8.1775 8.2979 8.2979 8.4373 8.4373 8.6239 8.6239 8.7664 8.7664 8.9351 8.9351 9.2462 9.2462 k = 0.2400 0.0483 0.0872 ( 14489 PWs) bands (ev): -54.0874 -54.0874 -54.0679 -54.0679 -29.9502 -29.9502 -29.9019 -29.9019 -27.5456 -27.5456 -27.4543 -27.4543 -27.3891 -27.3891 -27.3720 -27.3720 -7.6204 -7.6204 -7.4395 -7.4395 -6.3650 -6.3650 -5.4913 -5.4913 -5.4578 -5.4578 -5.1768 -5.1768 -3.6619 -3.6619 -3.5606 -3.5606 -3.2145 -3.2145 -2.9341 -2.9341 1.3261 1.3261 1.7207 1.7207 1.7711 1.7711 2.0956 2.0956 2.3836 2.3836 2.5728 2.5728 2.7464 2.7464 2.9295 2.9295 3.4002 3.4002 3.5453 3.5453 3.8150 3.8150 3.9557 3.9557 4.1446 4.1446 4.3408 4.3408 4.5150 4.5150 4.6204 4.6204 4.8223 4.8223 4.9001 4.9001 5.0209 5.0209 5.0764 5.0764 5.2653 5.2653 5.4450 5.4450 5.5718 5.5718 5.8202 5.8202 6.0366 6.0366 6.2804 6.2804 6.3644 6.3644 7.8537 7.8537 8.0375 8.0375 8.1497 8.1497 8.2688 8.2688 8.4300 8.4300 8.6097 8.6097 8.7716 8.7716 8.9331 8.9331 9.2441 9.2441 k = 0.2600 0.0523 0.0945 ( 14491 PWs) bands (ev): -54.0874 -54.0874 -54.0679 -54.0679 -29.9499 -29.9499 -29.9022 -29.9022 -27.5447 -27.5447 -27.4544 -27.4544 -27.3893 -27.3893 -27.3726 -27.3726 -7.6132 -7.6132 -7.4434 -7.4434 -6.3516 -6.3516 -5.5045 -5.5045 -5.4665 -5.4665 -5.1816 -5.1816 -3.6620 -3.6620 -3.5623 -3.5623 -3.2147 -3.2147 -2.9325 -2.9325 1.3564 1.3564 1.7002 1.7002 1.8555 1.8555 2.0517 2.0517 2.3842 2.3842 2.5828 2.5828 2.7413 2.7413 2.9386 2.9386 3.4167 3.4167 3.5390 3.5390 3.8054 3.8054 3.9553 3.9553 4.1250 4.1250 4.3636 4.3636 4.5125 4.5125 4.6067 4.6067 4.8203 4.8203 4.8868 4.8868 5.0122 5.0122 5.0565 5.0565 5.2768 5.2768 5.4546 5.4546 5.5742 5.5742 5.8159 5.8159 6.0346 6.0346 6.2781 6.2781 6.3612 6.3612 7.8468 7.8468 8.0324 8.0324 8.1223 8.1223 8.2405 8.2405 8.4213 8.4213 8.5943 8.5943 8.7769 8.7769 8.9332 8.9332 9.2425 9.2425 k = 0.2800 0.0563 0.1017 ( 14482 PWs) bands (ev): -54.0873 -54.0873 -54.0680 -54.0680 -29.9496 -29.9496 -29.9024 -29.9024 -27.5439 -27.5439 -27.4545 -27.4545 -27.3895 -27.3895 -27.3733 -27.3733 -7.6058 -7.6058 -7.4477 -7.4477 -6.3374 -6.3374 -5.5294 -5.5294 -5.4639 -5.4639 -5.1866 -5.1866 -3.6622 -3.6622 -3.5641 -3.5641 -3.2150 -3.2150 -2.9308 -2.9308 1.3892 1.3892 1.6809 1.6809 1.9427 1.9427 2.0102 2.0102 2.3815 2.3815 2.5899 2.5899 2.7369 2.7369 2.9482 2.9482 3.4367 3.4367 3.5360 3.5360 3.7923 3.7923 3.9509 3.9509 4.1119 4.1119 4.3720 4.3720 4.4978 4.4978 4.5905 4.5905 4.8214 4.8214 4.8764 4.8764 5.0023 5.0023 5.0484 5.0484 5.2886 5.2886 5.4678 5.4678 5.5779 5.5779 5.8117 5.8117 6.0345 6.0345 6.2732 6.2732 6.3553 6.3553 7.8421 7.8421 8.0256 8.0256 8.0963 8.0963 8.2147 8.2147 8.4104 8.4104 8.5782 8.5782 8.7831 8.7831 8.9332 8.9332 9.2406 9.2406 k = 0.3000 0.0603 0.1090 ( 14467 PWs) bands (ev): -54.0872 -54.0872 -54.0680 -54.0680 -29.9493 -29.9493 -29.9027 -29.9027 -27.5431 -27.5431 -27.4546 -27.4546 -27.3896 -27.3896 -27.3739 -27.3739 -7.5981 -7.5981 -7.4522 -7.4522 -6.3225 -6.3225 -5.5573 -5.5573 -5.4584 -5.4584 -5.1919 -5.1919 -3.6622 -3.6622 -3.5658 -3.5658 -3.2152 -3.2152 -2.9291 -2.9291 1.4242 1.4242 1.6637 1.6637 1.9596 1.9596 2.0440 2.0440 2.3739 2.3739 2.5930 2.5930 2.7372 2.7372 2.9575 2.9575 3.4559 3.4559 3.5389 3.5389 3.7760 3.7760 3.9425 3.9425 4.1063 4.1063 4.3597 4.3597 4.4631 4.4631 4.5865 4.5865 4.8236 4.8236 4.8706 4.8706 4.9935 4.9935 5.0497 5.0497 5.3000 5.3000 5.4845 5.4845 5.5835 5.5835 5.8083 5.8083 6.0356 6.0356 6.2660 6.2660 6.3457 6.3457 7.8401 7.8401 8.0156 8.0156 8.0731 8.0731 8.1934 8.1934 8.3967 8.3967 8.5616 8.5616 8.7898 8.7898 8.9310 8.9310 9.2379 9.2379 k = 0.3200 0.0643 0.1163 ( 14464 PWs) bands (ev): -54.0872 -54.0872 -54.0680 -54.0680 -29.9490 -29.9490 -29.9029 -29.9029 -27.5422 -27.5422 -27.4547 -27.4547 -27.3898 -27.3898 -27.3745 -27.3745 -7.5903 -7.5903 -7.4571 -7.4571 -6.3070 -6.3070 -5.5858 -5.5858 -5.4521 -5.4521 -5.1973 -5.1973 -3.6622 -3.6622 -3.5675 -3.5675 -3.2154 -3.2154 -2.9274 -2.9274 1.4615 1.4615 1.6488 1.6488 1.9195 1.9195 2.1385 2.1385 2.3603 2.3603 2.5929 2.5929 2.7442 2.7442 2.9659 2.9659 3.4698 3.4698 3.5506 3.5506 3.7571 3.7571 3.9318 3.9318 4.1061 4.1061 4.3178 4.3178 4.4248 4.4248 4.5921 4.5921 4.8254 4.8254 4.8695 4.8695 4.9881 4.9881 5.0562 5.0562 5.3109 5.3109 5.5034 5.5034 5.5921 5.5921 5.8062 5.8062 6.0373 6.0373 6.2566 6.2566 6.3320 6.3320 7.8408 7.8408 8.0012 8.0012 8.0541 8.0541 8.1783 8.1783 8.3803 8.3803 8.5453 8.5453 8.7954 8.7954 8.9253 8.9253 9.2351 9.2351 k = 0.3400 0.0684 0.1235 ( 14474 PWs) bands (ev): -54.0871 -54.0871 -54.0681 -54.0681 -29.9487 -29.9487 -29.9031 -29.9031 -27.5415 -27.5415 -27.4549 -27.4549 -27.3900 -27.3900 -27.3751 -27.3751 -7.5824 -7.5824 -7.4622 -7.4622 -6.2912 -6.2912 -5.6142 -5.6142 -5.4457 -5.4457 -5.2028 -5.2028 -3.6622 -3.6622 -3.5691 -3.5691 -3.2156 -3.2156 -2.9257 -2.9257 1.5007 1.5007 1.6366 1.6366 1.8797 1.8797 2.2317 2.2317 2.3442 2.3442 2.5928 2.5928 2.7573 2.7573 2.9726 2.9726 3.4769 3.4769 3.5694 3.5694 3.7379 3.7379 3.9204 3.9204 4.1053 4.1053 4.2497 4.2497 4.3976 4.3976 4.5974 4.5974 4.8278 4.8278 4.8717 4.8717 4.9864 4.9864 5.0643 5.0643 5.3217 5.3217 5.5219 5.5219 5.6054 5.6054 5.8063 5.8063 6.0390 6.0390 6.2450 6.2450 6.3141 6.3141 7.8435 7.8435 7.9834 7.9834 8.0387 8.0387 8.1710 8.1710 8.3613 8.3613 8.5299 8.5299 8.7964 8.7964 8.9172 8.9172 9.2348 9.2348 k = 0.3600 0.0724 0.1308 ( 14474 PWs) bands (ev): -54.0871 -54.0871 -54.0681 -54.0681 -29.9484 -29.9484 -29.9034 -29.9034 -27.5408 -27.5408 -27.4550 -27.4550 -27.3901 -27.3901 -27.3756 -27.3756 -7.5745 -7.5745 -7.4675 -7.4675 -6.2752 -6.2752 -5.6417 -5.6417 -5.4392 -5.4392 -5.2082 -5.2082 -3.6621 -3.6621 -3.5707 -3.5707 -3.2158 -3.2158 -2.9242 -2.9242 1.5417 1.5417 1.6272 1.6272 1.8417 1.8417 2.2774 2.2774 2.3696 2.3696 2.5957 2.5957 2.7746 2.7746 2.9771 2.9771 3.4797 3.4797 3.5884 3.5884 3.7227 3.7227 3.9092 3.9092 4.0830 4.0830 4.1885 4.1885 4.3776 4.3776 4.5967 4.5967 4.8322 4.8322 4.8756 4.8756 4.9875 4.9875 5.0720 5.0720 5.3329 5.3329 5.5368 5.5368 5.6250 5.6250 5.8096 5.8096 6.0400 6.0400 6.2312 6.2312 6.2928 6.2928 7.8472 7.8472 7.9653 7.9653 8.0253 8.0253 8.1720 8.1720 8.3408 8.3408 8.5156 8.5156 8.7870 8.7870 8.9111 8.9111 9.2394 9.2394 k = 0.3800 0.0764 0.1381 ( 14472 PWs) bands (ev): -54.0871 -54.0871 -54.0681 -54.0681 -29.9482 -29.9482 -29.9036 -29.9036 -27.5401 -27.5401 -27.4551 -27.4551 -27.3902 -27.3902 -27.3761 -27.3761 -7.5666 -7.5666 -7.4731 -7.4731 -6.2596 -6.2596 -5.6679 -5.6679 -5.4330 -5.4330 -5.2134 -5.2134 -3.6620 -3.6620 -3.5721 -3.5721 -3.2159 -3.2159 -2.9227 -2.9227 1.5838 1.5838 1.6213 1.6213 1.8061 1.8061 2.2516 2.2516 2.4573 2.4573 2.6059 2.6059 2.7946 2.7946 2.9794 2.9794 3.4798 3.4798 3.5983 3.5983 3.7182 3.7182 3.8968 3.8968 4.0110 4.0110 4.1718 4.1718 4.3620 4.3620 4.5885 4.5885 4.8393 4.8393 4.8807 4.8807 4.9894 4.9894 5.0782 5.0782 5.3452 5.3452 5.5460 5.5460 5.6506 5.6506 5.8170 5.8170 6.0398 6.0398 6.2150 6.2150 6.2697 6.2697 7.8498 7.8498 7.9501 7.9501 8.0130 8.0130 8.1806 8.1806 8.3202 8.3202 8.5028 8.5028 8.7637 8.7637 8.9113 8.9113 9.2491 9.2491 k = 0.4000 0.0804 0.1453 ( 14467 PWs) bands (ev): -54.0870 -54.0870 -54.0682 -54.0682 -29.9480 -29.9480 -29.9037 -29.9037 -27.5395 -27.5395 -27.4552 -27.4552 -27.3904 -27.3904 -27.3765 -27.3765 -7.5588 -7.5588 -7.4788 -7.4788 -6.2447 -6.2447 -5.6919 -5.6919 -5.4273 -5.4273 -5.2183 -5.2183 -3.6618 -3.6618 -3.5734 -3.5734 -3.2160 -3.2160 -2.9215 -2.9215 1.6151 1.6151 1.6301 1.6301 1.7732 1.7732 2.2116 2.2116 2.5352 2.5352 2.6387 2.6387 2.8162 2.8162 2.9798 2.9798 3.4763 3.4763 3.5943 3.5943 3.7281 3.7281 3.8723 3.8723 3.9285 3.9285 4.1761 4.1761 4.3510 4.3510 4.5737 4.5737 4.8478 4.8478 4.8871 4.8871 4.9901 4.9901 5.0828 5.0828 5.3588 5.3588 5.5496 5.5496 5.6797 5.6797 5.8293 5.8293 6.0378 6.0378 6.1953 6.1953 6.2472 6.2472 7.8495 7.8495 7.9404 7.9404 8.0020 8.0020 8.1943 8.1943 8.3026 8.3026 8.4911 8.4911 8.7285 8.7285 8.9171 8.9171 9.2630 9.2630 k = 0.4200 0.0845 0.1526 ( 14477 PWs) bands (ev): -54.0870 -54.0870 -54.0682 -54.0682 -29.9478 -29.9478 -29.9039 -29.9039 -27.5390 -27.5390 -27.4553 -27.4553 -27.3905 -27.3905 -27.3769 -27.3769 -7.5513 -7.5513 -7.4847 -7.4847 -6.2310 -6.2310 -5.7133 -5.7133 -5.4222 -5.4222 -5.2226 -5.2226 -3.6617 -3.6617 -3.5744 -3.5744 -3.2161 -3.2161 -2.9204 -2.9204 1.6168 1.6168 1.6715 1.6715 1.7435 1.7435 2.1679 2.1679 2.5702 2.5702 2.7154 2.7154 2.8393 2.8393 2.9797 2.9797 3.4659 3.4659 3.5815 3.5815 3.7443 3.7443 3.8010 3.8010 3.8947 3.8947 4.1834 4.1834 4.3457 4.3457 4.5543 4.5543 4.8562 4.8562 4.8951 4.8951 4.9882 4.9882 5.0865 5.0865 5.3736 5.3736 5.5484 5.5484 5.7094 5.7094 5.8463 5.8463 6.0338 6.0338 6.1715 6.1715 6.2282 6.2282 7.8454 7.8454 7.9367 7.9367 7.9930 7.9930 8.2072 8.2072 8.2941 8.2941 8.4802 8.4802 8.6868 8.6868 8.9254 8.9254 9.2788 9.2789 k = 0.4400 0.0885 0.1599 ( 14470 PWs) bands (ev): -54.0870 -54.0870 -54.0682 -54.0682 -29.9477 -29.9477 -29.9040 -29.9040 -27.5386 -27.5386 -27.4554 -27.4554 -27.3905 -27.3905 -27.3772 -27.3772 -7.5442 -7.5442 -7.4904 -7.4904 -6.2193 -6.2193 -5.7311 -5.7311 -5.4180 -5.4180 -5.2263 -5.2263 -3.6616 -3.6616 -3.5753 -3.5753 -3.2162 -3.2162 -2.9195 -2.9195 1.6204 1.6204 1.7059 1.7059 1.7241 1.7241 2.1242 2.1242 2.5831 2.5831 2.8027 2.8027 2.8682 2.8682 2.9840 2.9840 3.4400 3.4400 3.5667 3.5667 3.7063 3.7063 3.7785 3.7785 3.8809 3.8809 4.1892 4.1892 4.3467 4.3467 4.5330 4.5330 4.8635 4.8635 4.9045 4.9045 4.9830 4.9830 5.0895 5.0895 5.3885 5.3885 5.5438 5.5438 5.7371 5.7371 5.8666 5.8666 6.0282 6.0282 6.1448 6.1448 6.2141 6.2141 7.8392 7.8392 7.9371 7.9371 7.9863 7.9863 8.2103 8.2103 8.3037 8.3037 8.4688 8.4688 8.6435 8.6435 8.9336 8.9336 9.2932 9.2932 k = 0.4600 0.0925 0.1671 ( 14478 PWs) bands (ev): -54.0870 -54.0870 -54.0683 -54.0683 -29.9476 -29.9476 -29.9041 -29.9041 -27.5384 -27.5384 -27.4555 -27.4555 -27.3906 -27.3906 -27.3774 -27.3774 -7.5378 -7.5378 -7.4958 -7.4958 -6.2103 -6.2103 -5.7445 -5.7445 -5.4148 -5.4148 -5.2290 -5.2290 -3.6615 -3.6615 -3.5759 -3.5759 -3.2163 -3.2163 -2.9188 -2.9188 1.6273 1.6273 1.6900 1.6900 1.7543 1.7543 2.0844 2.0844 2.5897 2.5897 2.8529 2.8529 2.9096 2.9096 3.0153 3.0153 3.3863 3.3863 3.5542 3.5542 3.6486 3.6486 3.7992 3.7992 3.8685 3.8685 4.1924 4.1924 4.3528 4.3528 4.5126 4.5126 4.8692 4.8692 4.9144 4.9144 4.9753 4.9753 5.0920 5.0920 5.4022 5.4022 5.5373 5.5373 5.7604 5.7604 5.8870 5.8870 6.0226 6.0226 6.1184 6.1184 6.2045 6.2045 7.8331 7.8331 7.9389 7.9389 7.9822 7.9822 8.2046 8.2046 8.3302 8.3302 8.4548 8.4548 8.6045 8.6045 8.9404 8.9404 9.3016 9.3016 k = 0.4800 0.0965 0.1744 ( 14468 PWs) bands (ev): -54.0869 -54.0869 -54.0683 -54.0683 -29.9475 -29.9475 -29.9041 -29.9041 -27.5382 -27.5382 -27.4555 -27.4555 -27.3906 -27.3906 -27.3775 -27.3775 -7.5330 -7.5330 -7.5000 -7.5000 -6.2045 -6.2045 -5.7530 -5.7530 -5.4128 -5.4128 -5.2308 -5.2308 -3.6615 -3.6615 -3.5763 -3.5763 -3.2163 -3.2163 -2.9184 -2.9184 1.6373 1.6373 1.6703 1.6703 1.7825 1.7825 2.0544 2.0544 2.5933 2.5933 2.8723 2.8723 2.9259 2.9259 3.0986 3.0986 3.3031 3.3031 3.5462 3.5462 3.6189 3.6189 3.8198 3.8198 3.8549 3.8549 4.1937 4.1937 4.3602 4.3602 4.4969 4.4969 4.8728 4.8728 4.9233 4.9233 4.9672 4.9672 5.0937 5.0937 5.4122 5.4122 5.5315 5.5315 5.7763 5.7763 5.9027 5.9027 6.0191 6.0191 6.0974 6.0974 6.1989 6.1989 7.8288 7.8288 7.9403 7.9403 7.9803 7.9803 8.1983 8.1983 8.3638 8.3638 8.4350 8.4350 8.5768 8.5768 8.9448 8.9448 9.3047 9.3047 k = 0.5000 0.1005 0.1817 ( 14470 PWs) bands (ev): -54.0869 -54.0869 -54.0683 -54.0683 -29.9475 -29.9475 -29.9042 -29.9042 -27.5381 -27.5381 -27.4555 -27.4555 -27.3907 -27.3907 -27.3775 -27.3775 -7.5311 -7.5311 -7.5017 -7.5017 -6.2025 -6.2025 -5.7559 -5.7559 -5.4121 -5.4121 -5.2314 -5.2314 -3.6614 -3.6614 -3.5764 -3.5764 -3.2163 -3.2163 -2.9183 -2.9183 1.6466 1.6466 1.6576 1.6576 1.7937 1.7937 2.0427 2.0427 2.5945 2.5945 2.8785 2.8785 2.9274 2.9274 3.1908 3.1908 3.2135 3.2135 3.5435 3.5435 3.6106 3.6106 3.8352 3.8352 3.8420 3.8420 4.1939 4.1939 4.3636 4.3636 4.4907 4.4907 4.8740 4.8740 4.9275 4.9275 4.9633 4.9633 5.0943 5.0943 5.4161 5.4161 5.5291 5.5291 5.7821 5.7821 5.9086 5.9086 6.0183 6.0183 6.0888 6.0888 6.1971 6.1971 7.8273 7.8273 7.9408 7.9408 7.9798 7.9798 8.1957 8.1957 8.3881 8.3881 8.4162 8.4162 8.5668 8.5668 8.9463 8.9463 9.3055 9.3055 k = 0.5000-0.3434-0.0480 ( 14452 PWs) bands (ev): -54.0869 -54.0869 -54.0682 -54.0682 -29.9475 -29.9475 -29.9042 -29.9042 -27.5381 -27.5381 -27.4555 -27.4555 -27.3906 -27.3906 -27.3776 -27.3776 -7.5284 -7.5284 -7.4799 -7.4799 -6.2167 -6.2167 -5.6844 -5.6844 -5.4716 -5.4716 -5.3208 -5.3208 -3.7440 -3.7440 -3.4991 -3.4991 -3.2791 -3.2791 -2.7626 -2.7626 1.6686 1.6686 1.7303 1.7303 1.8981 1.8981 2.3834 2.3834 2.5754 2.5754 2.6499 2.6499 2.9015 2.9015 3.1648 3.1648 3.1964 3.1964 3.4761 3.4761 3.5947 3.5947 3.7212 3.7212 3.8104 3.8104 4.0938 4.0938 4.5253 4.5253 4.6414 4.6414 4.8402 4.8402 4.8567 4.8567 4.9682 4.9682 4.9733 4.9733 5.2578 5.2578 5.4840 5.4840 5.6828 5.6828 5.8616 5.8616 5.9622 5.9622 6.0458 6.0458 6.2466 6.2466 7.7029 7.7029 7.8524 7.8524 8.1492 8.1492 8.3836 8.3836 8.4962 8.4962 8.5765 8.5765 8.6889 8.6889 8.8286 8.8286 9.0448 9.0448 k = 0.4828-0.3316-0.0463 ( 14457 PWs) bands (ev): -54.0869 -54.0869 -54.0683 -54.0683 -29.9475 -29.9475 -29.9041 -29.9041 -27.5382 -27.5382 -27.4555 -27.4555 -27.3906 -27.3906 -27.3775 -27.3775 -7.5292 -7.5292 -7.4792 -7.4792 -6.2180 -6.2180 -5.6826 -5.6826 -5.4719 -5.4719 -5.3201 -5.3201 -3.7438 -3.7438 -3.4994 -3.4994 -3.2787 -3.2787 -2.7630 -2.7630 1.6666 1.6666 1.7309 1.7309 1.8980 1.8980 2.3812 2.3812 2.5725 2.5725 2.6546 2.6546 2.8997 2.8997 3.0974 3.0974 3.2585 3.2585 3.4818 3.4818 3.5982 3.5982 3.7211 3.7211 3.8128 3.8128 4.0950 4.0950 4.5258 4.5258 4.6394 4.6394 4.8378 4.8378 4.8581 4.8581 4.9646 4.9646 4.9770 4.9770 5.2550 5.2550 5.4848 5.4848 5.6840 5.6840 5.8491 5.8491 5.9682 5.9682 6.0487 6.0487 6.2506 6.2506 7.7040 7.7040 7.8538 7.8538 8.1469 8.1469 8.3802 8.3802 8.5018 8.5018 8.5772 8.5772 8.6879 8.6879 8.8286 8.8286 9.0411 9.0411 k = 0.4655-0.3197-0.0447 ( 14456 PWs) bands (ev): -54.0869 -54.0869 -54.0683 -54.0683 -29.9475 -29.9475 -29.9041 -29.9041 -27.5383 -27.5383 -27.4554 -27.4554 -27.3906 -27.3906 -27.3774 -27.3774 -7.5316 -7.5316 -7.4775 -7.4775 -6.2217 -6.2217 -5.6772 -5.6772 -5.4731 -5.4731 -5.3178 -5.3178 -3.7432 -3.7432 -3.5005 -3.5005 -3.2777 -3.2777 -2.7644 -2.7644 1.6613 1.6613 1.7314 1.7314 1.8985 1.8985 2.3748 2.3748 2.5644 2.5644 2.6670 2.6670 2.8903 2.8903 3.0250 3.0250 3.3135 3.3135 3.5042 3.5042 3.6087 3.6087 3.7224 3.7224 3.8196 3.8196 4.0984 4.0984 4.5272 4.5272 4.6339 4.6339 4.8320 4.8320 4.8605 4.8605 4.9603 4.9603 4.9816 4.9816 5.2469 5.2469 5.4868 5.4868 5.6874 5.6874 5.8192 5.8192 5.9792 5.9792 6.0574 6.0574 6.2621 6.2621 7.7074 7.7074 7.8577 7.8577 8.1401 8.1401 8.3721 8.3721 8.5154 8.5154 8.5801 8.5801 8.6853 8.6853 8.8286 8.8286 9.0321 9.0321 k = 0.4483-0.3079-0.0430 ( 14456 PWs) bands (ev): -54.0869 -54.0869 -54.0682 -54.0682 -29.9476 -29.9476 -29.9040 -29.9040 -27.5385 -27.5385 -27.4554 -27.4554 -27.3906 -27.3906 -27.3773 -27.3773 -7.5353 -7.5353 -7.4749 -7.4749 -6.2277 -6.2277 -5.6686 -5.6686 -5.4749 -5.4749 -5.3142 -5.3142 -3.7422 -3.7422 -3.5022 -3.5022 -3.2760 -3.2760 -2.7667 -2.7667 1.6539 1.6539 1.7293 1.7293 1.9013 1.9013 2.3650 2.3650 2.5506 2.5506 2.6831 2.6831 2.8596 2.8596 2.9808 2.9808 3.3382 3.3382 3.5409 3.5409 3.6306 3.6306 3.7294 3.7294 3.8307 3.8307 4.1035 4.1035 4.5294 4.5294 4.6254 4.6254 4.8237 4.8237 4.8620 4.8620 4.9577 4.9577 4.9856 4.9856 5.2346 5.2346 5.4896 5.4896 5.6919 5.6919 5.7820 5.7820 5.9883 5.9883 6.0713 6.0713 6.2796 6.2796 7.7129 7.7129 7.8639 7.8639 8.1296 8.1296 8.3634 8.3634 8.5298 8.5298 8.5875 8.5875 8.6818 8.6818 8.8288 8.8288 9.0209 9.0209 k = 0.4310-0.2960-0.0414 ( 14462 PWs) bands (ev): -54.0869 -54.0869 -54.0682 -54.0682 -29.9477 -29.9477 -29.9039 -29.9039 -27.5388 -27.5388 -27.4553 -27.4553 -27.3905 -27.3905 -27.3771 -27.3771 -7.5399 -7.5399 -7.4718 -7.4718 -6.2357 -6.2357 -5.6569 -5.6569 -5.4773 -5.4773 -5.3094 -5.3094 -3.7408 -3.7408 -3.5044 -3.5044 -3.2737 -3.2737 -2.7698 -2.7698 1.6449 1.6449 1.7229 1.7229 1.9086 1.9086 2.3528 2.3528 2.5289 2.5289 2.6967 2.6967 2.8118 2.8118 2.9702 2.9702 3.3415 3.3415 3.5615 3.5615 3.6766 3.6766 3.7478 3.7478 3.8469 3.8469 4.1097 4.1097 4.5324 4.5324 4.6153 4.6153 4.8128 4.8128 4.8620 4.8620 4.9560 4.9560 4.9897 4.9897 5.2194 5.2194 5.4925 5.4925 5.6920 5.6920 5.7472 5.7472 5.9939 5.9939 6.0890 6.0890 6.3010 6.3010 7.7206 7.7206 7.8718 7.8718 8.1167 8.1167 8.3563 8.3563 8.5386 8.5386 8.6016 8.6016 8.6789 8.6789 8.8292 8.8292 9.0094 9.0094 k = 0.4138-0.2842-0.0397 ( 14464 PWs) bands (ev): -54.0870 -54.0870 -54.0682 -54.0682 -29.9479 -29.9479 -29.9038 -29.9038 -27.5392 -27.5392 -27.4553 -27.4553 -27.3904 -27.3904 -27.3768 -27.3768 -7.5453 -7.5453 -7.4684 -7.4684 -6.2454 -6.2454 -5.6426 -5.6426 -5.4801 -5.4801 -5.3034 -5.3034 -3.7390 -3.7390 -3.5072 -3.5072 -3.2710 -3.2710 -2.7738 -2.7738 1.6341 1.6341 1.7126 1.7126 1.9210 1.9210 2.3386 2.3386 2.4950 2.4950 2.6917 2.6917 2.7838 2.7838 2.9756 2.9756 3.3357 3.3357 3.5600 3.5600 3.7267 3.7267 3.7850 3.7850 3.8728 3.8728 4.1166 4.1166 4.5356 4.5356 4.6047 4.6047 4.7987 4.7987 4.8609 4.8609 4.9535 4.9535 4.9959 4.9959 5.2026 5.2026 5.4952 5.4952 5.6699 5.6699 5.7347 5.7347 5.9967 5.9967 6.1090 6.1090 6.3243 6.3243 7.7303 7.7303 7.8806 7.8806 8.1031 8.1031 8.3516 8.3516 8.5409 8.5409 8.6191 8.6191 8.6795 8.6795 8.8306 8.8306 8.9983 8.9983 k = 0.3966-0.2724-0.0381 ( 14472 PWs) bands (ev): -54.0870 -54.0870 -54.0682 -54.0682 -29.9480 -29.9480 -29.9037 -29.9037 -27.5396 -27.5396 -27.4552 -27.4552 -27.3903 -27.3903 -27.3765 -27.3765 -7.5512 -7.5512 -7.4648 -7.4648 -6.2563 -6.2563 -5.6260 -5.6260 -5.4832 -5.4832 -5.2966 -5.2966 -3.7368 -3.7368 -3.5104 -3.5104 -3.2678 -3.2678 -2.7786 -2.7786 1.6200 1.6200 1.7010 1.7010 1.9382 1.9382 2.3222 2.3222 2.4474 2.4474 2.6646 2.6646 2.7901 2.7901 2.9878 2.9878 3.3269 3.3269 3.5485 3.5485 3.7606 3.7606 3.8291 3.8291 3.9203 3.9203 4.1245 4.1245 4.5383 4.5383 4.5950 4.5950 4.7817 4.7817 4.8595 4.8595 4.9487 4.9487 5.0051 5.0051 5.1853 5.1853 5.4970 5.4970 5.6299 5.6299 5.7417 5.7417 5.9977 5.9977 6.1302 6.1302 6.3478 6.3478 7.7417 7.7417 7.8890 7.8890 8.0911 8.0911 8.3492 8.3492 8.5390 8.5390 8.6325 8.6325 8.6876 8.6876 8.8334 8.8334 8.9881 8.9881 k = 0.3793-0.2605-0.0364 ( 14470 PWs) bands (ev): -54.0870 -54.0870 -54.0682 -54.0682 -29.9482 -29.9482 -29.9036 -29.9036 -27.5401 -27.5401 -27.4551 -27.4551 -27.3902 -27.3902 -27.3761 -27.3761 -7.5575 -7.5575 -7.4611 -7.4611 -6.2682 -6.2682 -5.6077 -5.6077 -5.4865 -5.4865 -5.2890 -5.2890 -3.7343 -3.7343 -3.5138 -3.5138 -3.2643 -3.2643 -2.7843 -2.7843 1.6010 1.6010 1.6914 1.6914 1.9589 1.9589 2.3003 2.3003 2.3923 2.3923 2.6367 2.6367 2.8087 2.8087 3.0033 3.0033 3.3179 3.3179 3.5330 3.5330 3.7875 3.7875 3.8600 3.8600 3.9885 3.9885 4.1349 4.1349 4.5391 4.5391 4.5883 4.5883 4.7621 4.7621 4.8582 4.8582 4.9422 4.9422 5.0169 5.0169 5.1688 5.1688 5.4970 5.4970 5.5877 5.5877 5.7543 5.7543 5.9976 5.9976 6.1519 6.1519 6.3701 6.3701 7.7545 7.7545 7.8959 7.8959 8.0831 8.0831 8.3487 8.3487 8.5348 8.5348 8.6382 8.6382 8.7040 8.7040 8.8387 8.8387 8.9787 8.9787 k = 0.3621-0.2487-0.0348 ( 14478 PWs) bands (ev): -54.0871 -54.0871 -54.0682 -54.0682 -29.9484 -29.9484 -29.9034 -29.9034 -27.5407 -27.5407 -27.4550 -27.4550 -27.3901 -27.3901 -27.3757 -27.3757 -7.5640 -7.5640 -7.4575 -7.4575 -6.2807 -6.2807 -5.5880 -5.5880 -5.4898 -5.4898 -5.2808 -5.2808 -3.7314 -3.7314 -3.5174 -3.5174 -3.2605 -3.2605 -2.7906 -2.7906 1.5765 1.5765 1.6859 1.6859 1.9814 1.9814 2.2625 2.2625 2.3469 2.3469 2.6134 2.6134 2.8290 2.8290 3.0201 3.0201 3.3108 3.3108 3.5166 3.5166 3.8110 3.8110 3.8834 3.8834 4.0558 4.0558 4.1533 4.1533 4.5365 4.5365 4.5860 4.5860 4.7412 4.7412 4.8574 4.8574 4.9354 4.9354 5.0301 5.0301 5.1540 5.1540 5.4921 5.4921 5.5503 5.5503 5.7687 5.7687 5.9969 5.9969 6.1733 6.1733 6.3902 6.3902 7.7683 7.7683 7.9002 7.9002 8.0809 8.0809 8.3500 8.3500 8.5292 8.5292 8.6399 8.6399 8.7224 8.7224 8.8474 8.8474 8.9704 8.9704 k = 0.3448-0.2368-0.0331 ( 14482 PWs) bands (ev): -54.0871 -54.0871 -54.0681 -54.0681 -29.9486 -29.9486 -29.9032 -29.9032 -27.5413 -27.5413 -27.4549 -27.4549 -27.3900 -27.3900 -27.3752 -27.3752 -7.5708 -7.5708 -7.4540 -7.4540 -6.2935 -6.2935 -5.5673 -5.5673 -5.4931 -5.4931 -5.2721 -5.2721 -3.7282 -3.7282 -3.5211 -3.5211 -3.2567 -3.2567 -2.7977 -2.7977 1.5479 1.5479 1.6846 1.6846 2.0033 2.0033 2.2047 2.2047 2.3224 2.3224 2.5932 2.5932 2.8476 2.8476 3.0358 3.0358 3.3071 3.3071 3.5009 3.5009 3.8315 3.8315 3.9032 3.9032 4.1019 4.1019 4.1907 4.1907 4.5304 4.5304 4.5879 4.5879 4.7208 4.7208 4.8575 4.8575 4.9294 4.9294 5.0435 5.0435 5.1423 5.1423 5.4743 5.4743 5.5271 5.5271 5.7840 5.7840 5.9960 5.9960 6.1938 6.1938 6.4074 6.4074 7.7824 7.7824 7.9022 7.9022 8.0855 8.0855 8.3524 8.3524 8.5230 8.5230 8.6409 8.6409 8.7383 8.7383 8.8598 8.8598 8.9637 8.9637 k = 0.3276-0.2250-0.0315 ( 14484 PWs) bands (ev): -54.0872 -54.0872 -54.0681 -54.0681 -29.9489 -29.9489 -29.9030 -29.9030 -27.5420 -27.5420 -27.4548 -27.4548 -27.3899 -27.3899 -27.3748 -27.3748 -7.5778 -7.5778 -7.4505 -7.4505 -6.3064 -6.3064 -5.5460 -5.5460 -5.4963 -5.4963 -5.2632 -5.2632 -3.7246 -3.7246 -3.5248 -3.5248 -3.2527 -3.2527 -2.8054 -2.8054 1.5166 1.5166 1.6868 1.6868 2.0175 2.0175 2.1455 2.1455 2.3099 2.3099 2.5746 2.5746 2.8632 2.8632 3.0478 3.0478 3.3089 3.3089 3.4872 3.4872 3.8485 3.8485 3.9195 3.9195 4.1276 4.1276 4.2408 4.2408 4.5226 4.5226 4.5920 4.5920 4.7037 4.7037 4.8594 4.8594 4.9252 4.9252 5.0553 5.0553 5.1357 5.1357 5.4444 5.4444 5.5184 5.5184 5.7996 5.7996 5.9955 5.9955 6.2129 6.2129 6.4211 6.4211 7.7958 7.7958 7.9035 7.9035 8.0963 8.0963 8.3558 8.3558 8.5168 8.5168 8.6423 8.6423 8.7498 8.7498 8.8743 8.8743 8.9602 8.9602 k = 0.3103-0.2131-0.0298 ( 14496 PWs) bands (ev): -54.0872 -54.0872 -54.0681 -54.0681 -29.9491 -29.9491 -29.9028 -29.9028 -27.5427 -27.5427 -27.4547 -27.4547 -27.3897 -27.3897 -27.3742 -27.3742 -7.5848 -7.5848 -7.4472 -7.4472 -6.3192 -6.3192 -5.5244 -5.5244 -5.4993 -5.4993 -5.2540 -5.2540 -3.7208 -3.7208 -3.5284 -3.5284 -3.2488 -3.2488 -2.8137 -2.8137 1.4841 1.4841 1.6918 1.6918 2.0009 2.0009 2.1150 2.1150 2.3035 2.3035 2.5567 2.5567 2.8751 2.8751 3.0539 3.0539 3.3177 3.3177 3.4761 3.4761 3.8614 3.8614 3.9316 3.9316 4.1483 4.1483 4.2835 4.2835 4.5142 4.5142 4.5965 4.5965 4.6933 4.6933 4.8644 4.8644 4.9233 4.9233 5.0636 5.0636 5.1364 5.1364 5.4129 5.4129 5.5144 5.5144 5.8151 5.8151 5.9956 5.9956 6.2302 6.2302 6.4310 6.4310 7.8074 7.8074 7.9065 7.9065 8.1117 8.1117 8.3599 8.3599 8.5112 8.5112 8.6444 8.6444 8.7573 8.7573 8.8872 8.8872 8.9624 8.9624 k = 0.2931-0.2013-0.0281 ( 14489 PWs) bands (ev): -54.0873 -54.0873 -54.0680 -54.0680 -29.9494 -29.9494 -29.9026 -29.9026 -27.5434 -27.5434 -27.4546 -27.4546 -27.3896 -27.3896 -27.3737 -27.3737 -7.5919 -7.5919 -7.4441 -7.4441 -6.3318 -6.3318 -5.5054 -5.5054 -5.4992 -5.4992 -5.2448 -5.2448 -3.7167 -3.7167 -3.5318 -3.5318 -3.2449 -3.2449 -2.8225 -2.8225 1.4512 1.4512 1.6990 1.6990 1.9466 1.9466 2.1224 2.1224 2.3021 2.3021 2.5394 2.5394 2.8829 2.8829 3.0530 3.0530 3.3339 3.3339 3.4680 3.4680 3.8695 3.8695 3.9403 3.9403 4.1696 4.1696 4.3087 4.3087 4.5046 4.5046 4.6021 4.6021 4.6907 4.6907 4.8741 4.8741 4.9246 4.9246 5.0682 5.0682 5.1451 5.1451 5.3842 5.3842 5.5110 5.5110 5.8303 5.8303 5.9967 5.9967 6.2453 6.2453 6.4368 6.4368 7.8165 7.8165 7.9132 7.9132 8.1303 8.1303 8.3644 8.3644 8.5063 8.5063 8.6472 8.6472 8.7615 8.7615 8.8950 8.8950 8.9727 8.9727 k = 0.2759-0.1895-0.0265 ( 14495 PWs) bands (ev): -54.0873 -54.0873 -54.0680 -54.0680 -29.9497 -29.9497 -29.9024 -29.9024 -27.5441 -27.5441 -27.4545 -27.4545 -27.3895 -27.3895 -27.3731 -27.3731 -7.5989 -7.5989 -7.4410 -7.4410 -6.3439 -6.3439 -5.5057 -5.5057 -5.4798 -5.4798 -5.2355 -5.2355 -3.7124 -3.7124 -3.5350 -3.5350 -3.2411 -3.2411 -2.8317 -2.8317 1.4187 1.4187 1.7076 1.7076 1.8815 1.8815 2.1415 2.1415 2.3058 2.3058 2.5225 2.5225 2.8864 2.8864 3.0456 3.0456 3.3566 3.3566 3.4632 3.4632 3.8718 3.8718 3.9468 3.9468 4.1909 4.1909 4.3163 4.3163 4.4917 4.4917 4.6116 4.6116 4.6924 4.6924 4.8889 4.8889 4.9303 4.9303 5.0708 5.0708 5.1597 5.1597 5.3602 5.3602 5.5074 5.5074 5.8446 5.8446 5.9995 5.9995 6.2581 6.2581 6.4386 6.4386 7.8232 7.8232 7.9241 7.9241 8.1507 8.1507 8.3693 8.3693 8.5024 8.5024 8.6504 8.6504 8.7633 8.7633 8.8982 8.8982 8.9902 8.9902 k = 0.2586-0.1776-0.0248 ( 14497 PWs) bands (ev): -54.0874 -54.0874 -54.0680 -54.0680 -29.9499 -29.9499 -29.9021 -29.9021 -27.5448 -27.5448 -27.4544 -27.4544 -27.3893 -27.3893 -27.3726 -27.3726 -7.6058 -7.6058 -7.4382 -7.4382 -6.3556 -6.3556 -5.5081 -5.5081 -5.4585 -5.4585 -5.2264 -5.2264 -3.7080 -3.7080 -3.5379 -3.5379 -3.2375 -3.2375 -2.8412 -2.8412 1.3871 1.3871 1.7153 1.7153 1.8182 1.8182 2.1615 2.1615 2.3153 2.3153 2.5061 2.5061 2.8855 2.8855 3.0334 3.0334 3.3835 3.3835 3.4617 3.4617 3.8685 3.8685 3.9520 3.9520 4.2083 4.2083 4.3139 4.3139 4.4753 4.4753 4.6249 4.6249 4.6943 4.6943 4.9056 4.9056 4.9433 4.9433 5.0734 5.0734 5.1779 5.1779 5.3419 5.3419 5.5034 5.5034 5.8577 5.8577 6.0044 6.0044 6.2686 6.2686 6.4366 6.4366 7.8286 7.8286 7.9384 7.9384 8.1719 8.1719 8.3747 8.3747 8.4993 8.4993 8.6540 8.6540 8.7631 8.7631 8.9000 8.9000 9.0114 9.0114 k = 0.2414-0.1658-0.0232 ( 14504 PWs) bands (ev): -54.0874 -54.0874 -54.0679 -54.0679 -29.9502 -29.9502 -29.9019 -29.9019 -27.5455 -27.5455 -27.4543 -27.4543 -27.3892 -27.3892 -27.3720 -27.3720 -7.6126 -7.6126 -7.4354 -7.4354 -6.3667 -6.3667 -5.5104 -5.5104 -5.4376 -5.4376 -5.2175 -5.2175 -3.7033 -3.7033 -3.5405 -3.5405 -3.2341 -3.2341 -2.8509 -2.8509 1.3568 1.3568 1.7095 1.7095 1.7717 1.7717 2.1792 2.1792 2.3305 2.3305 2.4904 2.4904 2.8803 2.8803 3.0180 3.0180 3.4116 3.4116 3.4643 3.4643 3.8609 3.8609 3.9556 3.9556 4.2144 4.2144 4.3130 4.3130 4.4571 4.4571 4.6383 4.6383 4.6960 4.6960 4.9192 4.9192 4.9655 4.9655 5.0772 5.0772 5.1974 5.1974 5.3302 5.3302 5.4990 5.4990 5.8687 5.8687 6.0119 6.0119 6.2768 6.2768 6.4313 6.4313 7.8339 7.8339 7.9546 7.9546 8.1930 8.1930 8.3807 8.3807 8.4968 8.4968 8.6577 8.6577 8.7613 8.7613 8.9030 8.9030 9.0341 9.0341 k = 0.2241-0.1539-0.0215 ( 14512 PWs) bands (ev): -54.0875 -54.0875 -54.0679 -54.0679 -29.9505 -29.9505 -29.9017 -29.9017 -27.5462 -27.5462 -27.4542 -27.4542 -27.3890 -27.3890 -27.3715 -27.3715 -7.6192 -7.6192 -7.4329 -7.4329 -6.3771 -6.3771 -5.5125 -5.5125 -5.4174 -5.4174 -5.2088 -5.2088 -3.6987 -3.6987 -3.5428 -3.5428 -3.2309 -3.2309 -2.8607 -2.8607 1.3282 1.3282 1.6668 1.6668 1.7663 1.7663 2.1943 2.1943 2.3507 2.3507 2.4756 2.4756 2.8710 2.8710 3.0008 3.0008 3.4360 3.4360 3.4740 3.4740 3.8503 3.8503 3.9573 3.9573 4.2043 4.2043 4.3204 4.3204 4.4400 4.4400 4.6459 4.6459 4.7022 4.7022 4.9300 4.9300 4.9919 4.9919 5.0822 5.0822 5.2159 5.2159 5.3267 5.3267 5.4946 5.4946 5.8769 5.8769 6.0224 6.0224 6.2830 6.2830 6.4233 6.4233 7.8398 7.8398 7.9715 7.9715 8.2135 8.2135 8.3875 8.3875 8.4947 8.4947 8.6610 8.6610 8.7583 8.7583 8.9084 8.9084 9.0575 9.0575 k = 0.2069-0.1421-0.0199 ( 14521 PWs) bands (ev): -54.0875 -54.0875 -54.0679 -54.0679 -29.9507 -29.9507 -29.9015 -29.9015 -27.5469 -27.5469 -27.4541 -27.4541 -27.3889 -27.3889 -27.3709 -27.3709 -7.6256 -7.6256 -7.4305 -7.4305 -6.3869 -6.3869 -5.5144 -5.5144 -5.3980 -5.3980 -5.2005 -5.2005 -3.6940 -3.6940 -3.5447 -3.5447 -3.2280 -3.2280 -2.8706 -2.8706 1.3015 1.3015 1.6113 1.6113 1.7781 1.7781 2.2073 2.2073 2.3739 2.3739 2.4624 2.4624 2.8580 2.8580 2.9829 2.9829 3.4508 3.4508 3.4945 3.4945 3.8383 3.8383 3.9564 3.9564 4.1832 4.1832 4.3303 4.3303 4.4281 4.4281 4.6451 4.6451 4.7165 4.7165 4.9400 4.9400 5.0165 5.0165 5.0889 5.0889 5.2313 5.2313 5.3323 5.3323 5.4905 5.4905 5.8819 5.8819 6.0355 6.0355 6.2878 6.2878 6.4137 6.4137 7.8466 7.8466 7.9882 7.9882 8.2327 8.2327 8.3955 8.3955 8.4927 8.4927 8.6636 8.6636 8.7548 8.7548 8.9166 8.9166 9.0812 9.0812 k = 0.1897-0.1303-0.0182 ( 14525 PWs) bands (ev): -54.0876 -54.0876 -54.0679 -54.0679 -29.9510 -29.9510 -29.9013 -29.9013 -27.5476 -27.5476 -27.4541 -27.4541 -27.3887 -27.3887 -27.3704 -27.3704 -7.6316 -7.6316 -7.4283 -7.4283 -6.3959 -6.3959 -5.5161 -5.5161 -5.3797 -5.3797 -5.1927 -5.1927 -3.6893 -3.6893 -3.5463 -3.5463 -3.2253 -3.2253 -2.8803 -2.8803 1.2770 1.2770 1.5564 1.5564 1.7939 1.7939 2.2192 2.2192 2.3964 2.3964 2.4531 2.4531 2.8419 2.8419 2.9647 2.9647 3.4596 3.4596 3.5207 3.5207 3.8260 3.8260 3.9528 3.9528 4.1576 4.1576 4.3328 4.3328 4.4262 4.4262 4.6396 4.6396 4.7360 4.7360 4.9497 4.9497 5.0357 5.0357 5.0977 5.0977 5.2428 5.2428 5.3459 5.3459 5.4873 5.4873 5.8835 5.8835 6.0499 6.0499 6.2916 6.2916 6.4035 6.4035 7.8539 7.8539 8.0039 8.0039 8.2500 8.2500 8.4049 8.4049 8.4911 8.4911 8.6654 8.6654 8.7515 8.7515 8.9274 8.9274 9.1054 9.1054 k = 0.1724-0.1184-0.0166 ( 14520 PWs) bands (ev): -54.0876 -54.0876 -54.0678 -54.0678 -29.9512 -29.9512 -29.9011 -29.9011 -27.5482 -27.5482 -27.4540 -27.4540 -27.3886 -27.3886 -27.3699 -27.3699 -7.6373 -7.6373 -7.4263 -7.4263 -6.4042 -6.4042 -5.5176 -5.5176 -5.3625 -5.3625 -5.1853 -5.1853 -3.6848 -3.6848 -3.5476 -3.5476 -3.2228 -3.2228 -2.8898 -2.8898 1.2548 1.2548 1.5042 1.5042 1.8111 1.8111 2.2308 2.2308 2.4091 2.4091 2.4554 2.4554 2.8236 2.8236 2.9466 2.9466 3.4669 3.4669 3.5463 3.5463 3.8149 3.8149 3.9465 3.9465 4.1313 4.1313 4.3247 4.3247 4.4347 4.4347 4.6344 4.6344 4.7574 4.7574 4.9590 4.9590 5.0482 5.0482 5.1092 5.1092 5.2520 5.2520 5.3641 5.3641 5.4857 5.4857 5.8819 5.8819 6.0633 6.0633 6.2955 6.2955 6.3942 6.3942 7.8617 7.8617 8.0183 8.0183 8.2652 8.2652 8.4153 8.4153 8.4903 8.4903 8.6661 8.6661 8.7488 8.7488 8.9401 8.9401 9.1303 9.1303 k = 0.1552-0.1066-0.0149 ( 14517 PWs) bands (ev): -54.0876 -54.0876 -54.0678 -54.0678 -29.9514 -29.9514 -29.9009 -29.9009 -27.5488 -27.5488 -27.4539 -27.4539 -27.3885 -27.3885 -27.3694 -27.3694 -7.6427 -7.6427 -7.4245 -7.4245 -6.4117 -6.4117 -5.5189 -5.5189 -5.3465 -5.3465 -5.1785 -5.1785 -3.6804 -3.6804 -3.5485 -3.5485 -3.2206 -3.2206 -2.8989 -2.8989 1.2352 1.2352 1.4556 1.4556 1.8291 1.8291 2.2426 2.2426 2.4064 2.4064 2.4740 2.4740 2.8038 2.8038 2.9286 2.9286 3.4740 3.4740 3.5683 3.5683 3.8062 3.8062 3.9381 3.9381 4.1061 4.1061 4.3102 4.3102 4.4473 4.4473 4.6324 4.6324 4.7785 4.7785 4.9677 4.9677 5.0548 5.0548 5.1226 5.1226 5.2604 5.2604 5.3825 5.3825 5.4868 5.4868 5.8778 5.8778 6.0729 6.0729 6.3003 6.3003 6.3874 6.3874 7.8695 7.8695 8.0309 8.0309 8.2779 8.2779 8.4258 8.4258 8.4917 8.4917 8.6658 8.6658 8.7468 8.7468 8.9542 8.9542 9.1561 9.1561 k = 0.1379-0.0947-0.0132 ( 14518 PWs) bands (ev): -54.0877 -54.0877 -54.0678 -54.0678 -29.9516 -29.9516 -29.9008 -29.9008 -27.5493 -27.5493 -27.4539 -27.4539 -27.3884 -27.3884 -27.3689 -27.3689 -7.6476 -7.6476 -7.4228 -7.4228 -6.4184 -6.4184 -5.5200 -5.5200 -5.3319 -5.3319 -5.1723 -5.1723 -3.6763 -3.6763 -3.5491 -3.5491 -3.2187 -3.2187 -2.9074 -2.9074 1.2182 1.2182 1.4108 1.4108 1.8471 1.8471 2.2547 2.2547 2.3981 2.3981 2.4983 2.4983 2.7832 2.7832 2.9111 2.9111 3.4812 3.4812 3.5848 3.5848 3.8010 3.8010 3.9284 3.9284 4.0831 4.0831 4.2932 4.2932 4.4584 4.4584 4.6360 4.6360 4.7982 4.7982 4.9751 4.9751 5.0579 5.0579 5.1364 5.1364 5.2691 5.2691 5.3978 5.3978 5.4918 5.4918 5.8718 5.8718 6.0763 6.0763 6.3064 6.3064 6.3846 6.3846 7.8769 7.8769 8.0415 8.0415 8.2882 8.2882 8.4347 8.4347 8.4967 8.4967 8.6650 8.6650 8.7451 8.7451 8.9691 8.9691 9.1827 9.1827 k = 0.1207-0.0829-0.0116 ( 14521 PWs) bands (ev): -54.0877 -54.0877 -54.0677 -54.0677 -29.9518 -29.9518 -29.9006 -29.9006 -27.5498 -27.5498 -27.4538 -27.4538 -27.3883 -27.3883 -27.3685 -27.3685 -7.6520 -7.6520 -7.4213 -7.4213 -6.4243 -6.4243 -5.5210 -5.5210 -5.3188 -5.3188 -5.1668 -5.1668 -3.6725 -3.6725 -3.5495 -3.5495 -3.2170 -3.2170 -2.9154 -2.9154 1.2041 1.2041 1.3699 1.3699 1.8647 1.8647 2.2669 2.2669 2.3892 2.3892 2.5228 2.5228 2.7624 2.7624 2.8944 2.8944 3.4882 3.4882 3.5950 3.5950 3.7998 3.7998 3.9185 3.9185 4.0627 4.0627 4.2757 4.2757 4.4655 4.4655 4.6460 4.6460 4.8153 4.8153 4.9805 4.9805 5.0599 5.0599 5.1496 5.1496 5.2781 5.2781 5.4083 5.4083 5.5014 5.5014 5.8646 5.8646 6.0723 6.0723 6.3128 6.3128 6.3872 6.3872 7.8838 7.8838 8.0501 8.0501 8.2963 8.2963 8.4404 8.4404 8.5066 8.5066 8.6639 8.6639 8.7435 8.7435 8.9841 8.9841 9.2100 9.2100 k = 0.1034-0.0710-0.0099 ( 14524 PWs) bands (ev): -54.0877 -54.0877 -54.0677 -54.0677 -29.9520 -29.9520 -29.9005 -29.9005 -27.5502 -27.5502 -27.4538 -27.4538 -27.3882 -27.3882 -27.3682 -27.3682 -7.6559 -7.6559 -7.4200 -7.4200 -6.4295 -6.4295 -5.5218 -5.5218 -5.3072 -5.3072 -5.1619 -5.1619 -3.6691 -3.6691 -3.5497 -3.5497 -3.2156 -3.2156 -2.9226 -2.9226 1.1929 1.1929 1.3331 1.3331 1.8815 1.8815 2.2789 2.2789 2.3811 2.3811 2.5456 2.5456 2.7419 2.7419 2.8790 2.8790 3.4950 3.4950 3.5992 3.5992 3.8016 3.8016 3.9099 3.9099 4.0450 4.0450 4.2588 4.2588 4.4685 4.4685 4.6619 4.6619 4.8291 4.8291 4.9829 4.9829 5.0626 5.0626 5.1613 5.1613 5.2874 5.2874 5.4141 5.4141 5.5146 5.5146 5.8572 5.8572 6.0616 6.0616 6.3181 6.3181 6.3956 6.3956 7.8899 7.8899 8.0568 8.0568 8.3025 8.3025 8.4432 8.4432 8.5206 8.5206 8.6631 8.6631 8.7414 8.7414 8.9987 8.9987 9.2374 9.2374 k = 0.0862-0.0592-0.0083 ( 14521 PWs) bands (ev): -54.0877 -54.0877 -54.0677 -54.0677 -29.9521 -29.9521 -29.9004 -29.9004 -27.5506 -27.5506 -27.4538 -27.4538 -27.3881 -27.3881 -27.3678 -27.3678 -7.6593 -7.6593 -7.4190 -7.4190 -6.4338 -6.4338 -5.5224 -5.5224 -5.2973 -5.2973 -5.1578 -5.1578 -3.6661 -3.6661 -3.5497 -3.5497 -3.2144 -3.2144 -2.9289 -2.9289 1.1849 1.1849 1.3003 1.3003 1.8969 1.8969 2.2900 2.2900 2.3748 2.3748 2.5659 2.5659 2.7222 2.7222 2.8655 2.8655 3.5014 3.5014 3.5986 3.5986 3.8044 3.8044 3.9044 3.9044 4.0298 4.0298 4.2430 4.2430 4.4686 4.4686 4.6817 4.6817 4.8391 4.8391 4.9821 4.9821 5.0669 5.0669 5.1713 5.1713 5.2968 5.2968 5.4165 5.4165 5.5294 5.5294 5.8508 5.8508 6.0457 6.0457 6.3217 6.3217 6.4083 6.4083 7.8952 7.8952 8.0616 8.0616 8.3071 8.3071 8.4444 8.4444 8.5364 8.5364 8.6627 8.6627 8.7386 8.7386 9.0125 9.0125 9.2645 9.2645 k = 0.0690-0.0474-0.0066 ( 14526 PWs) bands (ev): -54.0878 -54.0878 -54.0677 -54.0677 -29.9522 -29.9522 -29.9003 -29.9003 -27.5509 -27.5509 -27.4538 -27.4538 -27.3880 -27.3880 -27.3676 -27.3676 -7.6620 -7.6620 -7.4181 -7.4181 -6.4373 -6.4373 -5.5230 -5.5230 -5.2891 -5.2891 -5.1544 -5.1544 -3.6635 -3.6635 -3.5496 -3.5496 -3.2135 -3.2135 -2.9343 -2.9343 1.1800 1.1800 1.2716 1.2716 1.9105 1.9105 2.2992 2.2992 2.3709 2.3709 2.5833 2.5833 2.7037 2.7037 2.8542 2.8542 3.5071 3.5071 3.5952 3.5952 3.8059 3.8059 3.9033 3.9033 4.0169 4.0169 4.2289 4.2289 4.4671 4.4671 4.7036 4.7036 4.8449 4.8449 4.9785 4.9785 5.0726 5.0726 5.1793 5.1793 5.3061 5.3061 5.4168 5.4168 5.5437 5.5437 5.8463 5.8463 6.0268 6.0268 6.3240 6.3240 6.4225 6.4225 7.8995 7.8995 8.0649 8.0649 8.3105 8.3105 8.4449 8.4449 8.5520 8.5520 8.6632 8.6632 8.7351 8.7351 9.0248 9.0248 9.2907 9.2907 k = 0.0517-0.0355-0.0050 ( 14521 PWs) bands (ev): -54.0878 -54.0878 -54.0677 -54.0677 -29.9523 -29.9523 -29.9002 -29.9002 -27.5512 -27.5512 -27.4537 -27.4537 -27.3880 -27.3880 -27.3674 -27.3674 -7.6642 -7.6642 -7.4174 -7.4174 -6.4401 -6.4401 -5.5234 -5.5234 -5.2826 -5.2826 -5.1517 -5.1517 -3.6616 -3.6616 -3.5494 -3.5494 -3.2128 -3.2128 -2.9386 -2.9386 1.1785 1.1785 1.2469 1.2469 1.9216 1.9216 2.3057 2.3057 2.3697 2.3697 2.5975 2.5975 2.6871 2.6871 2.8455 2.8455 3.5119 3.5119 3.5907 3.5907 3.8053 3.8053 3.9064 3.9064 4.0061 4.0061 4.2171 4.2171 4.4651 4.4651 4.7255 4.7255 4.8466 4.8466 4.9736 4.9736 5.0787 5.0787 5.1852 5.1852 5.3147 5.3147 5.4161 5.4161 5.5559 5.5559 5.8444 5.8444 6.0073 6.0073 6.3255 6.3255 6.4358 6.4358 7.9029 7.9029 8.0670 8.0670 8.3129 8.3129 8.4453 8.4453 8.5657 8.5657 8.6644 8.6644 8.7310 8.7310 9.0352 9.0352 9.3153 9.3153 k = 0.0345-0.0237-0.0033 ( 14518 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9002 -29.9002 -27.5513 -27.5513 -27.4537 -27.4537 -27.3879 -27.3879 -27.3672 -27.3672 -7.6658 -7.6658 -7.4169 -7.4169 -6.4421 -6.4421 -5.5236 -5.5236 -5.2780 -5.2780 -5.1498 -5.1498 -3.6601 -3.6601 -3.5493 -3.5493 -3.2123 -3.2123 -2.9417 -2.9417 1.1803 1.1803 1.2263 1.2263 1.9300 1.9300 2.3094 2.3094 2.3705 2.3705 2.6087 2.6087 2.6732 2.6732 2.8394 2.8394 3.5156 3.5156 3.5866 3.5866 3.8034 3.8034 3.9116 3.9116 3.9976 3.9976 4.2081 4.2081 4.4633 4.4633 4.7453 4.7453 4.8446 4.8446 4.9688 4.9688 5.0840 5.0840 5.1892 5.1892 5.3219 5.3219 5.4149 5.4149 5.5650 5.5650 5.8450 5.8450 5.9897 5.9897 6.3264 6.3264 6.4465 6.4465 7.9053 7.9053 8.0682 8.0682 8.3145 8.3145 8.4456 8.4456 8.5763 8.5763 8.6663 8.6663 8.7269 8.7269 9.0431 9.0431 9.3378 9.3378 k = 0.0172-0.0118-0.0017 ( 14523 PWs) bands (ev): -54.0878 -54.0878 -54.0677 -54.0677 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6668 -7.6668 -7.4166 -7.4166 -6.4432 -6.4432 -5.5238 -5.5238 -5.2752 -5.2752 -5.1487 -5.1487 -3.6592 -3.6592 -3.5492 -3.5492 -3.2120 -3.2120 -2.9435 -2.9435 1.1852 1.1852 1.2101 1.2101 1.9352 1.9352 2.3110 2.3110 2.3721 2.3721 2.6164 2.6164 2.6631 2.6631 2.8359 2.8359 3.5179 3.5179 3.5838 3.5838 3.8016 3.8016 3.9163 3.9163 3.9918 3.9918 4.2024 4.2024 4.4620 4.4620 4.7602 4.7602 4.8409 4.8409 4.9655 4.9655 5.0876 5.0876 5.1914 5.1914 5.3269 5.3269 5.4139 5.4139 5.5705 5.5705 5.8470 5.8470 5.9771 5.9771 6.3270 6.3270 6.4533 6.4533 7.9068 7.9068 8.0687 8.0687 8.3154 8.3154 8.4458 8.4458 8.5830 8.5830 8.6681 8.6681 8.7237 8.7237 9.0480 9.0480 9.3572 9.3572 k = 0.0000 0.0000 0.0000 ( 14525 PWs) bands (ev): -54.0878 -54.0878 -54.0677 -54.0677 -29.9525 -29.9525 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6671 -7.6671 -7.4165 -7.4165 -6.4436 -6.4436 -5.5239 -5.5239 -5.2742 -5.2742 -5.1483 -5.1483 -3.6589 -3.6589 -3.5492 -3.5492 -3.2119 -3.2119 -2.9442 -2.9442 1.1903 1.1903 1.2013 1.2013 1.9370 1.9370 2.3114 2.3114 2.3728 2.3728 2.6194 2.6194 2.6592 2.6592 2.8347 2.8347 3.5187 3.5187 3.5828 3.5828 3.8008 3.8008 3.9182 3.9182 3.9897 3.9897 4.2005 4.2005 4.4616 4.4616 4.7661 4.7661 4.8388 4.8388 4.9643 4.9643 5.0889 5.0889 5.1921 5.1921 5.3286 5.3286 5.4135 5.4135 5.5723 5.5723 5.8480 5.8480 5.9724 5.9724 6.3272 6.3272 6.4556 6.4556 7.9073 7.9073 8.0689 8.0689 8.3157 8.3157 8.4459 8.4459 8.5852 8.5852 8.6689 8.6689 8.7224 8.7224 9.0497 9.0497 9.3679 9.3679 k = 0.0000 0.0000 0.0000 ( 14525 PWs) bands (ev): -54.0878 -54.0878 -54.0677 -54.0677 -29.9525 -29.9525 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6671 -7.6671 -7.4165 -7.4165 -6.4436 -6.4436 -5.5239 -5.5239 -5.2742 -5.2742 -5.1483 -5.1483 -3.6589 -3.6589 -3.5492 -3.5492 -3.2119 -3.2119 -2.9442 -2.9442 1.1903 1.1903 1.2013 1.2013 1.9370 1.9370 2.3114 2.3114 2.3728 2.3728 2.6194 2.6194 2.6592 2.6592 2.8347 2.8347 3.5187 3.5187 3.5828 3.5828 3.8008 3.8008 3.9182 3.9182 3.9897 3.9897 4.2005 4.2005 4.4616 4.4616 4.7661 4.7661 4.8388 4.8388 4.9643 4.9643 5.0889 5.0889 5.1921 5.1921 5.3286 5.3286 5.4135 5.4135 5.5723 5.5723 5.8480 5.8480 5.9724 5.9724 6.3272 6.3272 6.4556 6.4556 7.9073 7.9073 8.0689 8.0689 8.3157 8.3157 8.4459 8.4459 8.5852 8.5852 8.6689 8.6689 8.7224 8.7224 9.0497 9.0497 9.3679 9.3679 k =-0.0179-0.0036 0.0113 ( 14521 PWs) bands (ev): -54.0878 -54.0878 -54.0677 -54.0677 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6668 -7.6668 -7.4166 -7.4166 -6.4432 -6.4432 -5.5238 -5.5238 -5.2754 -5.2754 -5.1486 -5.1486 -3.6590 -3.6590 -3.5494 -3.5494 -3.2113 -3.2113 -2.9441 -2.9441 1.1882 1.1882 1.2073 1.2073 1.9350 1.9350 2.3092 2.3092 2.3740 2.3740 2.6171 2.6171 2.6621 2.6621 2.8361 2.8361 3.5167 3.5167 3.5833 3.5833 3.8020 3.8020 3.9196 3.9196 3.9913 3.9913 4.2024 4.2024 4.4626 4.4626 4.7516 4.7516 4.8500 4.8500 4.9635 4.9635 5.0855 5.0855 5.1919 5.1919 5.3262 5.3262 5.4142 5.4142 5.5723 5.5723 5.8466 5.8466 5.9762 5.9762 6.3275 6.3275 6.4531 6.4531 7.9064 7.9064 8.0707 8.0707 8.3149 8.3149 8.4447 8.4447 8.5846 8.5846 8.6695 8.6695 8.7220 8.7220 9.0473 9.0473 9.3576 9.3576 k =-0.0357-0.0072 0.0225 ( 14520 PWs) bands (ev): -54.0878 -54.0878 -54.0677 -54.0677 -29.9524 -29.9524 -29.9002 -29.9002 -27.5513 -27.5513 -27.4537 -27.4537 -27.3879 -27.3879 -27.3672 -27.3672 -7.6657 -7.6657 -7.4169 -7.4169 -6.4420 -6.4420 -5.5235 -5.5235 -5.2789 -5.2789 -5.1497 -5.1497 -3.6591 -3.6591 -3.5502 -3.5502 -3.2095 -3.2095 -2.9440 -2.9440 1.1868 1.1868 1.2205 1.2205 1.9290 1.9290 2.3027 2.3027 2.3776 2.3776 2.6105 2.6105 2.6700 2.6700 2.8405 2.8405 3.5110 3.5110 3.5847 3.5847 3.8051 3.8051 3.9239 3.9239 3.9963 3.9963 4.2081 4.2081 4.4656 4.4656 4.7211 4.7211 4.8704 4.8704 4.9607 4.9607 5.0763 5.0763 5.1911 5.1911 5.3195 5.3195 5.4150 5.4150 5.5727 5.5727 5.8431 5.8431 5.9869 5.9869 6.3282 6.3282 6.4459 6.4459 7.9040 7.9040 8.0758 8.0758 8.3127 8.3127 8.4414 8.4414 8.5828 8.5828 8.6710 8.6710 8.7209 8.7209 9.0403 9.0403 9.3402 9.3402 k =-0.0536-0.0108 0.0338 ( 14510 PWs) bands (ev): -54.0877 -54.0877 -54.0676 -54.0676 -29.9523 -29.9523 -29.9002 -29.9002 -27.5511 -27.5511 -27.4537 -27.4537 -27.3880 -27.3880 -27.3674 -27.3674 -7.6640 -7.6640 -7.4175 -7.4175 -6.4399 -6.4399 -5.5230 -5.5230 -5.2847 -5.2847 -5.1515 -5.1515 -3.6592 -3.6592 -3.5515 -3.5515 -3.2066 -3.2066 -2.9439 -2.9439 1.1884 1.1884 1.2385 1.2385 1.9193 1.9193 2.2924 2.2924 2.3834 2.3834 2.6002 2.6002 2.6813 2.6813 2.8479 2.8479 3.5025 3.5025 3.5870 3.5870 3.8096 3.8096 3.9311 3.9311 4.0045 4.0045 4.2172 4.2172 4.4701 4.4701 4.6858 4.6858 4.8893 4.8893 4.9551 4.9551 5.0639 5.0639 5.1887 5.1887 5.3096 5.3096 5.4138 5.4138 5.5745 5.5745 5.8393 5.8393 6.0023 6.0023 6.3287 6.3287 6.4350 6.4350 7.9004 7.9004 8.0833 8.0833 8.3093 8.3093 8.4361 8.4361 8.5800 8.5800 8.6723 8.6723 8.7200 8.7200 9.0291 9.0291 9.3220 9.3220 k =-0.0714-0.0144 0.0450 ( 14503 PWs) bands (ev): -54.0877 -54.0877 -54.0676 -54.0676 -29.9522 -29.9522 -29.9003 -29.9003 -27.5509 -27.5509 -27.4537 -27.4537 -27.3880 -27.3880 -27.3676 -27.3676 -7.6616 -7.6616 -7.4183 -7.4183 -6.4369 -6.4369 -5.5223 -5.5223 -5.2928 -5.2928 -5.1539 -5.1539 -3.6595 -3.6595 -3.5533 -3.5533 -3.2026 -3.2026 -2.9437 -2.9437 1.1930 1.1930 1.2612 1.2612 1.9066 1.9066 2.2794 2.2794 2.3911 2.3911 2.5861 2.5861 2.6951 2.6951 2.8584 2.8584 3.4921 3.4921 3.5897 3.5897 3.8151 3.8151 3.9408 3.9408 4.0160 4.0160 4.2289 4.2289 4.4754 4.4754 4.6498 4.6498 4.9020 4.9020 4.9465 4.9465 5.0515 5.0515 5.1842 5.1842 5.2976 5.2976 5.4084 5.4084 5.5786 5.5786 5.8362 5.8362 6.0204 6.0204 6.3279 6.3279 6.4224 6.4224 7.8960 7.8960 8.0917 8.0917 8.3052 8.3052 8.4293 8.4293 8.5764 8.5764 8.6722 8.6722 8.7202 8.7202 9.0143 9.0143 9.3046 9.3046 k =-0.0893-0.0180 0.0563 ( 14507 PWs) bands (ev): -54.0877 -54.0877 -54.0677 -54.0677 -29.9521 -29.9521 -29.9004 -29.9004 -27.5505 -27.5505 -27.4538 -27.4538 -27.3881 -27.3881 -27.3679 -27.3679 -7.6586 -7.6586 -7.4193 -7.4193 -6.4331 -6.4331 -5.5214 -5.5214 -5.3030 -5.3030 -5.1570 -5.1570 -3.6597 -3.6597 -3.5555 -3.5555 -3.1976 -3.1976 -2.9434 -2.9434 1.2006 1.2006 1.2887 1.2887 1.8913 1.8913 2.2645 2.2645 2.4002 2.4002 2.5684 2.5684 2.7105 2.7105 2.8716 2.8716 3.4811 3.4811 3.5925 3.5925 3.8215 3.8215 3.9522 3.9522 4.0308 4.0308 4.2425 4.2425 4.4795 4.4795 4.6168 4.6168 4.9025 4.9025 4.9387 4.9387 5.0415 5.0415 5.1773 5.1773 5.2839 5.2839 5.3982 5.3982 5.5852 5.5852 5.8344 5.8344 6.0395 6.0395 6.3236 6.3236 6.4111 6.4111 7.8912 7.8912 8.0993 8.0993 8.3013 8.3013 8.4213 8.4213 8.5719 8.5719 8.6700 8.6700 8.7223 8.7223 8.9969 8.9969 9.2886 9.2886 k =-0.1071-0.0215 0.0675 ( 14502 PWs) bands (ev): -54.0877 -54.0877 -54.0677 -54.0677 -29.9519 -29.9519 -29.9005 -29.9005 -27.5501 -27.5501 -27.4538 -27.4538 -27.3882 -27.3882 -27.3682 -27.3682 -7.6549 -7.6549 -7.4205 -7.4205 -6.4285 -6.4285 -5.5204 -5.5204 -5.3153 -5.3153 -5.1608 -5.1608 -3.6599 -3.6599 -3.5580 -3.5580 -3.1918 -3.1918 -2.9430 -2.9430 1.2110 1.2110 1.3209 1.3209 1.8741 1.8741 2.2486 2.2486 2.4101 2.4101 2.5473 2.5473 2.7269 2.7269 2.8870 2.8870 3.4705 3.4705 3.5950 3.5950 3.8288 3.8288 3.9642 3.9642 4.0491 4.0491 4.2563 4.2563 4.4792 4.4792 4.5922 4.5922 4.8858 4.8858 4.9365 4.9365 5.0342 5.0342 5.1678 5.1678 5.2694 5.2694 5.3836 5.3836 5.5935 5.5935 5.8341 5.8341 6.0583 6.0583 6.3137 6.3137 6.4046 6.4046 7.8863 7.8863 8.1039 8.1039 8.2990 8.2990 8.4125 8.4125 8.5664 8.5664 8.6662 8.6662 8.7256 8.7256 8.9782 8.9782 9.2740 9.2740 k =-0.1250-0.0251 0.0788 ( 14501 PWs) bands (ev): -54.0876 -54.0876 -54.0677 -54.0677 -29.9518 -29.9518 -29.9006 -29.9006 -27.5497 -27.5497 -27.4538 -27.4538 -27.3883 -27.3883 -27.3686 -27.3686 -7.6507 -7.6507 -7.4220 -7.4220 -6.4229 -6.4229 -5.5192 -5.5192 -5.3296 -5.3296 -5.1652 -5.1652 -3.6601 -3.6601 -3.5608 -3.5608 -3.1852 -3.1852 -2.9425 -2.9425 1.2240 1.2240 1.3579 1.3579 1.8555 1.8555 2.2323 2.2323 2.4197 2.4197 2.5238 2.5238 2.7435 2.7435 2.9036 2.9036 3.4612 3.4612 3.5969 3.5969 3.8373 3.8373 3.9760 3.9760 4.0706 4.0706 4.2680 4.2680 4.4718 4.4718 4.5810 4.5810 4.8585 4.8585 4.9345 4.9345 5.0286 5.0286 5.1549 5.1549 5.2553 5.2553 5.3656 5.3656 5.6026 5.6026 5.8348 5.8348 6.0756 6.0756 6.2986 6.2986 6.4037 6.4037 7.8816 7.8816 8.1033 8.1033 8.2995 8.2995 8.4036 8.4036 8.5595 8.5595 8.6619 8.6619 8.7292 8.7292 8.9599 8.9599 9.2607 9.2607 k =-0.1429-0.0287 0.0900 ( 14497 PWs) bands (ev): -54.0876 -54.0876 -54.0677 -54.0677 -29.9516 -29.9516 -29.9008 -29.9008 -27.5492 -27.5492 -27.4539 -27.4539 -27.3884 -27.3884 -27.3690 -27.3690 -7.6458 -7.6458 -7.4237 -7.4237 -6.4165 -6.4165 -5.5180 -5.5180 -5.3457 -5.3457 -5.1702 -5.1702 -3.6603 -3.6603 -3.5639 -3.5639 -3.1780 -3.1780 -2.9419 -2.9419 1.2396 1.2396 1.3995 1.3995 1.8361 1.8361 2.2161 2.2161 2.4274 2.4274 2.4998 2.4998 2.7600 2.7600 2.9211 2.9211 3.4540 3.4540 3.5980 3.5980 3.8466 3.8466 3.9868 3.9868 4.0945 4.0945 4.2740 4.2740 4.4619 4.4619 4.5825 4.5825 4.8264 4.8264 4.9286 4.9286 5.0234 5.0234 5.1379 5.1379 5.2432 5.2432 5.3455 5.3455 5.6113 5.6113 5.8362 5.8362 6.0902 6.0902 6.2814 6.2814 6.4072 6.4072 7.8774 7.8774 8.0965 8.0965 8.3033 8.3033 8.3949 8.3949 8.5510 8.5510 8.6577 8.6577 8.7321 8.7321 8.9432 8.9432 9.2482 9.2482 k =-0.1607-0.0323 0.1013 ( 14496 PWs) bands (ev): -54.0876 -54.0876 -54.0678 -54.0678 -29.9513 -29.9513 -29.9010 -29.9010 -27.5486 -27.5486 -27.4539 -27.4539 -27.3885 -27.3885 -27.3695 -27.3695 -7.6405 -7.6405 -7.4256 -7.4256 -6.4092 -6.4092 -5.5168 -5.5168 -5.3634 -5.3634 -5.1757 -5.1757 -3.6603 -3.6603 -3.5671 -3.5671 -3.1704 -3.1704 -2.9412 -2.9412 1.2577 1.2577 1.4458 1.4458 1.8164 1.8164 2.2003 2.2003 2.4277 2.4277 2.4806 2.4806 2.7756 2.7756 2.9390 2.9390 3.4492 3.4492 3.5985 3.5985 3.8562 3.8562 3.9962 3.9962 4.1196 4.1196 4.2714 4.2714 4.4590 4.4590 4.5910 4.5910 4.7921 4.7921 4.9176 4.9176 5.0178 5.0178 5.1161 5.1161 5.2345 5.2345 5.3246 5.3246 5.6189 5.6189 5.8379 5.8379 6.1008 6.1008 6.2656 6.2656 6.4130 6.4130 7.8738 7.8738 8.0833 8.0833 8.3097 8.3097 8.3872 8.3872 8.5410 8.5410 8.6540 8.6540 8.7336 8.7336 8.9294 8.9294 9.2359 9.2359 k =-0.1786-0.0359 0.1126 ( 14503 PWs) bands (ev): -54.0875 -54.0875 -54.0678 -54.0678 -29.9511 -29.9511 -29.9012 -29.9012 -27.5480 -27.5480 -27.4540 -27.4540 -27.3886 -27.3886 -27.3700 -27.3700 -7.6347 -7.6347 -7.4277 -7.4277 -6.4009 -6.4009 -5.5158 -5.5158 -5.3824 -5.3824 -5.1818 -5.1818 -3.6603 -3.6603 -3.5704 -3.5704 -3.1624 -3.1624 -2.9405 -2.9405 1.2781 1.2781 1.4965 1.4965 1.7970 1.7970 2.1851 2.1851 2.4121 2.4121 2.4750 2.4750 2.7898 2.7898 2.9572 2.9572 3.4468 3.4468 3.5984 3.5984 3.8647 3.8647 4.0036 4.0036 4.1438 4.1438 4.2622 4.2622 4.4673 4.4673 4.6016 4.6016 4.7574 4.7574 4.9009 4.9009 5.0111 5.0111 5.0902 5.0902 5.2298 5.2298 5.3044 5.3044 5.6248 5.6248 5.8393 5.8393 6.1065 6.1065 6.2536 6.2536 6.4196 6.4196 7.8710 7.8710 8.0651 8.0651 8.3160 8.3160 8.3819 8.3819 8.5299 8.5299 8.6505 8.6505 8.7334 8.7334 8.9192 8.9192 9.2230 9.2230 k =-0.1964-0.0395 0.1238 ( 14500 PWs) bands (ev): -54.0875 -54.0875 -54.0678 -54.0678 -29.9509 -29.9509 -29.9014 -29.9014 -27.5473 -27.5473 -27.4541 -27.4541 -27.3888 -27.3888 -27.3706 -27.3706 -7.6285 -7.6285 -7.4300 -7.4300 -6.3917 -6.3917 -5.5152 -5.5152 -5.4022 -5.4022 -5.1883 -5.1883 -3.6601 -3.6601 -3.5738 -3.5738 -3.1542 -3.1542 -2.9396 -2.9396 1.3007 1.3007 1.5511 1.5511 1.7787 1.7787 2.1705 2.1705 2.3850 2.3850 2.4787 2.4787 2.8023 2.8023 2.9760 2.9760 3.4466 3.4466 3.5980 3.5980 3.8706 3.8706 4.0074 4.0074 4.1643 4.1643 4.2554 4.2554 4.4841 4.4841 4.6104 4.6104 4.7247 4.7247 4.8784 4.8784 5.0026 5.0026 5.0620 5.0620 5.2289 5.2289 5.2863 5.2863 5.6288 5.6288 5.8401 5.8401 6.1072 6.1072 6.2466 6.2466 6.4260 6.4260 7.8691 7.8691 8.0434 8.0434 8.3188 8.3188 8.3809 8.3809 8.5183 8.5183 8.6465 8.6465 8.7320 8.7320 8.9127 8.9127 9.2088 9.2088 k =-0.2143-0.0431 0.1351 ( 14497 PWs) bands (ev): -54.0874 -54.0874 -54.0679 -54.0679 -29.9506 -29.9506 -29.9016 -29.9016 -27.5466 -27.5466 -27.4541 -27.4541 -27.3889 -27.3889 -27.3711 -27.3711 -7.6219 -7.6219 -7.4326 -7.4326 -6.3816 -6.3816 -5.5158 -5.5158 -5.4221 -5.4221 -5.1952 -5.1952 -3.6597 -3.6597 -3.5773 -3.5773 -3.1458 -3.1458 -2.9387 -2.9387 1.3255 1.3255 1.6084 1.6084 1.7626 1.7626 2.1564 2.1564 2.3540 2.3540 2.4841 2.4841 2.8132 2.8132 2.9957 2.9957 3.4479 3.4479 3.5980 3.5980 3.8715 3.8715 4.0049 4.0049 4.1792 4.1792 4.2602 4.2602 4.5040 4.5040 4.6139 4.6139 4.6976 4.6976 4.8503 4.8503 4.9913 4.9913 5.0350 5.0350 5.2303 5.2303 5.2727 5.2727 5.6308 5.6308 5.8401 5.8401 6.1037 6.1037 6.2438 6.2438 6.4312 6.4312 7.8683 7.8683 8.0199 8.0199 8.3159 8.3159 8.3852 8.3852 8.5070 8.5070 8.6415 8.6415 8.7300 8.7300 8.9091 8.9091 9.1925 9.1925 k =-0.2321-0.0467 0.1463 ( 14507 PWs) bands (ev): -54.0874 -54.0874 -54.0680 -54.0680 -29.9504 -29.9504 -29.9018 -29.9018 -27.5459 -27.5459 -27.4542 -27.4542 -27.3891 -27.3891 -27.3717 -27.3717 -7.6150 -7.6150 -7.4354 -7.4354 -6.3706 -6.3706 -5.5187 -5.5187 -5.4406 -5.4406 -5.2025 -5.2025 -3.6593 -3.6593 -3.5807 -3.5807 -3.1375 -3.1375 -2.9376 -2.9376 1.3524 1.3524 1.6638 1.6638 1.7537 1.7537 2.1426 2.1426 2.3220 2.3220 2.4884 2.4884 2.8228 2.8228 3.0164 3.0164 3.4497 3.4497 3.5988 3.5988 3.8652 3.8652 3.9951 3.9951 4.1932 4.1932 4.2761 4.2761 4.5193 4.5193 4.6106 4.6106 4.6800 4.6800 4.8181 4.8181 4.9757 4.9757 5.0140 5.0140 5.2299 5.2299 5.2678 5.2678 5.6310 5.6310 5.8390 5.8390 6.0977 6.0977 6.2435 6.2435 6.4346 6.4346 7.8684 7.8684 7.9963 7.9963 8.3081 8.3081 8.3928 8.3928 8.4967 8.4967 8.6354 8.6354 8.7279 8.7279 8.9076 8.9076 9.1737 9.1737 k =-0.2500-0.0503 0.1576 ( 14505 PWs) bands (ev): -54.0874 -54.0874 -54.0680 -54.0680 -29.9501 -29.9501 -29.9020 -29.9020 -27.5452 -27.5452 -27.4543 -27.4543 -27.3892 -27.3892 -27.3723 -27.3723 -7.6078 -7.6078 -7.4383 -7.4383 -6.3587 -6.3587 -5.5259 -5.5259 -5.4556 -5.4556 -5.2101 -5.2101 -3.6586 -3.6586 -3.5841 -3.5841 -3.1293 -3.1293 -2.9365 -2.9365 1.3811 1.3811 1.6948 1.6948 1.7743 1.7743 2.1286 2.1286 2.2904 2.2904 2.4903 2.4903 2.8320 2.8320 3.0380 3.0380 3.4508 3.4508 3.6013 3.6013 3.8499 3.8499 3.9804 3.9804 4.2117 4.2117 4.2958 4.2958 4.5186 4.5186 4.6077 4.6077 4.6710 4.6710 4.7862 4.7862 4.9569 4.9569 5.0012 5.0012 5.2242 5.2242 5.2749 5.2749 5.6297 5.6297 5.8367 5.8367 6.0902 6.0902 6.2439 6.2439 6.4354 6.4354 7.8688 7.8688 7.9744 7.9744 8.2971 8.2971 8.4011 8.4011 8.4880 8.4880 8.6282 8.6282 8.7258 8.7258 8.9073 8.9073 9.1522 9.1522 k =-0.2679-0.0539 0.1688 ( 14501 PWs) bands (ev): -54.0873 -54.0873 -54.0680 -54.0680 -29.9498 -29.9498 -29.9023 -29.9023 -27.5444 -27.5444 -27.4544 -27.4544 -27.3894 -27.3894 -27.3729 -27.3729 -7.6004 -7.6004 -7.4415 -7.4415 -6.3459 -6.3459 -5.5396 -5.5396 -5.4649 -5.4649 -5.2180 -5.2180 -3.6578 -3.6578 -3.5875 -3.5875 -3.1213 -3.1213 -2.9353 -2.9353 1.4117 1.4117 1.6927 1.6927 1.8331 1.8331 2.1141 2.1141 2.2604 2.2604 2.4892 2.4892 2.8418 2.8418 3.0602 3.0602 3.4502 3.4502 3.6061 3.6061 3.8249 3.8249 3.9650 3.9650 4.2331 4.2331 4.3126 4.3126 4.5004 4.5004 4.6025 4.6025 4.6716 4.6716 4.7616 4.7616 4.9384 4.9384 4.9957 4.9957 5.2160 5.2160 5.2900 5.2900 5.6272 5.6272 5.8332 5.8332 6.0819 6.0819 6.2436 6.2436 6.4333 6.4333 7.8679 7.8679 7.9568 7.9568 8.2843 8.2843 8.4080 8.4080 8.4816 8.4816 8.6207 8.6207 8.7234 8.7234 8.9071 8.9071 9.1287 9.1287 k =-0.2857-0.0575 0.1801 ( 14508 PWs) bands (ev): -54.0873 -54.0873 -54.0681 -54.0681 -29.9495 -29.9495 -29.9025 -29.9025 -27.5437 -27.5437 -27.4545 -27.4545 -27.3896 -27.3896 -27.3735 -27.3735 -7.5929 -7.5929 -7.4449 -7.4449 -6.3323 -6.3323 -5.5591 -5.5591 -5.4688 -5.4688 -5.2259 -5.2259 -3.6568 -3.6568 -3.5908 -3.5908 -3.1136 -3.1136 -2.9342 -2.9342 1.4439 1.4439 1.6828 1.6828 1.9039 1.9039 2.0987 2.0987 2.2330 2.2330 2.4847 2.4847 2.8530 2.8530 3.0829 3.0829 3.4469 3.4469 3.6135 3.6135 3.7920 3.7920 3.9509 3.9509 4.2500 4.2500 4.3203 4.3203 4.4769 4.4769 4.5855 4.5855 4.6855 4.6855 4.7485 4.7485 4.9219 4.9219 4.9970 4.9970 5.2079 5.2079 5.3094 5.3094 5.6242 5.6242 5.8286 5.8286 6.0728 6.0728 6.2418 6.2418 6.4281 6.4281 7.8631 7.8631 7.9467 7.9467 8.2707 8.2707 8.4119 8.4119 8.4779 8.4779 8.6136 8.6136 8.7204 8.7204 8.9064 8.9064 9.1040 9.1040 k =-0.3036-0.0610 0.1913 ( 14513 PWs) bands (ev): -54.0873 -54.0873 -54.0681 -54.0681 -29.9493 -29.9493 -29.9027 -29.9027 -27.5430 -27.5430 -27.4547 -27.4547 -27.3897 -27.3897 -27.3740 -27.3740 -7.5852 -7.5852 -7.4486 -7.4486 -6.3180 -6.3180 -5.5822 -5.5822 -5.4691 -5.4691 -5.2340 -5.2340 -3.6556 -3.6556 -3.5940 -3.5940 -3.1062 -3.1062 -2.9330 -2.9330 1.4776 1.4776 1.6726 1.6726 1.9770 1.9770 2.0836 2.0836 2.2098 2.2098 2.4772 2.4772 2.8663 2.8663 3.1055 3.1055 3.4404 3.4404 3.6230 3.6230 3.7546 3.7546 3.9378 3.9378 4.2474 4.2474 4.3175 4.3175 4.4582 4.4582 4.5715 4.5715 4.7037 4.7037 4.7462 4.7462 4.9077 4.9077 5.0051 5.0051 5.2006 5.2006 5.3306 5.3306 5.6213 5.6213 5.8231 5.8231 6.0626 6.0626 6.2377 6.2377 6.4199 6.4199 7.8529 7.8529 7.9464 7.9464 8.2568 8.2568 8.4125 8.4125 8.4769 8.4769 8.6074 8.6074 8.7162 8.7162 8.9042 8.9042 9.0795 9.0795 k =-0.3214-0.0646 0.2026 ( 14521 PWs) bands (ev): -54.0872 -54.0872 -54.0682 -54.0682 -29.9490 -29.9490 -29.9030 -29.9030 -27.5422 -27.5422 -27.4548 -27.4548 -27.3899 -27.3899 -27.3746 -27.3746 -7.5774 -7.5774 -7.4524 -7.4524 -6.3030 -6.3030 -5.6073 -5.6073 -5.4676 -5.4676 -5.2421 -5.2421 -3.6543 -3.6543 -3.5971 -3.5971 -3.0992 -3.0992 -2.9318 -2.9318 1.5123 1.5123 1.6637 1.6637 2.0309 2.0309 2.0847 2.0847 2.1942 2.1942 2.4669 2.4669 2.8818 2.8818 3.1279 3.1279 3.4307 3.4307 3.6320 3.6320 3.7176 3.7176 3.9244 3.9244 4.2105 4.2105 4.3095 4.3095 4.4482 4.4482 4.5750 4.5750 4.7173 4.7173 4.7541 4.7541 4.8963 4.8963 5.0194 5.0194 5.1946 5.1946 5.3519 5.3519 5.6191 5.6191 5.8172 5.8172 6.0511 6.0511 6.2311 6.2311 6.4087 6.4087 7.8387 7.8387 7.9544 7.9544 8.2433 8.2433 8.4100 8.4100 8.4780 8.4780 8.6025 8.6025 8.7105 8.7105 8.8999 8.8999 9.0563 9.0563 k =-0.3393-0.0682 0.2139 ( 14519 PWs) bands (ev): -54.0872 -54.0872 -54.0682 -54.0682 -29.9488 -29.9488 -29.9032 -29.9032 -27.5416 -27.5416 -27.4549 -27.4549 -27.3900 -27.3900 -27.3751 -27.3751 -7.5697 -7.5697 -7.4565 -7.4565 -6.2874 -6.2874 -5.6332 -5.6332 -5.4650 -5.4650 -5.2500 -5.2500 -3.6529 -3.6529 -3.6000 -3.6000 -3.0928 -3.0928 -2.9306 -2.9306 1.5476 1.5476 1.6570 1.6570 2.0256 2.0256 2.1219 2.1219 2.2058 2.2058 2.4549 2.4549 2.8997 2.8997 3.1497 3.1497 3.4179 3.4179 3.6303 3.6303 3.6923 3.6923 3.9091 3.9091 4.1486 4.1486 4.2924 4.2924 4.4479 4.4479 4.5952 4.5952 4.7255 4.7255 4.7683 4.7683 4.8895 4.8895 5.0384 5.0384 5.1901 5.1901 5.3713 5.3713 5.6183 5.6183 5.8119 5.8119 6.0379 6.0379 6.2217 6.2217 6.3952 6.3952 7.8231 7.8231 7.9680 7.9680 8.2307 8.2307 8.4054 8.4054 8.4801 8.4801 8.5990 8.5990 8.7030 8.7030 8.8927 8.8927 9.0357 9.0357 k =-0.3571-0.0718 0.2251 ( 14517 PWs) bands (ev): -54.0871 -54.0871 -54.0683 -54.0683 -29.9485 -29.9485 -29.9034 -29.9034 -27.5409 -27.5409 -27.4550 -27.4550 -27.3901 -27.3901 -27.3756 -27.3756 -7.5619 -7.5619 -7.4608 -7.4608 -6.2716 -6.2716 -5.6591 -5.6591 -5.4619 -5.4619 -5.2577 -5.2577 -3.6515 -3.6515 -3.6029 -3.6029 -3.0868 -3.0868 -2.9295 -2.9295 1.5820 1.5820 1.6539 1.6539 2.0048 2.0048 2.1241 2.1241 2.2709 2.2709 2.4420 2.4420 2.9196 2.9196 3.1706 3.1706 3.4021 3.4021 3.6048 3.6048 3.6924 3.6924 3.8889 3.8889 4.0775 4.0775 4.2662 4.2662 4.4543 4.4543 4.6236 4.6236 4.7318 4.7318 4.7833 4.7833 4.8889 4.8889 5.0598 5.0598 5.1880 5.1880 5.3874 5.3874 5.6188 5.6188 5.8087 5.8087 6.0226 6.0226 6.2093 6.2093 6.3801 6.3801 7.8078 7.8078 7.9851 7.9851 8.2194 8.2194 8.3995 8.3995 8.4827 8.4827 8.5966 8.5966 8.6939 8.6939 8.8821 8.8821 9.0187 9.0187 k =-0.3750-0.0754 0.2364 ( 14507 PWs) bands (ev): -54.0871 -54.0871 -54.0683 -54.0683 -29.9483 -29.9483 -29.9035 -29.9035 -27.5403 -27.5403 -27.4551 -27.4551 -27.3903 -27.3903 -27.3760 -27.3760 -7.5543 -7.5543 -7.4653 -7.4653 -6.2558 -6.2558 -5.6844 -5.6844 -5.4584 -5.4584 -5.2651 -5.2651 -3.6499 -3.6499 -3.6056 -3.6056 -3.0815 -3.0815 -2.9285 -2.9285 1.6105 1.6105 1.6591 1.6591 1.9821 1.9821 2.1100 2.1100 2.3557 2.3557 2.4303 2.4303 2.9414 2.9414 3.1901 3.1901 3.3837 3.3837 3.5683 3.5683 3.7041 3.7041 3.8573 3.8573 4.0118 4.0118 4.2354 4.2354 4.4634 4.4634 4.6520 4.6520 4.7376 4.7376 4.7982 4.7982 4.8955 4.8955 5.0807 5.0807 5.1890 5.1890 5.3996 5.3996 5.6197 5.6197 5.8095 5.8095 6.0052 6.0052 6.1939 6.1939 6.3642 6.3642 7.7935 7.7935 8.0044 8.0044 8.2098 8.2098 8.3933 8.3933 8.4854 8.4854 8.5949 8.5949 8.6835 8.6835 8.8684 8.8684 9.0056 9.0056 k =-0.3929-0.0790 0.2476 ( 14514 PWs) bands (ev): -54.0871 -54.0871 -54.0683 -54.0683 -29.9481 -29.9481 -29.9037 -29.9037 -27.5398 -27.5398 -27.4552 -27.4552 -27.3904 -27.3904 -27.3764 -27.3764 -7.5467 -7.5467 -7.4700 -7.4700 -6.2402 -6.2402 -5.7086 -5.7086 -5.4548 -5.4548 -5.2720 -5.2720 -3.6483 -3.6483 -3.6081 -3.6081 -3.0767 -3.0767 -2.9276 -2.9276 1.6239 1.6239 1.6815 1.6815 1.9598 1.9598 2.0913 2.0913 2.4095 2.4095 2.4567 2.4567 2.9644 2.9644 3.2075 3.2075 3.3630 3.3630 3.5306 3.5306 3.7138 3.7138 3.8093 3.8093 3.9656 3.9656 4.2035 4.2035 4.4731 4.4731 4.6724 4.6724 4.7455 4.7455 4.8149 4.8149 4.9083 4.9083 5.0977 5.0977 5.1943 5.1943 5.4084 5.4084 5.6195 5.6195 5.8163 5.8163 5.9859 5.9859 6.1754 6.1754 6.3483 6.3483 7.7809 7.7809 8.0244 8.0244 8.2021 8.2021 8.3875 8.3875 8.4882 8.4882 8.5930 8.5930 8.6724 8.6724 8.8525 8.8525 8.9957 8.9957 k =-0.4107-0.0826 0.2589 ( 14510 PWs) bands (ev): -54.0870 -54.0870 -54.0683 -54.0683 -29.9479 -29.9479 -29.9038 -29.9038 -27.5393 -27.5393 -27.4553 -27.4553 -27.3905 -27.3905 -27.3767 -27.3767 -7.5393 -7.5393 -7.4750 -7.4750 -6.2253 -6.2253 -5.7310 -5.7310 -5.4514 -5.4514 -5.2783 -5.2783 -3.6468 -3.6468 -3.6104 -3.6104 -3.0727 -3.0727 -2.9268 -2.9268 1.6273 1.6273 1.7154 1.7154 1.9392 1.9392 2.0696 2.0696 2.4019 2.4019 2.5493 2.5493 2.9883 2.9883 3.2214 3.2214 3.3404 3.3404 3.4939 3.4939 3.6938 3.6938 3.7733 3.7733 3.9394 3.9394 4.1726 4.1726 4.4825 4.4825 4.6793 4.6793 4.7594 4.7594 4.8330 4.8330 4.9256 4.9256 5.1085 5.1085 5.2040 5.2040 5.4154 5.4154 5.6168 5.6168 5.8298 5.8298 5.9658 5.9658 6.1538 6.1538 6.3335 6.3335 7.7699 7.7699 8.0440 8.0440 8.1962 8.1962 8.3826 8.3826 8.4912 8.4912 8.5900 8.5900 8.6615 8.6615 8.8358 8.8358 8.9883 8.9883 k =-0.4286-0.0862 0.2701 ( 14500 PWs) bands (ev): -54.0870 -54.0870 -54.0683 -54.0683 -29.9478 -29.9478 -29.9040 -29.9040 -27.5389 -27.5389 -27.4554 -27.4554 -27.3905 -27.3905 -27.3770 -27.3770 -7.5322 -7.5322 -7.4801 -7.4801 -6.2117 -6.2117 -5.7510 -5.7510 -5.4482 -5.4482 -5.2837 -5.2837 -3.6454 -3.6454 -3.6124 -3.6124 -3.0693 -3.0693 -2.9262 -2.9262 1.6285 1.6285 1.7522 1.7522 1.9214 1.9214 2.0449 2.0449 2.3931 2.3931 2.6468 2.6468 3.0122 3.0122 3.2284 3.2284 3.3169 3.3169 3.4593 3.4593 3.6298 3.6298 3.7761 3.7761 3.9245 3.9245 4.1442 4.1442 4.4916 4.4916 4.6756 4.6756 4.7774 4.7774 4.8495 4.8495 4.9462 4.9462 5.1130 5.1130 5.2160 5.2160 5.4221 5.4221 5.6117 5.6117 5.8477 5.8477 5.9477 5.9477 6.1291 6.1291 6.3206 6.3206 7.7608 7.7608 8.0620 8.0620 8.1920 8.1920 8.3792 8.3792 8.4945 8.4945 8.5851 8.5851 8.6522 8.6522 8.8198 8.8198 8.9827 8.9827 k =-0.4464-0.0898 0.2814 ( 14504 PWs) bands (ev): -54.0870 -54.0870 -54.0684 -54.0684 -29.9477 -29.9477 -29.9041 -29.9041 -27.5386 -27.5386 -27.4554 -27.4554 -27.3906 -27.3906 -27.3773 -27.3773 -7.5252 -7.5252 -7.4855 -7.4855 -6.1999 -6.1999 -5.7677 -5.7677 -5.4455 -5.4455 -5.2883 -5.2883 -3.6441 -3.6441 -3.6142 -3.6142 -3.0666 -3.0666 -2.9256 -2.9256 1.6295 1.6295 1.7887 1.7887 1.9077 1.9077 2.0176 2.0176 2.3861 2.3861 2.7453 2.7453 3.0348 3.0348 3.2227 3.2227 3.2927 3.2927 3.4296 3.4296 3.5625 3.5625 3.7878 3.7878 3.9156 3.9156 4.1196 4.1196 4.4999 4.4999 4.6676 4.6676 4.7952 4.7952 4.8620 4.8620 4.9683 4.9683 5.1125 5.1125 5.2275 5.2275 5.4289 5.4289 5.6061 5.6061 5.8628 5.8628 5.9385 5.9385 6.1015 6.1015 6.3100 6.3100 7.7537 7.7537 8.0774 8.0774 8.1891 8.1891 8.3775 8.3775 8.4981 8.4981 8.5780 8.5780 8.6454 8.6454 8.8059 8.8059 8.9785 8.9785 k =-0.4643-0.0934 0.2927 ( 14496 PWs) bands (ev): -54.0870 -54.0870 -54.0684 -54.0684 -29.9476 -29.9476 -29.9041 -29.9041 -27.5383 -27.5383 -27.4555 -27.4555 -27.3907 -27.3907 -27.3774 -27.3774 -7.5187 -7.5187 -7.4908 -7.4908 -6.1908 -6.1908 -5.7805 -5.7805 -5.4435 -5.4435 -5.2916 -5.2916 -3.6430 -3.6430 -3.6155 -3.6155 -3.0647 -3.0647 -2.9252 -2.9252 1.6303 1.6303 1.8220 1.8220 1.9005 1.9005 1.9879 1.9879 2.3811 2.3811 2.8431 2.8431 3.0532 3.0532 3.1967 3.1967 3.2678 3.2678 3.4118 3.4118 3.5086 3.5086 3.7986 3.7986 3.9104 3.9104 4.1002 4.1002 4.5069 4.5069 4.6593 4.6593 4.8101 4.8101 4.8697 4.8697 4.9891 4.9891 5.1086 5.1086 5.2366 5.2366 5.4352 5.4352 5.6016 5.6016 5.8652 5.8652 5.9487 5.9487 6.0713 6.0713 6.3024 6.3024 7.7486 7.7486 8.0891 8.0891 8.1872 8.1872 8.3771 8.3771 8.5018 8.5018 8.5696 8.5696 8.6413 8.6413 8.7951 8.7951 8.9755 8.9755 k =-0.4821-0.0970 0.3039 ( 14496 PWs) bands (ev): -54.0869 -54.0869 -54.0684 -54.0684 -29.9475 -29.9475 -29.9042 -29.9042 -27.5382 -27.5382 -27.4555 -27.4555 -27.3907 -27.3907 -27.3775 -27.3775 -7.5129 -7.5129 -7.4959 -7.4959 -6.1850 -6.1850 -5.7885 -5.7885 -5.4421 -5.4421 -5.2937 -5.2937 -3.6424 -3.6424 -3.6164 -3.6164 -3.0635 -3.0635 -2.9250 -2.9250 1.6310 1.6310 1.8455 1.8455 1.9056 1.9056 1.9570 1.9570 2.3781 2.3781 2.9368 2.9368 3.0577 3.0577 3.1527 3.1527 3.2480 3.2480 3.4090 3.4090 3.4724 3.4724 3.8058 3.8058 3.9079 3.9079 4.0877 4.0877 4.5117 4.5117 4.6532 4.6532 4.8203 4.8203 4.8733 4.8733 5.0048 5.0048 5.1037 5.1037 5.2425 5.2425 5.4394 5.4394 5.5993 5.5993 5.8596 5.8596 5.9744 5.9744 6.0395 6.0395 6.2977 6.2977 7.7455 7.7455 8.0965 8.0965 8.1861 8.1861 8.3773 8.3773 8.5051 8.5051 8.5626 8.5626 8.6392 8.6392 8.7883 8.7883 8.9736 8.9736 k =-0.5000-0.1005 0.3152 ( 14502 PWs) bands (ev): -54.0870 -54.0870 -54.0684 -54.0684 -29.9475 -29.9475 -29.9042 -29.9042 -27.5382 -27.5382 -27.4555 -27.4555 -27.3907 -27.3907 -27.3775 -27.3775 -7.5099 -7.5099 -7.4987 -7.4987 -6.1830 -6.1830 -5.7912 -5.7912 -5.4417 -5.4417 -5.2944 -5.2944 -3.6421 -3.6421 -3.6166 -3.6166 -3.0632 -3.0632 -2.9249 -2.9249 1.6312 1.6312 1.8528 1.8528 1.9270 1.9270 1.9275 1.9275 2.3772 2.3772 3.0115 3.0115 3.0240 3.0240 3.1290 3.1290 3.2407 3.2407 3.4118 3.4118 3.4580 3.4580 3.8084 3.8084 3.9071 3.9071 4.0834 4.0834 4.5135 4.5135 4.6510 4.6510 4.8239 4.8239 4.8742 4.8742 5.0109 5.0109 5.1013 5.1013 5.2446 5.2446 5.4408 5.4408 5.5986 5.5986 5.8566 5.8566 6.0014 6.0014 6.0112 6.0112 6.2962 6.2962 7.7444 7.7444 8.0990 8.0990 8.1857 8.1857 8.3776 8.3776 8.5064 8.5064 8.5597 8.5597 8.6386 8.6386 8.7860 8.7860 8.9730 8.9730 k =-0.5000-0.5445 0.0855 ( 14466 PWs) bands (ev): -54.0868 -54.0868 -54.0684 -54.0684 -29.9475 -29.9475 -29.9041 -29.9041 -27.5381 -27.5381 -27.4555 -27.4555 -27.3907 -27.3907 -27.3775 -27.3775 -7.5046 -7.5046 -7.4846 -7.4846 -6.1787 -6.1787 -5.7100 -5.7100 -5.5196 -5.5196 -5.3871 -5.3871 -3.7241 -3.7241 -3.5214 -3.5214 -3.1531 -3.1531 -2.7778 -2.7778 1.7638 1.7638 1.8976 1.8976 1.9401 1.9401 2.1614 2.1614 2.4669 2.4669 2.6325 2.6325 3.0493 3.0493 3.1844 3.1844 3.2624 3.2624 3.4286 3.4286 3.6607 3.6607 3.8193 3.8193 3.9165 3.9165 3.9944 3.9944 4.3907 4.3907 4.4281 4.4281 4.6666 4.6666 4.7720 4.7720 5.0428 5.0428 5.0435 5.0435 5.2879 5.2879 5.3262 5.3262 5.5253 5.5253 5.8731 5.8731 5.9168 5.9168 6.0444 6.0444 6.2987 6.2987 7.8907 7.8907 8.0093 8.0093 8.2234 8.2234 8.2959 8.2959 8.4664 8.4664 8.4704 8.4704 8.7769 8.7769 8.8093 8.8093 9.0677 9.0677 k =-0.4857-0.5289 0.0830 ( 14465 PWs) bands (ev): -54.0868 -54.0868 -54.0683 -54.0683 -29.9475 -29.9475 -29.9041 -29.9041 -27.5382 -27.5382 -27.4555 -27.4555 -27.3907 -27.3907 -27.3775 -27.3775 -7.5052 -7.5052 -7.4842 -7.4842 -6.1797 -6.1797 -5.7088 -5.7088 -5.5206 -5.5206 -5.3855 -5.3855 -3.7242 -3.7242 -3.5213 -3.5213 -3.1531 -3.1531 -2.7781 -2.7781 1.7632 1.7632 1.8950 1.8950 1.9431 1.9431 2.1629 2.1629 2.4620 2.4620 2.6344 2.6344 3.0353 3.0353 3.1778 3.1778 3.2800 3.2800 3.4319 3.4319 3.6609 3.6609 3.8193 3.8193 3.9171 3.9171 3.9934 3.9934 4.3811 4.3811 4.4416 4.4416 4.6654 4.6654 4.7713 4.7713 5.0237 5.0237 5.0627 5.0627 5.2848 5.2848 5.3287 5.3287 5.5257 5.5257 5.8632 5.8632 5.9191 5.9191 6.0521 6.0521 6.2991 6.2991 7.8887 7.8887 8.0097 8.0097 8.2235 8.2235 8.2992 8.2992 8.4457 8.4457 8.4936 8.4936 8.7750 8.7750 8.8092 8.8092 9.0666 9.0666 k =-0.4714-0.5134 0.0806 ( 14471 PWs) bands (ev): -54.0869 -54.0869 -54.0683 -54.0683 -29.9476 -29.9476 -29.9041 -29.9041 -27.5383 -27.5383 -27.4554 -27.4554 -27.3907 -27.3907 -27.3774 -27.3774 -7.5068 -7.5068 -7.4830 -7.4830 -6.1828 -6.1828 -5.7053 -5.7053 -5.5234 -5.5234 -5.3810 -5.3810 -3.7246 -3.7246 -3.5209 -3.5209 -3.1532 -3.1532 -2.7790 -2.7790 1.7614 1.7614 1.8883 1.8883 1.9504 1.9504 2.1676 2.1676 2.4482 2.4482 2.6391 2.6391 2.9994 2.9994 3.1683 3.1683 3.3154 3.3154 3.4426 3.4426 3.6615 3.6615 3.8194 3.8194 3.9185 3.9185 3.9910 3.9910 4.3667 4.3667 4.4671 4.4671 4.6618 4.6618 4.7694 4.7694 5.0056 5.0056 5.0814 5.0814 5.2769 5.2769 5.3346 5.3346 5.5268 5.5268 5.8399 5.8399 5.9228 5.9228 6.0716 6.0716 6.3005 6.3005 7.8827 7.8827 8.0107 8.0107 8.2245 8.2245 8.3076 8.3076 8.4268 8.4268 8.5200 8.5200 8.7702 8.7702 8.8086 8.8086 9.0637 9.0637 k =-0.4571-0.4978 0.0782 ( 14475 PWs) bands (ev): -54.0869 -54.0869 -54.0683 -54.0683 -29.9476 -29.9476 -29.9041 -29.9041 -27.5384 -27.5384 -27.4554 -27.4554 -27.3906 -27.3906 -27.3773 -27.3773 -7.5093 -7.5093 -7.4814 -7.4814 -6.1878 -6.1878 -5.6995 -5.6995 -5.5274 -5.5274 -5.3739 -5.3739 -3.7253 -3.7253 -3.5204 -3.5204 -3.1533 -3.1533 -2.7806 -2.7806 1.7585 1.7585 1.8796 1.8796 1.9602 1.9602 2.1752 2.1752 2.4277 2.4277 2.6448 2.6448 2.9526 2.9526 3.1599 3.1599 3.3502 3.3502 3.4628 3.4628 3.6631 3.6631 3.8197 3.8197 3.9203 3.9203 3.9888 3.9888 4.3554 4.3554 4.4958 4.4958 4.6561 4.6561 4.7665 4.7665 4.9898 4.9898 5.0982 5.0982 5.2665 5.2665 5.3422 5.3422 5.5280 5.5280 5.8111 5.8111 5.9260 5.9260 6.0970 6.0970 6.3036 6.3036 7.8735 7.8735 8.0120 8.0120 8.2279 8.2279 8.3173 8.3173 8.4139 8.4139 8.5467 8.5467 8.7641 8.7641 8.8069 8.8069 9.0603 9.0603 k =-0.4429-0.4823 0.0757 ( 14470 PWs) bands (ev): -54.0869 -54.0869 -54.0683 -54.0683 -29.9477 -29.9477 -29.9040 -29.9040 -27.5386 -27.5386 -27.4554 -27.4554 -27.3906 -27.3906 -27.3772 -27.3772 -7.5124 -7.5124 -7.4794 -7.4794 -6.1945 -6.1945 -5.6917 -5.6917 -5.5323 -5.5323 -5.3648 -5.3648 -3.7261 -3.7261 -3.5197 -3.5197 -3.1534 -3.1534 -2.7828 -2.7828 1.7545 1.7545 1.8699 1.8699 1.9712 1.9712 2.1858 2.1858 2.4025 2.4025 2.6487 2.6487 2.9031 2.9031 3.1508 3.1508 3.3768 3.3768 3.4923 3.4923 3.6667 3.6667 3.8204 3.8204 3.9218 3.9218 3.9888 3.9888 4.3483 4.3483 4.5244 4.5244 4.6490 4.6490 4.7631 4.7631 4.9775 4.9775 5.1118 5.1118 5.2555 5.2555 5.3502 5.3502 5.5289 5.5289 5.7804 5.7804 5.9287 5.9287 6.1237 6.1237 6.3091 6.3091 7.8615 7.8615 8.0134 8.0134 8.2340 8.2340 8.3240 8.3240 8.4100 8.4100 8.5718 8.5718 8.7593 8.7593 8.8041 8.8041 9.0575 9.0575 k =-0.4286-0.4667 0.0733 ( 14477 PWs) bands (ev): -54.0869 -54.0869 -54.0683 -54.0683 -29.9478 -29.9478 -29.9039 -29.9039 -27.5389 -27.5389 -27.4553 -27.4553 -27.3905 -27.3905 -27.3770 -27.3770 -7.5160 -7.5160 -7.4772 -7.4772 -6.2028 -6.2028 -5.6819 -5.6819 -5.5376 -5.5376 -5.3543 -5.3543 -3.7270 -3.7270 -3.5190 -3.5190 -3.1536 -3.1536 -2.7856 -2.7856 1.7492 1.7492 1.8596 1.8596 1.9830 1.9830 2.1990 2.1990 2.3746 2.3746 2.6473 2.6473 2.8572 2.8572 3.1396 3.1396 3.3946 3.3946 3.5243 3.5243 3.6753 3.6753 3.8218 3.8218 3.9234 3.9234 3.9930 3.9930 4.3452 4.3452 4.5500 4.5500 4.6423 4.6423 4.7595 4.7595 4.9695 4.9695 5.1205 5.1205 5.2459 5.2459 5.3578 5.3578 5.5287 5.5287 5.7502 5.7502 5.9312 5.9312 6.1489 6.1489 6.3182 6.3182 7.8476 7.8476 8.0150 8.0150 8.2424 8.2424 8.3253 8.3253 8.4166 8.4166 8.5928 8.5928 8.7586 8.7586 8.8006 8.8006 9.0562 9.0562 k =-0.4143-0.4512 0.0708 ( 14473 PWs) bands (ev): -54.0869 -54.0869 -54.0683 -54.0683 -29.9479 -29.9479 -29.9038 -29.9038 -27.5392 -27.5392 -27.4553 -27.4553 -27.3905 -27.3905 -27.3768 -27.3768 -7.5200 -7.5200 -7.4749 -7.4749 -6.2123 -6.2123 -5.6705 -5.6705 -5.5428 -5.5428 -5.3428 -5.3428 -3.7280 -3.7280 -3.5182 -3.5182 -3.1539 -3.1539 -2.7889 -2.7889 1.7426 1.7426 1.8490 1.8490 1.9952 1.9952 2.2146 2.2146 2.3453 2.3453 2.6354 2.6354 2.8215 2.8215 3.1260 3.1260 3.4057 3.4057 3.5488 3.5488 3.6919 3.6919 3.8248 3.8248 3.9268 3.9268 4.0022 4.0022 4.3454 4.3454 4.5681 4.5681 4.6402 4.6402 4.7562 4.7562 4.9666 4.9666 5.1223 5.1223 5.2401 5.2401 5.3641 5.3641 5.5269 5.5269 5.7219 5.7219 5.9335 5.9335 6.1714 6.1714 6.3313 6.3313 7.8323 7.8323 8.0169 8.0169 8.2512 8.2512 8.3243 8.3243 8.4306 8.4306 8.6066 8.6066 8.7639 8.7639 8.7983 8.7983 9.0569 9.0569 k =-0.4000-0.4356 0.0684 ( 14481 PWs) bands (ev): -54.0870 -54.0870 -54.0683 -54.0683 -29.9480 -29.9480 -29.9037 -29.9037 -27.5396 -27.5396 -27.4552 -27.4552 -27.3904 -27.3904 -27.3765 -27.3765 -7.5244 -7.5244 -7.4726 -7.4726 -6.2229 -6.2229 -5.6578 -5.6578 -5.5476 -5.5476 -5.3306 -5.3306 -3.7290 -3.7290 -3.5174 -3.5174 -3.1542 -3.1542 -2.7929 -2.7929 1.7343 1.7343 1.8385 1.8385 2.0077 2.0077 2.2317 2.2317 2.3162 2.3162 2.6091 2.6091 2.8007 2.8007 3.1104 3.1104 3.4108 3.4108 3.5608 3.5608 3.7146 3.7146 3.8321 3.8321 3.9337 3.9337 4.0169 4.0169 4.3481 4.3481 4.5738 4.5738 4.6469 4.6469 4.7536 4.7536 4.9691 4.9691 5.1164 5.1164 5.2395 5.2395 5.3683 5.3683 5.5231 5.5231 5.6966 5.6966 5.9358 5.9358 6.1906 6.1906 6.3482 6.3482 7.8164 7.8164 8.0190 8.0190 8.2581 8.2581 8.3259 8.3259 8.4480 8.4480 8.6122 8.6122 8.7693 8.7693 8.8047 8.8047 9.0596 9.0596 k =-0.3857-0.4200 0.0659 ( 14489 PWs) bands (ev): -54.0870 -54.0870 -54.0683 -54.0683 -29.9482 -29.9482 -29.9036 -29.9036 -27.5400 -27.5400 -27.4551 -27.4551 -27.3903 -27.3903 -27.3763 -27.3763 -7.5292 -7.5292 -7.4701 -7.4701 -6.2344 -6.2344 -5.6439 -5.6439 -5.5518 -5.5518 -5.3181 -5.3181 -3.7298 -3.7298 -3.5168 -3.5168 -3.1545 -3.1545 -2.7973 -2.7973 1.7237 1.7237 1.8286 1.8286 2.0202 2.0202 2.2470 2.2470 2.2903 2.2903 2.5714 2.5714 2.7930 2.7930 3.0935 3.0935 3.4099 3.4099 3.5632 3.5632 3.7332 3.7332 3.8486 3.8486 3.9455 3.9455 4.0376 4.0376 4.3524 4.3524 4.5697 4.5697 4.6600 4.6600 4.7523 4.7523 4.9767 4.9767 5.1038 5.1038 5.2433 5.2433 5.3696 5.3696 5.5175 5.5175 5.6754 5.6754 5.9380 5.9380 6.2071 6.2071 6.3678 6.3678 7.8005 7.8005 8.0213 8.0213 8.2614 8.2614 8.3328 8.3328 8.4662 8.4662 8.6118 8.6118 8.7672 8.7672 8.8259 8.8259 9.0644 9.0644 k =-0.3714-0.4045 0.0635 ( 14491 PWs) bands (ev): -54.0871 -54.0871 -54.0682 -54.0682 -29.9483 -29.9483 -29.9035 -29.9035 -27.5404 -27.5404 -27.4551 -27.4551 -27.3902 -27.3902 -27.3759 -27.3759 -7.5343 -7.5343 -7.4676 -7.4676 -6.2464 -6.2464 -5.6291 -5.6291 -5.5551 -5.5551 -5.3055 -5.3055 -3.7305 -3.7305 -3.5163 -3.5163 -3.1549 -3.1549 -2.8023 -2.8023 1.7103 1.7103 1.8199 1.8199 2.0327 2.0327 2.2423 2.2423 2.2848 2.2848 2.5293 2.5293 2.7927 2.7927 3.0761 3.0761 3.4032 3.4032 3.5603 3.5603 3.7410 3.7410 3.8733 3.8733 3.9639 3.9639 4.0649 4.0649 4.3574 4.3574 4.5624 4.5624 4.6728 4.6728 4.7536 4.7536 4.9885 4.9885 5.0871 5.0871 5.2490 5.2490 5.3675 5.3675 5.5109 5.5109 5.6587 5.6587 5.9403 5.9403 6.2218 6.2218 6.3885 6.3885 7.7853 7.7853 8.0237 8.0237 8.2618 8.2618 8.3444 8.3444 8.4837 8.4837 8.6083 8.6083 8.7610 8.7610 8.8554 8.8554 9.0712 9.0712 k =-0.3571-0.3889 0.0611 ( 14498 PWs) bands (ev): -54.0871 -54.0871 -54.0682 -54.0682 -29.9485 -29.9485 -29.9033 -29.9033 -27.5409 -27.5409 -27.4550 -27.4550 -27.3901 -27.3901 -27.3756 -27.3756 -7.5398 -7.5398 -7.4651 -7.4651 -6.2589 -6.2589 -5.6141 -5.6141 -5.5571 -5.5571 -5.2929 -5.2929 -3.7309 -3.7309 -3.5160 -3.5160 -3.1554 -3.1554 -2.8078 -2.8078 1.6937 1.6937 1.8127 1.8127 2.0449 2.0449 2.2152 2.2152 2.2994 2.2994 2.4901 2.4901 2.7949 2.7949 3.0591 3.0591 3.3913 3.3913 3.5548 3.5548 3.7408 3.7408 3.8974 3.8974 3.9910 3.9910 4.0985 4.0985 4.3621 4.3621 4.5557 4.5557 4.6817 4.6817 4.7588 4.7588 5.0021 5.0021 5.0698 5.0698 5.2546 5.2546 5.3620 5.3620 5.5046 5.5046 5.6466 5.6466 5.9429 5.9429 6.2354 6.2354 6.4089 6.4089 7.7714 7.7714 8.0258 8.0258 8.2614 8.2614 8.3583 8.3583 8.4999 8.4999 8.6039 8.6039 8.7540 8.7540 8.8872 8.8872 9.0798 9.0798 k =-0.3429-0.3734 0.0586 ( 14497 PWs) bands (ev): -54.0872 -54.0872 -54.0682 -54.0682 -29.9487 -29.9487 -29.9032 -29.9032 -27.5414 -27.5414 -27.4549 -27.4549 -27.3900 -27.3900 -27.3752 -27.3752 -7.5455 -7.5455 -7.4625 -7.4625 -6.2715 -6.2715 -5.5996 -5.5996 -5.5571 -5.5571 -5.2806 -5.2806 -3.7310 -3.7310 -3.5160 -3.5160 -3.1559 -3.1559 -2.8137 -2.8137 1.6738 1.6738 1.8073 1.8073 2.0566 2.0566 2.1826 2.1826 2.3133 2.3133 2.4609 2.4609 2.7967 2.7967 3.0434 3.0434 3.3754 3.3754 3.5478 3.5478 3.7372 3.7372 3.9155 3.9155 4.0259 4.0259 4.1370 4.1370 4.3658 4.3658 4.5523 4.5523 4.6858 4.6858 4.7681 4.7681 5.0110 5.0110 5.0584 5.0584 5.2579 5.2579 5.3540 5.3540 5.4998 5.4998 5.6389 5.6389 5.9457 5.9457 6.2484 6.2484 6.4278 6.4278 7.7592 7.7592 8.0274 8.0274 8.2615 8.2615 8.3725 8.3725 8.5144 8.5144 8.6001 8.6001 8.7476 8.7476 8.9175 8.9175 9.0902 9.0902 k =-0.3286-0.3578 0.0562 ( 14500 PWs) bands (ev): -54.0872 -54.0872 -54.0681 -54.0681 -29.9489 -29.9489 -29.9030 -29.9030 -27.5419 -27.5419 -27.4548 -27.4548 -27.3899 -27.3899 -27.3748 -27.3748 -7.5516 -7.5516 -7.4598 -7.4598 -6.2842 -6.2842 -5.5876 -5.5876 -5.5534 -5.5534 -5.2686 -5.2686 -3.7308 -3.7308 -3.5163 -3.5163 -3.1566 -3.1566 -2.8201 -2.8201 1.6510 1.6510 1.8035 1.8035 2.0656 2.0656 2.1478 2.1478 2.3193 2.3193 2.4482 2.4482 2.7964 2.7964 3.0293 3.0293 3.3570 3.3570 3.5397 3.5397 3.7329 3.7329 3.9286 3.9286 4.0646 4.0646 4.1770 4.1770 4.3679 4.3679 4.5540 4.5540 4.6862 4.6862 4.7804 4.7804 5.0039 5.0039 5.0641 5.0641 5.2571 5.2571 5.3454 5.3454 5.4973 5.4973 5.6353 5.6353 5.9488 5.9488 6.2607 6.2607 6.4442 6.4442 7.7494 7.7494 8.0282 8.0282 8.2630 8.2630 8.3856 8.3856 8.5269 8.5269 8.5975 8.5975 8.7426 8.7426 8.9436 8.9436 9.1023 9.1023 k =-0.3143-0.3423 0.0537 ( 14501 PWs) bands (ev): -54.0872 -54.0872 -54.0681 -54.0681 -29.9491 -29.9491 -29.9029 -29.9029 -27.5425 -27.5425 -27.4547 -27.4547 -27.3898 -27.3898 -27.3744 -27.3744 -7.5578 -7.5578 -7.4572 -7.4572 -6.2968 -6.2968 -5.5802 -5.5802 -5.5439 -5.5439 -5.2571 -5.2571 -3.7301 -3.7301 -3.5168 -3.5168 -3.1573 -3.1573 -2.8267 -2.8267 1.6256 1.6256 1.8011 1.8011 2.0625 2.0625 2.1204 2.1204 2.3169 2.3169 2.4529 2.4529 2.7934 2.7934 3.0171 3.0171 3.3376 3.3376 3.5311 3.5311 3.7293 3.7293 3.9393 3.9393 4.1041 4.1041 4.2141 4.2141 4.3688 4.3688 4.5632 4.5632 4.6847 4.6847 4.7941 4.7941 4.9865 4.9865 5.0806 5.0806 5.2511 5.2511 5.3384 5.3384 5.4974 5.4974 5.6358 5.6358 5.9521 5.9521 6.2724 6.2724 6.4576 6.4576 7.7422 7.7422 8.0280 8.0280 8.2659 8.2659 8.3969 8.3969 8.5372 8.5372 8.5968 8.5968 8.7397 8.7397 8.9630 8.9630 9.1155 9.1155 k =-0.3000-0.3267 0.0513 ( 14504 PWs) bands (ev): -54.0873 -54.0873 -54.0681 -54.0681 -29.9493 -29.9493 -29.9027 -29.9027 -27.5431 -27.5431 -27.4546 -27.4546 -27.3897 -27.3897 -27.3739 -27.3739 -7.5643 -7.5643 -7.4545 -7.4545 -6.3093 -6.3093 -5.5765 -5.5765 -5.5296 -5.5296 -5.2461 -5.2461 -3.7290 -3.7290 -3.5176 -3.5176 -3.1583 -3.1583 -2.8337 -2.8337 1.5981 1.5981 1.7997 1.7997 2.0306 2.0306 2.1179 2.1179 2.3116 2.3116 2.4679 2.4679 2.7881 2.7881 3.0064 3.0064 3.3182 3.3182 3.5225 3.5225 3.7271 3.7271 3.9489 3.9489 4.1427 4.1427 4.2431 4.2431 4.3694 4.3694 4.5809 4.5809 4.6828 4.6828 4.8070 4.8070 4.9677 4.9677 5.0995 5.0995 5.2401 5.2401 5.3337 5.3337 5.5001 5.5001 5.6401 5.6401 5.9557 5.9557 6.2832 6.2832 6.4676 6.4676 7.7378 7.7378 8.0266 8.0266 8.2701 8.2701 8.4059 8.4059 8.5449 8.5449 8.5983 8.5983 8.7394 8.7394 8.9744 8.9744 9.1293 9.1293 k =-0.2857-0.3111 0.0488 ( 14495 PWs) bands (ev): -54.0873 -54.0873 -54.0680 -54.0680 -29.9495 -29.9495 -29.9025 -29.9025 -27.5437 -27.5437 -27.4545 -27.4545 -27.3895 -27.3895 -27.3735 -27.3735 -7.5710 -7.5710 -7.4518 -7.4518 -6.3214 -6.3214 -5.5744 -5.5744 -5.5129 -5.5129 -5.2356 -5.2356 -3.7274 -3.7274 -3.5187 -3.5187 -3.1594 -3.1594 -2.8410 -2.8410 1.5692 1.5692 1.7987 1.7987 1.9836 1.9836 2.1284 2.1284 2.3081 2.3081 2.4862 2.4862 2.7816 2.7816 2.9966 2.9966 3.2994 3.2994 3.5147 3.5147 3.7264 3.7264 3.9584 3.9584 4.1788 4.1788 4.2603 4.2603 4.3724 4.3724 4.6056 4.6056 4.6828 4.6828 4.8167 4.8167 4.9519 4.9519 5.1180 5.1180 5.2261 5.2261 5.3309 5.3309 5.5050 5.5050 5.6483 5.6483 5.9595 5.9595 6.2928 6.2928 6.4740 6.4740 7.7364 7.7364 8.0243 8.0243 8.2755 8.2755 8.4127 8.4127 8.5496 8.5496 8.6026 8.6026 8.7418 8.7418 8.9781 8.9781 9.1427 9.1427 k =-0.2714-0.2956 0.0464 ( 14503 PWs) bands (ev): -54.0873 -54.0873 -54.0680 -54.0680 -29.9497 -29.9497 -29.9023 -29.9023 -27.5443 -27.5443 -27.4545 -27.4545 -27.3894 -27.3894 -27.3730 -27.3730 -7.5778 -7.5778 -7.4491 -7.4491 -6.3331 -6.3331 -5.5725 -5.5725 -5.4952 -5.4952 -5.2258 -5.2258 -3.7254 -3.7254 -3.5200 -3.5200 -3.1608 -3.1608 -2.8485 -2.8485 1.5394 1.5394 1.7969 1.7969 1.9335 1.9335 2.1424 2.1424 2.3080 2.3080 2.5031 2.5031 2.7753 2.7753 2.9875 2.9875 3.2815 3.2815 3.5087 3.5087 3.7275 3.7275 3.9684 3.9684 4.2095 4.2095 4.2662 4.2662 4.3797 4.3797 4.6293 4.6293 4.6908 4.6908 4.8200 4.8200 4.9426 4.9426 5.1351 5.1351 5.2113 5.2113 5.3294 5.3294 5.5115 5.5115 5.6601 5.6601 5.9636 5.9636 6.3012 6.3012 6.4767 6.4767 7.7380 7.7380 8.0210 8.0210 8.2816 8.2816 8.4176 8.4176 8.5513 8.5513 8.6095 8.6095 8.7469 8.7469 8.9754 8.9754 9.1551 9.1551 k =-0.2571-0.2800 0.0440 ( 14514 PWs) bands (ev): -54.0874 -54.0874 -54.0680 -54.0680 -29.9500 -29.9500 -29.9021 -29.9021 -27.5449 -27.5449 -27.4544 -27.4544 -27.3893 -27.3893 -27.3725 -27.3725 -7.5847 -7.5847 -7.4464 -7.4464 -6.3444 -6.3444 -5.5705 -5.5705 -5.4772 -5.4772 -5.2166 -5.2166 -3.7229 -3.7229 -3.5216 -3.5216 -3.1624 -3.1624 -2.8561 -2.8561 1.5090 1.5090 1.7903 1.7903 1.8873 1.8873 2.1578 2.1578 2.3116 2.3116 2.5158 2.5158 2.7704 2.7704 2.9796 2.9796 3.2643 3.2643 3.5053 3.5053 3.7300 3.7300 3.9789 3.9789 4.2277 4.2277 4.2688 4.2688 4.3924 4.3924 4.6388 4.6388 4.7156 4.7156 4.8160 4.8160 4.9426 4.9426 5.1499 5.1499 5.1977 5.1977 5.3288 5.3288 5.5193 5.5193 5.6752 5.6752 5.9682 5.9682 6.3080 6.3080 6.4759 6.4759 7.7422 7.7422 8.0171 8.0171 8.2882 8.2882 8.4208 8.4208 8.5508 8.5508 8.6180 8.6180 8.7544 8.7544 8.9680 8.9680 9.1666 9.1666 k =-0.2429-0.2645 0.0415 ( 14520 PWs) bands (ev): -54.0875 -54.0875 -54.0680 -54.0680 -29.9502 -29.9502 -29.9020 -29.9020 -27.5455 -27.5455 -27.4543 -27.4543 -27.3892 -27.3892 -27.3721 -27.3721 -7.5917 -7.5917 -7.4437 -7.4437 -6.3551 -6.3551 -5.5682 -5.5682 -5.4592 -5.4592 -5.2081 -5.2081 -3.7200 -3.7200 -3.5234 -3.5234 -3.1643 -3.1643 -2.8637 -2.8637 1.4786 1.4786 1.7695 1.7695 1.8558 1.8558 2.1737 2.1737 2.3186 2.3186 2.5225 2.5225 2.7670 2.7670 2.9740 2.9740 3.2479 3.2479 3.5048 3.5048 3.7340 3.7340 3.9899 3.9899 4.2245 4.2245 4.2790 4.2790 4.4105 4.4105 4.6361 4.6361 4.7463 4.7463 4.8114 4.8114 4.9506 4.9506 5.1606 5.1606 5.1882 5.1882 5.3289 5.3289 5.5280 5.5280 5.6929 5.6929 5.9734 5.9734 6.3133 6.3133 6.4719 6.4719 7.7489 7.7489 8.0131 8.0131 8.2951 8.2951 8.4228 8.4228 8.5493 8.5493 8.6272 8.6272 8.7635 8.7635 8.9579 8.9579 9.1771 9.1771 k =-0.2286-0.2489 0.0391 ( 14511 PWs) bands (ev): -54.0875 -54.0875 -54.0679 -54.0679 -29.9504 -29.9504 -29.9018 -29.9018 -27.5461 -27.5461 -27.4542 -27.4542 -27.3890 -27.3890 -27.3716 -27.3716 -7.5986 -7.5986 -7.4411 -7.4411 -6.3653 -6.3653 -5.5656 -5.5656 -5.4413 -5.4413 -5.2003 -5.2003 -3.7166 -3.7166 -3.5253 -3.5253 -3.1664 -3.1664 -2.8714 -2.8714 1.4484 1.4484 1.7297 1.7297 1.8447 1.8447 2.1898 2.1898 2.3286 2.3286 2.5230 2.5230 2.7639 2.7639 2.9720 2.9720 3.2325 3.2325 3.5073 3.5073 3.7390 3.7390 4.0012 4.0012 4.2088 4.2088 4.2906 4.2906 4.4328 4.4328 4.6275 4.6275 4.7583 4.7583 4.8255 4.8255 4.9635 4.9635 5.1621 5.1621 5.1886 5.1886 5.3296 5.3296 5.5373 5.5373 5.7123 5.7123 5.9796 5.9796 6.3169 6.3169 6.4650 6.4650 7.7575 7.7575 8.0095 8.0095 8.3020 8.3020 8.4235 8.4235 8.5476 8.5476 8.6362 8.6362 8.7732 8.7732 8.9468 8.9468 9.1869 9.1869 k =-0.2143-0.2334 0.0366 ( 14509 PWs) bands (ev): -54.0875 -54.0875 -54.0679 -54.0679 -29.9506 -29.9506 -29.9016 -29.9016 -27.5466 -27.5466 -27.4542 -27.4542 -27.3889 -27.3889 -27.3711 -27.3711 -7.6055 -7.6055 -7.4385 -7.4385 -6.3750 -6.3750 -5.5626 -5.5626 -5.4237 -5.4237 -5.1931 -5.1931 -3.7128 -3.7128 -3.5273 -3.5273 -3.1689 -3.1689 -2.8790 -2.8790 1.4189 1.4189 1.6810 1.6810 1.8445 1.8445 2.2057 2.2057 2.3415 2.3415 2.5183 2.5183 2.7590 2.7590 2.9744 2.9744 3.2190 3.2190 3.5124 3.5124 3.7448 3.7448 4.0121 4.0121 4.1886 4.1886 4.2993 4.2993 4.4565 4.4565 4.6150 4.6150 4.7523 4.7523 4.8572 4.8572 4.9790 4.9790 5.1574 5.1574 5.1969 5.1969 5.3309 5.3309 5.5470 5.5470 5.7325 5.7325 5.9869 5.9869 6.3189 6.3189 6.4559 6.4559 7.7677 7.7677 8.0067 8.0067 8.3089 8.3089 8.4230 8.4230 8.5464 8.5464 8.6447 8.6447 8.7823 8.7823 8.9365 8.9365 9.1962 9.1962 k =-0.2000-0.2178 0.0342 ( 14500 PWs) bands (ev): -54.0875 -54.0875 -54.0678 -54.0678 -29.9508 -29.9508 -29.9014 -29.9014 -27.5472 -27.5472 -27.4541 -27.4541 -27.3888 -27.3888 -27.3707 -27.3707 -7.6122 -7.6122 -7.4360 -7.4360 -6.3839 -6.3839 -5.5594 -5.5594 -5.4067 -5.4067 -5.1865 -5.1865 -3.7087 -3.7087 -3.5295 -3.5295 -3.1716 -3.1716 -2.8864 -2.8864 1.3902 1.3902 1.6303 1.6303 1.8485 1.8485 2.2210 2.2210 2.3567 2.3567 2.5100 2.5100 2.7512 2.7512 2.9799 2.9799 3.2094 3.2094 3.5196 3.5196 3.7512 3.7512 4.0216 4.0216 4.1670 4.1670 4.3060 4.3060 4.4771 4.4771 4.5999 4.5999 4.7463 4.7463 4.8893 4.8893 4.9956 4.9956 5.1534 5.1534 5.2069 5.2069 5.3327 5.3327 5.5570 5.5570 5.7523 5.7523 5.9955 5.9955 6.3194 6.3194 6.4451 6.4451 7.7788 7.7788 8.0055 8.0055 8.3157 8.3157 8.4213 8.4213 8.5462 8.5462 8.6525 8.6525 8.7890 8.7890 8.9290 8.9290 9.2053 9.2053 k =-0.1857-0.2022 0.0318 ( 14492 PWs) bands (ev): -54.0875 -54.0875 -54.0678 -54.0678 -29.9510 -29.9510 -29.9012 -29.9012 -27.5477 -27.5477 -27.4540 -27.4540 -27.3887 -27.3887 -27.3702 -27.3702 -7.6188 -7.6188 -7.4336 -7.4336 -6.3923 -6.3923 -5.5561 -5.5561 -5.3902 -5.3902 -5.1806 -5.1806 -3.7043 -3.7043 -3.5316 -3.5316 -3.1747 -3.1747 -2.8936 -2.8936 1.3626 1.3626 1.5801 1.5801 1.8547 1.8547 2.2353 2.2353 2.3737 2.3737 2.4999 2.4999 2.7406 2.7406 2.9849 2.9849 3.2065 3.2065 3.5280 3.5280 3.7579 3.7579 4.0280 4.0280 4.1457 4.1457 4.3125 4.3125 4.4895 4.4895 4.5845 4.5845 4.7475 4.7475 4.9162 4.9162 5.0120 5.0120 5.1519 5.1519 5.2173 5.2173 5.3349 5.3349 5.5670 5.5670 5.7708 5.7708 6.0053 6.0053 6.3185 6.3185 6.4338 6.4338 7.7903 7.7903 8.0063 8.0063 8.3220 8.3220 8.4187 8.4187 8.5472 8.5472 8.6594 8.6594 8.7914 8.7914 8.9261 8.9261 9.2145 9.2145 k =-0.1714-0.1867 0.0293 ( 14498 PWs) bands (ev): -54.0876 -54.0876 -54.0678 -54.0678 -29.9512 -29.9512 -29.9011 -29.9011 -27.5482 -27.5482 -27.4540 -27.4540 -27.3886 -27.3886 -27.3698 -27.3698 -7.6252 -7.6252 -7.4313 -7.4313 -6.4000 -6.4000 -5.5525 -5.5525 -5.3745 -5.3745 -5.1753 -5.1753 -3.6997 -3.6997 -3.5338 -3.5338 -3.1780 -3.1780 -2.9006 -2.9006 1.3365 1.3365 1.5316 1.5316 1.8621 1.8621 2.2486 2.2486 2.3911 2.3911 2.4901 2.4901 2.7282 2.7282 2.9855 2.9855 3.2130 3.2130 3.5372 3.5372 3.7646 3.7646 4.0293 4.0293 4.1265 4.1265 4.3204 4.3204 4.4893 4.4893 4.5725 4.5725 4.7580 4.7580 4.9370 4.9370 5.0269 5.0269 5.1531 5.1531 5.2282 5.2282 5.3375 5.3375 5.5768 5.5768 5.7872 5.7872 6.0155 6.0155 6.3168 6.3168 6.4228 6.4228 7.8019 7.8019 8.0093 8.0093 8.3273 8.3273 8.4160 8.4160 8.5494 8.5494 8.6655 8.6655 8.7885 8.7885 8.9290 8.9290 9.2240 9.2240 k =-0.1571-0.1711 0.0269 ( 14499 PWs) bands (ev): -54.0876 -54.0876 -54.0677 -54.0677 -29.9514 -29.9514 -29.9009 -29.9009 -27.5487 -27.5487 -27.4539 -27.4539 -27.3885 -27.3885 -27.3694 -27.3694 -7.6313 -7.6313 -7.4291 -7.4291 -6.4071 -6.4071 -5.5489 -5.5489 -5.3596 -5.3596 -5.1706 -5.1706 -3.6949 -3.6949 -3.5360 -3.5360 -3.1816 -3.1816 -2.9072 -2.9072 1.3118 1.3118 1.4853 1.4853 1.8702 1.8702 2.2606 2.2606 2.4067 2.4067 2.4834 2.4834 2.7152 2.7152 2.9795 2.9795 3.2298 3.2298 3.5464 3.5464 3.7714 3.7714 4.0236 4.0236 4.1105 4.1105 4.3303 4.3303 4.4770 4.4770 4.5654 4.5654 4.7770 4.7770 4.9522 4.9522 5.0387 5.0387 5.1565 5.1565 5.2395 5.2395 5.3403 5.3403 5.5860 5.5860 5.8012 5.8012 6.0251 6.0251 6.3146 6.3146 6.4134 6.4134 7.8134 7.8134 8.0146 8.0146 8.3309 8.3309 8.4140 8.4140 8.5525 8.5525 8.6711 8.6711 8.7809 8.7809 8.9369 8.9369 9.2339 9.2339 k =-0.1429-0.1556 0.0244 ( 14504 PWs) bands (ev): -54.0876 -54.0876 -54.0677 -54.0677 -29.9516 -29.9516 -29.9008 -29.9008 -27.5492 -27.5492 -27.4539 -27.4539 -27.3884 -27.3884 -27.3690 -27.3690 -7.6370 -7.6370 -7.4271 -7.4271 -6.4136 -6.4136 -5.5453 -5.5453 -5.3456 -5.3456 -5.1664 -5.1664 -3.6900 -3.6900 -3.5380 -3.5380 -3.1853 -3.1853 -2.9133 -2.9133 1.2890 1.2890 1.4416 1.4416 1.8787 1.8787 2.2714 2.2714 2.4160 2.4160 2.4842 2.4842 2.7028 2.7028 2.9671 2.9671 3.2554 3.2554 3.5551 3.5551 3.7780 3.7780 4.0112 4.0112 4.0975 4.0975 4.3410 4.3410 4.4590 4.4590 4.5615 4.5615 4.8018 4.8018 4.9632 4.9632 5.0470 5.0470 5.1614 5.1614 5.2512 5.2512 5.3434 5.3434 5.5944 5.5944 5.8126 5.8126 6.0325 6.0325 6.3126 6.3126 6.4067 6.4067 7.8246 7.8246 8.0218 8.0218 8.3321 8.3321 8.4139 8.4139 8.5563 8.5563 8.6761 8.6761 8.7701 8.7701 8.9485 8.9485 9.2444 9.2444 k =-0.1286-0.1400 0.0220 ( 14503 PWs) bands (ev): -54.0876 -54.0876 -54.0677 -54.0677 -29.9517 -29.9517 -29.9007 -29.9007 -27.5496 -27.5496 -27.4539 -27.4539 -27.3883 -27.3883 -27.3687 -27.3687 -7.6424 -7.6424 -7.4251 -7.4251 -6.4193 -6.4193 -5.5418 -5.5418 -5.3327 -5.3327 -5.1627 -5.1627 -3.6852 -3.6852 -3.5400 -3.5400 -3.1891 -3.1891 -2.9190 -2.9190 1.2680 1.2680 1.4010 1.4010 1.8874 1.8874 2.2807 2.2807 2.4163 2.4163 2.4949 2.4949 2.6918 2.6918 2.9504 2.9504 3.2870 3.2870 3.5629 3.5629 3.7844 3.7844 3.9942 3.9942 4.0856 4.0856 4.3479 4.3479 4.4437 4.4437 4.5600 4.5600 4.8290 4.8290 4.9710 4.9710 5.0517 5.0517 5.1669 5.1669 5.2630 5.2630 5.3468 5.3468 5.6013 5.6013 5.8217 5.8217 6.0360 6.0360 6.3116 6.3116 6.4034 6.4034 7.8356 7.8356 8.0302 8.0302 8.3307 8.3307 8.4163 8.4163 8.5604 8.5604 8.6808 8.6808 8.7575 8.7575 8.9622 8.9622 9.2554 9.2554 k =-0.1143-0.1245 0.0195 ( 14498 PWs) bands (ev): -54.0876 -54.0876 -54.0677 -54.0677 -29.9519 -29.9519 -29.9006 -29.9006 -27.5500 -27.5500 -27.4538 -27.4538 -27.3882 -27.3882 -27.3684 -27.3684 -7.6473 -7.6473 -7.4234 -7.4234 -6.4245 -6.4245 -5.5385 -5.5385 -5.3209 -5.3209 -5.1595 -5.1595 -3.6805 -3.6805 -3.5418 -3.5418 -3.1929 -3.1929 -2.9242 -2.9242 1.2492 1.2492 1.3636 1.3636 1.8961 1.8961 2.2887 2.2887 2.4109 2.4109 2.5121 2.5121 2.6829 2.6829 2.9314 2.9314 3.3220 3.3220 3.5694 3.5694 3.7905 3.7905 3.9754 3.9754 4.0733 4.0733 4.3436 4.3436 4.4393 4.4393 4.5622 4.5622 4.8558 4.8558 4.9762 4.9762 5.0538 5.0538 5.1724 5.1724 5.2746 5.2746 5.3507 5.3507 5.6064 5.6064 5.8288 5.8288 6.0349 6.0349 6.3119 6.3119 6.4039 6.4039 7.8465 7.8465 8.0392 8.0392 8.3273 8.3273 8.4207 8.4207 8.5645 8.5645 8.6854 8.6854 8.7442 8.7442 8.9768 8.9768 9.2670 9.2670 k =-0.1000-0.1089 0.0171 ( 14507 PWs) bands (ev): -54.0877 -54.0877 -54.0677 -54.0677 -29.9520 -29.9520 -29.9004 -29.9004 -27.5503 -27.5503 -27.4538 -27.4538 -27.3881 -27.3881 -27.3681 -27.3681 -7.6518 -7.6518 -7.4218 -7.4218 -6.4290 -6.4290 -5.5353 -5.5353 -5.3102 -5.3102 -5.1567 -5.1567 -3.6760 -3.6760 -3.5435 -3.5435 -3.1967 -3.1967 -2.9288 -2.9288 1.2327 1.2327 1.3296 1.3296 1.9044 1.9044 2.2953 2.2953 2.4034 2.4034 2.5312 2.5312 2.6765 2.6765 2.9116 2.9116 3.3584 3.3584 3.5746 3.5746 3.7962 3.7962 3.9571 3.9571 4.0599 4.0599 4.3268 4.3268 4.4453 4.4453 4.5707 4.5707 4.8793 4.8793 4.9788 4.9788 5.0548 5.0548 5.1775 5.1775 5.2858 5.2858 5.3553 5.3553 5.6091 5.6091 5.8343 5.8343 6.0292 6.0292 6.3134 6.3134 6.4081 6.4081 7.8573 7.8573 8.0477 8.0477 8.3231 8.3231 8.4263 8.4263 8.5685 8.5685 8.6896 8.6896 8.7314 8.7314 8.9914 8.9914 9.2794 9.2794 k =-0.0857-0.0933 0.0147 ( 14498 PWs) bands (ev): -54.0877 -54.0877 -54.0676 -54.0676 -29.9521 -29.9521 -29.9004 -29.9004 -27.5506 -27.5506 -27.4538 -27.4538 -27.3881 -27.3881 -27.3678 -27.3678 -7.6557 -7.6557 -7.4204 -7.4204 -6.4329 -6.4329 -5.5325 -5.5325 -5.3009 -5.3009 -5.1544 -5.1544 -3.6719 -3.6719 -3.5449 -3.5449 -3.2003 -3.2003 -2.9328 -2.9328 1.2186 1.2186 1.2993 1.2993 1.9123 1.9123 2.3006 2.3006 2.3959 2.3959 2.5500 2.5500 2.6724 2.6724 2.8924 2.8924 3.3943 3.3943 3.5782 3.5782 3.8011 3.8011 3.9407 3.9407 4.0459 4.0459 4.3035 4.3035 4.4535 4.4535 4.5878 4.5878 4.8971 4.8971 4.9783 4.9783 5.0566 5.0566 5.1820 5.1820 5.2966 5.2966 5.3609 5.3609 5.6089 5.6089 5.8384 5.8384 6.0200 6.0200 6.3158 6.3158 6.4154 6.4154 7.8679 7.8679 8.0551 8.0551 8.3192 8.3192 8.4320 8.4320 8.5722 8.5722 8.6928 8.6928 8.7203 8.7203 9.0053 9.0053 9.2924 9.2924 k =-0.0714-0.0778 0.0122 ( 14503 PWs) bands (ev): -54.0877 -54.0877 -54.0676 -54.0676 -29.9522 -29.9522 -29.9003 -29.9003 -27.5509 -27.5509 -27.4537 -27.4537 -27.3880 -27.3880 -27.3676 -27.3676 -7.6591 -7.6591 -7.4192 -7.4192 -6.4362 -6.4362 -5.5300 -5.5300 -5.2929 -5.2929 -5.1525 -5.1525 -3.6682 -3.6682 -3.5462 -3.5462 -3.2035 -3.2035 -2.9363 -2.9363 1.2071 1.2071 1.2727 1.2727 1.9193 1.9193 2.3046 2.3046 2.3891 2.3891 2.5673 2.5673 2.6702 2.6702 2.8749 2.8749 3.4282 3.4282 3.5804 3.5804 3.8046 3.8046 3.9279 3.9279 4.0318 4.0318 4.2786 4.2786 4.4590 4.4590 4.6135 4.6135 4.9070 4.9070 4.9746 4.9746 5.0611 5.0611 5.1856 5.1856 5.3066 5.3066 5.3681 5.3681 5.6057 5.6057 5.8416 5.8416 6.0089 6.0089 6.3186 6.3186 6.4244 6.4244 7.8781 7.8781 8.0609 8.0609 8.3162 8.3162 8.4371 8.4371 8.5756 8.5756 8.6926 8.6926 8.7138 8.7138 9.0180 9.0180 9.3062 9.3062 k =-0.0571-0.0622 0.0098 ( 14507 PWs) bands (ev): -54.0877 -54.0877 -54.0676 -54.0676 -29.9523 -29.9523 -29.9002 -29.9002 -27.5511 -27.5511 -27.4537 -27.4537 -27.3880 -27.3880 -27.3674 -27.3674 -7.6620 -7.6620 -7.4183 -7.4183 -6.4389 -6.4389 -5.5278 -5.5278 -5.2862 -5.2862 -5.1509 -5.1509 -3.6650 -3.6650 -3.5473 -3.5473 -3.2064 -3.2064 -2.9391 -2.9391 1.1984 1.1984 1.2499 1.2499 1.9254 1.9254 2.3074 2.3074 2.3833 2.3833 2.5828 2.5828 2.6688 2.6688 2.8600 2.8600 3.4586 3.4586 3.5815 3.5815 3.8061 3.8061 3.9197 3.9197 4.0185 4.0185 4.2545 4.2545 4.4615 4.4615 4.6457 4.6457 4.9067 4.9067 4.9696 4.9696 5.0681 5.0681 5.1883 5.1883 5.3151 5.3151 5.3775 5.3775 5.5996 5.5996 5.8440 5.8440 5.9974 5.9974 6.3213 6.3213 6.4339 6.4339 7.8875 7.8875 8.0650 8.0650 8.3147 8.3147 8.4410 8.4410 8.5787 8.5787 8.6871 8.6871 8.7137 8.7137 9.0290 9.0290 9.3206 9.3206 k =-0.0429-0.0467 0.0073 ( 14513 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9002 -29.9002 -27.5513 -27.5513 -27.4537 -27.4537 -27.3879 -27.3879 -27.3673 -27.3673 -7.6642 -7.6642 -7.4175 -7.4175 -6.4410 -6.4410 -5.5261 -5.5261 -5.2810 -5.2810 -5.1498 -5.1498 -3.6624 -3.6624 -3.5481 -3.5481 -3.2087 -3.2087 -2.9413 -2.9413 1.1925 1.1925 1.2311 1.2311 1.9304 1.9304 2.3094 2.3094 2.3787 2.3787 2.5963 2.5963 2.6670 2.6670 2.8485 2.8485 3.4840 3.4840 3.5819 3.5819 3.8055 3.8055 3.9162 3.9162 4.0069 4.0069 4.2329 4.2329 4.4622 4.4622 4.6814 4.6814 4.8953 4.8953 4.9662 4.9662 5.0760 5.0760 5.1901 5.1901 5.3214 5.3214 5.3889 5.3889 5.5913 5.5913 5.8458 5.8458 5.9872 5.9872 6.3237 6.3237 6.4427 6.4427 7.8956 7.8956 8.0673 8.0673 8.3143 8.3143 8.4437 8.4437 8.5813 8.5813 8.6801 8.6801 8.7166 8.7166 9.0379 9.0379 9.3351 9.3351 k =-0.0286-0.0311 0.0049 ( 14518 PWs) bands (ev): -54.0878 -54.0878 -54.0677 -54.0677 -29.9524 -29.9524 -29.9001 -29.9001 -27.5514 -27.5514 -27.4537 -27.4537 -27.3879 -27.3879 -27.3672 -27.3672 -7.6658 -7.6658 -7.4169 -7.4169 -6.4425 -6.4425 -5.5249 -5.5249 -5.2772 -5.2772 -5.1489 -5.1489 -3.6605 -3.6605 -3.5487 -3.5487 -3.2105 -3.2105 -2.9429 -2.9429 1.1896 1.1896 1.2162 1.2162 1.9340 1.9340 2.3106 2.3106 2.3755 2.3755 2.6077 2.6077 2.6642 2.6642 2.8406 2.8406 3.5031 3.5031 3.5822 3.5822 3.8036 3.8036 3.9162 3.9162 3.9977 3.9977 4.2157 4.2157 4.4620 4.4620 4.7176 4.7176 4.8752 4.8752 4.9648 4.9648 5.0828 5.0828 5.1913 5.1913 5.3256 5.3256 5.4007 5.4007 5.5824 5.5824 5.8470 5.8470 5.9792 5.9792 6.3256 6.3256 6.4496 6.4496 7.9019 7.9019 8.0684 8.0684 8.3148 8.3148 8.4451 8.4451 8.5834 8.5834 8.6741 8.6741 8.7196 8.7196 9.0444 9.0444 9.3493 9.3493 k =-0.0143-0.0156 0.0024 ( 14525 PWs) bands (ev): -54.0878 -54.0878 -54.0677 -54.0677 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6668 -7.6668 -7.4166 -7.4166 -6.4433 -6.4433 -5.5241 -5.5241 -5.2750 -5.2750 -5.1484 -5.1484 -3.6593 -3.6593 -3.5490 -3.5490 -3.2115 -3.2115 -2.9439 -2.9439 1.1894 1.1894 1.2057 1.2057 1.9362 1.9362 2.3112 2.3112 2.3735 2.3735 2.6161 2.6161 2.6609 2.6609 2.8361 2.8361 3.5148 3.5148 3.5826 3.5826 3.8016 3.8016 3.9175 3.9175 3.9917 3.9917 4.2044 4.2044 4.4617 4.4617 4.7500 4.7500 4.8520 4.8520 4.9644 4.9644 5.0873 5.0873 5.1919 5.1919 5.3279 5.3279 5.4099 5.4099 5.5751 5.5751 5.8477 5.8477 5.9741 5.9741 6.3268 6.3268 6.4541 6.4541 7.9059 7.9059 8.0688 8.0688 8.3154 8.3154 8.4457 8.4457 8.5847 8.5847 8.6702 8.6702 8.7217 8.7217 9.0483 9.0483 9.3617 9.3617 k = 0.0000 0.0000 0.0000 ( 14525 PWs) bands (ev): -54.0878 -54.0878 -54.0677 -54.0677 -29.9525 -29.9525 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6671 -7.6671 -7.4165 -7.4165 -6.4436 -6.4436 -5.5239 -5.5239 -5.2742 -5.2742 -5.1483 -5.1483 -3.6589 -3.6589 -3.5492 -3.5492 -3.2119 -3.2119 -2.9442 -2.9442 1.1903 1.1903 1.2013 1.2013 1.9370 1.9370 2.3114 2.3114 2.3728 2.3728 2.6194 2.6194 2.6592 2.6592 2.8347 2.8347 3.5187 3.5187 3.5828 3.5828 3.8008 3.8008 3.9182 3.9182 3.9897 3.9897 4.2005 4.2005 4.4616 4.4616 4.7661 4.7661 4.8388 4.8388 4.9643 4.9643 5.0889 5.0889 5.1921 5.1921 5.3286 5.3286 5.4135 5.4135 5.5723 5.5723 5.8480 5.8480 5.9724 5.9724 6.3272 6.3272 6.4556 6.4556 7.9073 7.9073 8.0689 8.0689 8.3157 8.3157 8.4459 8.4459 8.5852 8.5852 8.6689 8.6689 8.7224 8.7224 9.0497 9.0497 9.3679 9.3679 k = 0.0000 0.0000 0.0000 ( 14525 PWs) bands (ev): -54.0878 -54.0878 -54.0677 -54.0677 -29.9525 -29.9525 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6671 -7.6671 -7.4165 -7.4165 -6.4436 -6.4436 -5.5239 -5.5239 -5.2742 -5.2742 -5.1483 -5.1483 -3.6589 -3.6589 -3.5492 -3.5492 -3.2119 -3.2119 -2.9442 -2.9442 1.1903 1.1903 1.2013 1.2013 1.9370 1.9370 2.3114 2.3114 2.3728 2.3728 2.6194 2.6194 2.6592 2.6592 2.8347 2.8347 3.5187 3.5187 3.5828 3.5828 3.8008 3.8008 3.9182 3.9182 3.9897 3.9897 4.2005 4.2005 4.4616 4.4616 4.7661 4.7661 4.8388 4.8388 4.9643 4.9643 5.0889 5.0889 5.1921 5.1921 5.3286 5.3286 5.4135 5.4135 5.5723 5.5723 5.8480 5.8480 5.9724 5.9724 6.3272 6.3272 6.4556 6.4556 7.9073 7.9073 8.0689 8.0689 8.3157 8.3157 8.4459 8.4459 8.5852 8.5852 8.6689 8.6689 8.7224 8.7224 9.0497 9.0497 9.3679 9.3679 k = 0.0000 0.0000 0.0216 ( 14518 PWs) bands (ev): -54.0878 -54.0878 -54.0677 -54.0677 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6667 -7.6667 -7.4165 -7.4165 -6.4442 -6.4442 -5.5242 -5.5242 -5.2743 -5.2743 -5.1482 -5.1482 -3.6589 -3.6589 -3.5492 -3.5492 -3.2111 -3.2111 -2.9437 -2.9437 1.1888 1.1888 1.2035 1.2035 1.9345 1.9345 2.3118 2.3118 2.3748 2.3748 2.6132 2.6132 2.6615 2.6615 2.8373 2.8373 3.5178 3.5178 3.5829 3.5829 3.8008 3.8008 3.9151 3.9151 3.9962 3.9962 4.2016 4.2016 4.4615 4.4615 4.7650 4.7650 4.8402 4.8402 4.9622 4.9622 5.0867 5.0867 5.1919 5.1919 5.3232 5.3232 5.4171 5.4171 5.5688 5.5688 5.8447 5.8447 5.9774 5.9774 6.3282 6.3282 6.4573 6.4573 7.9054 7.9054 8.0701 8.0701 8.3153 8.3153 8.4461 8.4461 8.5845 8.5845 8.6721 8.6721 8.7229 8.7229 9.0494 9.0494 9.3695 9.3695 k = 0.0000 0.0000 0.0432 ( 14513 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6654 -7.6654 -7.4167 -7.4167 -6.4460 -6.4460 -5.5253 -5.5253 -5.2747 -5.2747 -5.1480 -5.1480 -3.6590 -3.6590 -3.5492 -3.5492 -3.2087 -3.2087 -2.9422 -2.9422 1.1859 1.1859 1.2086 1.2086 1.9275 1.9275 2.3106 2.3106 2.3823 2.3823 2.5972 2.5972 2.6660 2.6660 2.8450 2.8450 3.5150 3.5150 3.5832 3.5832 3.7991 3.7991 3.9119 3.9119 4.0109 4.0109 4.2048 4.2048 4.4612 4.4612 4.7621 4.7621 4.8437 4.8437 4.9558 4.9558 5.0805 5.0805 5.1913 5.1913 5.3097 5.3097 5.4248 5.4248 5.5594 5.5594 5.8368 5.8368 5.9900 5.9900 6.3313 6.3313 6.4622 6.4622 7.9001 7.9001 8.0733 8.0733 8.3143 8.3143 8.4467 8.4467 8.5828 8.5828 8.6812 8.6812 8.7244 8.7244 9.0486 9.0486 9.3739 9.3739 k = 0.0000 0.0000 0.0648 ( 14517 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6634 -7.6634 -7.4170 -7.4170 -6.4489 -6.4489 -5.5271 -5.5271 -5.2752 -5.2752 -5.1476 -5.1476 -3.6589 -3.6589 -3.5491 -3.5491 -3.2048 -3.2048 -2.9399 -2.9399 1.1826 1.1826 1.2155 1.2155 1.9176 1.9176 2.3044 2.3044 2.3965 2.3965 2.5758 2.5758 2.6707 2.6707 2.8569 2.8569 3.5098 3.5098 3.5838 3.5838 3.7933 3.7933 3.9165 3.9165 4.0279 4.0279 4.2103 4.2103 4.4602 4.4602 4.7583 4.7583 4.8477 4.8477 4.9451 4.9451 5.0713 5.0713 5.1902 5.1902 5.2926 5.2926 5.4317 5.4317 5.5474 5.5474 5.8273 5.8273 6.0054 6.0054 6.3360 6.3360 6.4705 6.4705 7.8921 7.8921 8.0784 8.0784 8.3130 8.3130 8.4475 8.4475 8.5810 8.5810 8.6946 8.6946 8.7271 8.7271 9.0467 9.0467 9.3786 9.3786 k = 0.0000 0.0000 0.0864 ( 14517 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6606 -7.6606 -7.4175 -7.4175 -6.4530 -6.4530 -5.5295 -5.5295 -5.2760 -5.2760 -5.1471 -5.1471 -3.6589 -3.6589 -3.5487 -3.5487 -3.1997 -3.1997 -2.9368 -2.9368 1.1791 1.1791 1.2241 1.2241 1.9066 1.9066 2.2926 2.2926 2.4135 2.4135 2.5533 2.5533 2.6756 2.6756 2.8723 2.8723 3.5016 3.5016 3.5843 3.5843 3.7846 3.7846 3.9291 3.9291 4.0447 4.0447 4.2182 4.2182 4.4582 4.4582 4.7545 4.7545 4.8499 4.8499 4.9312 4.9312 5.0603 5.0603 5.1883 5.1883 5.2751 5.2751 5.4338 5.4338 5.5371 5.5371 5.8177 5.8177 6.0196 6.0196 6.3418 6.3418 6.4821 6.4821 7.8827 7.8827 8.0849 8.0849 8.3121 8.3121 8.4485 8.4485 8.5796 8.5796 8.7103 8.7103 8.7318 8.7318 9.0432 9.0432 9.3787 9.3787 k = 0.0000 0.0000 0.1080 ( 14517 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6570 -7.6570 -7.4181 -7.4181 -6.4580 -6.4580 -5.5326 -5.5326 -5.2769 -5.2769 -5.1465 -5.1465 -3.6588 -3.6588 -3.5480 -3.5480 -3.1935 -3.1935 -2.9331 -2.9331 1.1752 1.1752 1.2344 1.2344 1.8964 1.8964 2.2764 2.2764 2.4236 2.4236 2.5371 2.5371 2.6814 2.6814 2.8907 2.8907 3.4902 3.4902 3.5845 3.5845 3.7766 3.7766 3.9448 3.9448 4.0610 4.0610 4.2289 4.2289 4.4546 4.4546 4.7509 4.7509 4.8460 4.8460 4.9179 4.9179 5.0486 5.0486 5.1852 5.1852 5.2588 5.2588 5.4294 5.4294 5.5321 5.5321 5.8085 5.8085 6.0302 6.0302 6.3482 6.3482 6.4966 6.4966 7.8730 7.8730 8.0924 8.0924 8.3121 8.3121 8.4496 8.4496 8.5790 8.5790 8.7237 8.7237 8.7416 8.7416 9.0380 9.0380 9.3693 9.3693 k = 0.0000 0.0000 0.1296 ( 14511 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6527 -7.6527 -7.4187 -7.4187 -6.4640 -6.4640 -5.5362 -5.5362 -5.2781 -5.2781 -5.1458 -5.1458 -3.6586 -3.6586 -3.5466 -3.5466 -3.1864 -3.1864 -2.9291 -2.9291 1.1710 1.1710 1.2465 1.2465 1.8881 1.8881 2.2573 2.2573 2.4147 2.4147 2.5366 2.5366 2.6895 2.6895 2.9116 2.9116 3.4758 3.4758 3.5842 3.5842 3.7718 3.7718 3.9586 3.9586 4.0763 4.0763 4.2428 4.2428 4.4495 4.4495 4.7470 4.7470 4.8324 4.8324 4.9105 4.9105 5.0369 5.0369 5.1801 5.1801 5.2459 5.2459 5.4205 5.4205 5.5326 5.5326 5.7994 5.7994 6.0358 6.0358 6.3547 6.3547 6.5132 6.5132 7.8641 7.8641 8.1006 8.1006 8.3136 8.3136 8.4508 8.4508 8.5790 8.5790 8.7316 8.7316 8.7588 8.7588 9.0312 9.0312 9.3470 9.3470 k = 0.0000 0.0000 0.1512 ( 14512 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6477 -7.6477 -7.4195 -7.4195 -6.4709 -6.4709 -5.5404 -5.5404 -5.2794 -5.2794 -5.1451 -5.1451 -3.6582 -3.6582 -3.5445 -3.5445 -3.1787 -3.1787 -2.9249 -2.9249 1.1663 1.1663 1.2604 1.2604 1.8829 1.8829 2.2364 2.2364 2.3885 2.3885 2.5466 2.5466 2.7023 2.7023 2.9345 2.9345 3.4593 3.4593 3.5829 3.5829 3.7714 3.7714 3.9675 3.9675 4.0891 4.0891 4.2588 4.2588 4.4448 4.4448 4.7394 4.7394 4.8136 4.8136 4.9093 4.9093 5.0254 5.0254 5.1714 5.1714 5.2384 5.2384 5.4103 5.4103 5.5365 5.5365 5.7904 5.7904 6.0358 6.0358 6.3610 6.3610 6.5312 6.5312 7.8570 7.8570 8.1094 8.1094 8.3169 8.3169 8.4520 8.4520 8.5796 8.5796 8.7371 8.7371 8.7789 8.7789 9.0232 9.0232 9.3106 9.3106 k = 0.0000 0.0000 0.1728 ( 14512 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6422 -7.6422 -7.4204 -7.4204 -6.4785 -6.4785 -5.5450 -5.5450 -5.2808 -5.2808 -5.1443 -5.1443 -3.6576 -3.6576 -3.5417 -3.5417 -3.1706 -3.1706 -2.9207 -2.9207 1.1611 1.1611 1.2762 1.2762 1.8814 1.8814 2.2145 2.2145 2.3543 2.3543 2.5548 2.5548 2.7224 2.7224 2.9591 2.9591 3.4415 3.4415 3.5805 3.5805 3.7749 3.7749 3.9713 3.9713 4.0975 4.0975 4.2721 4.2721 4.4455 4.4455 4.7222 4.7222 4.8010 4.8010 4.9107 4.9107 5.0145 5.0145 5.1588 5.1588 5.2370 5.2370 5.4013 5.4013 5.5417 5.5417 5.7814 5.7814 6.0302 6.0302 6.3670 6.3670 6.5492 6.5492 7.8524 7.8524 8.1186 8.1186 8.3222 8.3222 8.4533 8.4533 8.5808 8.5808 8.7418 8.7418 8.7988 8.7988 9.0150 9.0150 9.2619 9.2619 k = 0.0000 0.0000 0.1944 ( 14510 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6362 -7.6362 -7.4214 -7.4214 -6.4868 -6.4868 -5.5500 -5.5500 -5.2824 -5.2824 -5.1434 -5.1434 -3.6567 -3.6567 -3.5379 -3.5379 -3.1622 -3.1622 -2.9168 -2.9168 1.1553 1.1553 1.2938 1.2938 1.8840 1.8840 2.1923 2.1923 2.3173 2.3173 2.5550 2.5550 2.7504 2.7504 2.9848 2.9848 3.4230 3.4230 3.5769 3.5769 3.7815 3.7815 3.9710 3.9710 4.1004 4.1004 4.2746 4.2746 4.4586 4.4586 4.6950 4.6950 4.7989 4.7989 4.9127 4.9127 5.0043 5.0043 5.1440 5.1440 5.2405 5.2405 5.3948 5.3948 5.5471 5.5471 5.7723 5.7723 6.0196 6.0196 6.3726 6.3726 6.5663 6.5663 7.8507 7.8507 8.1282 8.1282 8.3294 8.3294 8.4549 8.4549 8.5823 8.5823 8.7457 8.7457 8.8167 8.8167 9.0077 9.0077 9.2046 9.2046 k = 0.0000 0.0000 0.2160 ( 14502 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6298 -7.6298 -7.4225 -7.4225 -6.4955 -6.4955 -5.5552 -5.5552 -5.2840 -5.2840 -5.1426 -5.1426 -3.6555 -3.6555 -3.5334 -3.5334 -3.1539 -3.1539 -2.9133 -2.9133 1.1490 1.1490 1.3132 1.3132 1.8909 1.8909 2.1702 2.1702 2.2802 2.2802 2.5469 2.5469 2.7841 2.7841 3.0109 3.0109 3.4042 3.4042 3.5719 3.5719 3.7900 3.7900 3.9679 3.9679 4.0981 4.0981 4.2629 4.2629 4.4856 4.4856 4.6651 4.6651 4.8027 4.8027 4.9143 4.9143 4.9953 4.9953 5.1290 5.1290 5.2471 5.2471 5.3908 5.3908 5.5521 5.5521 5.7634 5.7634 6.0047 6.0047 6.3778 6.3778 6.5814 6.5814 7.8519 7.8519 8.1381 8.1381 8.3382 8.3382 8.4566 8.4566 8.5843 8.5843 8.7483 8.7483 8.8306 8.8306 9.0024 9.0024 9.1428 9.1428 k = 0.0000 0.0000 0.2376 ( 14497 PWs) bands (ev): -54.0878 -54.0878 -54.0675 -54.0675 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6230 -7.6230 -7.4236 -7.4236 -6.5046 -6.5046 -5.5606 -5.5606 -5.2857 -5.2857 -5.1418 -5.1418 -3.6540 -3.6540 -3.5281 -3.5281 -3.1457 -3.1457 -2.9104 -2.9104 1.1422 1.1422 1.3343 1.3343 1.9020 1.9020 2.1488 2.1488 2.2446 2.2446 2.5321 2.5321 2.8210 2.8210 3.0365 3.0365 3.3851 3.3851 3.5654 3.5654 3.7991 3.7991 3.9633 3.9633 4.0915 4.0915 4.2414 4.2414 4.5193 4.5193 4.6393 4.6393 4.8083 4.8083 4.9154 4.9154 4.9878 4.9878 5.1152 5.1152 5.2551 5.2551 5.3896 5.3896 5.5562 5.5562 5.7547 5.7547 5.9866 5.9866 6.3828 6.3828 6.5938 6.5938 7.8556 7.8556 8.1482 8.1482 8.3483 8.3483 8.4588 8.4588 8.5865 8.5865 8.7484 8.7484 8.8388 8.8388 8.9987 8.9987 9.0829 9.0829 k = 0.0000 0.0000 0.2592 ( 14505 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6160 -7.6160 -7.4248 -7.4248 -6.5138 -6.5138 -5.5661 -5.5661 -5.2874 -5.2874 -5.1411 -5.1411 -3.6521 -3.6521 -3.5221 -3.5221 -3.1378 -3.1378 -2.9082 -2.9082 1.1350 1.1350 1.3568 1.3568 1.9170 1.9170 2.1281 2.1281 2.2116 2.2116 2.5126 2.5126 2.8588 2.8588 3.0603 3.0603 3.3657 3.3657 3.5570 3.5570 3.8077 3.8077 3.9584 3.9584 4.0815 4.0815 4.2165 4.2165 4.5465 4.5465 4.6270 4.6270 4.8132 4.8132 4.9159 4.9159 4.9827 4.9827 5.1039 5.1039 5.2632 5.2632 5.3907 5.3907 5.5593 5.5593 5.7464 5.7464 5.9667 5.9667 6.3877 6.3877 6.6032 6.6032 7.8615 7.8615 8.1579 8.1579 8.3589 8.3589 8.4615 8.4615 8.5891 8.5891 8.7441 8.7441 8.8404 8.8404 8.9848 8.9848 9.0420 9.0420 k = 0.0000 0.0000 0.2808 ( 14507 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6090 -7.6090 -7.4260 -7.4260 -6.5230 -6.5230 -5.5715 -5.5715 -5.2891 -5.2891 -5.1404 -5.1404 -3.6500 -3.6500 -3.5155 -3.5155 -3.1304 -3.1304 -2.9067 -2.9067 1.1276 1.1276 1.3806 1.3806 1.9352 1.9352 2.1085 2.1085 2.1824 2.1824 2.4901 2.4901 2.8959 2.8959 3.0803 3.0803 3.3466 3.3466 3.5461 3.5461 3.8149 3.8149 3.9536 3.9536 4.0692 4.0692 4.1932 4.1932 4.5516 4.5516 4.6393 4.6393 4.8161 4.8161 4.9161 4.9161 4.9808 4.9808 5.0958 5.0958 5.2705 5.2705 5.3940 5.3940 5.5613 5.5613 5.7384 5.7384 5.9464 5.9464 6.3929 6.3929 6.6093 6.6093 7.8686 7.8686 8.1663 8.1663 8.3695 8.3695 8.4653 8.4653 8.5920 8.5920 8.7325 8.7325 8.8360 8.8360 8.9473 8.9473 9.0382 9.0382 k = 0.0000 0.0000 0.3024 ( 14506 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6020 -7.6020 -7.4272 -7.4272 -6.5320 -6.5320 -5.5769 -5.5769 -5.2907 -5.2907 -5.1397 -5.1397 -3.6477 -3.6477 -3.5085 -3.5085 -3.1235 -3.1235 -2.9059 -2.9059 1.1201 1.1201 1.4051 1.4051 1.9553 1.9553 2.0903 2.0903 2.1580 2.1580 2.4659 2.4659 2.9308 2.9308 3.0942 3.0942 3.3295 3.3295 3.5323 3.5323 3.8199 3.8199 3.9486 3.9486 4.0570 4.0570 4.1742 4.1742 4.5437 4.5437 4.6635 4.6635 4.8166 4.8166 4.9169 4.9169 4.9825 4.9825 5.0912 5.0912 5.2761 5.2761 5.3987 5.3987 5.5625 5.5625 5.7306 5.7306 5.9275 5.9275 6.3984 6.3984 6.6124 6.6124 7.8764 7.8764 8.1717 8.1717 8.3792 8.3792 8.4707 8.4707 8.5949 8.5949 8.7115 8.7115 8.8275 8.8275 8.9119 8.9119 9.0492 9.0492 k = 0.0000 0.0000 0.3240 ( 14507 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.5951 -7.5951 -7.4285 -7.4285 -6.5407 -6.5407 -5.5820 -5.5820 -5.2923 -5.2923 -5.1392 -5.1392 -3.6452 -3.6452 -3.5012 -3.5012 -3.1172 -3.1172 -2.9057 -2.9057 1.1126 1.1126 1.4299 1.4299 1.9746 1.9746 2.0746 2.0746 2.1402 2.1402 2.4413 2.4413 2.9620 2.9620 3.0990 3.0990 3.3173 3.3173 3.5159 3.5159 3.8224 3.8224 3.9422 3.9422 4.0483 4.0483 4.1607 4.1607 4.5354 4.5354 4.6830 4.6830 4.8156 4.8156 4.9200 4.9200 4.9872 4.9872 5.0901 5.0901 5.2799 5.2799 5.4034 5.4034 5.5635 5.5635 5.7229 5.7229 5.9112 5.9112 6.4047 6.4047 6.6125 6.6125 7.8842 7.8842 8.1721 8.1721 8.3873 8.3873 8.4781 8.4781 8.5975 8.5975 8.6835 8.6835 8.8166 8.8166 8.8890 8.8890 9.0640 9.0640 k = 0.0000 0.0000 0.3456 ( 14510 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.5886 -7.5886 -7.4297 -7.4297 -6.5489 -6.5489 -5.5867 -5.5867 -5.2937 -5.2937 -5.1387 -5.1387 -3.6427 -3.6427 -3.4940 -3.4940 -3.1116 -3.1116 -2.9061 -2.9061 1.1054 1.1054 1.4545 1.4545 1.9886 1.9886 2.0624 2.0624 2.1319 2.1319 2.4176 2.4176 2.9866 2.9866 3.0943 3.0943 3.3123 3.3123 3.4981 3.4981 3.8221 3.8221 3.9332 3.9332 4.0456 4.0456 4.1526 4.1526 4.5303 4.5303 4.6920 4.6920 4.8139 4.8139 4.9266 4.9266 4.9936 4.9936 5.0922 5.0922 5.2818 5.2818 5.4066 5.4066 5.5649 5.5649 5.7156 5.7156 5.8987 5.8987 6.4118 6.4118 6.6102 6.6102 7.8915 7.8915 8.1654 8.1654 8.3938 8.3938 8.4874 8.4874 8.5979 8.5979 8.6570 8.6570 8.8040 8.8040 8.8767 8.8767 9.0795 9.0795 k = 0.0000 0.0000 0.3672 ( 14515 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.5825 -7.5825 -7.4308 -7.4308 -6.5564 -6.5564 -5.5911 -5.5911 -5.2950 -5.2950 -5.1383 -5.1383 -3.6403 -3.6403 -3.4870 -3.4870 -3.1068 -3.1068 -2.9068 -2.9068 1.0986 1.0986 1.4781 1.4781 1.9932 1.9932 2.0533 2.0533 2.1370 2.1370 2.3956 2.3956 2.9976 2.9976 3.0870 3.0870 3.3133 3.3133 3.4813 3.4813 3.8185 3.8185 3.9223 3.9223 4.0490 4.0490 4.1494 4.1494 4.5284 4.5284 4.6910 4.6910 4.8114 4.8114 4.9362 4.9362 5.0011 5.0011 5.0970 5.0970 5.2821 5.2821 5.4067 5.4067 5.5668 5.5668 5.7098 5.7098 5.8902 5.8902 6.4200 6.4200 6.6057 6.6057 7.8980 7.8980 8.1505 8.1505 8.3992 8.3992 8.4970 8.4970 8.5937 8.5937 8.6418 8.6418 8.7900 8.7900 8.8711 8.8711 9.0943 9.0943 k = 0.0000 0.0000 0.3888 ( 14511 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.5771 -7.5771 -7.4319 -7.4319 -6.5631 -6.5631 -5.5949 -5.5949 -5.2961 -5.2961 -5.1379 -5.1379 -3.6380 -3.6380 -3.4804 -3.4804 -3.1028 -3.1028 -2.9079 -2.9079 1.0925 1.0925 1.5001 1.5001 1.9903 1.9903 2.0441 2.0441 2.1556 2.1556 2.3763 2.3763 2.9860 2.9860 3.0897 3.0897 3.3161 3.3161 3.4690 3.4690 3.8115 3.8115 3.9113 3.9113 4.0564 4.0564 4.1502 4.1502 4.5292 4.5292 4.6839 4.6839 4.8074 4.8074 4.9467 4.9467 5.0091 5.0091 5.1037 5.1037 5.2814 5.2814 5.4029 5.4029 5.5689 5.5689 5.7065 5.7065 5.8850 5.8850 6.4292 6.4292 6.5996 6.5996 7.9036 7.9036 8.1284 8.1284 8.4040 8.4040 8.5041 8.5041 8.5879 8.5879 8.6396 8.6396 8.7752 8.7752 8.8693 8.8693 9.1076 9.1076 k = 0.0000 0.0000 0.4104 ( 14505 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.5724 -7.5724 -7.4329 -7.4329 -6.5687 -6.5687 -5.5982 -5.5982 -5.2971 -5.2971 -5.1376 -5.1376 -3.6360 -3.6360 -3.4746 -3.4746 -3.0996 -3.0996 -2.9090 -2.9090 1.0872 1.0872 1.5196 1.5196 1.9851 1.9851 2.0338 2.0338 2.1820 2.1820 2.3603 2.3603 2.9574 2.9574 3.1015 3.1015 3.3159 3.3159 3.4640 3.4640 3.8015 3.8015 3.9017 3.9017 4.0654 4.0654 4.1541 4.1541 4.5312 4.5312 4.6749 4.6749 4.8018 4.8018 4.9560 4.9560 5.0176 5.0176 5.1114 5.1114 5.2801 5.2801 5.3958 5.3958 5.5703 5.5703 5.7066 5.7066 5.8822 5.8822 6.4393 6.4393 6.5925 6.5925 7.9083 7.9083 8.1024 8.1024 8.4085 8.4085 8.5062 8.5062 8.5879 8.5879 8.6445 8.6445 8.7598 8.7598 8.8694 8.8694 9.1188 9.1188 k = 0.0000 0.0000 0.4320 ( 14504 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.5685 -7.5685 -7.4337 -7.4337 -6.5733 -6.5733 -5.6007 -5.6007 -5.2978 -5.2978 -5.1374 -5.1374 -3.6344 -3.6344 -3.4697 -3.4697 -3.0971 -3.0971 -2.9101 -2.9101 1.0828 1.0828 1.5358 1.5358 1.9810 1.9810 2.0231 2.0231 2.2100 2.2100 2.3479 2.3479 2.9239 2.9239 3.1149 3.1149 3.3115 3.3115 3.4663 3.4663 3.7901 3.7901 3.8942 3.8942 4.0740 4.0740 4.1598 4.1598 4.5330 4.5330 4.6673 4.6673 4.7952 4.7952 4.9628 4.9628 5.0257 5.0257 5.1193 5.1193 5.2786 5.2786 5.3869 5.3869 5.5706 5.5706 5.7095 5.7095 5.8810 5.8810 6.4495 6.4495 6.5849 6.5849 7.9120 7.9120 8.0765 8.0765 8.4126 8.4126 8.5043 8.5043 8.5937 8.5937 8.6530 8.6530 8.7441 8.7441 8.8704 8.8704 9.1276 9.1276 k = 0.0000 0.0000 0.4536 ( 14504 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.5657 -7.5657 -7.4343 -7.4343 -6.5766 -6.5766 -5.6026 -5.6026 -5.2983 -5.2983 -5.1373 -5.1373 -3.6332 -3.6332 -3.4661 -3.4661 -3.0954 -3.0954 -2.9109 -2.9109 1.0796 1.0796 1.5480 1.5480 1.9791 1.9791 2.0132 2.0132 2.2346 2.2346 2.3393 2.3393 2.8938 2.8938 3.1263 3.1263 3.3049 3.3049 3.4725 3.4725 3.7794 3.7794 3.8888 3.8888 4.0809 4.0809 4.1657 4.1657 4.5337 4.5337 4.6627 4.6627 4.7888 4.7888 4.9671 4.9671 5.0325 5.0325 5.1261 5.1261 5.2775 5.2775 5.3781 5.3781 5.5702 5.5702 5.7137 5.7137 5.8805 5.8805 6.4587 6.4587 6.5778 6.5778 7.9148 7.9148 8.0548 8.0548 8.4158 8.4158 8.5013 8.5013 8.6009 8.6009 8.6637 8.6637 8.7286 8.7286 8.8714 8.8714 9.1340 9.1340 k = 0.0000 0.0000 0.4752 ( 14507 PWs) bands (ev): -54.0878 -54.0878 -54.0675 -54.0675 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3878 -27.3878 -27.3671 -27.3671 -7.5640 -7.5640 -7.4347 -7.4347 -6.5786 -6.5786 -5.6038 -5.6038 -5.2987 -5.2987 -5.1372 -5.1372 -3.6324 -3.6324 -3.4638 -3.4638 -3.0944 -3.0944 -2.9115 -2.9115 1.0777 1.0777 1.5555 1.5555 1.9791 1.9791 2.0056 2.0056 2.2515 2.2515 2.3345 2.3345 2.8729 2.8729 3.1338 3.1338 3.2992 3.2992 3.4784 3.4784 3.7717 3.7717 3.8857 3.8857 4.0852 4.0852 4.1701 4.1701 4.5336 4.5336 4.6608 4.6608 4.7841 4.7841 4.9694 4.9694 5.0369 5.0369 5.1308 5.1308 5.2768 5.2768 5.3717 5.3717 5.5696 5.5696 5.7171 5.7171 5.8804 5.8804 6.4654 6.4654 6.5725 6.5725 7.9166 7.9166 8.0404 8.0404 8.4180 8.4180 8.4990 8.4990 8.6062 8.6062 8.6757 8.6757 8.7140 8.7140 8.8722 8.8722 9.1378 9.1378 k = 0.0000 0.0000 0.4968 ( 14506 PWs) bands (ev): -54.0878 -54.0878 -54.0675 -54.0675 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3878 -27.3878 -27.3671 -27.3671 -7.5634 -7.5634 -7.4348 -7.4348 -6.5793 -6.5793 -5.6042 -5.6042 -5.2988 -5.2988 -5.1372 -5.1372 -3.6321 -3.6321 -3.4631 -3.4631 -3.0941 -3.0941 -2.9117 -2.9117 1.0770 1.0770 1.5581 1.5581 1.9796 1.9796 2.0025 2.0025 2.2575 2.2575 2.3330 2.3330 2.8654 2.8654 3.1364 3.1364 3.2971 3.2971 3.4808 3.4808 3.7689 3.7689 3.8846 3.8846 4.0867 4.0867 4.1717 4.1717 4.5334 4.5334 4.6605 4.6605 4.7823 4.7823 4.9701 4.9701 5.0385 5.0385 5.1324 5.1324 5.2766 5.2766 5.3694 5.3694 5.5693 5.5693 5.7184 5.7184 5.8803 5.8803 6.4679 6.4679 6.5705 6.5705 7.9172 7.9172 8.0353 8.0353 8.4187 8.4187 8.4982 8.4982 8.6081 8.6081 8.6831 8.6831 8.7058 8.7058 8.8725 8.8725 9.1391 9.1391 k = 0.0000-0.4439 0.2672 ( 14512 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.5869 -7.5869 -7.4359 -7.4359 -6.4353 -6.4353 -5.7393 -5.7393 -5.2741 -5.2741 -5.1537 -5.1537 -3.8471 -3.8471 -3.3864 -3.3864 -3.1690 -3.1690 -2.7164 -2.7164 1.1874 1.1874 1.7686 1.7686 2.0324 2.0324 2.1250 2.1250 2.4010 2.4010 2.4762 2.4762 2.5924 2.5924 2.9117 2.9117 3.3749 3.3749 3.5057 3.5057 3.7094 3.7094 3.9196 3.9196 4.0839 4.0839 4.1676 4.1676 4.3440 4.3440 4.6778 4.6778 4.6926 4.6926 4.9598 4.9598 4.9653 4.9653 5.1095 5.1095 5.1656 5.1656 5.2380 5.2380 5.5174 5.5174 5.6440 5.6440 5.8310 5.8310 6.3440 6.3440 6.6575 6.6575 7.4643 7.4643 8.2325 8.2325 8.4553 8.4553 8.4708 8.4708 8.5849 8.5849 8.7164 8.7164 8.7309 8.7309 9.3040 9.3040 9.3960 9.3960 k = 0.0000-0.4254 0.2560 ( 14504 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5514 -27.5514 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.5873 -7.5873 -7.4358 -7.4358 -6.4353 -6.4353 -5.7383 -5.7383 -5.2741 -5.2741 -5.1537 -5.1537 -3.8465 -3.8465 -3.3873 -3.3873 -3.1689 -3.1689 -2.7173 -2.7173 1.1877 1.1877 1.7606 1.7606 2.0400 2.0400 2.1231 2.1231 2.3992 2.3992 2.4796 2.4796 2.5934 2.5934 2.9121 2.9121 3.3715 3.3715 3.5043 3.5043 3.7121 3.7121 3.9187 3.9187 4.0822 4.0822 4.1695 4.1695 4.3447 4.3447 4.6765 4.6765 4.6961 4.6961 4.9525 4.9525 4.9746 4.9746 5.1081 5.1081 5.1668 5.1668 5.2388 5.2388 5.5168 5.5168 5.6460 5.6460 5.8314 5.8314 6.3445 6.3445 6.6561 6.6561 7.4656 7.4656 8.2328 8.2328 8.4343 8.4343 8.4890 8.4890 8.5854 8.5854 8.7141 8.7141 8.7352 8.7352 9.3024 9.3024 9.3963 9.3963 k = 0.0000-0.4070 0.2449 ( 14511 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.5885 -7.5885 -7.4354 -7.4354 -6.4356 -6.4356 -5.7355 -5.7355 -5.2740 -5.2740 -5.1537 -5.1537 -3.8447 -3.8447 -3.3899 -3.3899 -3.1684 -3.1684 -2.7200 -2.7200 1.1885 1.1885 1.7391 1.7391 2.0595 2.0595 2.1180 2.1180 2.3949 2.3949 2.4882 2.4882 2.5965 2.5965 2.9134 2.9134 3.3619 3.3619 3.5000 3.5000 3.7197 3.7197 3.9161 3.9161 4.0782 4.0782 4.1743 4.1743 4.3467 4.3467 4.6747 4.6747 4.7042 4.7042 4.9445 4.9445 4.9879 4.9879 5.1048 5.1048 5.1701 5.1701 5.2413 5.2413 5.5155 5.5155 5.6518 5.6518 5.8326 5.8326 6.3461 6.3461 6.6522 6.6522 7.4694 7.4694 8.2335 8.2335 8.4054 8.4054 8.5096 8.5096 8.5872 8.5872 8.7107 8.7107 8.7443 8.7443 9.2974 9.2974 9.3970 9.3970 k = 0.0000-0.3885 0.2338 ( 14510 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.5904 -7.5904 -7.4348 -7.4348 -6.4360 -6.4360 -5.7308 -5.7308 -5.2740 -5.2740 -5.1537 -5.1537 -3.8416 -3.8416 -3.3943 -3.3943 -3.1676 -3.1676 -2.7245 -2.7245 1.1897 1.1897 1.7091 1.7091 2.0813 2.0813 2.1151 2.1151 2.3897 2.3897 2.4992 2.4992 2.6021 2.6021 2.9161 2.9161 3.3471 3.3471 3.4930 3.4930 3.7307 3.7307 3.9123 3.9123 4.0745 4.0745 4.1801 4.1801 4.3495 4.3495 4.6745 4.6745 4.7149 4.7149 4.9375 4.9375 5.0021 5.0021 5.1015 5.1015 5.1746 5.1746 5.2452 5.2452 5.5140 5.5140 5.6607 5.6607 5.8346 5.8346 6.3488 6.3488 6.6458 6.6458 7.4756 7.4756 8.2342 8.2342 8.3750 8.3750 8.5261 8.5261 8.5907 8.5907 8.7085 8.7085 8.7557 8.7557 9.2893 9.2893 9.3981 9.3981 k = 0.0000-0.3700 0.2226 ( 14514 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.5931 -7.5931 -7.4340 -7.4340 -6.4365 -6.4365 -5.7243 -5.7243 -5.2739 -5.2739 -5.1537 -5.1537 -3.8374 -3.8374 -3.4002 -3.4002 -3.1667 -3.1667 -2.7307 -2.7307 1.1914 1.1914 1.6745 1.6745 2.0837 2.0837 2.1324 2.1324 2.3849 2.3849 2.5098 2.5098 2.6104 2.6104 2.9206 2.9206 3.3289 3.3289 3.4834 3.4834 3.7435 3.7435 3.9079 3.9079 4.0728 4.0728 4.1862 4.1862 4.3522 4.3522 4.6759 4.6759 4.7274 4.7274 4.9312 4.9312 5.0147 5.0147 5.1009 5.1009 5.1797 5.1797 5.2505 5.2505 5.5132 5.5132 5.6722 5.6722 5.8376 5.8376 6.3524 6.3524 6.6372 6.6372 7.4842 7.4842 8.2343 8.2343 8.3448 8.3448 8.5378 8.5378 8.5961 8.5961 8.7080 8.7080 8.7686 8.7686 9.2785 9.2785 9.3993 9.3993 k = 0.0000-0.3515 0.2115 ( 14518 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.5964 -7.5964 -7.4330 -7.4330 -6.4371 -6.4371 -5.7162 -5.7162 -5.2738 -5.2738 -5.1536 -5.1536 -3.8320 -3.8320 -3.4074 -3.4074 -3.1658 -3.1658 -2.7386 -2.7386 1.1933 1.1933 1.6378 1.6378 2.0723 2.0723 2.1621 2.1621 2.3812 2.3812 2.5184 2.5184 2.6212 2.6212 2.9277 2.9277 3.3089 3.3089 3.4718 3.4718 3.7564 3.7564 3.9036 3.9036 4.0734 4.0734 4.1924 4.1924 4.3543 4.3543 4.6788 4.6788 4.7413 4.7413 4.9255 4.9255 5.0225 5.0225 5.1055 5.1055 5.1848 5.1848 5.2574 5.2574 5.5138 5.5138 5.6855 5.6855 5.8415 5.8415 6.3568 6.3568 6.6265 6.6265 7.4950 7.4950 8.2321 8.2321 8.3169 8.3169 8.5452 8.5452 8.6026 8.6026 8.7093 8.7093 8.7823 8.7823 9.2651 9.2651 9.4004 9.4004 k = 0.0000-0.3330 0.2004 ( 14509 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6002 -7.6002 -7.4319 -7.4319 -6.4378 -6.4378 -5.7067 -5.7067 -5.2737 -5.2737 -5.1536 -5.1536 -3.8255 -3.8255 -3.4157 -3.4157 -3.1650 -3.1650 -2.7479 -2.7479 1.1953 1.1953 1.6004 1.6004 2.0582 2.0582 2.1920 2.1920 2.3791 2.3791 2.5249 2.5249 2.6331 2.6331 2.9377 2.9377 3.2886 3.2886 3.4590 3.4590 3.7681 3.7681 3.9000 3.9000 4.0760 4.0760 4.1996 4.1996 4.3553 4.3553 4.6826 4.6826 4.7566 4.7566 4.9207 4.9207 5.0240 5.0240 5.1157 5.1157 5.1898 5.1898 5.2661 5.2661 5.5163 5.5163 5.7002 5.7002 5.8466 5.8466 6.3618 6.3618 6.6143 6.6143 7.5079 7.5079 8.2247 8.2247 8.2949 8.2949 8.5496 8.5496 8.6090 8.6090 8.7121 8.7121 8.7961 8.7961 9.2492 9.2492 9.4009 9.4009 k = 0.0000-0.3145 0.1892 ( 14513 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6045 -7.6045 -7.4307 -7.4307 -6.4385 -6.4385 -5.6959 -5.6959 -5.2736 -5.2736 -5.1535 -5.1535 -3.8179 -3.8179 -3.4249 -3.4249 -3.1646 -3.1646 -2.7587 -2.7587 1.1973 1.1973 1.5633 1.5633 2.0434 2.0434 2.2187 2.2187 2.3790 2.3790 2.5296 2.5296 2.6446 2.6446 2.9509 2.9509 3.2693 3.2693 3.4462 3.4462 3.7776 3.7776 3.8975 3.8975 4.0795 4.0795 4.2087 4.2087 4.3549 4.3549 4.6868 4.6868 4.7728 4.7728 4.9171 4.9171 5.0209 5.0209 5.1281 5.1281 5.1946 5.1946 5.2769 5.2769 5.5209 5.5209 5.7162 5.7162 5.8530 5.8530 6.3671 6.3671 6.6007 6.6007 7.5228 7.5228 8.2092 8.2092 8.2822 8.2822 8.5521 8.5521 8.6138 8.6138 8.7164 8.7164 8.8095 8.8095 9.2307 9.2307 9.3999 9.3999 k = 0.0000-0.2960 0.1781 ( 14515 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6092 -7.6092 -7.4294 -7.4294 -6.4393 -6.4393 -5.6839 -5.6839 -5.2735 -5.2735 -5.1534 -5.1534 -3.8093 -3.8093 -3.4348 -3.4348 -3.1644 -3.1644 -2.7707 -2.7707 1.1991 1.1991 1.5271 1.5271 2.0289 2.0289 2.2405 2.2405 2.3813 2.3813 2.5333 2.5333 2.6544 2.6544 2.9665 2.9665 3.2525 3.2525 3.4352 3.4352 3.7845 3.7845 3.8958 3.8958 4.0827 4.0827 4.2205 4.2205 4.3531 4.3531 4.6908 4.6908 4.7897 4.7897 4.9153 4.9153 5.0156 5.0156 5.1388 5.1388 5.1995 5.1995 5.2894 5.2894 5.5276 5.5276 5.7331 5.7331 5.8607 5.8607 6.3723 6.3723 6.5862 6.5862 7.5395 7.5395 8.1878 8.1878 8.2773 8.2773 8.5537 8.5537 8.6162 8.6162 8.7218 8.7218 8.8219 8.8219 9.2095 9.2095 9.3958 9.3958 k = 0.0000-0.2775 0.1670 ( 14512 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6141 -7.6141 -7.4281 -7.4281 -6.4400 -6.4400 -5.6711 -5.6711 -5.2734 -5.2734 -5.1532 -5.1532 -3.7998 -3.7998 -3.4452 -3.4452 -3.1648 -3.1648 -2.7837 -2.7837 1.2006 1.2006 1.4920 1.4920 2.0151 2.0151 2.2569 2.2569 2.3856 2.3856 2.5364 2.5364 2.6617 2.6617 2.9829 2.9829 3.2397 3.2397 3.4275 3.4275 3.7884 3.7884 3.8944 3.8944 4.0851 4.0851 4.2352 4.2352 4.3500 4.3500 4.6942 4.6942 4.8069 4.8069 4.9163 4.9163 5.0096 5.0096 5.1456 5.1456 5.2053 5.2053 5.3027 5.3027 5.5360 5.5360 5.7509 5.7509 5.8699 5.8699 6.3767 6.3767 6.5713 6.5713 7.5581 7.5581 8.1648 8.1648 8.2763 8.2763 8.5546 8.5546 8.6159 8.6159 8.7276 8.7276 8.8327 8.8327 9.1857 9.1857 9.3872 9.3872 k = 0.0000-0.2590 0.1558 ( 14504 PWs) bands (ev): -54.0878 -54.0878 -54.0675 -54.0675 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6192 -7.6192 -7.4268 -7.4268 -6.4406 -6.4406 -5.6577 -5.6577 -5.2734 -5.2734 -5.1531 -5.1531 -3.7895 -3.7895 -3.4558 -3.4558 -3.1657 -3.1657 -2.7975 -2.7975 1.2016 1.2016 1.4584 1.4584 2.0023 2.0023 2.2685 2.2685 2.3913 2.3913 2.5393 2.5393 2.6662 2.6662 2.9976 2.9976 3.2327 3.2327 3.4248 3.4248 3.7896 3.7896 3.8929 3.8929 4.0865 4.0865 4.2524 4.2524 4.3459 4.3459 4.6965 4.6965 4.8238 4.8238 4.9209 4.9209 5.0038 5.0038 5.1481 5.1481 5.2120 5.2120 5.3158 5.3158 5.5455 5.5455 5.7692 5.7692 5.8805 5.8805 6.3798 6.3798 6.5564 6.5564 7.5786 7.5786 8.1431 8.1431 8.2768 8.2768 8.5551 8.5551 8.6131 8.6131 8.7335 8.7335 8.8411 8.8411 9.1595 9.1595 9.3764 9.3764 k = 0.0000-0.2405 0.1447 ( 14507 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6245 -7.6245 -7.4256 -7.4256 -6.4413 -6.4413 -5.6438 -5.6438 -5.2733 -5.2733 -5.1528 -5.1528 -3.7785 -3.7785 -3.4665 -3.4665 -3.1672 -3.1672 -2.8120 -2.8120 1.2020 1.2020 1.4265 1.4265 1.9907 1.9907 2.2765 2.2765 2.3970 2.3970 2.5421 2.5421 2.6683 2.6683 3.0074 3.0074 3.2336 3.2336 3.4285 3.4285 3.7884 3.7884 3.8905 3.8905 4.0867 4.0867 4.2710 4.2710 4.3410 4.3410 4.6975 4.6975 4.8396 4.8396 4.9297 4.9297 4.9990 4.9990 5.1471 5.1471 5.2193 5.2193 5.3275 5.3275 5.5555 5.5555 5.7879 5.7879 5.8923 5.8923 6.3808 6.3808 6.5422 6.5422 7.6008 7.6008 8.1243 8.1243 8.2780 8.2780 8.5548 8.5548 8.6081 8.6081 8.7387 8.7387 8.8464 8.8464 9.1324 9.1324 9.3667 9.3667 k = 0.0000-0.2220 0.1336 ( 14507 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6297 -7.6297 -7.4243 -7.4243 -6.4418 -6.4418 -5.6298 -5.6298 -5.2733 -5.2733 -5.1525 -5.1525 -3.7668 -3.7668 -3.4771 -3.4771 -3.1694 -3.1694 -2.8269 -2.8269 1.2017 1.2017 1.3965 1.3965 1.9804 1.9804 2.2821 2.2821 2.4018 2.4018 2.5447 2.5447 2.6684 2.6684 3.0100 3.0100 3.2435 3.2435 3.4391 3.4391 3.7853 3.7853 3.8871 3.8871 4.0860 4.0860 4.2891 4.2891 4.3368 4.3368 4.6974 4.6974 4.8537 4.8537 4.9429 4.9429 4.9959 4.9959 5.1438 5.1438 5.2266 5.2266 5.3371 5.3371 5.5652 5.5652 5.8064 5.8064 5.9049 5.9049 6.3791 6.3791 6.5291 6.5291 7.6249 7.6249 8.1090 8.1090 8.2793 8.2793 8.5535 8.5535 8.6017 8.6017 8.7429 8.7429 8.8474 8.8474 9.1062 9.1062 9.3596 9.3596 k = 0.0000-0.2035 0.1224 ( 14519 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6348 -7.6348 -7.4231 -7.4231 -6.4423 -6.4423 -5.6158 -5.6158 -5.2733 -5.2733 -5.1522 -5.1522 -3.7547 -3.7547 -3.4874 -3.4874 -3.1722 -3.1722 -2.8419 -2.8419 1.2008 1.2008 1.3684 1.3684 1.9714 1.9714 2.2863 2.2863 2.4052 2.4052 2.5474 2.5474 2.6671 2.6671 3.0048 3.0048 3.2618 3.2618 3.4561 3.4561 3.7810 3.7810 3.8823 3.8823 4.0842 4.0842 4.3014 4.3014 4.3376 4.3376 4.6964 4.6964 4.8654 4.8654 4.9587 4.9587 4.9964 4.9964 5.1394 5.1394 5.2337 5.2337 5.3443 5.3443 5.5742 5.5742 5.8246 5.8246 5.9175 5.9175 6.3744 6.3744 6.5176 6.5176 7.6507 7.6507 8.0975 8.0975 8.2807 8.2807 8.5500 8.5500 8.5952 8.5952 8.7458 8.7458 8.8431 8.8431 9.0833 9.0833 9.3552 9.3552 k = 0.0000-0.1850 0.1113 ( 14518 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6397 -7.6397 -7.4220 -7.4220 -6.4427 -6.4427 -5.6021 -5.6021 -5.2733 -5.2733 -5.1518 -5.1518 -3.7424 -3.7424 -3.4973 -3.4973 -3.1755 -3.1755 -2.8568 -2.8568 1.1993 1.1993 1.3423 1.3423 1.9637 1.9637 2.2899 2.2899 2.4068 2.4068 2.5503 2.5503 2.6652 2.6652 2.9930 2.9930 3.2866 3.2866 3.4783 3.4783 3.7765 3.7765 3.8765 3.8765 4.0812 4.0812 4.3019 4.3019 4.3491 4.3491 4.6950 4.6950 4.8749 4.8749 4.9710 4.9710 5.0056 5.0056 5.1347 5.1347 5.2406 5.2406 5.3491 5.3491 5.5821 5.5821 5.8419 5.8419 5.9291 5.9291 6.3670 6.3670 6.5077 6.5077 7.6781 7.6781 8.0898 8.0898 8.2821 8.2821 8.5435 8.5435 8.5901 8.5901 8.7472 8.7472 8.8325 8.8325 9.0657 9.0657 9.3532 9.3532 k = 0.0000-0.1665 0.1002 ( 14520 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6445 -7.6445 -7.4210 -7.4210 -6.4430 -6.4430 -5.5889 -5.5889 -5.2733 -5.2733 -5.1514 -5.1514 -3.7300 -3.7300 -3.5066 -3.5066 -3.1795 -3.1795 -2.8712 -2.8712 1.1973 1.1973 1.3184 1.3184 1.9573 1.9573 2.2931 2.2931 2.4066 2.4066 2.5537 2.5537 2.6635 2.6635 2.9767 2.9767 3.3155 3.3155 3.5036 3.5036 3.7728 3.7728 3.8699 3.8699 4.0767 4.0767 4.2948 4.2948 4.3666 4.3666 4.6939 4.6939 4.8821 4.8821 4.9760 4.9760 5.0254 5.0254 5.1307 5.1307 5.2477 5.2477 5.3517 5.3517 5.5886 5.5886 5.8579 5.8579 5.9388 5.9388 6.3580 6.3580 6.4991 6.4991 7.7067 7.7067 8.0853 8.0853 8.2836 8.2836 8.5336 8.5336 8.5874 8.5874 8.7468 8.7468 8.8160 8.8160 9.0540 9.0540 9.3529 9.3529 k = 0.0000-0.1480 0.0891 ( 14512 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6489 -7.6489 -7.4201 -7.4201 -6.4432 -6.4432 -5.5765 -5.5765 -5.2734 -5.2734 -5.1509 -5.1509 -3.7177 -3.7177 -3.5153 -3.5153 -3.1838 -3.1838 -2.8850 -2.8850 1.1951 1.1951 1.2965 1.2965 1.9519 1.9519 2.2961 2.2961 2.4048 2.4048 2.5579 2.5579 2.6623 2.6623 2.9575 2.9575 3.3465 3.3465 3.5293 3.5293 3.7716 3.7716 3.8628 3.8628 4.0706 4.0706 4.2847 4.2847 4.3849 4.3849 4.6937 4.6937 4.8869 4.8869 4.9777 4.9777 5.0486 5.0486 5.1292 5.1292 5.2555 5.2555 5.3525 5.3525 5.5936 5.5936 5.8719 5.8719 5.9456 5.9456 6.3484 6.3484 6.4915 6.4915 7.7362 7.7362 8.0834 8.0834 8.2854 8.2854 8.5212 8.5212 8.5867 8.5867 8.7443 8.7443 8.7955 8.7955 9.0476 9.0476 9.3540 9.3540 k = 0.0000-0.1295 0.0779 ( 14514 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6529 -7.6529 -7.4192 -7.4192 -6.4434 -6.4434 -5.5650 -5.5650 -5.2735 -5.2735 -5.1504 -5.1504 -3.7059 -3.7059 -3.5231 -3.5231 -3.1885 -3.1885 -2.8978 -2.8978 1.1927 1.1927 1.2769 1.2769 1.9477 1.9477 2.2989 2.2989 2.4014 2.4014 2.5635 2.5635 2.6618 2.6618 2.9367 2.9367 3.3781 3.3781 3.5522 3.5522 3.7748 3.7748 3.8557 3.8557 4.0629 4.0629 4.2729 4.2729 4.4024 4.4024 4.6954 4.6954 4.8892 4.8892 4.9782 4.9782 5.0682 5.0682 5.1331 5.1331 5.2654 5.2654 5.3519 5.3519 5.5969 5.5969 5.8829 5.8829 5.9497 5.9497 6.3398 6.3398 6.4845 6.4845 7.7660 7.7660 8.0831 8.0831 8.2877 8.2877 8.5075 8.5075 8.5873 8.5873 8.7389 8.7389 8.7741 8.7741 9.0449 9.0449 9.3561 9.3561 k = 0.0000-0.1110 0.0668 ( 14512 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6565 -7.6565 -7.4185 -7.4185 -6.4435 -6.4435 -5.5546 -5.5546 -5.2737 -5.2737 -5.1500 -5.1500 -3.6948 -3.6948 -3.5300 -3.5300 -3.1933 -3.1933 -2.9095 -2.9095 1.1905 1.1905 1.2593 1.2593 1.9443 1.9443 2.3016 2.3016 2.3969 2.3969 2.5705 2.5705 2.6621 2.6621 2.9155 2.9155 3.4090 3.4090 3.5696 3.5696 3.7836 3.7836 3.8494 3.8494 4.0538 4.0538 4.2601 4.2601 4.4181 4.4181 4.6998 4.6998 4.8889 4.8889 4.9776 4.9776 5.0794 5.0794 5.1443 5.1443 5.2786 5.2786 5.3506 5.3506 5.5985 5.5985 5.8890 5.8890 5.9521 5.9521 6.3331 6.3331 6.4780 6.4780 7.7953 7.7953 8.0833 8.0833 8.2908 8.2908 8.4938 8.4938 8.5884 8.5884 8.7284 8.7284 8.7565 8.7565 9.0446 9.0446 9.3588 9.3588 k = 0.0000-0.0925 0.0557 ( 14510 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6597 -7.6597 -7.4179 -7.4179 -6.4436 -6.4436 -5.5456 -5.5456 -5.2738 -5.2738 -5.1495 -5.1495 -3.6846 -3.6846 -3.5359 -3.5359 -3.1981 -3.1981 -2.9197 -2.9197 1.1886 1.1886 1.2439 1.2439 1.9418 1.9418 2.3041 2.3041 2.3916 2.3916 2.5790 2.5790 2.6627 2.6627 2.8948 2.8948 3.4381 3.4381 3.5802 3.5802 3.7964 3.7964 3.8463 3.8463 4.0433 4.0433 4.2466 4.2466 4.4317 4.4317 4.7072 4.7072 4.8854 4.8854 4.9758 4.9758 5.0839 5.0839 5.1590 5.1590 5.2961 5.2961 5.3498 5.3498 5.5979 5.5979 5.8884 5.8884 5.9550 5.9550 6.3287 6.3287 6.4720 6.4720 7.8235 7.8235 8.0828 8.0828 8.2949 8.2949 8.4809 8.4809 8.5894 8.5894 8.7125 8.7125 8.7454 8.7454 9.0454 9.0454 9.3617 9.3617 k = 0.0000-0.0740 0.0445 ( 14509 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6623 -7.6623 -7.4174 -7.4174 -6.4436 -6.4436 -5.5379 -5.5379 -5.2739 -5.2739 -5.1491 -5.1491 -3.6758 -3.6758 -3.5407 -3.5407 -3.2025 -3.2025 -2.9283 -2.9283 1.1874 1.1874 1.2307 1.2307 1.9399 1.9399 2.3064 2.3064 2.3860 2.3860 2.5888 2.5888 2.6632 2.6632 2.8756 2.8756 3.4643 3.4643 3.5849 3.5849 3.8061 3.8061 3.8520 3.8520 4.0318 4.0318 4.2331 4.2331 4.4428 4.4428 4.7180 4.7180 4.8787 4.8787 4.9728 4.9728 5.0857 5.0857 5.1720 5.1720 5.3150 5.3150 5.3526 5.3526 5.5949 5.5949 5.8812 5.8812 5.9592 5.9592 6.3265 6.3265 6.4666 6.4666 7.8496 7.8496 8.0810 8.0810 8.2999 8.2999 8.4694 8.4694 8.5897 8.5897 8.6963 8.6963 8.7378 8.7378 9.0466 9.0466 9.3643 9.3643 k = 0.0000-0.0555 0.0334 ( 14509 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6644 -7.6644 -7.4170 -7.4170 -6.4436 -6.4436 -5.5318 -5.5318 -5.2740 -5.2740 -5.1488 -5.1488 -3.6686 -3.6686 -3.5444 -3.5444 -3.2064 -3.2064 -2.9352 -2.9352 1.1871 1.1871 1.2195 1.2195 1.9385 1.9385 2.3084 2.3084 2.3809 2.3809 2.5991 2.5991 2.6630 2.6630 2.8590 2.8590 3.4866 3.4866 3.5856 3.5856 3.8074 3.8074 3.8694 3.8694 4.0194 4.0194 4.2205 4.2205 4.4513 4.4513 4.7316 4.7316 4.8686 4.8686 4.9696 4.9696 5.0869 5.0869 5.1815 5.1815 5.3263 5.3263 5.3661 5.3661 5.5895 5.5895 5.8702 5.8702 5.9641 5.9641 6.3260 6.3260 6.4621 6.4621 7.8725 7.8725 8.0778 8.0778 8.3054 8.3054 8.4597 8.4597 8.5891 8.5891 8.6833 8.6833 8.7317 8.7317 9.0479 9.0479 9.3662 9.3663 k = 0.0000-0.0370 0.0223 ( 14516 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6659 -7.6659 -7.4167 -7.4167 -6.4436 -6.4436 -5.5274 -5.5274 -5.2741 -5.2741 -5.1485 -5.1485 -3.6633 -3.6633 -3.5471 -3.5471 -3.2094 -3.2094 -2.9401 -2.9401 1.1878 1.1878 1.2105 1.2105 1.9377 1.9377 2.3100 2.3100 2.3766 2.3766 2.6089 2.6089 2.6618 2.6618 2.8459 2.8459 3.5039 3.5039 3.5846 3.5846 3.8046 3.8046 3.8913 3.8913 4.0066 4.0066 4.2100 4.2100 4.4571 4.4571 4.7466 4.7466 4.8562 4.8562 4.9668 4.9668 5.0879 5.0879 5.1876 5.1876 5.3288 5.3288 5.3878 5.3878 5.5823 5.5823 5.8591 5.8591 5.9685 5.9685 6.3264 6.3264 6.4586 6.4586 7.8909 7.8909 8.0738 8.0738 8.3106 8.3106 8.4523 8.4523 8.5875 8.5875 8.6748 8.6748 8.7268 8.7268 9.0488 9.0488 9.3673 9.3673 k = 0.0000-0.0185 0.0111 ( 14521 PWs) bands (ev): -54.0878 -54.0878 -54.0676 -54.0676 -29.9524 -29.9524 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6668 -7.6668 -7.4165 -7.4165 -6.4436 -6.4436 -5.5248 -5.5248 -5.2742 -5.2742 -5.1483 -5.1483 -3.6600 -3.6600 -3.5486 -3.5486 -3.2113 -3.2113 -2.9432 -2.9432 1.1893 1.1893 1.2040 1.2040 1.9372 1.9372 2.3111 2.3111 2.3738 2.3738 2.6165 2.6165 2.6601 2.6601 2.8376 2.8376 3.5149 3.5149 3.5833 3.5833 3.8019 3.8019 3.9102 3.9102 3.9950 3.9950 4.2030 4.2030 4.4605 4.4605 4.7601 4.7601 4.8443 4.8443 4.9650 4.9650 5.0886 5.0886 5.1910 5.1910 5.3288 5.3288 5.4063 5.4063 5.5753 5.5753 5.8509 5.8509 5.9713 5.9713 6.3269 6.3269 6.4564 6.4564 7.9030 7.9030 8.0703 8.0703 8.3143 8.3143 8.4475 8.4475 8.5859 8.5859 8.6703 8.6703 8.7236 8.7236 9.0494 9.0494 9.3678 9.3678 k = 0.0000 0.0000 0.0000 ( 14525 PWs) bands (ev): -54.0878 -54.0878 -54.0677 -54.0677 -29.9525 -29.9525 -29.9001 -29.9001 -27.5515 -27.5515 -27.4537 -27.4537 -27.3879 -27.3879 -27.3671 -27.3671 -7.6671 -7.6671 -7.4165 -7.4165 -6.4436 -6.4436 -5.5239 -5.5239 -5.2742 -5.2742 -5.1483 -5.1483 -3.6589 -3.6589 -3.5492 -3.5492 -3.2119 -3.2119 -2.9442 -2.9442 1.1903 1.1903 1.2013 1.2013 1.9370 1.9370 2.3114 2.3114 2.3728 2.3728 2.6194 2.6194 2.6592 2.6592 2.8347 2.8347 3.5187 3.5187 3.5828 3.5828 3.8008 3.8008 3.9182 3.9182 3.9897 3.9897 4.2005 4.2005 4.4616 4.4616 4.7661 4.7661 4.8388 4.8388 4.9643 4.9643 5.0889 5.0889 5.1921 5.1921 5.3286 5.3286 5.4135 5.4135 5.5723 5.5723 5.8480 5.8480 5.9724 5.9724 6.3272 6.3272 6.4556 6.4556 7.9073 7.9073 8.0689 8.0689 8.3157 8.3157 8.4459 8.4459 8.5852 8.5852 8.6689 8.6689 8.7224 8.7224 9.0497 9.0497 9.3679 9.3679 Writing output data file Te4MoBr.save init_run : 0.93s CPU 1.08s WALL ( 1 calls) electrons : 777.76s CPU 783.82s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 777.76s CPU 783.81s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.18s CPU 0.22s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.13s WALL ( 195 calls) cegterg : 738.60s CPU 743.72s WALL ( 548 calls) Called by sum_band: Called by *egterg: h_psi : 374.18s CPU 378.63s WALL ( 9887 calls) s_psi : 42.04s CPU 42.15s WALL ( 9887 calls) g_psi : 0.72s CPU 0.69s WALL ( 9144 calls) cdiaghg : 262.61s CPU 263.40s WALL ( 9339 calls) cegterg:over : 36.83s CPU 36.56s WALL ( 9144 calls) cegterg:upda : 25.90s CPU 26.27s WALL ( 9144 calls) cegterg:last : 15.50s CPU 15.52s WALL ( 1133 calls) cdiaghg:chol : 10.75s CPU 11.17s WALL ( 9339 calls) cdiaghg:inve : 8.56s CPU 8.49s WALL ( 9339 calls) cdiaghg:para : 17.86s CPU 18.08s WALL ( 18678 calls) Called by h_psi: h_psi:vloc : 303.75s CPU 307.95s WALL ( 9887 calls) h_psi:vnl : 69.68s CPU 69.86s WALL ( 9887 calls) add_vuspsi : 36.70s CPU 36.89s WALL ( 9887 calls) General routines calbec : 32.92s CPU 32.93s WALL ( 9887 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 289.42s CPU 293.12s WALL ( 1363360 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.24s CPU 0.44s WALL ( 390 calls) Parallel routines fft_scatter : 190.88s CPU 192.98s WALL ( 1363383 calls) PWSCF : 14m 4.25s CPU 14m36.68s WALL This run was terminated on: 4:44:52 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=