Program PWSCF v.5.1.1 starts on 19Jun2016 at 16:46:43 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./KMnTe2.save/ file Mn.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 226 63 18 8194 1230 189 Max 227 64 19 8195 1249 191 Sum 10861 3067 879 393319 59483 9117 bravais-lattice index = 14 lattice parameter (alat) = 15.3224 a.u. unit-cell volume = 1023.6717 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 57.0000 Ry charge density cutoff = 803.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.322419 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.845240 celldm(5)= -0.845240 celldm(6)= 0.690480 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.690480 0.723351 0.000000 ) a(3) = ( -0.845240 -0.361676 0.393395 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.954557 1.270986 ) b(2) = ( 0.000000 1.382454 1.270986 ) b(3) = ( 0.000000 0.000000 2.541971 ) PseudoPot. # 1 for Mn read from file: /home/autes/Pseudo/Mn.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 5689fa97e257199ddb8f72ed56aebbb6 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1187 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 K read from file: /home/autes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Te read from file: /home/autes/Pseudo/Te_MT_PBE.UPF MD5 check sum: 58ccb0a2ae5f507b1c31ab9daa3b9941 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1245 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential Mn 15.00 54.93800 Mn( 1.00) K 9.00 39.09830 K( 1.00) Te 6.00 127.60000 Te( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 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_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 306 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0000000 0.0000000 0.0254197), wk = 0.0032680 k( 3) = ( 0.0000000 0.0000000 0.0508394), wk = 0.0032680 k( 4) = ( 0.0000000 0.0000000 0.0762591), wk = 0.0032680 k( 5) = ( 0.0000000 0.0000000 0.1016789), wk = 0.0032680 k( 6) = ( 0.0000000 0.0000000 0.1270986), wk = 0.0032680 k( 7) = ( 0.0000000 0.0000000 0.1525183), wk = 0.0032680 k( 8) = ( 0.0000000 0.0000000 0.1779380), wk = 0.0032680 k( 9) = ( 0.0000000 0.0000000 0.2033577), wk = 0.0032680 k( 10) = ( 0.0000000 0.0000000 0.2287774), wk = 0.0032680 k( 11) = ( 0.0000000 0.0000000 0.2541971), wk = 0.0032680 k( 12) = ( 0.0000000 0.0000000 0.2796169), wk = 0.0032680 k( 13) = ( 0.0000000 0.0000000 0.3050366), wk = 0.0032680 k( 14) = ( 0.0000000 0.0000000 0.3304563), wk = 0.0032680 k( 15) = ( 0.0000000 0.0000000 0.3558760), wk = 0.0032680 k( 16) = ( 0.0000000 0.0000000 0.3812957), wk = 0.0032680 k( 17) = ( 0.0000000 0.0000000 0.4067154), wk = 0.0032680 k( 18) = ( 0.0000000 0.0000000 0.4321351), wk = 0.0032680 k( 19) = ( 0.0000000 0.0000000 0.4575549), wk = 0.0032680 k( 20) = ( 0.0000000 0.0000000 0.4829746), wk = 0.0032680 k( 21) = ( 0.0000000 0.0000000 0.5083943), wk = 0.0032680 k( 22) = ( 0.0000000 0.0000000 0.5338140), wk = 0.0032680 k( 23) = ( 0.0000000 0.0000000 0.5592337), wk = 0.0032680 k( 24) = ( 0.0000000 0.0000000 0.5846534), wk = 0.0032680 k( 25) = ( 0.0000000 0.0000000 0.6100731), wk = 0.0032680 k( 26) = ( 0.0000000 0.0000000 0.6354929), wk = 0.0032680 k( 27) = ( 0.0000000 0.0000000 0.6609126), wk = 0.0032680 k( 28) = ( 0.0000000 0.0000000 0.6863323), wk = 0.0032680 k( 29) = ( 0.0000000 0.0000000 0.7117520), wk = 0.0032680 k( 30) = ( 0.0000000 0.0000000 0.7371717), wk = 0.0032680 k( 31) = ( 0.0000000 0.0000000 0.7625914), wk = 0.0032680 k( 32) = ( 0.0000000 0.0000000 0.7880111), wk = 0.0032680 k( 33) = ( 0.0000000 0.0000000 0.8134309), wk = 0.0032680 k( 34) = ( 0.0000000 0.0000000 0.8388506), wk = 0.0032680 k( 35) = ( 0.0000000 0.0000000 0.8642703), wk = 0.0032680 k( 36) = ( 0.0000000 0.0000000 0.8896900), wk = 0.0032680 k( 37) = ( 0.0000000 0.0000000 0.9151097), wk = 0.0032680 k( 38) = ( 0.0000000 0.0000000 0.9405294), wk = 0.0032680 k( 39) = ( 0.0000000 0.0000000 0.9659491), wk = 0.0032680 k( 40) = ( 0.0000000 0.0000000 0.9913689), wk = 0.0032680 k( 41) = ( 0.0000000 0.0000000 1.0167886), wk = 0.0032680 k( 42) = ( 0.0000000 0.0000000 1.0422083), wk = 0.0032680 k( 43) = ( 0.0000000 0.0000000 1.0676280), wk = 0.0032680 k( 44) = ( 0.0000000 0.0000000 1.0930477), wk = 0.0032680 k( 45) = ( 0.0000000 0.0000000 1.1184674), wk = 0.0032680 k( 46) = ( 0.0000000 0.0000000 1.1438871), wk = 0.0032680 k( 47) = ( 0.0000000 0.0000000 1.1693069), wk = 0.0032680 k( 48) = ( 0.0000000 0.0000000 1.1947266), wk = 0.0032680 k( 49) = ( 0.0000000 0.0000000 1.2201463), wk = 0.0032680 k( 50) = ( 0.0000000 0.0000000 1.2455660), wk = 0.0032680 k( 51) = ( 0.0000000 0.0000000 1.2709857), wk = 0.0032680 k( 52) = ( 0.0000000 0.0000000 1.2709857), wk = 0.0032680 k( 53) = ( -0.0091548 0.0213949 1.2709857), wk = 0.0032680 k( 54) = ( -0.0183096 0.0427897 1.2709857), wk = 0.0032680 k( 55) = ( -0.0274644 0.0641846 1.2709857), wk = 0.0032680 k( 56) = ( -0.0366192 0.0855794 1.2709857), wk = 0.0032680 k( 57) = ( -0.0457740 0.1069743 1.2709857), wk = 0.0032680 k( 58) = ( -0.0457740 0.1069743 1.2709857), wk = 0.0032680 k( 59) = ( -0.0528713 0.1235607 1.2529446), wk = 0.0032680 k( 60) = ( -0.0599685 0.1401471 1.2349035), wk = 0.0032680 k( 61) = ( -0.0670658 0.1567335 1.2168625), wk = 0.0032680 k( 62) = ( -0.0741631 0.1733200 1.1988214), wk = 0.0032680 k( 63) = ( -0.0812604 0.1899064 1.1807803), wk = 0.0032680 k( 64) = ( -0.0883577 0.2064928 1.1627392), wk = 0.0032680 k( 65) = ( -0.0954549 0.2230792 1.1446981), wk = 0.0032680 k( 66) = ( -0.1025522 0.2396657 1.1266570), wk = 0.0032680 k( 67) = ( -0.1096495 0.2562521 1.1086159), wk = 0.0032680 k( 68) = ( -0.1167468 0.2728385 1.0905748), wk = 0.0032680 k( 69) = ( -0.1238441 0.2894249 1.0725337), wk = 0.0032680 k( 70) = ( -0.1309414 0.3060113 1.0544927), wk = 0.0032680 k( 71) = ( -0.1380386 0.3225978 1.0364516), wk = 0.0032680 k( 72) = ( -0.1451359 0.3391842 1.0184105), wk = 0.0032680 k( 73) = ( -0.1522332 0.3557706 1.0003694), wk = 0.0032680 k( 74) = ( -0.1593305 0.3723570 0.9823283), wk = 0.0032680 k( 75) = ( -0.1664278 0.3889434 0.9642872), wk = 0.0032680 k( 76) = ( -0.1735250 0.4055299 0.9462461), wk = 0.0032680 k( 77) = ( -0.1806223 0.4221163 0.9282051), wk = 0.0032680 k( 78) = ( -0.1877196 0.4387027 0.9101640), wk = 0.0032680 k( 79) = ( -0.1948169 0.4552891 0.8921229), wk = 0.0032680 k( 80) = ( -0.2019142 0.4718756 0.8740818), wk = 0.0032680 k( 81) = ( -0.2090114 0.4884620 0.8560407), wk = 0.0032680 k( 82) = ( -0.2161087 0.5050484 0.8379996), wk = 0.0032680 k( 83) = ( -0.2232060 0.5216348 0.8199585), wk = 0.0032680 k( 84) = ( -0.2303033 0.5382213 0.8019175), wk = 0.0032680 k( 85) = ( -0.2374006 0.5548077 0.7838764), wk = 0.0032680 k( 86) = ( -0.2444979 0.5713941 0.7658353), wk = 0.0032680 k( 87) = ( -0.2515951 0.5879805 0.7477942), wk = 0.0032680 k( 88) = ( -0.2586924 0.6045669 0.7297531), wk = 0.0032680 k( 89) = ( -0.2657897 0.6211534 0.7117120), wk = 0.0032680 k( 90) = ( -0.2728870 0.6377398 0.6936709), wk = 0.0032680 k( 91) = ( -0.2728870 0.6377398 0.6936709), wk = 0.0032680 k( 92) = ( -0.2658899 0.6213875 0.6758845), wk = 0.0032680 k( 93) = ( -0.2588928 0.6050352 0.6580980), wk = 0.0032680 k( 94) = ( -0.2518957 0.5886829 0.6403116), wk = 0.0032680 k( 95) = ( -0.2448986 0.5723306 0.6225252), wk = 0.0032680 k( 96) = ( -0.2379015 0.5559783 0.6047388), wk = 0.0032680 k( 97) = ( -0.2309044 0.5396260 0.5869523), wk = 0.0032680 k( 98) = ( -0.2239073 0.5232737 0.5691659), wk = 0.0032680 k( 99) = ( -0.2169102 0.5069214 0.5513795), wk = 0.0032680 k( 100) = ( -0.2099131 0.4905691 0.5335930), wk = 0.0032680 k( 101) = ( -0.2029160 0.4742168 0.5158066), wk = 0.0032680 k( 102) = ( -0.1959189 0.4578645 0.4980201), wk = 0.0032680 k( 103) = ( -0.1889218 0.4415122 0.4802337), wk = 0.0032680 k( 104) = ( -0.1819247 0.4251599 0.4624473), wk = 0.0032680 k( 105) = ( -0.1749276 0.4088076 0.4446609), wk = 0.0032680 k( 106) = ( -0.1679305 0.3924552 0.4268744), wk = 0.0032680 k( 107) = ( -0.1609334 0.3761030 0.4090880), wk = 0.0032680 k( 108) = ( -0.1539362 0.3597507 0.3913015), wk = 0.0032680 k( 109) = ( -0.1469391 0.3433984 0.3735151), wk = 0.0032680 k( 110) = ( -0.1399420 0.3270460 0.3557287), wk = 0.0032680 k( 111) = ( -0.1329449 0.3106937 0.3379422), wk = 0.0032680 k( 112) = ( -0.1259478 0.2943414 0.3201558), wk = 0.0032680 k( 113) = ( -0.1189507 0.2779891 0.3023694), wk = 0.0032680 k( 114) = ( -0.1119536 0.2616368 0.2845830), wk = 0.0032680 k( 115) = ( -0.1049565 0.2452845 0.2667965), wk = 0.0032680 k( 116) = ( -0.0979594 0.2289322 0.2490101), wk = 0.0032680 k( 117) = ( -0.0909623 0.2125799 0.2312236), wk = 0.0032680 k( 118) = ( -0.0839652 0.1962276 0.2134372), wk = 0.0032680 k( 119) = ( -0.0769681 0.1798753 0.1956508), wk = 0.0032680 k( 120) = ( -0.0699710 0.1635230 0.1778643), wk = 0.0032680 k( 121) = ( -0.0629739 0.1471707 0.1600779), wk = 0.0032680 k( 122) = ( -0.0559768 0.1308184 0.1422915), wk = 0.0032680 k( 123) = ( -0.0489797 0.1144661 0.1245050), wk = 0.0032680 k( 124) = ( -0.0419826 0.0981138 0.1067186), wk = 0.0032680 k( 125) = ( -0.0349855 0.0817615 0.0889322), wk = 0.0032680 k( 126) = ( -0.0279884 0.0654092 0.0711457), wk = 0.0032680 k( 127) = ( -0.0209913 0.0490569 0.0533593), wk = 0.0032680 k( 128) = ( -0.0139942 0.0327046 0.0355729), wk = 0.0032680 k( 129) = ( -0.0069971 0.0163523 0.0177864), wk = 0.0032680 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 132) = ( 0.0227273 0.0097249 0.0000000), wk = 0.0032680 k( 133) = ( 0.0454546 0.0194499 0.0000000), wk = 0.0032680 k( 134) = ( 0.0681818 0.0291748 0.0000000), wk = 0.0032680 k( 135) = ( 0.0909091 0.0388997 0.0000000), wk = 0.0032680 k( 136) = ( 0.1136364 0.0486247 0.0000000), wk = 0.0032680 k( 137) = ( 0.1363636 0.0583496 0.0000000), wk = 0.0032680 k( 138) = ( 0.1590909 0.0680745 0.0000000), wk = 0.0032680 k( 139) = ( 0.1818182 0.0777995 0.0000000), wk = 0.0032680 k( 140) = ( 0.2045454 0.0875244 0.0000000), wk = 0.0032680 k( 141) = ( 0.2272727 0.0972493 0.0000000), wk = 0.0032680 k( 142) = ( 0.2500000 0.1069743 0.0000000), wk = 0.0032680 k( 143) = ( 0.2727273 0.1166992 0.0000000), wk = 0.0032680 k( 144) = ( 0.2954545 0.1264241 0.0000000), wk = 0.0032680 k( 145) = ( 0.3181818 0.1361491 0.0000000), wk = 0.0032680 k( 146) = ( 0.3409091 0.1458740 0.0000000), wk = 0.0032680 k( 147) = ( 0.3636364 0.1555989 0.0000000), wk = 0.0032680 k( 148) = ( 0.3863636 0.1653239 0.0000000), wk = 0.0032680 k( 149) = ( 0.4090909 0.1750488 0.0000000), wk = 0.0032680 k( 150) = ( 0.4318182 0.1847737 0.0000000), wk = 0.0032680 k( 151) = ( 0.4545455 0.1944987 0.0000000), wk = 0.0032680 k( 152) = ( 0.4772727 0.2042236 0.0000000), wk = 0.0032680 k( 153) = ( 0.5000000 0.2139485 0.0000000), wk = 0.0032680 k( 154) = ( 0.5000000 0.2139485 0.0000000), wk = 0.0032680 k( 155) = ( 0.4929027 0.2305350 0.0180411), wk = 0.0032680 k( 156) = ( 0.4858054 0.2471214 0.0360822), wk = 0.0032680 k( 157) = ( 0.4787082 0.2637078 0.0541232), wk = 0.0032680 k( 158) = ( 0.4716109 0.2802942 0.0721644), wk = 0.0032680 k( 159) = ( 0.4645136 0.2968807 0.0902054), wk = 0.0032680 k( 160) = ( 0.4574163 0.3134671 0.1082465), wk = 0.0032680 k( 161) = ( 0.4503190 0.3300535 0.1262876), wk = 0.0032680 k( 162) = ( 0.4432218 0.3466399 0.1443287), wk = 0.0032680 k( 163) = ( 0.4361245 0.3632263 0.1623698), wk = 0.0032680 k( 164) = ( 0.4290272 0.3798128 0.1804109), wk = 0.0032680 k( 165) = ( 0.4219299 0.3963992 0.1984520), wk = 0.0032680 k( 166) = ( 0.4148326 0.4129856 0.2164930), wk = 0.0032680 k( 167) = ( 0.4077353 0.4295720 0.2345341), wk = 0.0032680 k( 168) = ( 0.4006381 0.4461584 0.2525752), wk = 0.0032680 k( 169) = ( 0.3935408 0.4627449 0.2706163), wk = 0.0032680 k( 170) = ( 0.3864435 0.4793313 0.2886574), wk = 0.0032680 k( 171) = ( 0.3793462 0.4959177 0.3066985), wk = 0.0032680 k( 172) = ( 0.3722489 0.5125041 0.3247396), wk = 0.0032680 k( 173) = ( 0.3651516 0.5290906 0.3427807), wk = 0.0032680 k( 174) = ( 0.3580544 0.5456770 0.3608217), wk = 0.0032680 k( 175) = ( 0.3509571 0.5622634 0.3788628), wk = 0.0032680 k( 176) = ( 0.3438598 0.5788498 0.3969039), wk = 0.0032680 k( 177) = ( 0.3367625 0.5954363 0.4149450), wk = 0.0032680 k( 178) = ( 0.3296652 0.6120227 0.4329861), wk = 0.0032680 k( 179) = ( 0.3225680 0.6286091 0.4510272), wk = 0.0032680 k( 180) = ( 0.3154707 0.6451955 0.4690683), wk = 0.0032680 k( 181) = ( 0.3083734 0.6617819 0.4871093), wk = 0.0032680 k( 182) = ( 0.3012761 0.6783684 0.5051505), wk = 0.0032680 k( 183) = ( 0.2941788 0.6949548 0.5231915), wk = 0.0032680 k( 184) = ( 0.2870816 0.7115412 0.5412326), wk = 0.0032680 k( 185) = ( 0.2799843 0.7281276 0.5592737), wk = 0.0032680 k( 186) = ( 0.2728870 0.7447141 0.5773148), wk = 0.0032680 k( 187) = ( 0.2728870 0.7447141 0.5773148), wk = 0.0032680 k( 188) = ( 0.2501464 0.7402568 0.5821630), wk = 0.0032680 k( 189) = ( 0.2274058 0.7357995 0.5870111), wk = 0.0032680 k( 190) = ( 0.2046652 0.7313423 0.5918593), wk = 0.0032680 k( 191) = ( 0.1819247 0.7268850 0.5967075), wk = 0.0032680 k( 192) = ( 0.1591841 0.7224278 0.6015556), wk = 0.0032680 k( 193) = ( 0.1364435 0.7179705 0.6064038), wk = 0.0032680 k( 194) = ( 0.1137029 0.7135132 0.6112520), wk = 0.0032680 k( 195) = ( 0.0909623 0.7090560 0.6161002), wk = 0.0032680 k( 196) = ( 0.0682217 0.7045987 0.6209483), wk = 0.0032680 k( 197) = ( 0.0454812 0.7001415 0.6257965), wk = 0.0032680 k( 198) = ( 0.0227406 0.6956842 0.6306447), wk = 0.0032680 k( 199) = ( 0.0000000 0.6912269 0.6354929), wk = 0.0032680 k( 200) = ( 0.0000000 0.6912269 0.6354929), wk = 0.0032680 k( 201) = ( 0.0071429 0.6745340 0.6536498), wk = 0.0032680 k( 202) = ( 0.0142857 0.6578411 0.6718067), wk = 0.0032680 k( 203) = ( 0.0214286 0.6411481 0.6899637), wk = 0.0032680 k( 204) = ( 0.0285714 0.6244552 0.7081206), wk = 0.0032680 k( 205) = ( 0.0357143 0.6077623 0.7262776), wk = 0.0032680 k( 206) = ( 0.0428571 0.5910693 0.7444345), wk = 0.0032680 k( 207) = ( 0.0500000 0.5743764 0.7625914), wk = 0.0032680 k( 208) = ( 0.0571429 0.5576835 0.7807484), wk = 0.0032680 k( 209) = ( 0.0642857 0.5409905 0.7989053), wk = 0.0032680 k( 210) = ( 0.0714286 0.5242976 0.8170622), wk = 0.0032680 k( 211) = ( 0.0785714 0.5076047 0.8352192), wk = 0.0032680 k( 212) = ( 0.0857143 0.4909117 0.8533761), wk = 0.0032680 k( 213) = ( 0.0928571 0.4742188 0.8715331), wk = 0.0032680 k( 214) = ( 0.1000000 0.4575259 0.8896900), wk = 0.0032680 k( 215) = ( 0.1071429 0.4408329 0.9078469), wk = 0.0032680 k( 216) = ( 0.1142857 0.4241400 0.9260039), wk = 0.0032680 k( 217) = ( 0.1214286 0.4074471 0.9441608), wk = 0.0032680 k( 218) = ( 0.1285714 0.3907541 0.9623178), wk = 0.0032680 k( 219) = ( 0.1357143 0.3740612 0.9804747), wk = 0.0032680 k( 220) = ( 0.1428571 0.3573683 0.9986316), wk = 0.0032680 k( 221) = ( 0.1500000 0.3406753 1.0167886), wk = 0.0032680 k( 222) = ( 0.1571429 0.3239824 1.0349455), wk = 0.0032680 k( 223) = ( 0.1642857 0.3072895 1.0531024), wk = 0.0032680 k( 224) = ( 0.1714286 0.2905965 1.0712594), wk = 0.0032680 k( 225) = ( 0.1785714 0.2739036 1.0894163), wk = 0.0032680 k( 226) = ( 0.1857143 0.2572107 1.1075733), wk = 0.0032680 k( 227) = ( 0.1928571 0.2405177 1.1257302), wk = 0.0032680 k( 228) = ( 0.2000000 0.2238248 1.1438871), wk = 0.0032680 k( 229) = ( 0.2071429 0.2071319 1.1620441), wk = 0.0032680 k( 230) = ( 0.2142857 0.1904389 1.1802010), wk = 0.0032680 k( 231) = ( 0.2214286 0.1737460 1.1983580), wk = 0.0032680 k( 232) = ( 0.2285714 0.1570531 1.2165149), wk = 0.0032680 k( 233) = ( 0.2357143 0.1403601 1.2346718), wk = 0.0032680 k( 234) = ( 0.2428571 0.1236672 1.2528288), wk = 0.0032680 k( 235) = ( 0.2500000 0.1069743 1.2709857), wk = 0.0032680 k( 236) = ( 0.2500000 0.1069743 1.2709857), wk = 0.0032680 k( 237) = ( 0.2708333 0.1158888 1.2612894), wk = 0.0032680 k( 238) = ( 0.2916667 0.1248033 1.2515930), wk = 0.0032680 k( 239) = ( 0.3125000 0.1337178 1.2418967), wk = 0.0032680 k( 240) = ( 0.3333333 0.1426324 1.2322003), wk = 0.0032680 k( 241) = ( 0.3541667 0.1515469 1.2225040), wk = 0.0032680 k( 242) = ( 0.3750000 0.1604614 1.2128076), wk = 0.0032680 k( 243) = ( 0.3958333 0.1693759 1.2031113), wk = 0.0032680 k( 244) = ( 0.4166667 0.1782904 1.1934150), wk = 0.0032680 k( 245) = ( 0.4375000 0.1872050 1.1837186), wk = 0.0032680 k( 246) = ( 0.4583333 0.1961195 1.1740223), wk = 0.0032680 k( 247) = ( 0.4791667 0.2050340 1.1643259), wk = 0.0032680 k( 248) = ( 0.5000000 0.2139485 1.1546296), wk = 0.0032680 k( 249) = ( 0.5000000 0.2139485 1.1546296), wk = 0.0032680 k( 250) = ( 0.5000000 0.2139485 1.1289711), wk = 0.0032680 k( 251) = ( 0.5000000 0.2139485 1.1033127), wk = 0.0032680 k( 252) = ( 0.5000000 0.2139485 1.0776543), wk = 0.0032680 k( 253) = ( 0.5000000 0.2139485 1.0519958), wk = 0.0032680 k( 254) = ( 0.5000000 0.2139485 1.0263374), wk = 0.0032680 k( 255) = ( 0.5000000 0.2139485 1.0006790), wk = 0.0032680 k( 256) = ( 0.5000000 0.2139485 0.9750205), wk = 0.0032680 k( 257) = ( 0.5000000 0.2139485 0.9493621), wk = 0.0032680 k( 258) = ( 0.5000000 0.2139485 0.9237037), wk = 0.0032680 k( 259) = ( 0.5000000 0.2139485 0.8980452), wk = 0.0032680 k( 260) = ( 0.5000000 0.2139485 0.8723868), wk = 0.0032680 k( 261) = ( 0.5000000 0.2139485 0.8467283), wk = 0.0032680 k( 262) = ( 0.5000000 0.2139485 0.8210699), wk = 0.0032680 k( 263) = ( 0.5000000 0.2139485 0.7954115), wk = 0.0032680 k( 264) = ( 0.5000000 0.2139485 0.7697531), wk = 0.0032680 k( 265) = ( 0.5000000 0.2139485 0.7440946), wk = 0.0032680 k( 266) = ( 0.5000000 0.2139485 0.7184362), wk = 0.0032680 k( 267) = ( 0.5000000 0.2139485 0.6927777), wk = 0.0032680 k( 268) = ( 0.5000000 0.2139485 0.6671193), wk = 0.0032680 k( 269) = ( 0.5000000 0.2139485 0.6414609), wk = 0.0032680 k( 270) = ( 0.5000000 0.2139485 0.6158024), wk = 0.0032680 k( 271) = ( 0.5000000 0.2139485 0.5901440), wk = 0.0032680 k( 272) = ( 0.5000000 0.2139485 0.5644856), wk = 0.0032680 k( 273) = ( 0.5000000 0.2139485 0.5388271), wk = 0.0032680 k( 274) = ( 0.5000000 0.2139485 0.5131687), wk = 0.0032680 k( 275) = ( 0.5000000 0.2139485 0.4875103), wk = 0.0032680 k( 276) = ( 0.5000000 0.2139485 0.4618518), wk = 0.0032680 k( 277) = ( 0.5000000 0.2139485 0.4361934), wk = 0.0032680 k( 278) = ( 0.5000000 0.2139485 0.4105350), wk = 0.0032680 k( 279) = ( 0.5000000 0.2139485 0.3848765), wk = 0.0032680 k( 280) = ( 0.5000000 0.2139485 0.3592181), wk = 0.0032680 k( 281) = ( 0.5000000 0.2139485 0.3335597), wk = 0.0032680 k( 282) = ( 0.5000000 0.2139485 0.3079012), wk = 0.0032680 k( 283) = ( 0.5000000 0.2139485 0.2822428), wk = 0.0032680 k( 284) = ( 0.5000000 0.2139485 0.2565844), wk = 0.0032680 k( 285) = ( 0.5000000 0.2139485 0.2309259), wk = 0.0032680 k( 286) = ( 0.5000000 0.2139485 0.2052675), wk = 0.0032680 k( 287) = ( 0.5000000 0.2139485 0.1796090), wk = 0.0032680 k( 288) = ( 0.5000000 0.2139485 0.1539506), wk = 0.0032680 k( 289) = ( 0.5000000 0.2139485 0.1282922), wk = 0.0032680 k( 290) = ( 0.5000000 0.2139485 0.1026337), wk = 0.0032680 k( 291) = ( 0.5000000 0.2139485 0.0769753), wk = 0.0032680 k( 292) = ( 0.5000000 0.2139485 0.0513169), wk = 0.0032680 k( 293) = ( 0.5000000 0.2139485 0.0256584), wk = 0.0032680 k( 294) = ( 0.5000000 0.2139485 0.0000000), wk = 0.0032680 k( 295) = ( 0.0000000 0.0000000 1.2709857), wk = 0.0032680 k( 296) = ( 0.0227273 0.0097249 1.2709857), wk = 0.0032680 k( 297) = ( 0.0454546 0.0194499 1.2709857), wk = 0.0032680 k( 298) = ( 0.0681818 0.0291748 1.2709857), wk = 0.0032680 k( 299) = ( 0.0909091 0.0388997 1.2709857), wk = 0.0032680 k( 300) = ( 0.1136364 0.0486247 1.2709857), wk = 0.0032680 k( 301) = ( 0.1363636 0.0583496 1.2709857), wk = 0.0032680 k( 302) = ( 0.1590909 0.0680745 1.2709857), wk = 0.0032680 k( 303) = ( 0.1818182 0.0777995 1.2709857), wk = 0.0032680 k( 304) = ( 0.2045454 0.0875244 1.2709857), wk = 0.0032680 k( 305) = ( 0.2272727 0.0972493 1.2709857), wk = 0.0032680 k( 306) = ( 0.2500000 0.1069743 1.2709857), wk = 0.0032680 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0000000 0.0000000 0.0100000), wk = 0.0032680 k( 3) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0032680 k( 4) = ( 0.0000000 0.0000000 0.0300000), wk = 0.0032680 k( 5) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0032680 k( 6) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0032680 k( 7) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0032680 k( 8) = ( 0.0000000 0.0000000 0.0700000), wk = 0.0032680 k( 9) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0032680 k( 10) = ( 0.0000000 0.0000000 0.0900000), wk = 0.0032680 k( 11) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0032680 k( 12) = ( 0.0000000 0.0000000 0.1100000), wk = 0.0032680 k( 13) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0032680 k( 14) = ( 0.0000000 0.0000000 0.1300000), wk = 0.0032680 k( 15) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0032680 k( 16) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0032680 k( 17) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0032680 k( 18) = ( 0.0000000 0.0000000 0.1700000), wk = 0.0032680 k( 19) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0032680 k( 20) = ( 0.0000000 0.0000000 0.1900000), wk = 0.0032680 k( 21) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0032680 k( 22) = ( 0.0000000 0.0000000 0.2100000), wk = 0.0032680 k( 23) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0032680 k( 24) = ( 0.0000000 0.0000000 0.2300000), wk = 0.0032680 k( 25) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0032680 k( 26) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0032680 k( 27) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0032680 k( 28) = ( 0.0000000 0.0000000 0.2700000), wk = 0.0032680 k( 29) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0032680 k( 30) = ( 0.0000000 0.0000000 0.2900000), wk = 0.0032680 k( 31) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0032680 k( 32) = ( 0.0000000 0.0000000 0.3100000), wk = 0.0032680 k( 33) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0032680 k( 34) = ( 0.0000000 0.0000000 0.3300000), wk = 0.0032680 k( 35) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0032680 k( 36) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0032680 k( 37) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0032680 k( 38) = ( 0.0000000 0.0000000 0.3700000), wk = 0.0032680 k( 39) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0032680 k( 40) = ( 0.0000000 0.0000000 0.3900000), wk = 0.0032680 k( 41) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0032680 k( 42) = ( 0.0000000 0.0000000 0.4100000), wk = 0.0032680 k( 43) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0032680 k( 44) = ( 0.0000000 0.0000000 0.4300000), wk = 0.0032680 k( 45) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0032680 k( 46) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0032680 k( 47) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0032680 k( 48) = ( 0.0000000 0.0000000 0.4700000), wk = 0.0032680 k( 49) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0032680 k( 50) = ( 0.0000000 0.0000000 0.4900000), wk = 0.0032680 k( 51) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 53) = ( -0.0091548 0.0091548 0.5000000), wk = 0.0032680 k( 54) = ( -0.0183096 0.0183096 0.5000000), wk = 0.0032680 k( 55) = ( -0.0274644 0.0274644 0.5000000), wk = 0.0032680 k( 56) = ( -0.0366192 0.0366192 0.5000000), wk = 0.0032680 k( 57) = ( -0.0457740 0.0457740 0.5000000), wk = 0.0032680 k( 58) = ( -0.0457740 0.0457740 0.5000000), wk = 0.0032680 k( 59) = ( -0.0528713 0.0528713 0.4929027), wk = 0.0032680 k( 60) = ( -0.0599685 0.0599685 0.4858054), wk = 0.0032680 k( 61) = ( -0.0670658 0.0670658 0.4787082), wk = 0.0032680 k( 62) = ( -0.0741631 0.0741631 0.4716109), wk = 0.0032680 k( 63) = ( -0.0812604 0.0812604 0.4645136), wk = 0.0032680 k( 64) = ( -0.0883577 0.0883577 0.4574163), wk = 0.0032680 k( 65) = ( -0.0954549 0.0954549 0.4503190), wk = 0.0032680 k( 66) = ( -0.1025522 0.1025522 0.4432218), wk = 0.0032680 k( 67) = ( -0.1096495 0.1096495 0.4361245), wk = 0.0032680 k( 68) = ( -0.1167468 0.1167468 0.4290272), wk = 0.0032680 k( 69) = ( -0.1238441 0.1238441 0.4219299), wk = 0.0032680 k( 70) = ( -0.1309414 0.1309414 0.4148326), wk = 0.0032680 k( 71) = ( -0.1380386 0.1380386 0.4077353), wk = 0.0032680 k( 72) = ( -0.1451359 0.1451359 0.4006381), wk = 0.0032680 k( 73) = ( -0.1522332 0.1522332 0.3935408), wk = 0.0032680 k( 74) = ( -0.1593305 0.1593305 0.3864435), wk = 0.0032680 k( 75) = ( -0.1664278 0.1664278 0.3793462), wk = 0.0032680 k( 76) = ( -0.1735250 0.1735250 0.3722489), wk = 0.0032680 k( 77) = ( -0.1806223 0.1806223 0.3651517), wk = 0.0032680 k( 78) = ( -0.1877196 0.1877196 0.3580544), wk = 0.0032680 k( 79) = ( -0.1948169 0.1948169 0.3509571), wk = 0.0032680 k( 80) = ( -0.2019142 0.2019142 0.3438598), wk = 0.0032680 k( 81) = ( -0.2090114 0.2090114 0.3367625), wk = 0.0032680 k( 82) = ( -0.2161087 0.2161087 0.3296652), wk = 0.0032680 k( 83) = ( -0.2232060 0.2232060 0.3225680), wk = 0.0032680 k( 84) = ( -0.2303033 0.2303033 0.3154707), wk = 0.0032680 k( 85) = ( -0.2374006 0.2374006 0.3083734), wk = 0.0032680 k( 86) = ( -0.2444979 0.2444979 0.3012761), wk = 0.0032680 k( 87) = ( -0.2515951 0.2515951 0.2941788), wk = 0.0032680 k( 88) = ( -0.2586924 0.2586924 0.2870816), wk = 0.0032680 k( 89) = ( -0.2657897 0.2657897 0.2799843), wk = 0.0032680 k( 90) = ( -0.2728870 0.2728870 0.2728870), wk = 0.0032680 k( 91) = ( -0.2728870 0.2728870 0.2728870), wk = 0.0032680 k( 92) = ( -0.2658899 0.2658899 0.2658899), wk = 0.0032680 k( 93) = ( -0.2588928 0.2588928 0.2588928), wk = 0.0032680 k( 94) = ( -0.2518957 0.2518957 0.2518957), wk = 0.0032680 k( 95) = ( -0.2448986 0.2448986 0.2448986), wk = 0.0032680 k( 96) = ( -0.2379015 0.2379015 0.2379015), wk = 0.0032680 k( 97) = ( -0.2309044 0.2309044 0.2309044), wk = 0.0032680 k( 98) = ( -0.2239073 0.2239073 0.2239073), wk = 0.0032680 k( 99) = ( -0.2169102 0.2169102 0.2169102), wk = 0.0032680 k( 100) = ( -0.2099131 0.2099131 0.2099131), wk = 0.0032680 k( 101) = ( -0.2029160 0.2029160 0.2029160), wk = 0.0032680 k( 102) = ( -0.1959189 0.1959189 0.1959189), wk = 0.0032680 k( 103) = ( -0.1889218 0.1889218 0.1889218), wk = 0.0032680 k( 104) = ( -0.1819247 0.1819247 0.1819247), wk = 0.0032680 k( 105) = ( -0.1749276 0.1749276 0.1749276), wk = 0.0032680 k( 106) = ( -0.1679305 0.1679304 0.1679305), wk = 0.0032680 k( 107) = ( -0.1609334 0.1609334 0.1609334), wk = 0.0032680 k( 108) = ( -0.1539362 0.1539363 0.1539363), wk = 0.0032680 k( 109) = ( -0.1469391 0.1469391 0.1469392), wk = 0.0032680 k( 110) = ( -0.1399420 0.1399420 0.1399420), wk = 0.0032680 k( 111) = ( -0.1329449 0.1329449 0.1329449), wk = 0.0032680 k( 112) = ( -0.1259478 0.1259478 0.1259478), wk = 0.0032680 k( 113) = ( -0.1189507 0.1189507 0.1189507), wk = 0.0032680 k( 114) = ( -0.1119536 0.1119536 0.1119536), wk = 0.0032680 k( 115) = ( -0.1049565 0.1049565 0.1049565), wk = 0.0032680 k( 116) = ( -0.0979594 0.0979594 0.0979594), wk = 0.0032680 k( 117) = ( -0.0909623 0.0909623 0.0909623), wk = 0.0032680 k( 118) = ( -0.0839652 0.0839652 0.0839652), wk = 0.0032680 k( 119) = ( -0.0769681 0.0769681 0.0769681), wk = 0.0032680 k( 120) = ( -0.0699710 0.0699710 0.0699710), wk = 0.0032680 k( 121) = ( -0.0629739 0.0629739 0.0629739), wk = 0.0032680 k( 122) = ( -0.0559768 0.0559768 0.0559768), wk = 0.0032680 k( 123) = ( -0.0489797 0.0489797 0.0489797), wk = 0.0032680 k( 124) = ( -0.0419826 0.0419826 0.0419826), wk = 0.0032680 k( 125) = ( -0.0349855 0.0349855 0.0349855), wk = 0.0032680 k( 126) = ( -0.0279884 0.0279884 0.0279884), wk = 0.0032680 k( 127) = ( -0.0209913 0.0209913 0.0209913), wk = 0.0032680 k( 128) = ( -0.0139942 0.0139942 0.0139942), wk = 0.0032680 k( 129) = ( -0.0069971 0.0069971 0.0069971), wk = 0.0032680 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 132) = ( 0.0227273 0.0227273 -0.0227273), wk = 0.0032680 k( 133) = ( 0.0454546 0.0454545 -0.0454546), wk = 0.0032680 k( 134) = ( 0.0681818 0.0681818 -0.0681818), wk = 0.0032680 k( 135) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0032680 k( 136) = ( 0.1136364 0.1136364 -0.1136364), wk = 0.0032680 k( 137) = ( 0.1363636 0.1363636 -0.1363636), wk = 0.0032680 k( 138) = ( 0.1590909 0.1590909 -0.1590909), wk = 0.0032680 k( 139) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0032680 k( 140) = ( 0.2045454 0.2045454 -0.2045454), wk = 0.0032680 k( 141) = ( 0.2272727 0.2272727 -0.2272727), wk = 0.0032680 k( 142) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0032680 k( 143) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0032680 k( 144) = ( 0.2954545 0.2954545 -0.2954545), wk = 0.0032680 k( 145) = ( 0.3181818 0.3181818 -0.3181818), wk = 0.0032680 k( 146) = ( 0.3409091 0.3409091 -0.3409091), wk = 0.0032680 k( 147) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0032680 k( 148) = ( 0.3863636 0.3863636 -0.3863636), wk = 0.0032680 k( 149) = ( 0.4090909 0.4090909 -0.4090909), wk = 0.0032680 k( 150) = ( 0.4318182 0.4318182 -0.4318182), wk = 0.0032680 k( 151) = ( 0.4545455 0.4545454 -0.4545455), wk = 0.0032680 k( 152) = ( 0.4772727 0.4772727 -0.4772727), wk = 0.0032680 k( 153) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032680 k( 154) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032680 k( 155) = ( 0.4929027 0.5070973 -0.4929027), wk = 0.0032680 k( 156) = ( 0.4858054 0.5141946 -0.4858054), wk = 0.0032680 k( 157) = ( 0.4787082 0.5212918 -0.4787082), wk = 0.0032680 k( 158) = ( 0.4716109 0.5283891 -0.4716109), wk = 0.0032680 k( 159) = ( 0.4645136 0.5354864 -0.4645136), wk = 0.0032680 k( 160) = ( 0.4574163 0.5425837 -0.4574163), wk = 0.0032680 k( 161) = ( 0.4503190 0.5496810 -0.4503190), wk = 0.0032680 k( 162) = ( 0.4432218 0.5567783 -0.4432217), wk = 0.0032680 k( 163) = ( 0.4361245 0.5638755 -0.4361245), wk = 0.0032680 k( 164) = ( 0.4290272 0.5709728 -0.4290272), wk = 0.0032680 k( 165) = ( 0.4219299 0.5780701 -0.4219299), wk = 0.0032680 k( 166) = ( 0.4148326 0.5851674 -0.4148326), wk = 0.0032680 k( 167) = ( 0.4077353 0.5922647 -0.4077353), wk = 0.0032680 k( 168) = ( 0.4006381 0.5993619 -0.4006381), wk = 0.0032680 k( 169) = ( 0.3935408 0.6064592 -0.3935408), wk = 0.0032680 k( 170) = ( 0.3864435 0.6135565 -0.3864435), wk = 0.0032680 k( 171) = ( 0.3793462 0.6206538 -0.3793462), wk = 0.0032680 k( 172) = ( 0.3722489 0.6277511 -0.3722489), wk = 0.0032680 k( 173) = ( 0.3651516 0.6348483 -0.3651516), wk = 0.0032680 k( 174) = ( 0.3580544 0.6419456 -0.3580544), wk = 0.0032680 k( 175) = ( 0.3509571 0.6490429 -0.3509571), wk = 0.0032680 k( 176) = ( 0.3438598 0.6561402 -0.3438598), wk = 0.0032680 k( 177) = ( 0.3367625 0.6632375 -0.3367625), wk = 0.0032680 k( 178) = ( 0.3296652 0.6703348 -0.3296652), wk = 0.0032680 k( 179) = ( 0.3225680 0.6774320 -0.3225680), wk = 0.0032680 k( 180) = ( 0.3154707 0.6845293 -0.3154707), wk = 0.0032680 k( 181) = ( 0.3083734 0.6916266 -0.3083734), wk = 0.0032680 k( 182) = ( 0.3012761 0.6987239 -0.3012761), wk = 0.0032680 k( 183) = ( 0.2941788 0.7058212 -0.2941788), wk = 0.0032680 k( 184) = ( 0.2870816 0.7129185 -0.2870816), wk = 0.0032680 k( 185) = ( 0.2799843 0.7200157 -0.2799843), wk = 0.0032680 k( 186) = ( 0.2728870 0.7271130 -0.2728870), wk = 0.0032680 k( 187) = ( 0.2728870 0.7271130 -0.2728870), wk = 0.0032680 k( 188) = ( 0.2501464 0.7081869 -0.2501464), wk = 0.0032680 k( 189) = ( 0.2274058 0.6892608 -0.2274058), wk = 0.0032680 k( 190) = ( 0.2046652 0.6703348 -0.2046652), wk = 0.0032680 k( 191) = ( 0.1819247 0.6514087 -0.1819247), wk = 0.0032680 k( 192) = ( 0.1591841 0.6324826 -0.1591841), wk = 0.0032680 k( 193) = ( 0.1364435 0.6135565 -0.1364435), wk = 0.0032680 k( 194) = ( 0.1137029 0.5946304 -0.1137029), wk = 0.0032680 k( 195) = ( 0.0909623 0.5757043 -0.0909623), wk = 0.0032680 k( 196) = ( 0.0682217 0.5567783 -0.0682217), wk = 0.0032680 k( 197) = ( 0.0454812 0.5378522 -0.0454812), wk = 0.0032680 k( 198) = ( 0.0227406 0.5189261 -0.0227406), wk = 0.0032680 k( 199) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032680 k( 200) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032680 k( 201) = ( 0.0071429 0.4928571 0.0071429), wk = 0.0032680 k( 202) = ( 0.0142857 0.4857143 0.0142857), wk = 0.0032680 k( 203) = ( 0.0214286 0.4785714 0.0214286), wk = 0.0032680 k( 204) = ( 0.0285714 0.4714286 0.0285714), wk = 0.0032680 k( 205) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0032680 k( 206) = ( 0.0428571 0.4571429 0.0428571), wk = 0.0032680 k( 207) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0032680 k( 208) = ( 0.0571429 0.4428571 0.0571429), wk = 0.0032680 k( 209) = ( 0.0642857 0.4357143 0.0642857), wk = 0.0032680 k( 210) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0032680 k( 211) = ( 0.0785714 0.4214286 0.0785714), wk = 0.0032680 k( 212) = ( 0.0857143 0.4142857 0.0857143), wk = 0.0032680 k( 213) = ( 0.0928571 0.4071429 0.0928571), wk = 0.0032680 k( 214) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0032680 k( 215) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0032680 k( 216) = ( 0.1142857 0.3857143 0.1142857), wk = 0.0032680 k( 217) = ( 0.1214286 0.3785714 0.1214286), wk = 0.0032680 k( 218) = ( 0.1285714 0.3714286 0.1285714), wk = 0.0032680 k( 219) = ( 0.1357143 0.3642857 0.1357143), wk = 0.0032680 k( 220) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0032680 k( 221) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0032680 k( 222) = ( 0.1571429 0.3428571 0.1571429), wk = 0.0032680 k( 223) = ( 0.1642857 0.3357143 0.1642857), wk = 0.0032680 k( 224) = ( 0.1714286 0.3285714 0.1714286), wk = 0.0032680 k( 225) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0032680 k( 226) = ( 0.1857143 0.3142857 0.1857143), wk = 0.0032680 k( 227) = ( 0.1928571 0.3071429 0.1928571), wk = 0.0032680 k( 228) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0032680 k( 229) = ( 0.2071429 0.2928571 0.2071429), wk = 0.0032680 k( 230) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0032680 k( 231) = ( 0.2214286 0.2785714 0.2214286), wk = 0.0032680 k( 232) = ( 0.2285714 0.2714286 0.2285714), wk = 0.0032680 k( 233) = ( 0.2357143 0.2642857 0.2357143), wk = 0.0032680 k( 234) = ( 0.2428571 0.2571429 0.2428571), wk = 0.0032680 k( 235) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032680 k( 236) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032680 k( 237) = ( 0.2708333 0.2708333 0.2253522), wk = 0.0032680 k( 238) = ( 0.2916667 0.2916667 0.2007043), wk = 0.0032680 k( 239) = ( 0.3125000 0.3125000 0.1760565), wk = 0.0032680 k( 240) = ( 0.3333333 0.3333333 0.1514087), wk = 0.0032680 k( 241) = ( 0.3541667 0.3541667 0.1267608), wk = 0.0032680 k( 242) = ( 0.3750000 0.3750000 0.1021130), wk = 0.0032680 k( 243) = ( 0.3958333 0.3958333 0.0774652), wk = 0.0032680 k( 244) = ( 0.4166667 0.4166667 0.0528173), wk = 0.0032680 k( 245) = ( 0.4375000 0.4375000 0.0281695), wk = 0.0032680 k( 246) = ( 0.4583333 0.4583333 0.0035217), wk = 0.0032680 k( 247) = ( 0.4791667 0.4791667 -0.0211261), wk = 0.0032680 k( 248) = ( 0.5000000 0.5000000 -0.0457740), wk = 0.0032680 k( 249) = ( 0.5000000 0.5000000 -0.0457740), wk = 0.0032680 k( 250) = ( 0.5000000 0.5000000 -0.0558679), wk = 0.0032680 k( 251) = ( 0.5000000 0.5000000 -0.0659618), wk = 0.0032680 k( 252) = ( 0.5000000 0.5000000 -0.0760557), wk = 0.0032680 k( 253) = ( 0.5000000 0.5000000 -0.0861496), wk = 0.0032680 k( 254) = ( 0.5000000 0.5000000 -0.0962435), wk = 0.0032680 k( 255) = ( 0.5000000 0.5000000 -0.1063375), wk = 0.0032680 k( 256) = ( 0.5000000 0.5000000 -0.1164314), wk = 0.0032680 k( 257) = ( 0.5000000 0.5000000 -0.1265253), wk = 0.0032680 k( 258) = ( 0.5000000 0.5000000 -0.1366192), wk = 0.0032680 k( 259) = ( 0.5000000 0.5000000 -0.1467131), wk = 0.0032680 k( 260) = ( 0.5000000 0.5000000 -0.1568070), wk = 0.0032680 k( 261) = ( 0.5000000 0.5000000 -0.1669009), wk = 0.0032680 k( 262) = ( 0.5000000 0.5000000 -0.1769948), wk = 0.0032680 k( 263) = ( 0.5000000 0.5000000 -0.1870887), wk = 0.0032680 k( 264) = ( 0.5000000 0.5000000 -0.1971826), wk = 0.0032680 k( 265) = ( 0.5000000 0.5000000 -0.2072766), wk = 0.0032680 k( 266) = ( 0.5000000 0.5000000 -0.2173705), wk = 0.0032680 k( 267) = ( 0.5000000 0.5000000 -0.2274644), wk = 0.0032680 k( 268) = ( 0.5000000 0.5000000 -0.2375583), wk = 0.0032680 k( 269) = ( 0.5000000 0.5000000 -0.2476522), wk = 0.0032680 k( 270) = ( 0.5000000 0.5000000 -0.2577461), wk = 0.0032680 k( 271) = ( 0.5000000 0.5000000 -0.2678400), wk = 0.0032680 k( 272) = ( 0.5000000 0.5000000 -0.2779339), wk = 0.0032680 k( 273) = ( 0.5000000 0.5000000 -0.2880279), wk = 0.0032680 k( 274) = ( 0.5000000 0.5000000 -0.2981218), wk = 0.0032680 k( 275) = ( 0.5000000 0.5000000 -0.3082157), wk = 0.0032680 k( 276) = ( 0.5000000 0.5000000 -0.3183096), wk = 0.0032680 k( 277) = ( 0.5000000 0.5000000 -0.3284035), wk = 0.0032680 k( 278) = ( 0.5000000 0.5000000 -0.3384974), wk = 0.0032680 k( 279) = ( 0.5000000 0.5000000 -0.3485913), wk = 0.0032680 k( 280) = ( 0.5000000 0.5000000 -0.3586852), wk = 0.0032680 k( 281) = ( 0.5000000 0.5000000 -0.3687792), wk = 0.0032680 k( 282) = ( 0.5000000 0.5000000 -0.3788731), wk = 0.0032680 k( 283) = ( 0.5000000 0.5000000 -0.3889670), wk = 0.0032680 k( 284) = ( 0.5000000 0.5000000 -0.3990609), wk = 0.0032680 k( 285) = ( 0.5000000 0.5000000 -0.4091548), wk = 0.0032680 k( 286) = ( 0.5000000 0.5000000 -0.4192487), wk = 0.0032680 k( 287) = ( 0.5000000 0.5000000 -0.4293426), wk = 0.0032680 k( 288) = ( 0.5000000 0.5000000 -0.4394365), wk = 0.0032680 k( 289) = ( 0.5000000 0.5000000 -0.4495304), wk = 0.0032680 k( 290) = ( 0.5000000 0.5000000 -0.4596244), wk = 0.0032680 k( 291) = ( 0.5000000 0.5000000 -0.4697183), wk = 0.0032680 k( 292) = ( 0.5000000 0.5000000 -0.4798122), wk = 0.0032680 k( 293) = ( 0.5000000 0.5000000 -0.4899061), wk = 0.0032680 k( 294) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032680 k( 295) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 296) = ( 0.0227273 0.0227273 0.4772727), wk = 0.0032680 k( 297) = ( 0.0454546 0.0454545 0.4545455), wk = 0.0032680 k( 298) = ( 0.0681818 0.0681818 0.4318182), wk = 0.0032680 k( 299) = ( 0.0909091 0.0909091 0.4090909), wk = 0.0032680 k( 300) = ( 0.1136364 0.1136364 0.3863636), wk = 0.0032680 k( 301) = ( 0.1363636 0.1363636 0.3636364), wk = 0.0032680 k( 302) = ( 0.1590909 0.1590909 0.3409091), wk = 0.0032680 k( 303) = ( 0.1818182 0.1818182 0.3181818), wk = 0.0032680 k( 304) = ( 0.2045454 0.2045454 0.2954546), wk = 0.0032680 k( 305) = ( 0.2272727 0.2272727 0.2727273), wk = 0.0032680 k( 306) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032680 Dense grid: 393319 G-vectors FFT dimensions: ( 144, 144, 144) Smooth grid: 59483 G-vectors FFT dimensions: ( 75, 75, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 316, 44) NL pseudopotentials 0.24 Mb ( 158, 100) Each V/rho on FFT grid 0.95 Mb ( 62208) Each G-vector array 0.06 Mb ( 8195) G-vector shells 0.03 Mb ( 3766) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.85 Mb ( 316, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.13 Mb ( 100, 2, 44) The potential is recalculated from file : ./KMnTe2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.2 secs Computing kpt #: 2 total cpu time spent up to now is 44.5 secs Computing kpt #: 3 total cpu time spent up to now is 47.7 secs Computing kpt #: 4 total cpu time spent up to now is 50.9 secs Computing kpt #: 5 total cpu time spent up to now is 54.2 secs Computing kpt #: 6 total cpu time spent up to now is 57.4 secs Computing kpt #: 7 total cpu time spent up to now is 61.0 secs Computing kpt #: 8 total cpu time spent up to now is 64.7 secs Computing kpt #: 9 total cpu time spent up to now is 68.0 secs Computing kpt #: 10 total cpu time spent up to now is 71.2 secs Computing kpt #: 11 total cpu time spent up to now is 74.4 secs Computing kpt #: 12 total cpu time spent up to now is 78.2 secs Computing kpt #: 13 total cpu time spent up to now is 81.9 secs Computing kpt #: 14 total cpu time spent up to now is 85.6 secs Computing kpt #: 15 total cpu time spent up to now is 89.4 secs Computing kpt #: 16 total cpu time spent up to now is 93.0 secs Computing kpt #: 17 total cpu time spent up to now is 96.8 secs Computing kpt #: 18 total cpu time spent up to now is 100.5 secs Computing kpt #: 19 total cpu time spent up to now is 104.4 secs Computing kpt #: 20 total cpu time spent up to now is 108.2 secs Computing kpt #: 21 total cpu time spent up to now is 111.9 secs Computing kpt #: 22 total cpu time spent up to now is 115.9 secs Computing kpt #: 23 total cpu time spent up to now is 119.9 secs Computing kpt #: 24 total cpu time spent up to now is 123.8 secs Computing kpt #: 25 total cpu time spent up to now is 127.8 secs Computing kpt #: 26 total cpu time spent up to now is 131.9 secs Computing kpt #: 27 total cpu time spent up to now is 136.4 secs Computing kpt #: 28 total cpu time spent up to now is 141.1 secs Computing kpt #: 29 total cpu time spent up to now is 145.6 secs Computing kpt #: 30 total cpu time spent up to now is 150.2 secs Computing kpt #: 31 total cpu time spent up to now is 154.7 secs Computing kpt #: 32 total cpu time spent up to now is 159.3 secs Computing kpt #: 33 total cpu time spent up to now is 163.9 secs Computing kpt #: 34 total cpu time spent up to now is 169.7 secs Computing kpt #: 35 total cpu time spent up to now is 174.2 secs Computing kpt #: 36 total cpu time spent up to now is 178.8 secs Computing kpt #: 37 total cpu time spent up to now is 183.0 secs Computing kpt #: 38 total cpu time spent up to now is 187.6 secs Computing kpt #: 39 total cpu time spent up to now is 192.2 secs Computing kpt #: 40 total cpu time spent up to now is 196.3 secs Computing kpt #: 41 total cpu time spent up to now is 200.5 secs Computing kpt #: 42 total cpu time spent up to now is 204.6 secs Computing kpt #: 43 total cpu time spent up to now is 208.7 secs Computing kpt #: 44 total cpu time spent up to now is 213.2 secs Computing kpt #: 45 total cpu time spent up to now is 217.8 secs Computing kpt #: 46 total cpu time spent up to now is 222.3 secs Computing kpt #: 47 total cpu time spent up to now is 226.8 secs Computing kpt #: 48 total cpu time spent up to now is 231.3 secs Computing kpt #: 49 total cpu time spent up to now is 235.4 secs Computing kpt #: 50 total cpu time spent up to now is 239.5 secs Computing kpt #: 51 total cpu time spent up to now is 243.6 secs Computing kpt #: 52 total cpu time spent up to now is 248.1 secs Computing kpt #: 53 total cpu time spent up to now is 252.6 secs Computing kpt #: 54 total cpu time spent up to now is 257.3 secs Computing kpt #: 55 total cpu time spent up to now is 261.9 secs Computing kpt #: 56 total cpu time spent up to now is 266.5 secs Computing kpt #: 57 total cpu time spent up to now is 271.3 secs Computing kpt #: 58 total cpu time spent up to now is 275.9 secs Computing kpt #: 59 total cpu time spent up to now is 280.6 secs Computing kpt #: 60 total cpu time spent up to now is 285.3 secs Computing kpt #: 61 total cpu time spent up to now is 289.9 secs Computing kpt #: 62 total cpu time spent up to now is 294.5 secs Computing kpt #: 63 total cpu time spent up to now is 299.2 secs Computing kpt #: 64 total cpu time spent up to now is 303.8 secs Computing kpt #: 65 total cpu time spent up to now is 308.5 secs Computing kpt #: 66 total cpu time spent up to now is 313.2 secs Computing kpt #: 67 total cpu time spent up to now is 317.9 secs Computing kpt #: 68 total cpu time spent up to now is 322.6 secs Computing kpt #: 69 total cpu time spent up to now is 327.1 secs Computing kpt #: 70 total cpu time spent up to now is 331.1 secs Computing kpt #: 71 total cpu time spent up to now is 335.1 secs Computing kpt #: 72 total cpu time spent up to now is 339.3 secs Computing kpt #: 73 total cpu time spent up to now is 343.4 secs Computing kpt #: 74 total cpu time spent up to now is 347.5 secs Computing kpt #: 75 total cpu time spent up to now is 351.6 secs Computing kpt #: 76 total cpu time spent up to now is 355.6 secs Computing kpt #: 77 total cpu time spent up to now is 359.8 secs Computing kpt #: 78 total cpu time spent up to now is 363.6 secs Computing kpt #: 79 total cpu time spent up to now is 367.5 secs Computing kpt #: 80 total cpu time spent up to now is 371.3 secs Computing kpt #: 81 total cpu time spent up to now is 375.2 secs Computing kpt #: 82 total cpu time spent up to now is 379.1 secs Computing kpt #: 83 total cpu time spent up to now is 382.9 secs Computing kpt #: 84 total cpu time spent up to now is 386.8 secs Computing kpt #: 85 total cpu time spent up to now is 390.7 secs Computing kpt #: 86 total cpu time spent up to now is 394.5 secs Computing kpt #: 87 total cpu time spent up to now is 398.4 secs Computing kpt #: 88 total cpu time spent up to now is 402.3 secs Computing kpt #: 89 total cpu time spent up to now is 406.2 secs Computing kpt #: 90 total cpu time spent up to now is 410.1 secs Computing kpt #: 91 total cpu time spent up to now is 414.1 secs Computing kpt #: 92 total cpu time spent up to now is 418.0 secs Computing kpt #: 93 total cpu time spent up to now is 421.9 secs Computing kpt #: 94 total cpu time spent up to now is 426.0 secs Computing kpt #: 95 total cpu time spent up to now is 429.9 secs Computing kpt #: 96 total cpu time spent up to now is 433.9 secs Computing kpt #: 97 total cpu time spent up to now is 437.8 secs Computing kpt #: 98 total cpu time spent up to now is 441.8 secs Computing kpt #: 99 total cpu time spent up to now is 445.7 secs Computing kpt #: 100 total cpu time spent up to now is 449.8 secs Computing kpt #: 101 total cpu time spent up to now is 453.7 secs Computing kpt #: 102 total cpu time spent up to now is 457.6 secs Computing kpt #: 103 total cpu time spent up to now is 461.5 secs Computing kpt #: 104 total cpu time spent up to now is 466.7 secs Computing kpt #: 105 total cpu time spent up to now is 472.4 secs Computing kpt #: 106 total cpu time spent up to now is 476.3 secs Computing kpt #: 107 total cpu time spent up to now is 480.1 secs Computing kpt #: 108 total cpu time spent up to now is 483.9 secs Computing kpt #: 109 total cpu time spent up to now is 487.8 secs Computing kpt #: 110 total cpu time spent up to now is 491.6 secs Computing kpt #: 111 total cpu time spent up to now is 495.4 secs Computing kpt #: 112 total cpu time spent up to now is 499.2 secs Computing kpt #: 113 total cpu time spent up to now is 503.0 secs Computing kpt #: 114 total cpu time spent up to now is 506.9 secs Computing kpt #: 115 total cpu time spent up to now is 510.7 secs Computing kpt #: 116 total cpu time spent up to now is 514.5 secs Computing kpt #: 117 total cpu time spent up to now is 518.4 secs Computing kpt #: 118 total cpu time spent up to now is 522.2 secs Computing kpt #: 119 total cpu time spent up to now is 525.9 secs Computing kpt #: 120 total cpu time spent up to now is 529.7 secs Computing kpt #: 121 total cpu time spent up to now is 533.5 secs Computing kpt #: 122 total cpu time spent up to now is 537.4 secs Computing kpt #: 123 total cpu time spent up to now is 540.6 secs Computing kpt #: 124 total cpu time spent up to now is 544.2 secs Computing kpt #: 125 total cpu time spent up to now is 547.9 secs Computing kpt #: 126 total cpu time spent up to now is 551.1 secs Computing kpt #: 127 total cpu time spent up to now is 554.2 secs Computing kpt #: 128 total cpu time spent up to now is 557.6 secs Computing kpt #: 129 total cpu time spent up to now is 560.8 secs Computing kpt #: 130 total cpu time spent up to now is 563.9 secs Computing kpt #: 131 total cpu time spent up to now is 567.0 secs Computing kpt #: 132 total cpu time spent up to now is 570.2 secs Computing kpt #: 133 total cpu time spent up to now is 573.4 secs Computing kpt #: 134 total cpu time spent up to now is 576.6 secs Computing kpt #: 135 total cpu time spent up to now is 579.8 secs Computing kpt #: 136 total cpu time spent up to now is 583.1 secs Computing kpt #: 137 total cpu time spent up to now is 586.8 secs Computing kpt #: 138 total cpu time spent up to now is 590.5 secs Computing kpt #: 139 total cpu time spent up to now is 594.4 secs Computing kpt #: 140 total cpu time spent up to now is 598.4 secs Computing kpt #: 141 total cpu time spent up to now is 602.4 secs Computing kpt #: 142 total cpu time spent up to now is 606.4 secs Computing kpt #: 143 total cpu time spent up to now is 610.5 secs Computing kpt #: 144 total cpu time spent up to now is 614.7 secs Computing kpt #: 145 total cpu time spent up to now is 619.3 secs Computing kpt #: 146 total cpu time spent up to now is 624.0 secs Computing kpt #: 147 total cpu time spent up to now is 628.6 secs Computing kpt #: 148 total cpu time spent up to now is 633.3 secs Computing kpt #: 149 total cpu time spent up to now is 638.0 secs Computing kpt #: 150 total cpu time spent up to now is 642.7 secs Computing kpt #: 151 total cpu time spent up to now is 647.4 secs Computing kpt #: 152 total cpu time spent up to now is 651.9 secs Computing kpt #: 153 total cpu time spent up to now is 656.4 secs Computing kpt #: 154 total cpu time spent up to now is 661.2 secs Computing kpt #: 155 total cpu time spent up to now is 665.8 secs Computing kpt #: 156 total cpu time spent up to now is 670.5 secs Computing kpt #: 157 total cpu time spent up to now is 675.1 secs Computing kpt #: 158 total cpu time spent up to now is 679.8 secs Computing kpt #: 159 total cpu time spent up to now is 684.4 secs Computing kpt #: 160 total cpu time spent up to now is 689.1 secs Computing kpt #: 161 total cpu time spent up to now is 693.6 secs Computing kpt #: 162 total cpu time spent up to now is 698.2 secs Computing kpt #: 163 total cpu time spent up to now is 702.2 secs Computing kpt #: 164 total cpu time spent up to now is 706.4 secs Computing kpt #: 165 total cpu time spent up to now is 710.5 secs Computing kpt #: 166 total cpu time spent up to now is 714.5 secs Computing kpt #: 167 total cpu time spent up to now is 718.6 secs Computing kpt #: 168 total cpu time spent up to now is 722.6 secs Computing kpt #: 169 total cpu time spent up to now is 726.6 secs Computing kpt #: 170 total cpu time spent up to now is 730.8 secs Computing kpt #: 171 total cpu time spent up to now is 735.2 secs Computing kpt #: 172 total cpu time spent up to now is 739.3 secs Computing kpt #: 173 total cpu time spent up to now is 743.4 secs Computing kpt #: 174 total cpu time spent up to now is 747.5 secs Computing kpt #: 175 total cpu time spent up to now is 751.5 secs Computing kpt #: 176 total cpu time spent up to now is 755.6 secs Computing kpt #: 177 total cpu time spent up to now is 759.6 secs Computing kpt #: 178 total cpu time spent up to now is 763.5 secs Computing kpt #: 179 total cpu time spent up to now is 768.6 secs Computing kpt #: 180 total cpu time spent up to now is 772.8 secs Computing kpt #: 181 total cpu time spent up to now is 776.7 secs Computing kpt #: 182 total cpu time spent up to now is 780.6 secs Computing kpt #: 183 total cpu time spent up to now is 784.6 secs Computing kpt #: 184 total cpu time spent up to now is 788.6 secs Computing kpt #: 185 total cpu time spent up to now is 792.5 secs Computing kpt #: 186 total cpu time spent up to now is 796.5 secs Computing kpt #: 187 total cpu time spent up to now is 800.4 secs Computing kpt #: 188 total cpu time spent up to now is 804.3 secs Computing kpt #: 189 total cpu time spent up to now is 808.3 secs Computing kpt #: 190 total cpu time spent up to now is 812.3 secs Computing kpt #: 191 total cpu time spent up to now is 816.3 secs Computing kpt #: 192 total cpu time spent up to now is 820.2 secs Computing kpt #: 193 total cpu time spent up to now is 824.1 secs Computing kpt #: 194 total cpu time spent up to now is 828.1 secs Computing kpt #: 195 total cpu time spent up to now is 831.9 secs Computing kpt #: 196 total cpu time spent up to now is 835.9 secs Computing kpt #: 197 total cpu time spent up to now is 839.9 secs Computing kpt #: 198 total cpu time spent up to now is 843.8 secs Computing kpt #: 199 total cpu time spent up to now is 847.7 secs Computing kpt #: 200 total cpu time spent up to now is 851.6 secs Computing kpt #: 201 total cpu time spent up to now is 855.5 secs Computing kpt #: 202 total cpu time spent up to now is 859.5 secs Computing kpt #: 203 total cpu time spent up to now is 863.5 secs Computing kpt #: 204 total cpu time spent up to now is 867.4 secs Computing kpt #: 205 total cpu time spent up to now is 871.3 secs Computing kpt #: 206 total cpu time spent up to now is 875.3 secs Computing kpt #: 207 total cpu time spent up to now is 879.3 secs Computing kpt #: 208 total cpu time spent up to now is 883.3 secs Computing kpt #: 209 total cpu time spent up to now is 887.3 secs Computing kpt #: 210 total cpu time spent up to now is 891.3 secs Computing kpt #: 211 total cpu time spent up to now is 895.3 secs Computing kpt #: 212 total cpu time spent up to now is 899.3 secs Computing kpt #: 213 total cpu time spent up to now is 903.3 secs Computing kpt #: 214 total cpu time spent up to now is 907.3 secs Computing kpt #: 215 total cpu time spent up to now is 911.4 secs Computing kpt #: 216 total cpu time spent up to now is 915.5 secs Computing kpt #: 217 total cpu time spent up to now is 919.4 secs Computing kpt #: 218 total cpu time spent up to now is 923.6 secs Computing kpt #: 219 total cpu time spent up to now is 927.5 secs Computing kpt #: 220 total cpu time spent up to now is 932.1 secs Computing kpt #: 221 total cpu time spent up to now is 936.7 secs Computing kpt #: 222 total cpu time spent up to now is 941.2 secs Computing kpt #: 223 total cpu time spent up to now is 945.7 secs Computing kpt #: 224 total cpu time spent up to now is 950.3 secs Computing kpt #: 225 total cpu time spent up to now is 954.9 secs Computing kpt #: 226 total cpu time spent up to now is 959.7 secs Computing kpt #: 227 total cpu time spent up to now is 964.5 secs Computing kpt #: 228 total cpu time spent up to now is 969.2 secs Computing kpt #: 229 total cpu time spent up to now is 973.9 secs Computing kpt #: 230 total cpu time spent up to now is 978.5 secs Computing kpt #: 231 total cpu time spent up to now is 983.3 secs Computing kpt #: 232 total cpu time spent up to now is 988.1 secs Computing kpt #: 233 total cpu time spent up to now is 992.7 secs Computing kpt #: 234 total cpu time spent up to now is 997.5 secs Computing kpt #: 235 total cpu time spent up to now is 1002.1 secs Computing kpt #: 236 total cpu time spent up to now is 1006.8 secs Computing kpt #: 237 total cpu time spent up to now is 1011.5 secs Computing kpt #: 238 total cpu time spent up to now is 1016.4 secs Computing kpt #: 239 total cpu time spent up to now is 1021.2 secs Computing kpt #: 240 total cpu time spent up to now is 1025.8 secs Computing kpt #: 241 total cpu time spent up to now is 1030.5 secs Computing kpt #: 242 total cpu time spent up to now is 1035.2 secs Computing kpt #: 243 total cpu time spent up to now is 1039.8 secs Computing kpt #: 244 total cpu time spent up to now is 1044.5 secs Computing kpt #: 245 total cpu time spent up to now is 1049.1 secs Computing kpt #: 246 total cpu time spent up to now is 1053.7 secs Computing kpt #: 247 total cpu time spent up to now is 1058.2 secs Computing kpt #: 248 total cpu time spent up to now is 1062.7 secs Computing kpt #: 249 total cpu time spent up to now is 1068.8 secs Computing kpt #: 250 total cpu time spent up to now is 1074.4 secs Computing kpt #: 251 total cpu time spent up to now is 1078.9 secs Computing kpt #: 252 total cpu time spent up to now is 1083.5 secs Computing kpt #: 253 total cpu time spent up to now is 1088.2 secs Computing kpt #: 254 total cpu time spent up to now is 1092.9 secs Computing kpt #: 255 total cpu time spent up to now is 1097.7 secs Computing kpt #: 256 total cpu time spent up to now is 1102.4 secs Computing kpt #: 257 total cpu time spent up to now is 1106.4 secs Computing kpt #: 258 total cpu time spent up to now is 1111.3 secs Computing kpt #: 259 total cpu time spent up to now is 1116.0 secs Computing kpt #: 260 total cpu time spent up to now is 1120.8 secs Computing kpt #: 261 total cpu time spent up to now is 1126.3 secs Computing kpt #: 262 total cpu time spent up to now is 1131.3 secs Computing kpt #: 263 total cpu time spent up to now is 1136.0 secs Computing kpt #: 264 total cpu time spent up to now is 1140.8 secs Computing kpt #: 265 total cpu time spent up to now is 1145.6 secs Computing kpt #: 266 total cpu time spent up to now is 1150.3 secs Computing kpt #: 267 total cpu time spent up to now is 1154.9 secs Computing kpt #: 268 total cpu time spent up to now is 1159.5 secs Computing kpt #: 269 total cpu time spent up to now is 1164.0 secs Computing kpt #: 270 total cpu time spent up to now is 1168.5 secs Computing kpt #: 271 total cpu time spent up to now is 1172.7 secs Computing kpt #: 272 total cpu time spent up to now is 1176.8 secs Computing kpt #: 273 total cpu time spent up to now is 1181.4 secs Computing kpt #: 274 total cpu time spent up to now is 1185.9 secs Computing kpt #: 275 total cpu time spent up to now is 1190.4 secs Computing kpt #: 276 total cpu time spent up to now is 1195.0 secs Computing kpt #: 277 total cpu time spent up to now is 1199.6 secs Computing kpt #: 278 total cpu time spent up to now is 1204.2 secs Computing kpt #: 279 total cpu time spent up to now is 1208.9 secs Computing kpt #: 280 total cpu time spent up to now is 1213.6 secs Computing kpt #: 281 total cpu time spent up to now is 1218.5 secs Computing kpt #: 282 total cpu time spent up to now is 1223.3 secs Computing kpt #: 283 total cpu time spent up to now is 1228.3 secs Computing kpt #: 284 total cpu time spent up to now is 1233.1 secs Computing kpt #: 285 total cpu time spent up to now is 1237.9 secs Computing kpt #: 286 total cpu time spent up to now is 1242.7 secs Computing kpt #: 287 total cpu time spent up to now is 1247.5 secs Computing kpt #: 288 total cpu time spent up to now is 1252.3 secs Computing kpt #: 289 total cpu time spent up to now is 1257.0 secs Computing kpt #: 290 total cpu time spent up to now is 1261.9 secs Computing kpt #: 291 total cpu time spent up to now is 1266.9 secs Computing kpt #: 292 total cpu time spent up to now is 1271.5 secs Computing kpt #: 293 total cpu time spent up to now is 1276.1 secs Computing kpt #: 294 total cpu time spent up to now is 1280.7 secs Computing kpt #: 295 total cpu time spent up to now is 1285.2 secs Computing kpt #: 296 total cpu time spent up to now is 1289.7 secs Computing kpt #: 297 total cpu time spent up to now is 1293.8 secs Computing kpt #: 298 total cpu time spent up to now is 1298.4 secs Computing kpt #: 299 total cpu time spent up to now is 1303.0 secs Computing kpt #: 300 total cpu time spent up to now is 1307.8 secs Computing kpt #: 301 total cpu time spent up to now is 1312.5 secs Computing kpt #: 302 total cpu time spent up to now is 1317.1 secs Computing kpt #: 303 total cpu time spent up to now is 1321.9 secs Computing kpt #: 304 total cpu time spent up to now is 1326.6 secs Computing kpt #: 305 total cpu time spent up to now is 1331.4 secs Computing kpt #: 306 total cpu time spent up to now is 1336.1 secs ethr = 2.78E-11, avg # of iterations = 37.1 total cpu time spent up to now is 1336.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7457 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3818 -10.3818 -10.1161 -10.1161 -10.1158 -10.1158 -6.7764 -6.7764 -6.2171 -6.2171 0.5528 0.5528 1.7894 1.7894 1.9370 1.9370 2.3157 2.3157 3.0445 3.0445 3.2369 3.2369 3.6939 3.6939 3.7042 3.7042 4.8719 4.8719 5.1458 5.1458 5.2676 5.2676 5.9069 5.9069 k = 0.0000 0.0000 0.0254 ( 7461 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3818 -10.3818 -10.1162 -10.1162 -10.1159 -10.1158 -6.7758 -6.7758 -6.2171 -6.2169 0.5518 0.5556 1.7848 1.7914 1.9335 1.9381 2.3096 2.3216 3.0421 3.0431 3.2319 3.2365 3.6939 3.6962 3.7021 3.7077 4.8639 4.8750 5.1388 5.1417 5.2613 5.2702 5.9165 5.9170 k = 0.0000 0.0000 0.0508 ( 7449 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7262 -26.7262 -10.3819 -10.3819 -10.1164 -10.1164 -10.1159 -10.1158 -6.7741 -6.7741 -6.2168 -6.2165 0.5524 0.5600 1.7778 1.7903 1.9278 1.9364 2.3033 2.3273 3.0358 3.0376 3.2218 3.2313 3.6953 3.6981 3.7038 3.7133 4.8514 4.8730 5.1219 5.1267 5.2513 5.2696 5.9448 5.9457 k = 0.0000 0.0000 0.0763 ( 7465 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7262 -26.7262 -10.3821 -10.3821 -10.1168 -10.1167 -10.1159 -10.1158 -6.7713 -6.7712 -6.2163 -6.2159 0.5547 0.5662 1.7685 1.7857 1.9206 1.9318 2.2966 2.3328 3.0257 3.0275 3.2071 3.2223 3.6966 3.6967 3.7117 3.7220 4.8346 4.8657 5.0970 5.1022 5.2383 5.2664 5.9894 5.9907 k = 0.0000 0.0000 0.1017 ( 7479 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7262 -26.7262 -10.3823 -10.3823 -10.1172 -10.1172 -10.1159 -10.1158 -6.7673 -6.7673 -6.2156 -6.2150 0.5585 0.5741 1.7572 1.7771 1.9125 1.9243 2.2896 2.3383 3.0116 3.0126 3.1887 3.2108 3.6948 3.6975 3.7225 3.7334 4.8142 4.8535 5.0659 5.0707 5.2234 5.2608 6.0474 6.0489 k = 0.0000 0.0000 0.1271 ( 7479 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7261 -26.7261 -10.3826 -10.3825 -10.1178 -10.1178 -10.1159 -10.1158 -6.7622 -6.7622 -6.2146 -6.2139 0.5639 0.5837 1.7439 1.7640 1.9040 1.9142 2.2823 2.3438 2.9927 2.9932 3.1679 3.1978 3.6927 3.6978 3.7350 3.7470 4.7908 4.8369 5.0304 5.0346 5.2075 5.2532 6.1162 6.1178 k = 0.0000 0.0000 0.1525 ( 7481 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7261 -26.7261 -10.3830 -10.3829 -10.1186 -10.1185 -10.1159 -10.1157 -6.7560 -6.7560 -6.2134 -6.2126 0.5706 0.5949 1.7286 1.7463 1.8956 1.9017 2.2748 2.3492 2.9676 2.9703 3.1458 3.1843 3.6904 3.6978 3.7486 3.7620 4.7649 4.8166 4.9917 4.9957 5.1912 5.2437 6.1935 6.1950 k = 0.0000 0.0000 0.1779 ( 7477 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7260 -26.7260 -10.3834 -10.3833 -10.1194 -10.1194 -10.1158 -10.1157 -6.7488 -6.7487 -6.2120 -6.2110 0.5787 0.6078 1.7113 1.7241 1.8871 1.8872 2.2672 2.3546 2.9377 2.9427 3.1234 3.1709 3.6880 3.6974 3.7628 3.7778 4.7369 4.7934 4.9506 4.9553 5.1748 5.2325 6.2774 6.2789 k = 0.0000 0.0000 0.2034 ( 7471 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7260 -26.7260 -10.3838 -10.3837 -10.1204 -10.1203 -10.1158 -10.1157 -6.7405 -6.7405 -6.2103 -6.2093 0.5879 0.6221 1.6920 1.6977 1.8710 1.8789 2.2594 2.3600 2.9036 2.9106 3.1014 3.1579 3.6853 3.6966 3.7772 3.7939 4.7072 4.7682 4.9076 4.9147 5.1585 5.2198 6.3666 6.3680 k = 0.0000 0.0000 0.2288 ( 7461 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7259 -26.7259 -10.3844 -10.3842 -10.1214 -10.1214 -10.1158 -10.1156 -6.7312 -6.7312 -6.2085 -6.2073 0.5981 0.6379 1.6676 1.6707 1.8537 1.8705 2.2517 2.3652 2.8657 2.8743 3.0801 3.1452 3.6825 3.6956 3.7915 3.8100 4.6760 4.7418 4.8634 4.8745 5.1423 5.2057 6.4600 6.4612 k = 0.0000 0.0000 0.2542 ( 7473 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7258 -26.7258 -10.3849 -10.3848 -10.1226 -10.1226 -10.1158 -10.1156 -6.7210 -6.7210 -6.2064 -6.2051 0.6092 0.6550 1.6342 1.6476 1.8356 1.8617 2.2439 2.3703 2.8250 2.8344 3.0596 3.1329 3.6795 3.6942 3.8055 3.8258 4.6435 4.7145 4.8184 4.8356 5.1259 5.1904 6.5565 6.5577 k = 0.0000 0.0000 0.2796 ( 7467 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7257 -26.7257 -10.3855 -10.3854 -10.1239 -10.1238 -10.1157 -10.1155 -6.7099 -6.7098 -6.2041 -6.2026 0.6208 0.6734 1.5982 1.6229 1.8171 1.8524 2.2362 2.3752 2.7819 2.7917 3.0398 3.1208 3.6763 3.6927 3.8191 3.8412 4.6097 4.6866 4.7736 4.7985 5.1093 5.1739 6.6554 6.6565 k = 0.0000 0.0000 0.3050 ( 7467 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7256 -26.7256 -10.3862 -10.3860 -10.1252 -10.1251 -10.1157 -10.1154 -6.6979 -6.6978 -6.2015 -6.2000 0.6327 0.6928 1.5599 1.5967 1.7985 1.8424 2.2287 2.3797 2.7371 2.7468 3.0205 3.1089 3.6730 3.6909 3.8321 3.8559 4.5745 4.6575 4.7302 4.7637 5.0922 5.1563 6.7558 6.7568 k = 0.0000 0.0000 0.3305 ( 7465 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2007 -26.7255 -26.7255 -10.3869 -10.3867 -10.1266 -10.1265 -10.1156 -10.1154 -6.6851 -6.6850 -6.1988 -6.1972 0.6447 0.7132 1.5199 1.5696 1.7800 1.8319 2.2213 2.3839 2.6912 2.7004 3.0017 3.0972 3.6695 3.6888 3.8445 3.8699 4.5381 4.6257 4.6899 4.7315 5.0745 5.1375 6.8570 6.8580 k = 0.0000 0.0000 0.3559 ( 7453 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2007 -26.7254 -26.7254 -10.3877 -10.3875 -10.1281 -10.1280 -10.1156 -10.1153 -6.6715 -6.6715 -6.1959 -6.1942 0.6563 0.7342 1.4787 1.5420 1.7618 1.8206 2.2141 2.3876 2.6447 2.6532 2.9834 3.0856 3.6659 3.6866 3.8563 3.8832 4.5006 4.5898 4.6551 4.7021 5.0561 5.1178 6.9581 6.9591 k = 0.0000 0.0000 0.3813 ( 7445 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2007 -26.7253 -26.7253 -10.3885 -10.3883 -10.1296 -10.1295 -10.1155 -10.1152 -6.6573 -6.6572 -6.1928 -6.1910 0.6673 0.7557 1.4366 1.5145 1.7440 1.8088 2.2070 2.3904 2.5980 2.6059 2.9654 3.0742 3.6622 3.6842 3.8675 3.8957 4.4621 4.5494 4.6260 4.6752 5.0369 5.0968 7.0584 7.0595 k = 0.0000 0.0000 0.4067 ( 7459 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2007 -26.7252 -26.7252 -10.3893 -10.3891 -10.1312 -10.1311 -10.1154 -10.1151 -6.6424 -6.6423 -6.1895 -6.1876 0.6771 0.7773 1.3943 1.4876 1.7267 1.7964 2.1999 2.3917 2.5515 2.5595 2.9478 3.0630 3.6582 3.6815 3.8780 3.9074 4.4231 4.5061 4.6013 4.6508 5.0167 5.0747 7.1571 7.1582 k = 0.0000 0.0000 0.4321 ( 7451 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2007 -26.7250 -26.7250 -10.3901 -10.3899 -10.1328 -10.1327 -10.1153 -10.1150 -6.6269 -6.6269 -6.1860 -6.1840 0.6854 0.7987 1.3523 1.4620 1.7100 1.7835 2.1928 2.3900 2.5058 2.5160 2.9307 3.0519 3.6543 3.6788 3.8879 3.9184 4.3839 4.4616 4.5795 4.6285 4.9955 5.0514 7.2532 7.2544 k = 0.0000 0.0000 0.4576 ( 7437 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2007 -26.7249 -26.7249 -10.3910 -10.3908 -10.1344 -10.1343 -10.1152 -10.1149 -6.6110 -6.6109 -6.1823 -6.1803 0.6915 0.8192 1.3111 1.4383 1.6940 1.7702 2.1854 2.3815 2.4614 2.4793 2.9140 3.0412 3.6502 3.6759 3.8973 3.9286 4.3448 4.4169 4.5598 4.6081 4.9732 5.0269 7.3459 7.3471 k = 0.0000 0.0000 0.4830 ( 7429 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2859 -43.2859 -43.2008 -43.2007 -26.7248 -26.7248 -10.3919 -10.3917 -10.1361 -10.1360 -10.1151 -10.1148 -6.5945 -6.5945 -6.1785 -6.1764 0.6952 0.8381 1.2718 1.4169 1.6788 1.7567 2.1774 2.3603 2.4188 2.4558 2.8979 3.0307 3.6461 3.6730 3.9061 3.9380 4.3060 4.3726 4.5415 4.5891 4.9497 5.0011 7.4340 7.4353 k = 0.0000 0.0000 0.5084 ( 7435 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2859 -43.2859 -43.2008 -43.2007 -26.7246 -26.7246 -10.3928 -10.3926 -10.1377 -10.1377 -10.1150 -10.1147 -6.5778 -6.5777 -6.1745 -6.1724 0.6960 0.8545 1.2352 1.3984 1.6644 1.7430 2.1684 2.3262 2.3788 2.4459 2.8822 3.0206 3.6420 3.6700 3.9145 3.9466 4.2679 4.3290 4.5242 4.5714 4.9249 4.9738 7.5164 7.5178 k = 0.0000 0.0000 0.5338 ( 7435 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2859 -43.2859 -43.2008 -43.2007 -26.7245 -26.7245 -10.3937 -10.3935 -10.1394 -10.1393 -10.1149 -10.1146 -6.5607 -6.5606 -6.1704 -6.1682 0.6936 0.8669 1.2029 1.3829 1.6511 1.7294 2.1575 2.2855 2.3424 2.4434 2.8672 3.0108 3.6379 3.6669 3.9223 3.9546 4.2305 4.2862 4.5077 4.5546 4.8988 4.9452 7.5918 7.5934 k = 0.0000 0.0000 0.5592 ( 7439 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2859 -43.2859 -43.2008 -43.2007 -26.7244 -26.7244 -10.3947 -10.3944 -10.1411 -10.1410 -10.1148 -10.1145 -6.5434 -6.5433 -6.1662 -6.1640 0.6879 0.8736 1.1764 1.3705 1.6391 1.7160 2.1439 2.2428 2.3107 2.4442 2.8527 3.0015 3.6338 3.6639 3.9297 3.9619 4.1942 4.2445 4.4917 4.5384 4.8714 4.9151 7.6590 7.6608 k = 0.0000 0.0000 0.5847 ( 7437 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2009 -43.2007 -26.7242 -26.7242 -10.3956 -10.3954 -10.1427 -10.1427 -10.1147 -10.1143 -6.5259 -6.5258 -6.1619 -6.1596 0.6788 0.8728 1.1576 1.3610 1.6286 1.7030 2.1267 2.1999 2.2849 2.4465 2.8390 2.9925 3.6298 3.6609 3.9366 3.9685 4.1589 4.2041 4.4761 4.5227 4.8425 4.8835 7.7163 7.7185 k = 0.0000 0.0000 0.6101 ( 7431 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2859 -43.2859 -43.2009 -43.2007 -26.7241 -26.7241 -10.3965 -10.3963 -10.1443 -10.1443 -10.1145 -10.1142 -6.5083 -6.5083 -6.1574 -6.1551 0.6668 0.8636 1.1471 1.3539 1.6199 1.6905 2.1054 2.1577 2.2655 2.4497 2.8258 2.9840 3.6259 3.6581 3.9432 3.9745 4.1250 4.1649 4.4606 4.5072 4.8122 4.8503 7.7621 7.7646 k = 0.0000 0.0000 0.6355 ( 7436 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2859 -43.2859 -43.2009 -43.2007 -26.7239 -26.7239 -10.3975 -10.3972 -10.1459 -10.1459 -10.1144 -10.1141 -6.4907 -6.4907 -6.1529 -6.1506 0.6520 0.8465 1.1445 1.3487 1.6133 1.6788 2.0807 2.1166 2.2521 2.4535 2.8134 2.9759 3.6221 3.6553 3.9494 3.9799 4.0923 4.1271 4.4450 4.4916 4.7805 4.8156 7.7941 7.7967 k = 0.0000 0.0000 0.6609 ( 7440 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2859 -43.2859 -43.2009 -43.2007 -26.7238 -26.7238 -10.3984 -10.3982 -10.1475 -10.1475 -10.1142 -10.1140 -6.4732 -6.4732 -6.1483 -6.1460 0.6350 0.8233 1.1478 1.3446 1.6090 1.6681 2.0538 2.0770 2.2436 2.4578 2.8017 2.9683 3.6185 3.6528 3.9552 3.9847 4.0611 4.0907 4.4292 4.4759 4.7473 4.7793 7.8091 7.8104 k = 0.0000 0.0000 0.6863 ( 7436 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2859 -43.2859 -43.2009 -43.2007 -26.7236 -26.7236 -10.3993 -10.3991 -10.1491 -10.1490 -10.1141 -10.1138 -6.4558 -6.4558 -6.1437 -6.1414 0.6163 0.7960 1.1546 1.3409 1.6072 1.6586 2.0260 2.0391 2.2389 2.4624 2.7908 2.9612 3.6152 3.6505 3.9607 3.9888 4.0313 4.0559 4.4131 4.4597 4.7127 4.7414 7.7998 7.8036 k = 0.0000 0.0000 0.7118 ( 7436 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2009 -43.2007 -26.7235 -26.7235 -10.4002 -10.4000 -10.1506 -10.1505 -10.1140 -10.1137 -6.4386 -6.4386 -6.1391 -6.1368 0.5963 0.7664 1.1632 1.3370 1.6080 1.6505 1.9984 2.0030 2.2369 2.4675 2.7806 2.9545 3.6122 3.6485 3.9659 3.9923 4.0031 4.0226 4.3965 4.4430 4.6766 4.7020 7.7641 7.7761 k = 0.0000 0.0000 0.7372 ( 7432 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2009 -43.2007 -26.7233 -26.7233 -10.4010 -10.4008 -10.1520 -10.1520 -10.1138 -10.1135 -6.4216 -6.4216 -6.1344 -6.1322 0.5755 0.7356 1.1722 1.3325 1.6114 1.6438 1.9688 1.9716 2.2372 2.4728 2.7713 2.9483 3.6096 3.6468 3.9706 3.9766 3.9901 3.9960 4.3793 4.4257 4.6393 4.6611 7.7128 7.7314 k = 0.0000 0.0000 0.7626 ( 7432 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2007 -26.7232 -26.7232 -10.4019 -10.4017 -10.1534 -10.1534 -10.1137 -10.1134 -6.4050 -6.4050 -6.1298 -6.1276 0.5544 0.7047 1.1805 1.3270 1.6171 1.6388 1.9367 1.9460 2.2393 2.4784 2.7627 2.9425 3.6073 3.6456 3.9513 3.9605 3.9753 3.9977 4.3614 4.4075 4.6008 4.6189 7.6558 7.6777 k = 0.0000 0.0000 0.7880 ( 7436 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2007 -26.7231 -26.7231 -10.4027 -10.4025 -10.1548 -10.1547 -10.1135 -10.1133 -6.3888 -6.3888 -6.1252 -6.1231 0.5332 0.6741 1.1877 1.3207 1.6247 1.6354 1.9067 1.9221 2.2430 2.4843 2.7551 2.9371 3.6054 3.6447 3.9279 3.9321 3.9794 3.9992 4.3429 4.3885 4.5612 4.5754 7.5989 7.6214 k = 0.0000 0.0000 0.8134 ( 7436 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2007 -26.7229 -26.7229 -10.4035 -10.4033 -10.1560 -10.1560 -10.1134 -10.1132 -6.3731 -6.3730 -6.1207 -6.1186 0.5124 0.6442 1.1934 1.3134 1.6335 1.6337 1.8790 1.9000 2.2480 2.4903 2.7483 2.9320 3.6041 3.6444 3.9054 3.9062 3.9831 3.9999 4.3237 4.3686 4.5207 4.5308 7.5447 7.5661 k = 0.0000 0.0000 0.8389 ( 7432 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2007 -26.7228 -26.7228 -10.4042 -10.4041 -10.1573 -10.1572 -10.1133 -10.1130 -6.3578 -6.3578 -6.1162 -6.1142 0.4922 0.6154 1.1974 1.3054 1.6328 1.6435 1.8537 1.8800 2.2543 2.4963 2.7427 2.9274 3.6033 3.6447 3.8805 3.8862 3.9864 3.9997 4.3041 4.3479 4.4794 4.4853 7.4945 7.5140 k = 0.0000 0.0000 0.8643 ( 7440 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2007 -26.7227 -26.7227 -10.4050 -10.4048 -10.1584 -10.1584 -10.1131 -10.1129 -6.3431 -6.3431 -6.1119 -6.1099 0.4728 0.5876 1.1999 1.2969 1.6332 1.6536 1.8309 1.8621 2.2617 2.5022 2.7381 2.9230 3.6032 3.6455 3.8573 3.8681 3.9891 3.9985 4.2841 4.3264 4.4376 4.4390 7.4490 7.4660 k = 0.0000 0.0000 0.8897 ( 7440 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7226 -26.7226 -10.4056 -10.4055 -10.1595 -10.1595 -10.1130 -10.1128 -6.3291 -6.3291 -6.1077 -6.1058 0.4543 0.5612 1.2010 1.2880 1.6342 1.6633 1.8109 1.8464 2.2701 2.5078 2.7348 2.9190 3.6037 3.6470 3.8361 3.8517 3.9911 3.9959 4.2640 4.3044 4.3922 4.3955 7.4085 7.4228 k = 0.0000 0.0000 0.9151 ( 7438 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7224 -26.7224 -10.4063 -10.4061 -10.1605 -10.1605 -10.1129 -10.1127 -6.3157 -6.3157 -6.1036 -6.1018 0.4369 0.5361 1.2010 1.2789 1.6356 1.6718 1.7940 1.8331 2.2795 2.5128 2.7329 2.9151 3.6049 3.6492 3.8169 3.8373 3.9920 3.9924 4.2440 4.2821 4.3451 4.3535 7.3730 7.3845 k = 0.0000 0.0000 0.9405 ( 7434 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2861 -43.2860 -43.2008 -43.2008 -26.7223 -26.7223 -10.4069 -10.4067 -10.1615 -10.1615 -10.1128 -10.1126 -6.3031 -6.3031 -6.0997 -6.0980 0.4208 0.5125 1.2000 1.2699 1.6368 1.6781 1.7809 1.8222 2.2897 2.5170 2.7326 2.9114 3.6070 3.6522 3.7997 3.8248 3.9862 3.9925 4.2245 4.2598 4.2980 4.3119 7.3425 7.3513 k = 0.0000 0.0000 0.9659 ( 7438 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2861 -43.2861 -43.2008 -43.2008 -26.7222 -26.7222 -10.4075 -10.4073 -10.1624 -10.1624 -10.1127 -10.1125 -6.2912 -6.2912 -6.0960 -6.0943 0.4060 0.4904 1.1984 1.2610 1.6377 1.6814 1.7722 1.8135 2.3007 2.5202 2.7339 2.9078 3.6098 3.6559 3.7845 3.8142 3.9785 3.9913 4.2054 4.2378 4.2514 4.2714 7.3169 7.3231 k = 0.0000 0.0000 0.9914 ( 7436 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7221 -26.7221 -10.4080 -10.4078 -10.1632 -10.1632 -10.1126 -10.1124 -6.2801 -6.2801 -6.0924 -6.0909 0.3925 0.4697 1.1964 1.2523 1.6381 1.6811 1.7682 1.8071 2.3123 2.5221 2.7370 2.9042 3.6136 3.6604 3.7716 3.8056 3.9686 3.9885 4.1862 4.2048 4.2172 4.2333 7.2958 7.2996 k = 0.0000 0.0000 1.0168 ( 7440 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7221 -26.7221 -10.4084 -10.4083 -10.1640 -10.1640 -10.1125 -10.1123 -6.2699 -6.2699 -6.0891 -6.0878 0.3805 0.4506 1.1943 1.2440 1.6378 1.6776 1.7681 1.8026 2.3245 2.5226 2.7418 2.9005 3.6182 3.6658 3.7610 3.7992 3.9565 3.9835 4.1597 4.1638 4.1977 4.2011 7.2789 7.2806 k = 0.0000 0.0000 1.0422 ( 7448 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7220 -26.7220 -10.4089 -10.4088 -10.1646 -10.1646 -10.1124 -10.1123 -6.2605 -6.2605 -6.0861 -6.0848 0.3699 0.4329 1.1922 1.2361 1.6371 1.6722 1.7707 1.7997 2.3372 2.5216 2.7483 2.8967 3.6239 3.6720 3.7527 3.7948 3.9423 3.9761 4.1157 4.1343 4.1792 4.1804 7.2656 7.2657 k = 0.0000 0.0000 1.0676 ( 7456 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7219 -26.7219 -10.4093 -10.4092 -10.1652 -10.1652 -10.1123 -10.1122 -6.2521 -6.2521 -6.0833 -6.0822 0.3608 0.4168 1.1902 1.2287 1.6359 1.6659 1.7747 1.7982 2.3503 2.5191 2.7562 2.8926 3.6306 3.6790 3.7469 3.7925 3.9264 3.9660 4.0734 4.1004 4.1653 4.1657 7.2542 7.2558 k = 0.0000 0.0000 1.0930 ( 7456 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7218 -26.7218 -10.4096 -10.4095 -10.1658 -10.1658 -10.1122 -10.1121 -6.2446 -6.2446 -6.0808 -6.0798 0.3531 0.4021 1.1885 1.2218 1.6346 1.6596 1.7791 1.7977 2.3636 2.5151 2.7654 2.8882 3.6383 3.6868 3.7435 3.7925 3.9095 3.9530 4.0332 4.0659 4.1539 4.1554 7.2459 7.2486 k = 0.0000 0.0000 1.1185 ( 7464 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7218 -26.7218 -10.4099 -10.4098 -10.1662 -10.1662 -10.1122 -10.1121 -6.2380 -6.2380 -6.0786 -6.0777 0.3470 0.3890 1.1873 1.2155 1.6332 1.6537 1.7834 1.7977 2.3770 2.5097 2.7756 2.8833 3.6471 3.6953 3.7423 3.7944 3.8923 3.9374 3.9958 4.0325 4.1449 4.1480 7.2402 7.2436 k = 0.0000 0.0000 1.1439 ( 7464 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7217 -26.7217 -10.4102 -10.4101 -10.1666 -10.1666 -10.1121 -10.1121 -6.2324 -6.2324 -6.0767 -6.0760 0.3423 0.3774 1.1865 1.2098 1.6320 1.6483 1.7873 1.7981 2.3905 2.5031 2.7863 2.8778 3.6569 3.7046 3.7431 3.7983 3.8759 3.9193 3.9621 4.0008 4.1383 4.1423 7.2366 7.2402 k = 0.0000 0.0000 1.1693 ( 7472 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7217 -26.7217 -10.4104 -10.4103 -10.1670 -10.1670 -10.1121 -10.1120 -6.2279 -6.2279 -6.0751 -6.0745 0.3392 0.3672 1.1862 1.2048 1.6311 1.6437 1.7908 1.7986 2.4039 2.4953 2.7974 2.8717 3.6677 3.7142 3.7452 3.8035 3.8617 3.8994 3.9328 3.9713 4.1338 4.1380 7.2346 7.2380 k = 0.0000 0.0000 1.1947 ( 7464 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7217 -26.7217 -10.4105 -10.4105 -10.1672 -10.1672 -10.1120 -10.1120 -6.2243 -6.2243 -6.0738 -6.0734 0.3375 0.3585 1.1864 1.2003 1.6306 1.6398 1.7936 1.7991 2.4171 2.4864 2.8085 2.8649 3.6793 3.7228 3.7488 3.8084 3.8514 3.8799 3.9085 3.9442 4.1310 4.1347 7.2337 7.2367 k = 0.0000 0.0000 1.2201 ( 7460 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4106 -10.4106 -10.1674 -10.1674 -10.1120 -10.1120 -6.2217 -6.2217 -6.0729 -6.0726 0.3373 0.3513 1.1872 1.1965 1.6306 1.6366 1.7958 1.7993 2.4301 2.4766 2.8194 2.8573 3.6914 3.7266 3.7561 3.8088 3.8468 3.8666 3.8889 3.9198 4.1295 4.1322 7.2335 7.2357 k = 0.0000 0.0000 1.2456 ( 7468 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1675 -10.1675 -10.1120 -10.1120 -6.2202 -6.2202 -6.0723 -6.0722 0.3386 0.3456 1.1886 1.1932 1.6311 1.6341 1.7975 1.7991 2.4426 2.4659 2.8299 2.8489 3.7035 3.7231 3.7687 3.7996 3.8487 3.8635 3.8759 3.8986 4.1290 4.1304 7.2338 7.2350 k = 0.0000 0.0000 1.2710 ( 7462 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1675 -10.1675 -10.1120 -10.1120 -6.2197 -6.2197 -6.0721 -6.0721 0.3414 0.3414 1.1906 1.1906 1.6323 1.6323 1.7985 1.7985 2.4546 2.4546 2.8398 2.8398 3.7146 3.7146 3.7843 3.7843 3.8561 3.8561 3.8820 3.8820 4.1293 4.1293 7.2344 7.2344 k = 0.0000 0.0000 1.2710 ( 7462 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1675 -10.1675 -10.1120 -10.1120 -6.2197 -6.2197 -6.0721 -6.0721 0.3414 0.3414 1.1906 1.1906 1.6323 1.6323 1.7985 1.7985 2.4546 2.4546 2.8398 2.8398 3.7146 3.7146 3.7843 3.7843 3.8561 3.8561 3.8820 3.8820 4.1293 4.1293 7.2344 7.2344 k =-0.0092 0.0214 1.2710 ( 7464 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1675 -10.1675 -10.1120 -10.1120 -6.2198 -6.2197 -6.0726 -6.0726 0.3406 0.3440 1.1875 1.1943 1.6310 1.6339 1.7896 1.8079 2.4506 2.4581 2.8368 2.8401 3.7128 3.7142 3.7763 3.7895 3.8478 3.8650 3.8842 3.8893 4.1295 4.1304 7.2370 7.2372 k =-0.0183 0.0428 1.2710 ( 7468 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4106 -10.4106 -10.1674 -10.1674 -10.1120 -10.1120 -6.2201 -6.2199 -6.0742 -6.0742 0.3416 0.3484 1.1850 1.1986 1.6299 1.6361 1.7814 1.8175 2.4462 2.4611 2.8313 2.8379 3.7074 3.7130 3.7706 3.7856 3.8501 3.8669 3.8997 3.9012 4.1308 4.1330 7.2452 7.2457 k =-0.0275 0.0642 1.2710 ( 7464 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7217 -26.7217 -10.4106 -10.4105 -10.1673 -10.1673 -10.1121 -10.1120 -6.2206 -6.2202 -6.0768 -6.0767 0.3445 0.3547 1.1830 1.2035 1.6286 1.6390 1.7741 1.8273 2.4414 2.4636 2.8233 2.8332 3.6984 3.7119 3.7687 3.7744 3.8616 3.8694 3.9165 3.9192 4.1333 4.1374 7.2588 7.2595 k =-0.0366 0.0856 1.2710 ( 7472 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7217 -26.7217 -10.4104 -10.4104 -10.1670 -10.1670 -10.1121 -10.1120 -6.2213 -6.2208 -6.0804 -6.0804 0.3491 0.3627 1.1813 1.2091 1.6267 1.6429 1.7680 1.8370 2.4364 2.4656 2.8128 2.8262 3.6873 3.7110 3.7612 3.7695 3.8748 3.8767 3.9346 3.9389 4.1371 4.1439 7.2777 7.2787 k =-0.0458 0.1070 1.2710 ( 7464 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7217 -26.7217 -10.4103 -10.4102 -10.1668 -10.1668 -10.1121 -10.1120 -6.2221 -6.2215 -6.0850 -6.0850 0.3555 0.3726 1.1801 1.2153 1.6241 1.6477 1.7635 1.8468 2.4311 2.4671 2.8000 2.8172 3.6757 3.7102 3.7492 3.7719 3.8836 3.8932 3.9546 3.9576 4.1424 4.1533 7.3017 7.3029 k =-0.0458 0.1070 1.2710 ( 7464 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7217 -26.7217 -10.4103 -10.4102 -10.1668 -10.1668 -10.1121 -10.1120 -6.2221 -6.2215 -6.0850 -6.0850 0.3555 0.3726 1.1801 1.2153 1.6241 1.6477 1.7635 1.8468 2.4311 2.4671 2.8000 2.8172 3.6757 3.7102 3.7492 3.7719 3.8836 3.8932 3.9546 3.9576 4.1424 4.1533 7.3017 7.3029 k =-0.0529 0.1236 1.2529 ( 7468 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7217 -26.7217 -10.4101 -10.4100 -10.1665 -10.1665 -10.1122 -10.1121 -6.2232 -6.2224 -6.0893 -6.0892 0.3616 0.3820 1.1794 1.2208 1.6212 1.6525 1.7615 1.8540 2.4256 2.4691 2.7865 2.8109 3.6655 3.7111 3.7410 3.7758 3.8855 3.9120 3.9614 3.9843 4.1479 4.1629 7.3237 7.3253 k =-0.0600 0.1401 1.2349 ( 7458 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7218 -26.7218 -10.4099 -10.4098 -10.1662 -10.1662 -10.1122 -10.1121 -6.2248 -6.2240 -6.0944 -6.0942 0.3687 0.3933 1.1790 1.2271 1.6175 1.6584 1.7613 1.8607 2.4185 2.4722 2.7695 2.8056 3.6554 3.7117 3.7368 3.7822 3.8849 3.9266 3.9767 4.0135 4.1550 4.1752 7.3485 7.3507 k =-0.0671 0.1567 1.2169 ( 7454 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7218 -26.7218 -10.4096 -10.4095 -10.1658 -10.1658 -10.1123 -10.1121 -6.2270 -6.2261 -6.1001 -6.0998 0.3767 0.4059 1.1790 1.2341 1.6131 1.6653 1.7631 1.8667 2.4109 2.4754 2.7510 2.8003 3.6471 3.7084 3.7404 3.7904 3.8842 3.9325 4.0022 4.0426 4.1639 4.1905 7.3762 7.3790 k =-0.0742 0.1733 1.1988 ( 7452 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7219 -26.7219 -10.4094 -10.4092 -10.1653 -10.1653 -10.1123 -10.1122 -6.2298 -6.2288 -6.1065 -6.1061 0.3855 0.4194 1.1794 1.2417 1.6079 1.6729 1.7670 1.8722 2.4036 2.4786 2.7317 2.7948 3.6411 3.7035 3.7494 3.8001 3.8836 3.9347 4.0314 4.0707 4.1752 4.2091 7.4068 7.4102 k =-0.0813 0.1899 1.1808 ( 7453 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7220 -26.7220 -10.4090 -10.4089 -10.1648 -10.1648 -10.1124 -10.1122 -6.2331 -6.2320 -6.1133 -6.1129 0.3948 0.4335 1.1803 1.2501 1.6025 1.6811 1.7729 1.8771 2.3969 2.4817 2.7120 2.7893 3.6376 3.6993 3.7616 3.8113 3.8832 3.9358 4.0600 4.0970 4.1899 4.2314 7.4405 7.4442 k =-0.0884 0.2065 1.1627 ( 7447 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7220 -26.7220 -10.4087 -10.4086 -10.1643 -10.1642 -10.1124 -10.1122 -6.2369 -6.2357 -6.1207 -6.1202 0.4043 0.4476 1.1818 1.2590 1.5971 1.6895 1.7808 1.8817 2.3910 2.4848 2.6925 2.7842 3.6364 3.6968 3.7761 3.8240 3.8832 3.9368 4.0859 4.1207 4.2093 4.2571 7.4770 7.4811 k =-0.0955 0.2231 1.1447 ( 7448 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7221 -26.7221 -10.4084 -10.4082 -10.1637 -10.1637 -10.1124 -10.1122 -6.2412 -6.2399 -6.1285 -6.1279 0.4137 0.4613 1.1839 1.2685 1.5921 1.6979 1.7905 1.8859 2.3859 2.4885 2.6734 2.7797 3.6373 3.6960 3.7926 3.8379 3.8837 3.9384 4.1082 4.1407 4.2342 4.2858 7.5163 7.5205 k =-0.1026 0.2397 1.1267 ( 7447 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7222 -26.7222 -10.4080 -10.4078 -10.1631 -10.1630 -10.1124 -10.1122 -6.2459 -6.2445 -6.1366 -6.1359 0.4226 0.4742 1.1867 1.2785 1.5879 1.7059 1.8017 1.8899 2.3818 2.4930 2.6552 2.7761 3.6400 3.6969 3.8111 3.8530 3.8849 3.9409 4.1271 4.1574 4.2642 4.3165 7.5575 7.5619 k =-0.1096 0.2563 1.1086 ( 7439 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2861 -43.2861 -43.2008 -43.2008 -26.7223 -26.7223 -10.4076 -10.4074 -10.1624 -10.1624 -10.1123 -10.1121 -6.2510 -6.2496 -6.1450 -6.1443 0.4308 0.4857 1.1903 1.2889 1.5850 1.7137 1.8138 1.8937 2.3783 2.4989 2.6383 2.7736 3.6443 3.6993 3.8316 3.8688 3.8873 3.9448 4.1435 4.1715 4.2976 4.3485 7.5973 7.6026 k =-0.1167 0.2728 1.0906 ( 7437 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7224 -26.7224 -10.4072 -10.4071 -10.1617 -10.1617 -10.1122 -10.1120 -6.2564 -6.2550 -6.1536 -6.1528 0.4380 0.4956 1.1946 1.2996 1.5835 1.7213 1.8266 1.8974 2.3754 2.5062 2.6233 2.7725 3.6497 3.7030 3.8540 3.8829 3.8929 3.9509 4.1579 4.1840 4.3329 4.3810 7.6208 7.6314 k =-0.1238 0.2894 1.0725 ( 7431 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7225 -26.7225 -10.4068 -10.4067 -10.1611 -10.1610 -10.1121 -10.1119 -6.2622 -6.2607 -6.1623 -6.1615 0.4439 0.5036 1.1994 1.3104 1.5838 1.7289 1.8394 1.9012 2.3730 2.5148 2.6110 2.7730 3.6559 3.7078 3.8784 3.8908 3.9058 3.9603 4.1709 4.1955 4.3687 4.4134 7.6111 7.6278 k =-0.1309 0.3060 1.0545 ( 7427 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7226 -26.7226 -10.4065 -10.4063 -10.1604 -10.1603 -10.1120 -10.1117 -6.2682 -6.2666 -6.1711 -6.1703 0.4485 0.5094 1.2045 1.3211 1.5860 1.7371 1.8516 1.9050 2.3711 2.5230 2.6033 2.7751 3.6626 3.7133 3.8963 3.9057 3.9204 3.9741 4.1827 4.2064 4.4045 4.4453 7.5831 7.6022 k =-0.1380 0.3226 1.0365 ( 7425 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7227 -26.7227 -10.4061 -10.4059 -10.1597 -10.1597 -10.1117 -10.1115 -6.2744 -6.2728 -6.1798 -6.1790 0.4517 0.5130 1.2096 1.3313 1.5900 1.7461 1.8630 1.9089 2.3697 2.5279 2.6031 2.7791 3.6695 3.7191 3.9040 3.9332 3.9348 3.9932 4.1936 4.2168 4.4395 4.4763 7.5469 7.5674 k =-0.1451 0.3392 1.0184 ( 7421 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7228 -26.7228 -10.4058 -10.4056 -10.1591 -10.1590 -10.1115 -10.1112 -6.2808 -6.2792 -6.1885 -6.1876 0.4534 0.5144 1.2144 1.3408 1.5957 1.7566 1.8731 1.9131 2.3691 2.5272 2.6126 2.7849 3.6764 3.7248 3.9134 3.9460 3.9653 4.0169 4.2037 4.2269 4.4736 4.5063 7.5056 7.5274 k =-0.1522 0.3558 1.0004 ( 7425 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7229 -26.7229 -10.4054 -10.4052 -10.1585 -10.1584 -10.1112 -10.1109 -6.2874 -6.2857 -6.1970 -6.1961 0.4537 0.5137 1.2186 1.3491 1.6030 1.7688 1.8818 1.9176 2.3693 2.5220 2.6302 2.7926 3.6830 3.7302 3.9250 3.9585 3.9984 4.0442 4.2130 4.2368 4.5063 4.5352 7.4610 7.4840 k =-0.1593 0.3724 0.9823 ( 7432 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7230 -26.7230 -10.4051 -10.4049 -10.1579 -10.1578 -10.1108 -10.1105 -6.2939 -6.2923 -6.2052 -6.2043 0.4528 0.5112 1.2220 1.3560 1.6114 1.7830 1.8886 1.9230 2.3703 2.5144 2.6531 2.8022 3.6891 3.7348 3.9389 3.9717 4.0337 4.0743 4.2217 4.2464 4.5376 4.5630 7.4141 7.4382 k =-0.1664 0.3889 0.9643 ( 7429 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7231 -26.7231 -10.4048 -10.4046 -10.1574 -10.1573 -10.1104 -10.1101 -6.3005 -6.2988 -6.2132 -6.2123 0.4507 0.5070 1.2246 1.3613 1.6206 1.7990 1.8933 1.9300 2.3721 2.5062 2.6792 2.8135 3.6946 3.7387 3.9551 3.9863 4.0710 4.1067 4.2297 4.2559 4.5671 4.5897 7.3658 7.3910 k =-0.1735 0.4055 0.9462 ( 7437 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7232 -26.7232 -10.4045 -10.4043 -10.1569 -10.1568 -10.1099 -10.1097 -6.3070 -6.3053 -6.2209 -6.2200 0.4476 0.5015 1.2262 1.3648 1.6302 1.8166 1.8955 1.9391 2.3746 2.4978 2.7072 2.8264 3.6995 3.7417 3.9735 4.0025 4.1102 4.1408 4.2371 4.2654 4.5948 4.6156 7.3167 7.3430 k =-0.1806 0.4221 0.9282 ( 7433 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7233 -26.7233 -10.4043 -10.4041 -10.1565 -10.1563 -10.1094 -10.1092 -6.3134 -6.3118 -6.2281 -6.2272 0.4438 0.4950 1.2269 1.3666 1.6396 1.8355 1.8956 1.9506 2.3776 2.4897 2.7362 2.8406 3.7037 3.7439 3.9938 4.0203 4.1508 4.1760 4.2440 4.2750 4.6205 4.6408 7.2674 7.2947 k =-0.1877 0.4387 0.9102 ( 7427 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7233 -26.7233 -10.4040 -10.4039 -10.1561 -10.1559 -10.1089 -10.1087 -6.3196 -6.3180 -6.2350 -6.2341 0.4394 0.4877 1.2269 1.3668 1.6485 1.8547 1.8944 1.9642 2.3808 2.4821 2.7654 2.8559 3.7072 3.7454 4.0155 4.0398 4.1922 4.2113 4.2506 4.2855 4.6444 4.6655 7.2183 7.2467 k =-0.1948 0.4553 0.8921 ( 7437 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7234 -26.7234 -10.4038 -10.4036 -10.1557 -10.1556 -10.1084 -10.1081 -6.3256 -6.3240 -6.2414 -6.2405 0.4346 0.4800 1.2263 1.3657 1.6565 1.8722 1.8940 1.9795 2.3840 2.4749 2.7941 2.8717 3.7101 3.7463 4.0380 4.0608 4.2333 4.2441 4.2579 4.2984 4.6667 4.6898 7.1697 7.1990 k =-0.2019 0.4719 0.8741 ( 7435 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7235 -26.7235 -10.4036 -10.4035 -10.1554 -10.1553 -10.1078 -10.1076 -6.3312 -6.3297 -6.2473 -6.2465 0.4297 0.4721 1.2252 1.3635 1.6634 1.8795 1.9027 1.9961 2.3872 2.4683 2.8218 2.8877 3.7124 3.7466 4.0609 4.0831 4.2594 4.2697 4.2792 4.3186 4.6878 4.7135 7.1221 7.1522 k =-0.2090 0.4885 0.8560 ( 7434 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7236 -26.7236 -10.4035 -10.4033 -10.1551 -10.1550 -10.1073 -10.1071 -6.3365 -6.3351 -6.2528 -6.2519 0.4247 0.4641 1.2238 1.3606 1.6693 1.8773 1.9200 2.0134 2.3902 2.4623 2.8482 2.9036 3.7142 3.7466 4.0835 4.1064 4.2651 4.2888 4.3143 4.3497 4.7081 4.7367 7.0757 7.1065 k =-0.2161 0.5050 0.8380 ( 7447 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7237 -26.7237 -10.4033 -10.4032 -10.1549 -10.1548 -10.1068 -10.1066 -6.3414 -6.3400 -6.2577 -6.2569 0.4199 0.4565 1.2222 1.3572 1.6740 1.8731 1.9381 2.0307 2.3928 2.4569 2.8726 2.9188 3.7155 3.7464 4.1052 4.1300 4.2700 4.2998 4.3488 4.3865 4.7280 4.7591 7.0310 7.0621 k =-0.2232 0.5216 0.8200 ( 7439 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7237 -26.7237 -10.4032 -10.4030 -10.1548 -10.1546 -10.1063 -10.1061 -6.3459 -6.3445 -6.2621 -6.2612 0.4154 0.4492 1.2205 1.3536 1.6778 1.8685 1.9554 2.0474 2.3951 2.4522 2.8950 2.9330 3.7165 3.7459 4.1256 4.1531 4.2746 4.3082 4.3800 4.4239 4.7479 4.7807 6.9886 7.0196 k =-0.2303 0.5382 0.8019 ( 7433 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7238 -26.7238 -10.4031 -10.4029 -10.1546 -10.1544 -10.1058 -10.1056 -6.3498 -6.3485 -6.2659 -6.2651 0.4113 0.4426 1.2189 1.3500 1.6807 1.8640 1.9712 2.0631 2.3971 2.4482 2.9149 2.9458 3.7172 3.7454 4.1443 4.1749 4.2791 4.3151 4.4075 4.4593 4.7677 4.8011 6.9491 6.9795 k =-0.2374 0.5548 0.7839 ( 7435 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7238 -26.7238 -10.4030 -10.4029 -10.1545 -10.1543 -10.1054 -10.1052 -6.3532 -6.3520 -6.2691 -6.2683 0.4077 0.4367 1.2174 1.3467 1.6828 1.8599 1.9851 2.0771 2.3986 2.4448 2.9322 2.9570 3.7177 3.7448 4.1608 4.1943 4.2840 4.3209 4.4309 4.4909 4.7874 4.8198 6.9133 6.9426 k =-0.2445 0.5714 0.7658 ( 7434 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4030 -10.4028 -10.1544 -10.1542 -10.1050 -10.1049 -6.3560 -6.3548 -6.2718 -6.2710 0.4047 0.4316 1.2160 1.3438 1.6844 1.8563 1.9968 2.0890 2.3998 2.4421 2.9467 2.9662 3.7181 3.7443 4.1748 4.2105 4.2893 4.3255 4.4500 4.5176 4.8066 4.8360 6.8822 6.9099 k =-0.2516 0.5880 0.7478 ( 7438 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4029 -10.4027 -10.1543 -10.1542 -10.1047 -10.1046 -6.3583 -6.3571 -6.2739 -6.2731 0.4023 0.4276 1.2149 1.3414 1.6855 1.8534 2.0062 2.0987 2.4007 2.4401 2.9584 2.9733 3.7183 3.7439 4.1860 4.2228 4.2951 4.3288 4.4648 4.5387 4.8243 4.8488 6.8568 6.8824 k =-0.2587 0.6046 0.7298 ( 7430 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4029 -10.4027 -10.1543 -10.1541 -10.1045 -10.1044 -6.3599 -6.3588 -6.2754 -6.2746 0.4006 0.4246 1.2141 1.3396 1.6863 1.8513 2.0130 2.1057 2.4012 2.4387 2.9671 2.9783 3.7184 3.7436 4.1941 4.2310 4.3008 4.3308 4.4752 4.5539 4.8396 4.8573 6.8380 6.8615 k =-0.2658 0.6212 0.7117 ( 7432 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4028 -10.4027 -10.1543 -10.1541 -10.1044 -10.1043 -6.3609 -6.3597 -6.2763 -6.2755 0.3995 0.4228 1.2136 1.3385 1.6867 1.8500 2.0171 2.1100 2.4015 2.4379 2.9725 2.9810 3.7185 3.7433 4.1991 4.2357 4.3052 4.3317 4.4814 4.5629 4.8511 4.8610 6.8265 6.8483 k =-0.2729 0.6377 0.6937 ( 7434 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4028 -10.4027 -10.1542 -10.1541 -10.1043 -10.1043 -6.3612 -6.3601 -6.2766 -6.2758 0.3992 0.4222 1.2134 1.3382 1.6868 1.8496 2.0185 2.1115 2.4016 2.4376 2.9744 2.9819 3.7185 3.7432 4.2007 4.2371 4.3068 4.3319 4.4835 4.5659 4.8565 4.8608 6.8227 6.8438 k =-0.2729 0.6377 0.6937 ( 7434 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4028 -10.4027 -10.1542 -10.1541 -10.1043 -10.1043 -6.3612 -6.3601 -6.2766 -6.2758 0.3992 0.4222 1.2134 1.3382 1.6868 1.8496 2.0185 2.1115 2.4016 2.4376 2.9744 2.9819 3.7185 3.7432 4.2007 4.2371 4.3068 4.3319 4.4835 4.5659 4.8565 4.8608 6.8227 6.8438 k =-0.2659 0.6214 0.6759 ( 7430 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4031 -10.4030 -10.1546 -10.1544 -10.1042 -10.1042 -6.3646 -6.3634 -6.2685 -6.2675 0.3879 0.4141 1.2069 1.3343 1.6752 1.8340 2.0201 2.1098 2.4139 2.4505 2.9748 2.9811 3.7206 3.7372 4.1855 4.2234 4.3212 4.3461 4.4942 4.5769 4.8406 4.8416 6.8429 6.8659 k =-0.2589 0.6050 0.6581 ( 7428 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4033 -10.4032 -10.1548 -10.1546 -10.1041 -10.1041 -6.3695 -6.3683 -6.2604 -6.2593 0.3803 0.4100 1.2014 1.3328 1.6623 1.8191 2.0213 2.1079 2.4258 2.4626 2.9755 2.9806 3.7228 3.7308 4.1714 4.2114 4.3337 4.3582 4.5059 4.5893 4.8235 4.8267 6.8669 6.8916 k =-0.2519 0.5887 0.6403 ( 7434 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4033 -10.4032 -10.1549 -10.1548 -10.1040 -10.1040 -6.3758 -6.3746 -6.2526 -6.2513 0.3764 0.4099 1.1967 1.3337 1.6485 1.8050 2.0221 2.1059 2.4371 2.4738 2.9765 2.9803 3.7243 3.7251 4.1592 4.2015 4.3437 4.3674 4.5182 4.6028 4.8073 4.8154 6.8942 6.9203 k =-0.2449 0.5723 0.6225 ( 7434 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4033 -10.4032 -10.1548 -10.1547 -10.1040 -10.1040 -6.3834 -6.3822 -6.2450 -6.2436 0.3763 0.4139 1.1927 1.3371 1.6337 1.7921 2.0225 2.1039 2.4476 2.4840 2.9778 2.9803 3.7178 3.7273 4.1491 4.1940 4.3508 4.3730 4.5310 4.6172 4.7937 4.8073 6.9240 6.9510 k =-0.2379 0.5560 0.6047 ( 7432 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4032 -10.4031 -10.1547 -10.1546 -10.1040 -10.1040 -6.3920 -6.3908 -6.2378 -6.2363 0.3798 0.4219 1.1890 1.3428 1.6184 1.7810 2.0225 2.1020 2.4574 2.4930 2.9793 2.9806 3.7113 3.7295 4.1413 4.1889 4.3543 4.3746 4.5445 4.6320 4.7836 4.8031 6.9555 6.9831 k =-0.2309 0.5396 0.5870 ( 7436 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4029 -10.4029 -10.1544 -10.1543 -10.1041 -10.1041 -6.4017 -6.4006 -6.2311 -6.2295 0.3868 0.4339 1.1853 1.3505 1.6029 1.7720 2.0223 2.1002 2.4663 2.5009 2.9812 2.9813 3.7052 3.7315 4.1358 4.1859 4.3539 4.3715 4.5587 4.6467 4.7778 4.8031 6.9878 7.0153 k =-0.2239 0.5233 0.5692 ( 7442 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7240 -26.7240 -10.4026 -10.4026 -10.1540 -10.1540 -10.1043 -10.1043 -6.4124 -6.4113 -6.2250 -6.2233 0.3971 0.4497 1.1811 1.3597 1.5880 1.7657 2.0218 2.0986 2.4744 2.5075 2.9822 2.9833 3.6995 3.7334 4.1326 4.1851 4.3494 4.3638 4.5737 4.6611 4.7771 4.8073 7.0199 7.0466 k =-0.2169 0.5069 0.5514 ( 7442 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7240 -26.7240 -10.4022 -10.4021 -10.1535 -10.1535 -10.1045 -10.1045 -6.4239 -6.4229 -6.2194 -6.2176 0.4105 0.4692 1.1759 1.3696 1.5746 1.7627 2.0212 2.0972 2.4817 2.5130 2.9835 2.9856 3.6944 3.7352 4.1316 4.1861 4.3406 4.3517 4.5897 4.6749 4.7818 4.8153 7.0505 7.0756 k =-0.2099 0.4906 0.5336 ( 7440 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7240 -26.7240 -10.4016 -10.4016 -10.1528 -10.1528 -10.1047 -10.1047 -6.4363 -6.4353 -6.2144 -6.2126 0.4267 0.4923 1.1695 1.3791 1.5642 1.7633 2.0206 2.0963 2.4883 2.5173 2.9852 2.9882 3.6901 3.7370 4.1328 4.1888 4.3277 4.3356 4.6067 4.6883 4.7914 4.8267 7.0782 7.1010 k =-0.2029 0.4742 0.5158 ( 7444 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7241 -26.7241 -10.4011 -10.4010 -10.1521 -10.1521 -10.1050 -10.1050 -6.4494 -6.4485 -6.2100 -6.2081 0.4454 0.5186 1.1615 1.3864 1.5584 1.7681 2.0202 2.0958 2.4943 2.5207 2.9872 2.9911 3.6866 3.7388 4.1358 4.1929 4.3112 4.3162 4.6247 4.7015 4.8053 4.8409 7.1017 7.1214 k =-0.1959 0.4579 0.4980 ( 7442 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7242 -26.7242 -10.4004 -10.4003 -10.1513 -10.1512 -10.1053 -10.1053 -6.4631 -6.4623 -6.2062 -6.2042 0.4663 0.5478 1.1519 1.3901 1.5591 1.7770 2.0201 2.0960 2.4999 2.5230 2.9897 2.9943 3.6840 3.7407 4.1405 4.1982 4.2915 4.2946 4.6435 4.7150 4.8225 4.8573 7.1193 7.1355 k =-0.1889 0.4415 0.4802 ( 7438 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7242 -26.7242 -10.3996 -10.3996 -10.1503 -10.1502 -10.1056 -10.1056 -6.4774 -6.4766 -6.2030 -6.2010 0.4887 0.5796 1.1408 1.3894 1.5673 1.7899 2.0208 2.0969 2.5051 2.5246 2.9925 2.9977 3.6822 3.7427 4.1469 4.2038 4.2693 4.2718 4.6628 4.7292 4.8420 4.8755 7.1298 7.1422 k =-0.1819 0.4252 0.4624 ( 7426 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7243 -26.7243 -10.3988 -10.3987 -10.1492 -10.1491 -10.1060 -10.1060 -6.4922 -6.4915 -6.2003 -6.1983 0.5122 0.6134 1.1286 1.3851 1.5823 1.8063 2.0228 2.0987 2.5103 2.5256 2.9959 3.0015 3.6813 3.7448 4.1546 4.2068 4.2453 4.2514 4.6825 4.7440 4.8633 4.8949 7.1322 7.1409 k =-0.1749 0.4088 0.4447 ( 7430 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7244 -26.7244 -10.3980 -10.3979 -10.1481 -10.1479 -10.1064 -10.1064 -6.5073 -6.5067 -6.1982 -6.1961 0.5361 0.6484 1.1161 1.3790 1.6024 1.8253 2.0266 2.1015 2.5157 2.5261 2.9996 3.0057 3.6812 3.7471 4.1630 4.1981 4.2206 4.2431 4.7023 4.7593 4.8856 4.9153 7.1259 7.1313 k =-0.1679 0.3925 0.4269 ( 7430 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7245 -26.7245 -10.3971 -10.3970 -10.1468 -10.1467 -10.1069 -10.1068 -6.5228 -6.5222 -6.1966 -6.1945 0.5597 0.6835 1.1043 1.3731 1.6261 1.8455 2.0335 2.1057 2.5214 2.5264 3.0039 3.0102 3.6818 3.7494 4.1683 4.1758 4.1994 4.2489 4.7221 4.7749 4.9087 4.9364 7.1109 7.1137 k =-0.1609 0.3761 0.4091 ( 7430 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7246 -26.7246 -10.3962 -10.3960 -10.1454 -10.1453 -10.1073 -10.1073 -6.5385 -6.5380 -6.1955 -6.1934 0.5820 0.7171 1.0951 1.3690 1.6516 1.8651 2.0449 2.1113 2.5266 2.5279 3.0086 3.0150 3.6829 3.7519 4.1488 4.1551 4.1977 4.2606 4.7417 4.7908 4.9323 4.9578 7.0878 7.0888 k =-0.1539 0.3598 0.3913 ( 7434 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2859 -43.2859 -43.2008 -43.2008 -26.7247 -26.7247 -10.3952 -10.3951 -10.1440 -10.1438 -10.1078 -10.1078 -6.5543 -6.5538 -6.1948 -6.1928 0.6024 0.7471 1.0906 1.3682 1.6778 1.8821 2.0621 2.1187 2.5272 2.5355 3.0138 3.0202 3.6845 3.7542 4.1204 4.1294 4.2097 4.2752 4.7608 4.8066 4.9560 4.9794 7.0573 7.0575 k =-0.1469 0.3434 0.3735 ( 7436 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2859 -43.2859 -43.2008 -43.2008 -26.7248 -26.7248 -10.3942 -10.3941 -10.1425 -10.1423 -10.1083 -10.1083 -6.5701 -6.5697 -6.1946 -6.1926 0.6200 0.7706 1.0937 1.3715 1.7037 1.8951 2.0859 2.1278 2.5285 2.5446 3.0195 3.0258 3.6864 3.7564 4.0913 4.1014 4.2256 4.2921 4.7795 4.8224 4.9797 5.0010 7.0201 7.0208 k =-0.1399 0.3270 0.3557 ( 7438 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7249 -26.7249 -10.3933 -10.3931 -10.1409 -10.1407 -10.1088 -10.1088 -6.5859 -6.5855 -6.1947 -6.1927 0.6342 0.7852 1.1067 1.3798 1.7283 1.9039 2.1156 2.1387 2.5311 2.5557 3.0257 3.0318 3.6886 3.7584 4.0622 4.0728 4.2441 4.3114 4.7975 4.8379 5.0032 5.0223 6.9780 6.9789 k =-0.1329 0.3107 0.3379 ( 7446 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7250 -26.7250 -10.3923 -10.3921 -10.1393 -10.1391 -10.1093 -10.1093 -6.6015 -6.6012 -6.1952 -6.1933 0.6445 0.7901 1.1306 1.3935 1.7509 1.9091 2.1496 2.1512 2.5356 2.5694 3.0323 3.0381 3.6908 3.7601 4.0332 4.0442 4.2649 4.3329 4.8148 4.8530 5.0262 5.0433 6.9320 6.9327 k =-0.1259 0.2943 0.3202 ( 7448 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7251 -26.7251 -10.3914 -10.3912 -10.1376 -10.1374 -10.1099 -10.1099 -6.6169 -6.6166 -6.1960 -6.1941 0.6508 0.7864 1.1642 1.4126 1.7713 1.9117 2.1649 2.1858 2.5430 2.5861 3.0395 3.0448 3.6930 3.7614 4.0046 4.0158 4.2882 4.3568 4.8314 4.8678 5.0486 5.0637 6.8826 6.8831 k =-0.1190 0.2780 0.3024 ( 7447 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7252 -26.7252 -10.3904 -10.3902 -10.1359 -10.1357 -10.1104 -10.1104 -6.6320 -6.6318 -6.1971 -6.1952 0.6532 0.7762 1.2051 1.4367 1.7890 1.9124 2.1794 2.2216 2.5545 2.6064 3.0472 3.0518 3.6952 3.7622 3.9765 3.9879 4.3139 4.3831 4.8473 4.8822 5.0703 5.0833 6.8306 6.8307 k =-0.1120 0.2616 0.2846 ( 7449 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7253 -26.7253 -10.3895 -10.3893 -10.1341 -10.1340 -10.1109 -10.1109 -6.6467 -6.6465 -6.1983 -6.1965 0.6522 0.7618 1.2510 1.4652 1.8042 1.9121 2.1938 2.2547 2.5715 2.6304 3.0553 3.0592 3.6971 3.7625 3.9491 3.9605 4.3422 4.4121 4.8624 4.8961 5.0912 5.1022 6.7760 6.7763 k =-0.1050 0.2453 0.2668 ( 7455 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7254 -26.7254 -10.3886 -10.3885 -10.1324 -10.1322 -10.1114 -10.1114 -6.6609 -6.6607 -6.1997 -6.1980 0.6482 0.7448 1.2998 1.4971 1.8172 1.9109 2.2076 2.2832 2.5952 2.6582 3.0640 3.0669 3.6987 3.7622 3.9225 3.9338 4.3732 4.4437 4.8767 4.9096 5.1111 5.1201 6.7195 6.7200 k =-0.0980 0.2289 0.2490 ( 7455 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7255 -26.7255 -10.3878 -10.3876 -10.1307 -10.1305 -10.1119 -10.1119 -6.6746 -6.6744 -6.2013 -6.1996 0.6419 0.7265 1.3503 1.5316 1.8282 1.9094 2.2203 2.3058 2.6259 2.6897 3.0733 3.0750 3.7000 3.7613 3.8967 3.9080 4.4068 4.4780 4.8905 4.9228 5.1299 5.1369 6.6614 6.6622 k =-0.0910 0.2126 0.2312 ( 7469 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7256 -26.7256 -10.3870 -10.3868 -10.1290 -10.1288 -10.1124 -10.1124 -6.6876 -6.6875 -6.2029 -6.2013 0.6339 0.7076 1.4011 1.5673 1.8377 1.9077 2.2316 2.3224 2.6632 2.7244 3.0832 3.0835 3.7010 3.7597 3.8720 3.8831 4.4429 4.5149 4.9037 4.9357 5.1476 5.1527 6.6020 6.6028 k =-0.0840 0.1962 0.2134 ( 7459 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7257 -26.7257 -10.3863 -10.3861 -10.1273 -10.1272 -10.1129 -10.1129 -6.7000 -6.6999 -6.2046 -6.2031 0.6247 0.6887 1.4514 1.6034 1.8463 1.9061 2.2415 2.3337 2.7055 2.7613 3.0924 3.0938 3.7016 3.7574 3.8485 3.8592 4.4815 4.5542 4.9165 4.9485 5.1642 5.1672 6.5412 6.5420 k =-0.0770 0.1799 0.1957 ( 7459 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7257 -26.7257 -10.3856 -10.3854 -10.1258 -10.1256 -10.1133 -10.1133 -6.7116 -6.7115 -6.2063 -6.2049 0.6149 0.6704 1.5003 1.6385 1.8543 1.9047 2.2500 2.3408 2.7508 2.7996 3.1017 3.1051 3.7018 3.7546 3.8261 3.8365 4.5224 4.5957 4.9291 4.9613 5.1796 5.1806 6.4793 6.4800 k =-0.0700 0.1635 0.1779 ( 7449 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7258 -26.7258 -10.3849 -10.3848 -10.1242 -10.1241 -10.1138 -10.1137 -6.7224 -6.7223 -6.2079 -6.2066 0.6050 0.6528 1.5472 1.6716 1.8625 1.9036 2.2573 2.3448 2.7973 2.8380 3.1117 3.1174 3.7017 3.7511 3.8051 3.8151 4.5650 4.6387 4.9419 4.9744 5.1927 5.1938 6.4164 6.4167 k =-0.0630 0.1472 0.1601 ( 7457 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7259 -26.7259 -10.3844 -10.3842 -10.1228 -10.1227 -10.1141 -10.1141 -6.7323 -6.7322 -6.2095 -6.2083 0.5952 0.6362 1.5913 1.7014 1.8711 1.9032 2.2638 2.3466 2.8433 2.8753 3.1224 3.1306 3.7013 3.7470 3.7855 3.7949 4.6088 4.6826 4.9555 4.9881 5.2035 5.2069 6.3523 6.3524 k =-0.0560 0.1308 0.1423 ( 7457 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7260 -26.7260 -10.3838 -10.3837 -10.1215 -10.1214 -10.1145 -10.1145 -6.7413 -6.7413 -6.2110 -6.2100 0.5859 0.6208 1.6319 1.7272 1.8807 1.9035 2.2697 2.3466 2.8869 2.9105 3.1342 3.1450 3.7007 3.7424 3.7675 3.7762 4.6530 4.7259 4.9707 5.0027 5.2132 5.2188 6.2872 6.2878 k =-0.0490 0.1145 0.1245 ( 7459 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7260 -26.7260 -10.3834 -10.3833 -10.1203 -10.1202 -10.1148 -10.1148 -6.7494 -6.7493 -6.2124 -6.2115 0.5773 0.6068 1.6684 1.7481 1.8914 1.9049 2.2752 2.3454 2.9267 2.9423 3.1472 3.1603 3.6999 3.7374 3.7511 3.7590 4.6963 4.7668 4.9888 5.0189 5.2217 5.2297 6.2220 6.2229 k =-0.0420 0.0981 0.1067 ( 7469 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7261 -26.7261 -10.3830 -10.3829 -10.1192 -10.1191 -10.1151 -10.1151 -6.7565 -6.7564 -6.2136 -6.2128 0.5698 0.5943 1.7003 1.7642 1.9027 1.9074 2.2806 2.3431 2.9613 2.9701 3.1616 3.1765 3.6990 3.7320 3.7366 3.7436 4.7373 4.8028 5.0110 5.0372 5.2292 5.2396 6.1574 6.1587 k =-0.0350 0.0818 0.0889 ( 7471 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7261 -26.7261 -10.3826 -10.3825 -10.1183 -10.1182 -10.1153 -10.1153 -6.7625 -6.7625 -6.2147 -6.2140 0.5633 0.5832 1.7271 1.7759 1.9113 1.9138 2.2861 2.3401 2.9897 2.9932 3.1774 3.1927 3.6983 3.7239 3.7265 3.7301 4.7744 4.8318 5.0382 5.0578 5.2357 5.2486 6.0949 6.0964 k =-0.0280 0.0654 0.0711 ( 7461 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7262 -26.7262 -10.3823 -10.3823 -10.1175 -10.1175 -10.1155 -10.1155 -6.7675 -6.7674 -6.2156 -6.2151 0.5582 0.5738 1.7486 1.7838 1.9164 1.9236 2.2917 2.3363 3.0116 3.0118 3.1937 3.2080 3.6977 3.7136 3.7179 3.7215 4.8061 4.8528 5.0690 5.0804 5.2418 5.2566 6.0364 6.0380 k =-0.0210 0.0491 0.0534 ( 7465 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7262 -26.7262 -10.3821 -10.3820 -10.1169 -10.1169 -10.1157 -10.1157 -6.7714 -6.7714 -6.2163 -6.2159 0.5545 0.5660 1.7650 1.7888 1.9223 1.9313 2.2976 2.3318 3.0259 3.0273 3.2093 3.2212 3.6972 3.7058 3.7084 3.7161 4.8315 4.8662 5.0998 5.1033 5.2479 5.2633 5.9847 5.9861 k =-0.0140 0.0327 0.0356 ( 7445 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7262 -26.7262 -10.3819 -10.3819 -10.1165 -10.1164 -10.1158 -10.1158 -6.7742 -6.7742 -6.2168 -6.2165 0.5524 0.5599 1.7768 1.7913 1.9284 1.9362 2.3036 2.3269 3.0359 3.0376 3.2226 3.2310 3.6960 3.7009 3.7022 3.7114 4.8507 4.8734 5.1240 5.1256 5.2546 5.2682 5.9433 5.9443 k =-0.0070 0.0164 0.0178 ( 7461 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3818 -10.3818 -10.1162 -10.1162 -10.1159 -10.1158 -6.7758 -6.7758 -6.2171 -6.2169 0.5518 0.5555 1.7847 1.7915 1.9336 1.9381 2.3097 2.3215 3.0421 3.0431 3.2321 3.2364 3.6941 3.6962 3.7022 3.7073 4.8639 4.8751 5.1391 5.1416 5.2618 5.2700 5.9162 5.9167 k = 0.0000 0.0000 0.0000 ( 7457 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3818 -10.3818 -10.1161 -10.1161 -10.1158 -10.1158 -6.7764 -6.7764 -6.2171 -6.2171 0.5528 0.5528 1.7894 1.7894 1.9370 1.9370 2.3157 2.3157 3.0445 3.0445 3.2369 3.2369 3.6939 3.6939 3.7042 3.7042 4.8719 4.8719 5.1458 5.1458 5.2676 5.2676 5.9069 5.9069 k = 0.0000 0.0000 0.0000 ( 7457 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3818 -10.3818 -10.1161 -10.1161 -10.1158 -10.1158 -6.7764 -6.7764 -6.2171 -6.2171 0.5528 0.5528 1.7894 1.7894 1.9370 1.9370 2.3157 2.3157 3.0445 3.0445 3.2369 3.2369 3.6939 3.6939 3.7042 3.7042 4.8719 4.8719 5.1458 5.1458 5.2676 5.2676 5.9069 5.9069 k = 0.0227 0.0097 0.0000 ( 7449 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3818 -10.3818 -10.1161 -10.1161 -10.1159 -10.1159 -6.7758 -6.7758 -6.2178 -6.2178 0.5549 0.5549 1.7891 1.7891 1.9370 1.9371 2.3141 2.3141 3.0445 3.0445 3.2366 3.2366 3.6938 3.6939 3.7045 3.7046 4.8711 4.8711 5.1464 5.1464 5.2585 5.2585 5.9182 5.9182 k = 0.0455 0.0194 0.0000 ( 7441 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3818 -10.3818 -10.1161 -10.1161 -10.1159 -10.1159 -6.7742 -6.7742 -6.2200 -6.2200 0.5612 0.5612 1.7883 1.7883 1.9370 1.9371 2.3094 2.3094 3.0444 3.0444 3.2359 3.2359 3.6936 3.6938 3.7053 3.7055 4.8686 4.8686 5.1481 5.1481 5.2333 5.2334 5.9502 5.9502 k = 0.0682 0.0292 0.0000 ( 7457 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3818 -10.3818 -10.1161 -10.1161 -10.1159 -10.1159 -6.7714 -6.7714 -6.2236 -6.2236 0.5716 0.5716 1.7869 1.7869 1.9370 1.9371 2.3015 2.3015 3.0442 3.0442 3.2348 3.2348 3.6933 3.6937 3.7066 3.7070 4.8635 4.8635 5.1509 5.1509 5.1972 5.1972 5.9983 5.9983 k = 0.0909 0.0389 0.0000 ( 7474 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3818 -10.3818 -10.1161 -10.1161 -10.1160 -10.1160 -6.7675 -6.7675 -6.2285 -6.2285 0.5861 0.5861 1.7848 1.7848 1.9370 1.9371 2.2906 2.2906 3.0440 3.0440 3.2333 3.2333 3.6931 3.6934 3.7085 3.7089 4.8547 4.8547 5.1540 5.1540 5.1568 5.1568 6.0578 6.0578 k = 0.1136 0.0486 0.0000 ( 7462 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3819 -10.3819 -10.1161 -10.1161 -10.1160 -10.1160 -6.7625 -6.7625 -6.2348 -6.2348 0.6046 0.6046 1.7820 1.7820 1.9370 1.9371 2.2768 2.2768 3.0437 3.0437 3.2314 3.2314 3.6929 3.6933 3.7109 3.7113 4.8404 4.8404 5.1153 5.1153 5.1597 5.1597 6.1249 6.1249 k = 0.1364 0.0583 0.0000 ( 7470 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3819 -10.3819 -10.1162 -10.1162 -10.1161 -10.1161 -6.7565 -6.7565 -6.2424 -6.2424 0.6270 0.6270 1.7783 1.7784 1.9370 1.9371 2.2602 2.2603 3.0433 3.0433 3.2291 3.2291 3.6926 3.6930 3.7138 3.7142 4.8183 4.8183 5.0798 5.0798 5.1654 5.1654 6.1968 6.1968 k = 0.1591 0.0681 0.0000 ( 7466 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3819 -10.3819 -10.1162 -10.1162 -10.1161 -10.1161 -6.7494 -6.7494 -6.2512 -6.2512 0.6532 0.6532 1.7736 1.7737 1.9371 1.9372 2.2412 2.2412 3.0429 3.0429 3.2265 3.2265 3.6925 3.6929 3.7172 3.7176 4.7872 4.7872 5.0527 5.0527 5.1719 5.1719 6.2716 6.2716 k = 0.1818 0.0778 0.0000 ( 7474 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3819 -10.3819 -10.1162 -10.1162 -10.1161 -10.1161 -6.7415 -6.7415 -6.2611 -6.2611 0.6830 0.6830 1.7676 1.7677 1.9372 1.9373 2.2199 2.2199 3.0425 3.0425 3.2237 3.2237 3.6923 3.6927 3.7211 3.7215 4.7475 4.7475 5.0345 5.0345 5.1790 5.1790 6.3477 6.3477 k = 0.2045 0.0875 0.0000 ( 7466 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3820 -10.3820 -10.1163 -10.1163 -10.1161 -10.1161 -6.7326 -6.7326 -6.2720 -6.2720 0.7163 0.7163 1.7601 1.7602 1.9373 1.9375 2.1967 2.1967 3.0421 3.0421 3.2207 3.2207 3.6923 3.6926 3.7256 3.7259 4.7017 4.7017 5.0238 5.0238 5.1866 5.1866 6.4237 6.4237 k = 0.2273 0.0972 0.0000 ( 7466 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3820 -10.3820 -10.1164 -10.1164 -10.1161 -10.1161 -6.7228 -6.7228 -6.2839 -6.2839 0.7529 0.7529 1.7507 1.7508 1.9376 1.9377 2.1721 2.1721 3.0416 3.0416 3.2176 3.2176 3.6922 3.6925 3.7305 3.7309 4.6525 4.6525 5.0184 5.0184 5.1946 5.1946 6.4982 6.4982 k = 0.2500 0.1070 0.0000 ( 7450 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3820 -10.3820 -10.1165 -10.1165 -10.1161 -10.1161 -6.7123 -6.7123 -6.2966 -6.2966 0.7926 0.7926 1.7389 1.7390 1.9379 1.9380 2.1466 2.1467 3.0411 3.0412 3.2144 3.2144 3.6922 3.6924 3.7360 3.7363 4.6021 4.6021 5.0166 5.0166 5.2027 5.2027 6.5698 6.5698 k = 0.2727 0.1167 0.0000 ( 7446 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3821 -10.3821 -10.1166 -10.1166 -10.1161 -10.1161 -6.7012 -6.7012 -6.3099 -6.3099 0.8351 0.8351 1.7242 1.7243 1.9383 1.9385 2.1210 2.1211 3.0407 3.0407 3.2112 3.2113 3.6921 3.6924 3.7420 3.7423 4.5521 4.5521 5.0170 5.0170 5.2109 5.2109 6.6368 6.6368 k = 0.2955 0.1264 0.0000 ( 7438 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3821 -10.3821 -10.1166 -10.1166 -10.1161 -10.1161 -6.6895 -6.6895 -6.3237 -6.3237 0.8802 0.8802 1.7062 1.7062 1.9389 1.9391 2.0960 2.0961 3.0403 3.0403 3.2081 3.2081 3.6921 3.6923 3.7485 3.7487 4.5039 4.5039 5.0189 5.0189 5.2189 5.2189 6.6973 6.6973 k = 0.3182 0.1361 0.0000 ( 7434 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3821 -10.3821 -10.1167 -10.1167 -10.1161 -10.1161 -6.6774 -6.6774 -6.3378 -6.3378 0.9276 0.9276 1.6841 1.6842 1.9396 1.9398 2.0722 2.0723 3.0398 3.0399 3.2051 3.2051 3.6921 3.6923 3.7553 3.7555 4.4583 4.4583 5.0216 5.0216 5.2266 5.2266 6.7491 6.7491 k = 0.3409 0.1459 0.0000 ( 7446 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3822 -10.3822 -10.1168 -10.1168 -10.1161 -10.1161 -6.6651 -6.6651 -6.3520 -6.3520 0.9770 0.9770 1.6577 1.6578 1.9406 1.9408 2.0503 2.0505 3.0395 3.0395 3.2023 3.2023 3.6920 3.6922 3.7623 3.7624 4.4160 4.4160 5.0247 5.0247 5.2338 5.2338 6.7908 6.7908 k = 0.3636 0.1556 0.0000 ( 7430 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3822 -10.3822 -10.1169 -10.1169 -10.1161 -10.1161 -6.6528 -6.6528 -6.3660 -6.3660 1.0280 1.0280 1.6267 1.6268 1.9418 1.9420 2.0309 2.0311 3.0392 3.0392 3.1998 3.1998 3.6921 3.6922 3.7694 3.7696 4.3776 4.3776 5.0279 5.0279 5.2404 5.2404 6.8219 6.8219 k = 0.3864 0.1653 0.0000 ( 7422 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3822 -10.3822 -10.1169 -10.1169 -10.1161 -10.1161 -6.6409 -6.6409 -6.3794 -6.3794 1.0803 1.0803 1.5913 1.5913 1.9433 1.9435 2.0142 2.0143 3.0389 3.0389 3.1975 3.1975 3.6921 3.6922 3.7764 3.7765 4.3438 4.3438 5.0310 5.0310 5.2462 5.2462 6.8433 6.8433 k = 0.4091 0.1750 0.0000 ( 7414 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3822 -10.3822 -10.1170 -10.1170 -10.1161 -10.1161 -6.6298 -6.6298 -6.3918 -6.3918 1.1333 1.1333 1.5517 1.5518 1.9451 1.9453 2.0001 2.0003 3.0386 3.0386 3.1956 3.1956 3.6921 3.6922 3.7828 3.7829 4.3150 4.3150 5.0338 5.0338 5.2512 5.2512 6.8571 6.8571 k = 0.4318 0.1848 0.0000 ( 7434 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3823 -10.3823 -10.1170 -10.1170 -10.1161 -10.1161 -6.6200 -6.6200 -6.4026 -6.4026 1.1865 1.1865 1.5088 1.5088 1.9473 1.9475 1.9886 1.9888 3.0384 3.0385 3.1940 3.1940 3.6921 3.6922 3.7884 3.7884 4.2917 4.2918 5.0360 5.0360 5.2551 5.2551 6.8654 6.8654 k = 0.4545 0.1945 0.0000 ( 7426 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3823 -10.3823 -10.1171 -10.1171 -10.1161 -10.1161 -6.6122 -6.6122 -6.4112 -6.4112 1.2386 1.2386 1.4638 1.4638 1.9499 1.9501 1.9797 1.9799 3.0383 3.0383 3.1929 3.1929 3.6921 3.6922 3.7928 3.7928 4.2747 4.2747 5.0378 5.0378 5.2580 5.2580 6.8701 6.8701 k = 0.4773 0.2042 0.0000 ( 7426 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3823 -10.3823 -10.1171 -10.1171 -10.1161 -10.1161 -6.6072 -6.6072 -6.4167 -6.4167 1.2865 1.2865 1.4201 1.4201 1.9523 1.9525 1.9735 1.9737 3.0382 3.0382 3.1922 3.1922 3.6921 3.6922 3.7956 3.7956 4.2643 4.2643 5.0388 5.0388 5.2598 5.2598 6.8725 6.8725 k = 0.5000 0.2139 0.0000 ( 7422 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3823 -10.3823 -10.1171 -10.1171 -10.1161 -10.1161 -6.6054 -6.6054 -6.4186 -6.4186 1.3130 1.3130 1.3950 1.3950 1.9536 1.9536 1.9712 1.9712 3.0382 3.0382 3.1920 3.1920 3.6922 3.6922 3.7965 3.7965 4.2608 4.2608 5.0392 5.0392 5.2604 5.2604 6.8732 6.8732 k = 0.5000 0.2139 0.0000 ( 7422 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3823 -10.3823 -10.1171 -10.1171 -10.1161 -10.1161 -6.6054 -6.6054 -6.4186 -6.4186 1.3130 1.3130 1.3950 1.3950 1.9536 1.9536 1.9712 1.9712 3.0382 3.0382 3.1920 3.1920 3.6922 3.6922 3.7965 3.7965 4.2608 4.2608 5.0392 5.0392 5.2604 5.2604 6.8732 6.8732 k = 0.4929 0.2305 0.0180 ( 7422 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3823 -10.3823 -10.1171 -10.1171 -10.1162 -10.1162 -6.6049 -6.6049 -6.4184 -6.4183 1.3095 1.3159 1.3877 1.4018 1.9471 1.9577 1.9625 1.9800 3.0329 3.0399 3.1863 3.1921 3.6923 3.6944 3.7929 3.8010 4.2595 4.2627 5.0366 5.0384 5.2573 5.2592 6.8759 6.8821 k = 0.4858 0.2471 0.0361 ( 7410 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7262 -26.7262 -10.3824 -10.3824 -10.1172 -10.1171 -10.1164 -10.1163 -6.6036 -6.6036 -6.4176 -6.4174 1.3051 1.3181 1.3799 1.4084 1.9398 1.9479 1.9656 1.9876 3.0237 3.0374 3.1755 3.1869 3.6947 3.6989 3.7903 3.8062 4.2587 4.2652 5.0307 5.0343 5.2503 5.2541 6.8895 6.9021 k = 0.4787 0.2637 0.0541 ( 7412 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7262 -26.7262 -10.3826 -10.3825 -10.1174 -10.1173 -10.1165 -10.1164 -6.6014 -6.6013 -6.4163 -6.4159 1.2996 1.3193 1.3716 1.4149 1.9317 1.9343 1.9704 1.9941 3.0105 3.0301 3.1608 3.1773 3.6991 3.7056 3.7886 3.8118 4.2584 4.2681 5.0212 5.0265 5.2402 5.2457 6.9125 6.9316 k = 0.4716 0.2803 0.0722 ( 7412 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7262 -26.7262 -10.3828 -10.3827 -10.1179 -10.1178 -10.1164 -10.1164 -6.5982 -6.5982 -6.4143 -6.4138 1.2926 1.3187 1.3636 1.4214 1.9191 1.9230 1.9751 1.9998 2.9925 3.0166 3.1445 3.1646 3.7054 3.7145 3.7878 3.8175 4.2588 4.2715 5.0082 5.0150 5.2279 5.2351 6.9424 6.9679 k = 0.4645 0.2969 0.0902 ( 7428 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7261 -26.7261 -10.3831 -10.3830 -10.1187 -10.1185 -10.1162 -10.1162 -6.5942 -6.5942 -6.4119 -6.4113 1.2839 1.3146 1.3570 1.4280 1.9025 1.9138 1.9796 2.0049 2.9695 2.9955 3.1288 3.1502 3.7134 3.7252 3.7879 3.8231 4.2597 4.2753 4.9915 4.9997 5.2148 5.2233 6.9764 7.0076 k = 0.4574 0.3135 0.1082 ( 7428 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7261 -26.7261 -10.3834 -10.3833 -10.1196 -10.1194 -10.1160 -10.1160 -6.5894 -6.5893 -6.4089 -6.4082 1.2728 1.3050 1.3534 1.4349 1.8851 1.9046 1.9841 2.0096 2.9410 2.9663 3.1151 3.1354 3.7226 3.7379 3.7889 3.8282 4.2613 4.2796 4.9712 4.9806 5.2015 5.2114 7.0118 7.0471 k = 0.4503 0.3301 0.1263 ( 7440 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7260 -26.7260 -10.3839 -10.3837 -10.1207 -10.1205 -10.1157 -10.1157 -6.5837 -6.5837 -6.4055 -6.4047 1.2591 1.2898 1.3526 1.4421 1.8671 1.8956 1.9886 2.0141 2.9072 2.9300 3.1038 3.1212 3.7324 3.7522 3.7911 3.8327 4.2635 4.2843 4.9478 4.9581 5.1889 5.2000 7.0462 7.0838 k = 0.4432 0.3466 0.1443 ( 7444 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7260 -26.7260 -10.3843 -10.3841 -10.1219 -10.1217 -10.1153 -10.1153 -6.5773 -6.5772 -6.4016 -6.4007 1.2422 1.2696 1.3536 1.4494 1.8493 1.8875 1.9932 2.0185 2.8687 2.8881 3.0943 3.1078 3.7421 3.7680 3.7950 3.8365 4.2664 4.2894 4.9219 4.9329 5.1771 5.1894 7.0785 7.1160 k = 0.4361 0.3632 0.1624 ( 7444 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7259 -26.7259 -10.3848 -10.3847 -10.1232 -10.1230 -10.1150 -10.1149 -6.5700 -6.5699 -6.3974 -6.3963 1.2218 1.2451 1.3553 1.4569 1.8320 1.8805 1.9980 2.0228 2.8266 2.8425 3.0860 3.0955 3.7503 3.7852 3.8015 3.8393 4.2700 4.2948 4.8940 4.9056 5.1662 5.1796 7.1076 7.1436 k = 0.4290 0.3798 0.1804 ( 7430 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7258 -26.7258 -10.3854 -10.3852 -10.1247 -10.1244 -10.1145 -10.1145 -6.5621 -6.5619 -6.3927 -6.3916 1.1976 1.2166 1.3572 1.4644 1.8158 1.8750 2.0030 2.0272 2.7817 2.7946 3.0783 3.0841 3.7559 3.8036 3.8117 3.8412 4.2743 4.3006 4.8650 4.8771 5.1561 5.1705 7.1334 7.1667 k = 0.4219 0.3964 0.1985 ( 7438 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7257 -26.7257 -10.3861 -10.3858 -10.1262 -10.1260 -10.1141 -10.1141 -6.5534 -6.5533 -6.3878 -6.3865 1.1696 1.1844 1.3588 1.4716 1.8011 1.8714 2.0083 2.0315 2.7352 2.7457 3.0710 3.0736 3.7588 3.8230 3.8254 3.8423 4.2792 4.3066 4.8353 4.8479 5.1464 5.1617 7.1552 7.1853 k = 0.4148 0.4130 0.2165 ( 7442 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7256 -26.7256 -10.3868 -10.3865 -10.1278 -10.1276 -10.1136 -10.1136 -6.5441 -6.5439 -6.3826 -6.3813 1.1377 1.1488 1.3601 1.4783 1.7883 1.8699 2.0139 2.0358 2.6879 2.6967 3.0637 3.0641 3.7594 3.8391 3.8420 3.8468 4.2847 4.3127 4.8055 4.8187 5.1371 5.1533 7.1723 7.1987 k = 0.4077 0.4296 0.2345 ( 7440 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7255 -26.7255 -10.3875 -10.3872 -10.1295 -10.1292 -10.1131 -10.1131 -6.5341 -6.5340 -6.3772 -6.3758 1.1022 1.1101 1.3606 1.4842 1.7774 1.8704 2.0198 2.0399 2.6408 2.6485 3.0545 3.0573 3.7585 3.8395 3.8607 3.8668 4.2906 4.3189 4.7760 4.7899 5.1279 5.1448 7.1832 7.2058 k = 0.4006 0.4462 0.2526 ( 7450 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7254 -26.7254 -10.3883 -10.3880 -10.1312 -10.1309 -10.1126 -10.1125 -6.5237 -6.5235 -6.3717 -6.3702 1.0635 1.0688 1.3603 1.4890 1.7685 1.8730 2.0261 2.0439 2.5947 2.6020 3.0459 3.0508 3.7564 3.8375 3.8809 3.8892 4.2970 4.3250 4.7469 4.7617 5.1185 5.1362 7.1862 7.2045 k = 0.3935 0.4627 0.2706 ( 7446 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7253 -26.7253 -10.3891 -10.3888 -10.1329 -10.1326 -10.1120 -10.1120 -6.5127 -6.5125 -6.3661 -6.3646 1.0220 1.0253 1.3591 1.4923 1.7615 1.8774 2.0328 2.0474 2.5504 2.5578 3.0378 3.0444 3.7535 3.8344 3.9024 3.9126 4.3037 4.3309 4.7184 4.7346 5.1090 5.1272 7.1790 7.1929 k = 0.3864 0.4793 0.2887 ( 7456 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7252 -26.7252 -10.3900 -10.3897 -10.1347 -10.1344 -10.1115 -10.1114 -6.5013 -6.5010 -6.3605 -6.3589 0.9784 0.9802 1.3567 1.4939 1.7561 1.8834 2.0399 2.0502 2.5088 2.5166 3.0302 3.0382 3.7500 3.8305 3.9249 3.9367 4.3107 4.3365 4.6905 4.7084 5.0992 5.1178 7.1603 7.1700 k = 0.3793 0.4959 0.3067 ( 7450 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7251 -26.7251 -10.3909 -10.3906 -10.1364 -10.1361 -10.1109 -10.1109 -6.4895 -6.4892 -6.3550 -6.3533 0.9332 0.9340 1.3531 1.4934 1.7522 1.8907 2.0475 2.0521 2.4706 2.4789 3.0230 3.0323 3.7462 3.8261 3.9482 3.9615 4.3177 4.3416 4.6632 4.6834 5.0888 5.1079 7.1307 7.1367 k = 0.3722 0.5125 0.3247 ( 7436 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7250 -26.7250 -10.3918 -10.3915 -10.1381 -10.1378 -10.1103 -10.1103 -6.4774 -6.4771 -6.3495 -6.3478 0.8870 0.8874 1.3483 1.4908 1.7493 1.8990 2.0526 2.0554 2.4366 2.4451 3.0164 3.0267 3.7420 3.8211 3.9722 3.9867 4.3247 4.3459 4.6365 4.6597 5.0780 5.0972 7.0926 7.0959 k = 0.3652 0.5291 0.3428 ( 7440 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7249 -26.7249 -10.3928 -10.3925 -10.1398 -10.1395 -10.1098 -10.1097 -6.4652 -6.4648 -6.3443 -6.3425 0.8404 0.8407 1.3422 1.4858 1.7473 1.9078 2.0513 2.0637 2.4076 2.4156 3.0103 3.0214 3.7378 3.8157 3.9967 4.0124 4.3315 4.3492 4.6103 4.6373 5.0665 5.0858 7.0496 7.0513 k = 0.3581 0.5457 0.3608 ( 7444 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7248 -26.7248 -10.3938 -10.3935 -10.1415 -10.1412 -10.1092 -10.1092 -6.4527 -6.4524 -6.3392 -6.3375 0.7939 0.7946 1.3348 1.4786 1.7457 1.9169 2.0480 2.0721 2.3842 2.3908 3.0046 3.0163 3.7335 3.8101 4.0216 4.0384 4.3380 4.3513 4.5845 4.6165 5.0543 5.0736 7.0050 7.0060 k = 0.3510 0.5623 0.3789 ( 7442 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2859 -43.2859 -43.2008 -43.2008 -26.7247 -26.7247 -10.3947 -10.3944 -10.1430 -10.1427 -10.1086 -10.1086 -6.4403 -6.4399 -6.3344 -6.3327 0.7482 0.7496 1.3263 1.4693 1.7442 1.9257 2.0423 2.0804 2.3669 2.3707 2.9994 3.0116 3.7294 3.8044 4.0467 4.0645 4.3440 4.3516 4.5594 4.5974 5.0413 5.0604 6.9615 6.9625 k = 0.3439 0.5788 0.3969 ( 7450 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7246 -26.7246 -10.3957 -10.3954 -10.1446 -10.1443 -10.1081 -10.1081 -6.4279 -6.4276 -6.3299 -6.3282 0.7037 0.7059 1.3168 1.4581 1.7427 1.9336 2.0346 2.0884 2.3555 2.3558 2.9947 3.0072 3.7257 3.7986 4.0720 4.0907 4.3490 4.3499 4.5350 4.5804 5.0275 5.0463 6.9209 6.9226 k = 0.3368 0.5954 0.4149 ( 7468 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7245 -26.7245 -10.3966 -10.3964 -10.1460 -10.1457 -10.1076 -10.1076 -6.4158 -6.4154 -6.3256 -6.3239 0.6607 0.6642 1.3064 1.4454 1.7409 1.9399 2.0256 2.0956 2.3451 2.3504 2.9905 3.0031 3.7222 3.7928 4.0972 4.1169 4.3457 4.3526 4.5120 4.5659 5.0129 5.0312 6.8847 6.8876 k = 0.3297 0.6120 0.4330 ( 7472 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7244 -26.7244 -10.3976 -10.3973 -10.1473 -10.1471 -10.1071 -10.1071 -6.4041 -6.4037 -6.3216 -6.3200 0.6198 0.6246 1.2954 1.4316 1.7385 1.9434 2.0167 2.1018 2.3394 2.3502 2.9869 2.9994 3.7193 3.7871 4.1222 4.1428 4.3387 4.3541 4.4913 4.5544 4.9975 5.0151 6.8538 6.8581 k = 0.3226 0.6286 0.4510 ( 7474 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7244 -26.7244 -10.3984 -10.3982 -10.1486 -10.1483 -10.1066 -10.1066 -6.3930 -6.3927 -6.3176 -6.3162 0.5813 0.5877 1.2840 1.4172 1.7356 1.9427 2.0099 2.1068 2.3380 2.3543 2.9837 2.9960 3.7171 3.7816 4.1468 4.1684 4.3287 4.3522 4.4743 4.5460 4.9813 4.9980 6.8287 6.8347 k = 0.3155 0.6452 0.4691 ( 7462 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7243 -26.7243 -10.3993 -10.3990 -10.1497 -10.1495 -10.1062 -10.1061 -6.3828 -6.3826 -6.3136 -6.3124 0.5454 0.5536 1.2724 1.4028 1.7318 1.9368 2.0067 2.1105 2.3406 2.3618 2.9809 2.9930 3.7154 3.7762 4.1707 4.1932 4.3162 4.3458 4.4625 4.5409 4.9644 4.9801 6.8097 6.8177 k = 0.3084 0.6618 0.4871 ( 7474 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7242 -26.7242 -10.4001 -10.3998 -10.1508 -10.1505 -10.1058 -10.1057 -6.3739 -6.3739 -6.3093 -6.3084 0.5125 0.5226 1.2609 1.3887 1.7272 1.9263 2.0066 2.1128 2.3464 2.3718 2.9787 2.9903 3.7144 3.7709 4.1935 4.2171 4.3018 4.3346 4.4566 4.5389 4.9468 4.9613 6.7970 6.8072 k = 0.3013 0.6784 0.5052 ( 7470 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7241 -26.7241 -10.4008 -10.4006 -10.1517 -10.1515 -10.1054 -10.1054 -6.3670 -6.3667 -6.3043 -6.3037 0.4827 0.4951 1.2499 1.3754 1.7215 1.9128 2.0085 2.1141 2.3548 2.3836 2.9770 2.9880 3.7140 3.7656 4.2141 4.2391 4.2869 4.3204 4.4561 4.5398 4.9287 4.9419 6.7906 6.8029 k = 0.2942 0.6950 0.5232 ( 7454 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7241 -26.7241 -10.4014 -10.4012 -10.1525 -10.1523 -10.1051 -10.1050 -6.3622 -6.3617 -6.2985 -6.2982 0.4564 0.4711 1.2394 1.3634 1.7147 1.8977 2.0111 2.1144 2.3652 2.3966 2.9757 2.9860 3.7144 3.7603 4.2289 4.2568 4.2759 4.3073 4.4594 4.5432 4.9103 4.9218 6.7903 6.8049 k = 0.2871 0.7115 0.5412 ( 7446 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7240 -26.7240 -10.4020 -10.4018 -10.1532 -10.1530 -10.1048 -10.1047 -6.3597 -6.3589 -6.2918 -6.2916 0.4336 0.4509 1.2297 1.3530 1.7067 1.8818 2.0138 2.1139 2.3768 2.4102 2.9749 2.9843 3.7153 3.7548 4.2288 4.2617 4.2780 4.3049 4.4656 4.5488 4.8919 4.9015 6.7957 6.8126 k = 0.2800 0.7281 0.5593 ( 7442 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7240 -26.7240 -10.4025 -10.4023 -10.1538 -10.1536 -10.1045 -10.1045 -6.3594 -6.3585 -6.2845 -6.2840 0.4145 0.4345 1.2210 1.3445 1.6974 1.8657 2.0163 2.1129 2.3891 2.4240 2.9745 2.9830 3.7167 3.7492 4.2163 4.2515 4.2913 4.3166 4.4738 4.5564 4.8738 4.8810 6.8067 6.8257 k = 0.2729 0.7447 0.5773 ( 7434 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4028 -10.4027 -10.1542 -10.1541 -10.1043 -10.1043 -6.3612 -6.3601 -6.2766 -6.2758 0.3992 0.4222 1.2134 1.3382 1.6868 1.8496 2.0185 2.1115 2.4016 2.4376 2.9744 2.9819 3.7185 3.7432 4.2007 4.2371 4.3068 4.3319 4.4835 4.5659 4.8565 4.8608 6.8227 6.8438 k = 0.2729 0.7447 0.5773 ( 7434 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4028 -10.4027 -10.1542 -10.1541 -10.1043 -10.1043 -6.3612 -6.3601 -6.2766 -6.2758 0.3992 0.4222 1.2134 1.3382 1.6868 1.8496 2.0185 2.1115 2.4016 2.4376 2.9744 2.9819 3.7185 3.7432 4.2007 4.2371 4.3068 4.3319 4.4835 4.5659 4.8565 4.8608 6.8227 6.8438 k = 0.2501 0.7403 0.5822 ( 7442 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4029 -10.4028 -10.1543 -10.1542 -10.1043 -10.1043 -6.3622 -6.3611 -6.2741 -6.2733 0.3961 0.4197 1.2109 1.3345 1.6860 1.8455 2.0197 2.1110 2.4049 2.4408 2.9745 2.9816 3.7190 3.7415 4.1972 4.2339 4.3111 4.3362 4.4850 4.5672 4.8516 4.8551 6.8311 6.8526 k = 0.2274 0.7358 0.5870 ( 7435 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4030 -10.4028 -10.1544 -10.1543 -10.1042 -10.1042 -6.3638 -6.3627 -6.2712 -6.2704 0.3939 0.4175 1.2074 1.3264 1.6894 1.8418 2.0221 2.1103 2.4080 2.4432 2.9747 2.9814 3.7193 3.7398 4.1954 4.2319 4.3157 4.3408 4.4842 4.5656 4.8462 4.8490 6.8461 6.8678 k = 0.2047 0.7313 0.5919 ( 7437 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4031 -10.4029 -10.1545 -10.1544 -10.1042 -10.1042 -6.3656 -6.3646 -6.2680 -6.2672 0.3926 0.4158 1.2031 1.3146 1.6965 1.8387 2.0257 2.1095 2.4107 2.4447 2.9749 2.9811 3.7196 3.7379 4.1950 4.2311 4.3205 4.3456 4.4813 4.5611 4.8404 4.8425 6.8671 6.8887 k = 0.1819 0.7269 0.5967 ( 7431 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4031 -10.4030 -10.1546 -10.1545 -10.1042 -10.1041 -6.3676 -6.3667 -6.2648 -6.2641 0.3921 0.4144 1.1983 1.3003 1.7064 1.8361 2.0302 2.1085 2.4132 2.4453 2.9752 2.9809 3.7199 3.7361 4.1962 4.2314 4.3254 4.3504 4.4767 4.5542 4.8344 4.8360 6.8931 6.9144 k = 0.1592 0.7224 0.6016 ( 7430 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4032 -10.4031 -10.1546 -10.1545 -10.1041 -10.1041 -6.3696 -6.3687 -6.2617 -6.2610 0.3924 0.4132 1.1933 1.2843 1.7183 1.8338 2.0356 2.1072 2.4153 2.4452 2.9755 2.9807 3.7202 3.7343 4.1987 4.2325 4.3303 4.3550 4.4709 4.5451 4.8284 4.8295 6.9231 6.9436 k = 0.1364 0.7180 0.6064 ( 7428 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4032 -10.4031 -10.1547 -10.1546 -10.1041 -10.1041 -6.3714 -6.3707 -6.2588 -6.2582 0.3933 0.4122 1.1887 1.2677 1.7311 1.8314 2.0417 2.1056 2.4173 2.4442 2.9759 2.9804 3.7205 3.7325 4.2024 4.2342 4.3350 4.3591 4.4647 4.5343 4.8226 4.8233 6.9554 6.9748 k = 0.1137 0.7135 0.6113 ( 7422 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4032 -10.4032 -10.1547 -10.1546 -10.1041 -10.1041 -6.3731 -6.3725 -6.2562 -6.2557 0.3946 0.4112 1.1849 1.2513 1.7444 1.8287 2.0483 2.1035 2.4191 2.4426 2.9763 2.9801 3.7208 3.7308 4.2072 4.2360 4.3396 4.3624 4.4590 4.5223 4.8172 4.8177 6.9885 7.0062 k = 0.0910 0.7091 0.6161 ( 7416 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4033 -10.4032 -10.1548 -10.1547 -10.1040 -10.1040 -6.3745 -6.3741 -6.2540 -6.2536 0.3964 0.4102 1.1824 1.2357 1.7575 1.8253 2.0553 2.1007 2.4209 2.4405 2.9767 2.9798 3.7213 3.7292 4.2126 4.2376 4.3440 4.3645 4.4547 4.5098 4.8125 4.8128 7.0204 7.0359 k = 0.0682 0.7046 0.6209 ( 7422 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4033 -10.4032 -10.1548 -10.1547 -10.1040 -10.1040 -6.3757 -6.3753 -6.2523 -6.2520 0.3983 0.4090 1.1814 1.2216 1.7700 1.8210 2.0625 2.0973 2.4229 2.4380 2.9771 2.9795 3.7217 3.7276 4.2184 4.2385 4.3482 4.3651 4.4529 4.4972 4.8086 4.8088 7.0490 7.0615 k = 0.0455 0.7001 0.6258 ( 7414 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4033 -10.4033 -10.1548 -10.1548 -10.1040 -10.1040 -6.3765 -6.3763 -6.2510 -6.2508 0.4004 0.4077 1.1825 1.2093 1.7816 1.8157 2.0696 2.0932 2.4250 2.4353 2.9775 2.9791 3.7224 3.7263 4.2241 4.2383 4.3521 4.3642 4.4540 4.4852 4.8057 4.8058 7.0722 7.0811 k = 0.0227 0.6957 0.6306 ( 7419 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4033 -10.4033 -10.1548 -10.1548 -10.1040 -10.1040 -6.3770 -6.3769 -6.2502 -6.2501 0.4025 0.4062 1.1857 1.1991 1.7920 1.8091 2.0763 2.0883 2.4273 2.4325 2.9780 2.9788 3.7231 3.7251 4.2294 4.2367 4.3557 4.3621 4.4582 4.4743 4.8039 4.8040 7.0880 7.0927 k = 0.0000 0.6912 0.6355 ( 7420 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4033 -10.4033 -10.1548 -10.1548 -10.1040 -10.1040 -6.3771 -6.3771 -6.2499 -6.2499 0.4044 0.4044 1.1912 1.1912 1.8012 1.8012 2.0826 2.0826 2.4298 2.4298 2.9784 2.9784 3.7240 3.7240 4.2337 4.2337 4.3591 4.3591 4.4651 4.4651 4.8033 4.8033 7.0951 7.0951 k = 0.0000 0.6912 0.6355 ( 7420 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4033 -10.4033 -10.1548 -10.1548 -10.1040 -10.1040 -6.3771 -6.3771 -6.2499 -6.2499 0.4044 0.4044 1.1912 1.1912 1.8012 1.8012 2.0826 2.0826 2.4298 2.4298 2.9784 2.9784 3.7240 3.7240 4.2337 4.2337 4.3591 4.3591 4.4651 4.4651 4.8033 4.8033 7.0951 7.0951 k = 0.0071 0.6745 0.6536 ( 7422 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4033 -10.4033 -10.1548 -10.1548 -10.1041 -10.1040 -6.3768 -6.3767 -6.2496 -6.2495 0.4030 0.4066 1.1907 1.1926 1.7957 1.8063 2.0778 2.0850 2.4265 2.4335 2.9747 2.9794 3.7233 3.7249 4.2278 4.2379 4.3502 4.3642 4.4612 4.4648 4.7946 4.8069 7.0940 7.1060 k = 0.0143 0.6578 0.6718 ( 7428 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4033 -10.4033 -10.1549 -10.1548 -10.1042 -10.1041 -6.3759 -6.3757 -6.2487 -6.2485 0.4024 0.4096 1.1911 1.1949 1.7897 1.8109 2.0705 2.0852 2.4233 2.4376 2.9684 2.9779 3.7226 3.7259 4.2201 4.2404 4.3377 4.3655 4.4530 4.4601 4.7812 4.8051 7.1026 7.1262 k = 0.0214 0.6411 0.6900 ( 7420 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7239 -26.7239 -10.4034 -10.4033 -10.1549 -10.1549 -10.1044 -10.1043 -6.3744 -6.3741 -6.2472 -6.2469 0.4025 0.4134 1.1924 1.1981 1.7829 1.8153 2.0605 2.0834 2.4204 2.4421 2.9594 2.9740 3.7220 3.7270 4.2105 4.2412 4.3221 4.3631 4.4405 4.4512 4.7642 4.7983 7.1202 7.1546 k = 0.0286 0.6245 0.7081 ( 7414 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7238 -26.7238 -10.4034 -10.4034 -10.1550 -10.1549 -10.1047 -10.1046 -6.3723 -6.3718 -6.2450 -6.2447 0.4034 0.4179 1.1945 1.2022 1.7753 1.8194 2.0479 2.0799 2.4175 2.4472 2.9477 2.9680 3.7215 3.7282 4.1989 4.2395 4.3042 4.3573 4.4235 4.4383 4.7450 4.7871 7.1456 7.1896 k = 0.0357 0.6078 0.7263 ( 7428 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7238 -26.7238 -10.4035 -10.4034 -10.1551 -10.1550 -10.1051 -10.1049 -6.3695 -6.3689 -6.2423 -6.2418 0.4049 0.4231 1.1974 1.2071 1.7666 1.8232 2.0328 2.0750 2.4146 2.4528 2.9333 2.9599 3.7210 3.7295 4.1850 4.2342 4.2856 4.3485 4.4020 4.4218 4.7249 4.7725 7.1773 7.2295 k = 0.0429 0.5911 0.7444 ( 7434 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7237 -26.7237 -10.4036 -10.4035 -10.1552 -10.1551 -10.1055 -10.1053 -6.3662 -6.3655 -6.2390 -6.2384 0.4070 0.4289 1.2010 1.2126 1.7567 1.8267 2.0151 2.0691 2.4116 2.4592 2.9163 2.9500 3.7205 3.7308 4.1688 4.2228 4.2688 4.3370 4.3761 4.4028 4.7049 4.7553 7.2137 7.2724 k = 0.0500 0.5744 0.7626 ( 7438 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7237 -26.7237 -10.4037 -10.4036 -10.1554 -10.1553 -10.1060 -10.1058 -6.3624 -6.3615 -6.2351 -6.2344 0.4095 0.4352 1.2052 1.2188 1.7456 1.8299 1.9952 2.0625 2.4084 2.4662 2.8967 2.9387 3.7199 3.7322 4.1504 4.2038 4.2556 4.3225 4.3471 4.3827 4.6856 4.7362 7.2531 7.3170 k = 0.0571 0.5577 0.7807 ( 7436 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5094 -43.2859 -43.2859 -43.2008 -43.2008 -26.7236 -26.7236 -10.4038 -10.4037 -10.1556 -10.1555 -10.1065 -10.1063 -6.3580 -6.3571 -6.2306 -6.2299 0.4125 0.4419 1.2099 1.2254 1.7330 1.8326 1.9733 2.0555 2.4049 2.4739 2.8748 2.9262 3.7192 3.7336 4.1300 4.1788 4.2434 4.3015 4.3197 4.3633 4.6672 4.7158 7.2943 7.3618 k = 0.0643 0.5410 0.7989 ( 7444 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7235 -26.7235 -10.4040 -10.4039 -10.1558 -10.1557 -10.1070 -10.1068 -6.3531 -6.3521 -6.2256 -6.2248 0.4157 0.4489 1.2149 1.2324 1.7191 1.8346 1.9499 2.0485 2.4011 2.4823 2.8508 2.9130 3.7182 3.7350 4.1079 4.1506 4.2286 4.2697 4.3006 4.3457 4.6495 4.6943 7.3361 7.4059 k = 0.0714 0.5243 0.8171 ( 7434 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7235 -26.7235 -10.4041 -10.4040 -10.1560 -10.1559 -10.1076 -10.1073 -6.3478 -6.3467 -6.2202 -6.2193 0.4190 0.4559 1.2201 1.2394 1.7040 1.8359 1.9253 2.0416 2.3969 2.4914 2.8250 2.8993 3.7171 3.7363 4.0844 4.1209 4.2087 4.2337 4.2866 4.3304 4.6321 4.6719 7.3775 7.4487 k = 0.0786 0.5076 0.8352 ( 7430 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7234 -26.7234 -10.4043 -10.4042 -10.1563 -10.1562 -10.1081 -10.1079 -6.3421 -6.3409 -6.2143 -6.2133 0.4222 0.4628 1.2254 1.2463 1.6880 1.8357 1.9005 2.0349 2.3923 2.5012 2.7977 2.8857 3.7156 3.7375 4.0601 4.0906 4.1824 4.1984 4.2758 4.3168 4.6146 4.6485 7.4179 7.4896 k = 0.0857 0.4909 0.8534 ( 7440 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7233 -26.7233 -10.4045 -10.4044 -10.1567 -10.1566 -10.1087 -10.1084 -6.3360 -6.3347 -6.2079 -6.2068 0.4252 0.4694 1.2305 1.2527 1.6716 1.8328 1.8772 2.0285 2.3873 2.5117 2.7693 2.8726 3.7136 3.7384 4.0352 4.0604 4.1500 4.1664 4.2670 4.3045 4.5964 4.6240 7.4565 7.5281 k = 0.0929 0.4742 0.8715 ( 7442 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7232 -26.7232 -10.4047 -10.4046 -10.1571 -10.1570 -10.1092 -10.1089 -6.3297 -6.3283 -6.2012 -6.2000 0.4279 0.4755 1.2352 1.2584 1.6555 1.8237 1.8590 2.0222 2.3820 2.5228 2.7403 2.8604 3.7110 3.7391 4.0101 4.0309 4.1155 4.1365 4.2595 4.2931 4.5773 4.5985 7.4925 7.5635 k = 0.1000 0.4575 0.8897 ( 7438 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7231 -26.7231 -10.4050 -10.4048 -10.1575 -10.1574 -10.1097 -10.1094 -6.3231 -6.3216 -6.1941 -6.1928 0.4300 0.4808 1.2392 1.2630 1.6403 1.8058 1.8490 2.0160 2.3765 2.5345 2.7112 2.8494 3.7078 3.7393 3.9852 4.0027 4.0818 4.1076 4.2524 4.2822 4.5568 4.5716 7.5250 7.5950 k = 0.1071 0.4408 0.9078 ( 7438 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7230 -26.7230 -10.4052 -10.4051 -10.1580 -10.1579 -10.1102 -10.1099 -6.3163 -6.3148 -6.1867 -6.1854 0.4314 0.4851 1.2424 1.2661 1.6267 1.7837 1.8430 2.0096 2.3712 2.5467 2.6827 2.8398 3.7039 3.7391 3.9607 3.9762 4.0502 4.0797 4.2455 4.2716 4.5344 4.5437 7.5532 7.6215 k = 0.1143 0.4241 0.9260 ( 7444 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7229 -26.7229 -10.4055 -10.4054 -10.1586 -10.1585 -10.1106 -10.1103 -6.3094 -6.3078 -6.1791 -6.1777 0.4319 0.4882 1.2444 1.2674 1.6156 1.7612 1.8375 2.0029 2.3661 2.5592 2.6554 2.8320 3.6991 3.7383 3.9370 3.9516 4.0211 4.0532 4.2385 4.2612 4.5091 4.5154 7.5757 7.6416 k = 0.1214 0.4074 0.9442 ( 7438 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7228 -26.7228 -10.4058 -10.4057 -10.1591 -10.1590 -10.1110 -10.1107 -6.3024 -6.3007 -6.1714 -6.1698 0.4314 0.4897 1.2452 1.2670 1.6074 1.7399 1.8312 1.9957 2.3617 2.5713 2.6305 2.8260 3.6934 3.7367 3.9148 3.9290 3.9947 4.0283 4.2314 4.2510 4.4792 4.4881 7.5916 7.6542 k = 0.1286 0.3908 0.9623 ( 7438 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7227 -26.7227 -10.4062 -10.4060 -10.1597 -10.1596 -10.1113 -10.1110 -6.2953 -6.2936 -6.1634 -6.1618 0.4298 0.4896 1.2443 1.2649 1.6024 1.7204 1.8238 1.9878 2.3581 2.5795 2.6120 2.8218 3.6869 3.7344 3.8943 3.9084 3.9711 4.0052 4.2241 4.2408 4.4462 4.4603 7.6000 7.6582 k = 0.1357 0.3741 0.9805 ( 7444 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7226 -26.7226 -10.4065 -10.4064 -10.1604 -10.1603 -10.1116 -10.1113 -6.2883 -6.2865 -6.1555 -6.1537 0.4270 0.4876 1.2420 1.2615 1.6007 1.7031 1.8151 1.9794 2.3555 2.5725 2.6115 2.8194 3.6798 3.7313 3.8758 3.8897 3.9501 3.9842 4.2166 4.2307 4.4112 4.4309 7.6009 7.6540 k = 0.1429 0.3574 0.9986 ( 7446 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7225 -26.7225 -10.4069 -10.4067 -10.1610 -10.1609 -10.1118 -10.1115 -6.2814 -6.2796 -6.1475 -6.1457 0.4230 0.4837 1.2381 1.2570 1.6020 1.6882 1.8052 1.9705 2.3539 2.5565 2.6232 2.8186 3.6721 3.7276 3.8592 3.8731 3.9318 3.9654 4.2088 4.2207 4.3744 4.3997 7.5950 7.6430 k = 0.1500 0.3407 1.0168 ( 7446 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7224 -26.7224 -10.4072 -10.4071 -10.1617 -10.1616 -10.1120 -10.1117 -6.2747 -6.2728 -6.1396 -6.1377 0.4179 0.4779 1.2332 1.2518 1.6058 1.6757 1.7943 1.9612 2.3533 2.5413 2.6376 2.8194 3.6645 3.7234 3.8444 3.8582 3.9160 3.9487 4.2009 4.2107 4.3360 4.3670 7.5843 7.6273 k = 0.1571 0.3240 1.0349 ( 7446 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2861 -43.2861 -43.2008 -43.2008 -26.7223 -26.7223 -10.4076 -10.4075 -10.1623 -10.1623 -10.1121 -10.1119 -6.2681 -6.2662 -6.1319 -6.1299 0.4117 0.4702 1.2276 1.2462 1.6113 1.6655 1.7827 1.9516 2.3537 2.5286 2.6528 2.8215 3.6571 3.7192 3.8309 3.8449 3.9027 3.9343 4.1927 4.2008 4.2963 4.3328 7.5706 7.6094 k = 0.1643 0.3073 1.0531 ( 7444 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7222 -26.7222 -10.4080 -10.4078 -10.1630 -10.1629 -10.1122 -10.1120 -6.2618 -6.2598 -6.1243 -6.1223 0.4045 0.4609 1.2218 1.2402 1.6174 1.6579 1.7708 1.9421 2.3547 2.5188 2.6683 2.8247 3.6505 3.7154 3.8185 3.8328 3.8918 3.9220 4.1842 4.1908 4.2556 4.2976 7.5560 7.5913 k = 0.1714 0.2906 1.0713 ( 7448 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7221 -26.7221 -10.4083 -10.4082 -10.1636 -10.1636 -10.1122 -10.1120 -6.2557 -6.2538 -6.1171 -6.1150 0.3967 0.4501 1.2163 1.2341 1.6226 1.6536 1.7591 1.9329 2.3562 2.5119 2.6839 2.8289 3.6450 3.7124 3.8069 3.8217 3.8832 3.9117 4.1748 4.1804 4.2147 4.2621 7.5420 7.5743 k = 0.1786 0.2739 1.0894 ( 7440 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7220 -26.7220 -10.4087 -10.4086 -10.1642 -10.1642 -10.1122 -10.1121 -6.2501 -6.2481 -6.1102 -6.1080 0.3883 0.4383 1.2112 1.2280 1.6242 1.6544 1.7480 1.9242 2.3581 2.5078 2.6994 2.8338 3.6413 3.7108 3.7963 3.8113 3.8768 3.9032 4.1610 4.1652 4.1809 4.2278 7.5298 7.5596 k = 0.1857 0.2572 1.1076 ( 7442 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7220 -26.7220 -10.4090 -10.4089 -10.1648 -10.1648 -10.1122 -10.1121 -6.2448 -6.2428 -6.1037 -6.1015 0.3798 0.4258 1.2067 1.2220 1.6220 1.6597 1.7379 1.9161 2.3601 2.5059 2.7145 2.8393 3.6395 3.7109 3.7864 3.8017 3.8721 3.8961 4.1241 4.1472 4.1681 4.1982 7.5200 7.5476 k = 0.1929 0.2405 1.1257 ( 7448 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7219 -26.7219 -10.4094 -10.4093 -10.1654 -10.1653 -10.1122 -10.1121 -6.2400 -6.2379 -6.0977 -6.0955 0.3715 0.4130 1.2028 1.2164 1.6180 1.6667 1.7294 1.9089 2.3622 2.5060 2.7290 2.8450 3.6400 3.7129 3.7774 3.7928 3.8688 3.8902 4.0819 4.1210 4.1601 4.1778 7.5131 7.5387 k = 0.2000 0.2238 1.1439 ( 7456 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7218 -26.7218 -10.4097 -10.4096 -10.1658 -10.1658 -10.1122 -10.1121 -6.2356 -6.2335 -6.0922 -6.0900 0.3635 0.4004 1.1994 1.2111 1.6135 1.6732 1.7230 1.9025 2.3642 2.5075 2.7427 2.8509 3.6432 3.7171 3.7693 3.7848 3.8667 3.8854 4.0398 4.0878 4.1533 4.1653 7.5092 7.5328 k = 0.2071 0.2071 1.1620 ( 7458 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7218 -26.7218 -10.4099 -10.4099 -10.1663 -10.1662 -10.1122 -10.1121 -6.2317 -6.2296 -6.0874 -6.0851 0.3563 0.3882 1.1966 1.2063 1.6091 1.6779 1.7196 1.8971 2.3662 2.5098 2.7552 2.8567 3.6492 3.7235 3.7622 3.7779 3.8654 3.8814 3.9985 4.0519 4.1474 4.1566 7.5083 7.5299 k = 0.2143 0.1904 1.1802 ( 7456 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7217 -26.7217 -10.4102 -10.4101 -10.1667 -10.1666 -10.1121 -10.1120 -6.2284 -6.2263 -6.0832 -6.0809 0.3500 0.3768 1.1943 1.2021 1.6050 1.6799 1.7195 1.8926 2.3679 2.5126 2.7663 2.8621 3.6582 3.7318 3.7562 3.7723 3.8646 3.8780 3.9590 4.0158 4.1424 4.1499 7.5101 7.5296 k = 0.2214 0.1737 1.1984 ( 7460 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7217 -26.7217 -10.4104 -10.4103 -10.1670 -10.1669 -10.1121 -10.1120 -6.2257 -6.2235 -6.0797 -6.0774 0.3451 0.3666 1.1925 1.1985 1.6014 1.6796 1.7219 1.8889 2.3695 2.5155 2.7758 2.8669 3.6700 3.7407 3.7517 3.7688 3.8642 3.8751 3.9222 3.9807 4.1382 4.1446 7.5141 7.5312 k = 0.2286 0.1571 1.2165 ( 7454 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7217 -26.7217 -10.4105 -10.4105 -10.1672 -10.1672 -10.1120 -10.1120 -6.2235 -6.2214 -6.0769 -6.0746 0.3416 0.3578 1.1912 1.1955 1.5985 1.6783 1.7251 1.8861 2.3707 2.5180 2.7835 2.8709 3.6846 3.7440 3.7523 3.7692 3.8630 3.8726 3.8906 3.9476 4.1349 4.1406 7.5196 7.5342 k = 0.2357 0.1404 1.2347 ( 7462 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4106 -10.4106 -10.1674 -10.1674 -10.1120 -10.1120 -6.2219 -6.2198 -6.0749 -6.0726 0.3397 0.3506 1.1904 1.1932 1.5964 1.6768 1.7281 1.8841 2.3717 2.5200 2.7891 2.8739 3.7010 3.7412 3.7552 3.7738 3.8563 3.8695 3.8731 3.9176 4.1325 4.1377 7.5253 7.5374 k = 0.2429 0.1237 1.2528 ( 7466 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1675 -10.1675 -10.1120 -10.1120 -6.2210 -6.2189 -6.0737 -6.0714 0.3395 0.3452 1.1902 1.1916 1.5951 1.6758 1.7302 1.8829 2.3723 2.5213 2.7925 2.8757 3.7172 3.7373 3.7583 3.7740 3.8490 3.8640 3.8723 3.8935 4.1311 4.1360 7.5298 7.5398 k = 0.2500 0.1070 1.2710 ( 7476 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1676 -10.1675 -10.1120 -10.1120 -6.2207 -6.2185 -6.0733 -6.0710 0.3405 0.3424 1.1904 1.1908 1.5946 1.6755 1.7309 1.8825 2.3725 2.5218 2.7937 2.8764 3.7277 3.7324 3.7634 3.7679 3.8535 3.8570 3.8739 3.8824 4.1306 4.1354 7.5315 7.5407 k = 0.2500 0.1070 1.2710 ( 7476 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1676 -10.1675 -10.1120 -10.1120 -6.2207 -6.2185 -6.0733 -6.0710 0.3405 0.3424 1.1904 1.1908 1.5946 1.6755 1.7309 1.8825 2.3725 2.5218 2.7937 2.8764 3.7277 3.7324 3.7634 3.7679 3.8535 3.8570 3.8739 3.8824 4.1306 4.1354 7.5315 7.5407 k = 0.2708 0.1159 1.2613 ( 7462 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1675 -10.1675 -10.1120 -10.1120 -6.2207 -6.2186 -6.0733 -6.0710 0.3402 0.3430 1.1902 1.1911 1.5950 1.6751 1.7313 1.8818 2.3733 2.5211 2.7940 2.8760 3.7255 3.7327 3.7632 3.7695 3.8514 3.8594 3.8739 3.8841 4.1307 4.1354 7.5201 7.5288 k = 0.2917 0.1248 1.2516 ( 7468 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1675 -10.1675 -10.1120 -10.1120 -6.2208 -6.2187 -6.0735 -6.0713 0.3399 0.3441 1.1897 1.1919 1.5961 1.6739 1.7328 1.8795 2.3756 2.5193 2.7948 2.8747 3.7216 3.7310 3.7650 3.7715 3.8487 3.8621 3.8755 3.8879 4.1308 4.1355 7.4916 7.4993 k = 0.3125 0.1337 1.2419 ( 7472 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1675 -10.1675 -10.1120 -10.1120 -6.2209 -6.2189 -6.0738 -6.0717 0.3399 0.3456 1.1889 1.1931 1.5979 1.6720 1.7351 1.8760 2.3795 2.5163 2.7960 2.8725 3.7173 3.7277 3.7681 3.7728 3.8472 3.8637 3.8801 3.8927 4.1310 4.1355 7.4556 7.4623 k = 0.3333 0.1426 1.2322 ( 7472 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4106 -10.1675 -10.1674 -10.1120 -10.1120 -6.2210 -6.2192 -6.0743 -6.0723 0.3402 0.3473 1.1880 1.1947 1.6004 1.6694 1.7382 1.8715 2.3846 2.5121 2.7975 2.8694 3.7127 3.7239 3.7703 3.7737 3.8472 3.8648 3.8867 3.8983 4.1314 4.1357 7.4185 7.4244 k = 0.3542 0.1515 1.2225 ( 7476 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4106 -10.4106 -10.1674 -10.1674 -10.1120 -10.1120 -6.2212 -6.2194 -6.0750 -6.0731 0.3409 0.3494 1.1870 1.1966 1.6035 1.6662 1.7419 1.8663 2.3908 2.5070 2.7992 2.8652 3.7081 3.7204 3.7709 3.7742 3.8490 3.8661 3.8944 3.9047 4.1320 4.1361 7.3839 7.3890 k = 0.3750 0.1605 1.2128 ( 7467 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4106 -10.4106 -10.1674 -10.1673 -10.1120 -10.1120 -6.2213 -6.2197 -6.0758 -6.0742 0.3420 0.3517 1.1859 1.1988 1.6071 1.6625 1.7462 1.8607 2.3978 2.5011 2.8010 2.8600 3.7035 3.7175 3.7703 3.7739 3.8525 3.8680 3.9025 3.9118 4.1328 4.1368 7.3537 7.3580 k = 0.3958 0.1694 1.2031 ( 7463 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4106 -10.4105 -10.1673 -10.1673 -10.1120 -10.1120 -6.2214 -6.2200 -6.0769 -6.0755 0.3435 0.3543 1.1847 1.2013 1.6111 1.6586 1.7509 1.8552 2.4053 2.4945 2.8026 2.8538 3.6989 3.7150 3.7690 3.7726 3.8573 3.8703 3.9108 3.9194 4.1337 4.1380 7.3289 7.3325 k = 0.4167 0.1783 1.1934 ( 7458 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7217 -26.7217 -10.4105 -10.4105 -10.1672 -10.1672 -10.1121 -10.1120 -6.2214 -6.2203 -6.0782 -6.0770 0.3453 0.3573 1.1836 1.2039 1.6152 1.6545 1.7555 1.8501 2.4130 2.4874 2.8039 2.8467 3.6944 3.7131 3.7665 3.7712 3.8629 3.8732 3.9193 3.9274 4.1349 4.1397 7.3103 7.3132 k = 0.4375 0.1872 1.1837 ( 7457 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7217 -26.7217 -10.4105 -10.4104 -10.1671 -10.1671 -10.1121 -10.1120 -6.2215 -6.2206 -6.0796 -6.0787 0.3474 0.3606 1.1825 1.2067 1.6193 1.6507 1.7596 1.8462 2.4204 2.4803 2.8048 2.8389 3.6898 3.7118 3.7629 3.7704 3.8687 3.8767 3.9280 3.9354 4.1363 4.1421 7.2981 7.3004 k = 0.4583 0.1961 1.1740 ( 7459 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7217 -26.7217 -10.4104 -10.4103 -10.1670 -10.1670 -10.1121 -10.1120 -6.2216 -6.2209 -6.0813 -6.0807 0.3498 0.3643 1.1815 1.2096 1.6226 1.6478 1.7627 1.8439 2.4268 2.4736 2.8051 2.8307 3.6852 3.7108 3.7586 3.7702 3.8742 3.8812 3.9369 3.9433 4.1380 4.1451 7.2927 7.2944 k = 0.4792 0.2050 1.1643 ( 7462 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7217 -26.7217 -10.4103 -10.4103 -10.1669 -10.1669 -10.1121 -10.1120 -6.2218 -6.2212 -6.0831 -6.0828 0.3526 0.3683 1.1807 1.2125 1.6244 1.6465 1.7641 1.8441 2.4310 2.4686 2.8040 2.8229 3.6805 3.7102 3.7539 3.7706 3.8792 3.8868 3.9458 3.9509 4.1400 4.1487 7.2939 7.2953 k = 0.5000 0.2139 1.1546 ( 7464 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7217 -26.7217 -10.4103 -10.4102 -10.1668 -10.1668 -10.1121 -10.1120 -6.2221 -6.2215 -6.0850 -6.0850 0.3555 0.3726 1.1801 1.2153 1.6241 1.6477 1.7636 1.8468 2.4312 2.4670 2.8001 2.8171 3.6757 3.7098 3.7493 3.7716 3.8836 3.8934 3.9547 3.9583 4.1423 4.1529 7.3018 7.3030 k = 0.5000 0.2139 1.1546 ( 7464 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7217 -26.7217 -10.4103 -10.4102 -10.1668 -10.1668 -10.1121 -10.1120 -6.2221 -6.2215 -6.0850 -6.0850 0.3555 0.3726 1.1801 1.2153 1.6241 1.6477 1.7636 1.8468 2.4312 2.4670 2.8001 2.8171 3.6757 3.7098 3.7493 3.7716 3.8836 3.8934 3.9547 3.9583 4.1423 4.1529 7.3018 7.3030 k = 0.5000 0.2139 1.1290 ( 7468 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7218 -26.7218 -10.4100 -10.4099 -10.1664 -10.1664 -10.1122 -10.1121 -6.2233 -6.2225 -6.0912 -6.0912 0.3646 0.3855 1.1790 1.2229 1.6198 1.6544 1.7609 1.8574 2.4253 2.4681 2.7835 2.8050 3.6634 3.7073 3.7401 3.7752 3.8970 3.9122 3.9766 3.9781 4.1505 4.1670 7.3339 7.3354 k = 0.5000 0.2139 1.1033 ( 7460 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7218 -26.7218 -10.4097 -10.4096 -10.1660 -10.1660 -10.1123 -10.1121 -6.2247 -6.2238 -6.0986 -6.0985 0.3757 0.4006 1.1782 1.2313 1.6140 1.6626 1.7607 1.8678 2.4195 2.4684 2.7646 2.7910 3.6523 3.7013 3.7377 3.7798 3.9139 3.9314 3.9916 4.0012 4.1617 4.1854 7.3715 7.3732 k = 0.5000 0.2139 1.0777 ( 7456 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7219 -26.7219 -10.4094 -10.4093 -10.1655 -10.1655 -10.1123 -10.1122 -6.2263 -6.2252 -6.1070 -6.1070 0.3889 0.4178 1.1775 1.2403 1.6067 1.6724 1.7630 1.8780 2.4138 2.4681 2.7437 2.7757 3.6426 3.6928 3.7415 3.7853 3.9337 3.9507 4.0031 4.0229 4.1769 4.2083 7.4140 7.4159 k = 0.5000 0.2139 1.0520 ( 7450 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7219 -26.7219 -10.4091 -10.4089 -10.1649 -10.1649 -10.1124 -10.1123 -6.2281 -6.2270 -6.1166 -6.1165 0.4041 0.4370 1.1769 1.2499 1.5981 1.6839 1.7678 1.8879 2.4085 2.4671 2.7212 2.7596 3.6345 3.6841 3.7491 3.7919 3.9558 3.9697 4.0114 4.0424 4.1966 4.2351 7.4605 7.4626 k = 0.5000 0.2139 1.0263 ( 7450 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7220 -26.7220 -10.4086 -10.4085 -10.1642 -10.1642 -10.1125 -10.1124 -6.2303 -6.2290 -6.1271 -6.1270 0.4212 0.4582 1.1764 1.2601 1.5886 1.6972 1.7746 1.8975 2.4036 2.4652 2.6974 2.7432 3.6280 3.6761 3.7596 3.7997 3.9797 3.9879 4.0171 4.0597 4.2207 4.2650 7.5102 7.5124 k = 0.5000 0.2139 1.0007 ( 7446 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7221 -26.7221 -10.4082 -10.4080 -10.1635 -10.1635 -10.1126 -10.1124 -6.2326 -6.2312 -6.1385 -6.1384 0.4401 0.4813 1.1758 1.2706 1.5785 1.7123 1.7833 1.9067 2.3991 2.4622 2.6728 2.7274 3.6229 3.6693 3.7724 3.8088 4.0045 4.0049 4.0211 4.0759 4.2487 4.2972 7.5616 7.5640 k = 0.5000 0.2139 0.9750 ( 7432 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2861 -43.2861 -43.2008 -43.2008 -26.7222 -26.7222 -10.4077 -10.4075 -10.1627 -10.1627 -10.1128 -10.1125 -6.2353 -6.2338 -6.1508 -6.1508 0.4608 0.5063 1.1751 1.2813 1.5683 1.7294 1.7934 1.9156 2.3951 2.4580 2.6479 2.7127 3.6194 3.6637 3.7873 3.8193 4.0187 4.0207 4.0341 4.0923 4.2799 4.3312 7.6131 7.6155 k = 0.5000 0.2139 0.9494 ( 7440 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2861 -43.2861 -43.2008 -43.2008 -26.7223 -26.7223 -10.4071 -10.4069 -10.1618 -10.1618 -10.1129 -10.1126 -6.2382 -6.2366 -6.1639 -6.1639 0.4832 0.5331 1.1743 1.2920 1.5584 1.7482 1.8047 1.9240 2.3913 2.4525 2.6232 2.6997 3.6171 3.6594 3.8042 3.8312 4.0221 4.0298 4.0612 4.1100 4.3131 4.3663 7.6625 7.6647 k = 0.5000 0.2139 0.9237 ( 7446 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7224 -26.7224 -10.4065 -10.4063 -10.1608 -10.1608 -10.1130 -10.1128 -6.2414 -6.2397 -6.1778 -6.1777 0.5072 0.5616 1.1734 1.3026 1.5491 1.7690 1.8169 1.9321 2.3875 2.4456 2.5996 2.6892 3.6159 3.6562 3.8229 3.8445 4.0219 4.0378 4.0899 4.1294 4.3479 4.4021 7.7071 7.7091 k = 0.5000 0.2139 0.8980 ( 7450 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2008 -26.7225 -26.7225 -10.4059 -10.4057 -10.1598 -10.1598 -10.1132 -10.1129 -6.2449 -6.2431 -6.1923 -6.1922 0.5327 0.5917 1.1724 1.3127 1.5409 1.7915 1.8296 1.9397 2.3831 2.4374 2.5778 2.6814 3.6159 3.6541 3.8435 3.8591 4.0208 4.0432 4.1192 4.1502 4.3836 4.4383 7.7442 7.7454 k = 0.5000 0.2139 0.8724 ( 7446 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2007 -26.7226 -26.7226 -10.4052 -10.4050 -10.1587 -10.1587 -10.1133 -10.1130 -6.2487 -6.2468 -6.2074 -6.2073 0.5597 0.6234 1.1715 1.3221 1.5341 1.8158 1.8427 1.9469 2.3776 2.4282 2.5589 2.6765 3.6167 3.6529 3.8658 3.8751 4.0190 4.0465 4.1490 4.1721 4.4199 4.4747 7.7711 7.7712 k = 0.5000 0.2139 0.8467 ( 7442 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2007 -26.7228 -26.7228 -10.4045 -10.4043 -10.1576 -10.1576 -10.1135 -10.1132 -6.2528 -6.2509 -6.2230 -6.2229 0.5880 0.6565 1.1706 1.3305 1.5290 1.8417 1.8557 1.9538 2.3700 2.4187 2.5441 2.6746 3.6185 3.6527 3.8898 3.8924 4.0166 4.0483 4.1791 4.1946 4.4564 4.5110 7.7852 7.7864 k = 0.5000 0.2139 0.8211 ( 7434 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2007 -26.7229 -26.7229 -10.4038 -10.4035 -10.1563 -10.1563 -10.1136 -10.1133 -6.2572 -6.2552 -6.2390 -6.2389 0.6175 0.6909 1.1697 1.3377 1.5260 1.8682 1.8689 1.9602 2.3599 2.4094 2.5341 2.6755 3.6209 3.6532 3.9109 3.9153 4.0137 4.0489 4.2092 4.2172 4.4929 4.5471 7.7878 7.7906 k = 0.5000 0.2139 0.7954 ( 7442 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2008 -43.2007 -26.7230 -26.7230 -10.4030 -10.4027 -10.1551 -10.1550 -10.1138 -10.1135 -6.2620 -6.2598 -6.2552 -6.2552 0.6481 0.7265 1.1691 1.3435 1.5251 1.8800 1.8973 1.9662 2.3471 2.4012 2.5294 2.6790 3.6240 3.6544 3.9304 3.9422 4.0103 4.0485 4.2393 4.2397 4.5292 4.5828 7.7813 7.7855 k = 0.5000 0.2139 0.7698 ( 7442 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2009 -43.2007 -26.7232 -26.7232 -10.4022 -10.4019 -10.1537 -10.1537 -10.1140 -10.1136 -6.2722 -6.2719 -6.2666 -6.2647 0.6797 0.7632 1.1687 1.3480 1.5264 1.8904 1.9264 1.9720 2.3324 2.3950 2.5298 2.6847 3.6276 3.6562 3.9507 3.9704 4.0066 4.0472 4.2620 4.2691 4.5652 4.6180 7.7685 7.7740 k = 0.5000 0.2139 0.7441 ( 7440 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2009 -43.2007 -26.7233 -26.7233 -10.4014 -10.4011 -10.1523 -10.1523 -10.1141 -10.1138 -6.2889 -6.2887 -6.2719 -6.2699 0.7121 0.8008 1.1686 1.3512 1.5299 1.8992 1.9548 1.9785 2.3168 2.3915 2.5346 2.6925 3.6317 3.6585 3.9716 3.9998 4.0028 4.0453 4.2838 4.2988 4.6007 4.6526 7.7526 7.7591 k = 0.5000 0.2139 0.7184 ( 7436 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2860 -43.2009 -43.2007 -26.7234 -26.7234 -10.4005 -10.4002 -10.1509 -10.1508 -10.1143 -10.1139 -6.3058 -6.3057 -6.2775 -6.2754 0.7453 0.8391 1.1689 1.3534 1.5350 1.9060 1.9752 1.9924 2.3019 2.3915 2.5430 2.7021 3.6362 3.6613 3.9894 4.0024 4.0296 4.0433 4.3051 4.3280 4.6357 4.6865 7.7358 7.7433 k = 0.5000 0.2139 0.6928 ( 7430 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2860 -43.2859 -43.2009 -43.2007 -26.7236 -26.7236 -10.3996 -10.3993 -10.1494 -10.1493 -10.1145 -10.1141 -6.3228 -6.3227 -6.2832 -6.2811 0.7791 0.8779 1.1696 1.3551 1.5417 1.9105 1.9823 2.0177 2.2892 2.3954 2.5546 2.7133 3.6410 3.6644 3.9899 4.0194 4.0383 4.0624 4.3258 4.3568 4.6700 4.7196 7.7203 7.7285 k = 0.5000 0.2139 0.6671 ( 7426 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2859 -43.2859 -43.2009 -43.2007 -26.7237 -26.7237 -10.3987 -10.3984 -10.1478 -10.1478 -10.1147 -10.1143 -6.3398 -6.3396 -6.2892 -6.2871 0.8133 0.9171 1.1708 1.3565 1.5493 1.9128 1.9865 2.0424 2.2811 2.4035 2.5686 2.7259 3.6461 3.6679 3.9849 4.0346 4.0417 4.0938 4.3462 4.3852 4.7035 4.7518 7.7075 7.7161 k = 0.5000 0.2139 0.6415 ( 7426 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2859 -43.2859 -43.2009 -43.2007 -26.7239 -26.7239 -10.3978 -10.3975 -10.1462 -10.1462 -10.1149 -10.1145 -6.3567 -6.3565 -6.2954 -6.2933 0.8477 0.9563 1.1726 1.3580 1.5577 1.9129 1.9897 2.0624 2.2800 2.4159 2.5848 2.7399 3.6514 3.6715 3.9790 4.0301 4.0646 4.1254 4.3662 4.4132 4.7361 4.7832 7.6984 7.7072 k = 0.5000 0.2139 0.6158 ( 7422 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2859 -43.2859 -43.2009 -43.2007 -26.7240 -26.7240 -10.3969 -10.3966 -10.1446 -10.1446 -10.1150 -10.1146 -6.3734 -6.3732 -6.3018 -6.2997 0.8823 0.9953 1.1749 1.3599 1.5664 1.9113 1.9922 2.0752 2.2882 2.4325 2.6029 2.7550 3.6569 3.6753 3.9726 4.0249 4.0874 4.1565 4.3865 4.4410 4.7679 4.8135 7.6938 7.7026 k = 0.5000 0.2139 0.5901 ( 7420 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5094 -43.2859 -43.2859 -43.2009 -43.2007 -26.7242 -26.7242 -10.3960 -10.3956 -10.1430 -10.1429 -10.1152 -10.1148 -6.3899 -6.3898 -6.3084 -6.3063 0.9168 1.0337 1.1778 1.3625 1.5754 1.9083 1.9940 2.0804 2.3064 2.4528 2.6226 2.7713 3.6625 3.6793 3.9656 4.0191 4.1097 4.1865 4.4075 4.4686 4.7987 4.8429 7.6941 7.7025 k = 0.5000 0.2139 0.5645 ( 7416 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2859 -43.2859 -43.2009 -43.2007 -26.7243 -26.7243 -10.3950 -10.3947 -10.1413 -10.1412 -10.1154 -10.1150 -6.4061 -6.4060 -6.3150 -6.3130 0.9511 1.0710 1.1812 1.3660 1.5844 1.9044 1.9951 2.0795 2.3333 2.4766 2.6438 2.7885 3.6681 3.6833 3.9582 4.0128 4.1312 4.2143 4.4298 4.4962 4.8284 4.8712 7.6994 7.7070 k = 0.5000 0.2139 0.5388 ( 7420 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2859 -43.2859 -43.2009 -43.2007 -26.7245 -26.7245 -10.3941 -10.3938 -10.1396 -10.1396 -10.1155 -10.1151 -6.4220 -6.4219 -6.3218 -6.3198 0.9849 1.1068 1.1853 1.3706 1.5935 1.9002 1.9955 2.0747 2.3663 2.5034 2.6664 2.8067 3.6738 3.6873 3.9502 4.0058 4.1515 4.2391 4.4544 4.5240 4.8572 4.8985 7.7098 7.7160 k = 0.5000 0.2139 0.5132 ( 7408 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2859 -43.2859 -43.2008 -43.2007 -26.7246 -26.7246 -10.3932 -10.3929 -10.1379 -10.1379 -10.1157 -10.1153 -6.4375 -6.4374 -6.3287 -6.3267 1.0182 1.1404 1.1899 1.3766 1.6028 1.8961 1.9950 2.0683 2.4037 2.5328 2.6901 2.8257 3.6795 3.6913 3.9418 3.9982 4.1705 4.2602 4.4819 4.5523 4.8849 4.9247 7.7246 7.7286 k = 0.5000 0.2139 0.4875 ( 7408 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2859 -43.2859 -43.2008 -43.2007 -26.7247 -26.7247 -10.3923 -10.3920 -10.1362 -10.1362 -10.1159 -10.1154 -6.4525 -6.4524 -6.3356 -6.3336 1.0506 1.1714 1.1950 1.3839 1.6125 1.8923 1.9936 2.0614 2.4439 2.5643 2.7148 2.8453 3.6852 3.6952 3.9328 3.9900 4.1877 4.2771 4.5125 4.5812 4.9116 4.9499 7.7428 7.7434 k = 0.5000 0.2139 0.4619 ( 7412 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2007 -26.7249 -26.7249 -10.3914 -10.3911 -10.1346 -10.1345 -10.1160 -10.1156 -6.4671 -6.4669 -6.3424 -6.3405 1.0820 1.1991 1.2007 1.3926 1.6229 1.8894 1.9915 2.0550 2.4859 2.5976 2.7405 2.8657 3.6908 3.6990 3.9233 3.9811 4.2029 4.2899 4.5462 4.6108 4.9373 4.9741 7.7577 7.7624 k = 0.5000 0.2139 0.4362 ( 7414 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2007 -26.7250 -26.7250 -10.3905 -10.3902 -10.1329 -10.1329 -10.1161 -10.1157 -6.4811 -6.4809 -6.3492 -6.3474 1.1122 1.2068 1.2231 1.4023 1.6345 1.8874 1.9889 2.0494 2.5291 2.6322 2.7671 2.8865 3.6962 3.7025 3.9133 3.9717 4.2162 4.2989 4.5826 4.6413 4.9619 4.9973 7.7664 7.7793 k = 0.5000 0.2139 0.4105 ( 7416 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2007 -26.7251 -26.7251 -10.3897 -10.3894 -10.1313 -10.1312 -10.1163 -10.1159 -6.4945 -6.4944 -6.3559 -6.3542 1.1410 1.2134 1.2433 1.4123 1.6479 1.8864 1.9859 2.0446 2.5729 2.6679 2.7944 2.9078 3.7015 3.7057 3.9028 3.9616 4.2274 4.3046 4.6211 4.6726 4.9855 5.0195 7.7610 7.7854 k = 0.5000 0.2139 0.3849 ( 7422 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2007 -26.7253 -26.7253 -10.3889 -10.3886 -10.1297 -10.1297 -10.1164 -10.1160 -6.5073 -6.5072 -6.3625 -6.3608 1.1683 1.2204 1.2600 1.4219 1.6635 1.8865 1.9830 2.0404 2.6170 2.7041 2.8224 2.9295 3.7066 3.7087 3.8918 3.9510 4.2365 4.3076 4.6610 4.7047 5.0082 5.0408 7.7321 7.7690 k = 0.5000 0.2139 0.3592 ( 7424 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2007 -26.7254 -26.7254 -10.3881 -10.3878 -10.1282 -10.1281 -10.1165 -10.1161 -6.5194 -6.5193 -6.3689 -6.3673 1.1936 1.2279 1.2736 1.4302 1.6815 1.8877 1.9804 2.0367 2.6608 2.7407 2.8509 2.9514 3.7113 3.7115 3.8804 3.9397 4.2438 4.3085 4.7017 4.7372 5.0300 5.0613 7.6775 7.7226 k = 0.5000 0.2139 0.3336 ( 7428 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7255 -26.7255 -10.3873 -10.3871 -10.1267 -10.1266 -10.1166 -10.1163 -6.5309 -6.5307 -6.3751 -6.3736 1.2165 1.2364 1.2845 1.4365 1.7020 1.8899 1.9783 2.0333 2.7040 2.7772 2.8799 2.9735 3.7135 3.7161 3.8685 3.9279 4.2493 4.3075 4.7426 4.7701 5.0511 5.0810 7.6044 7.6524 k = 0.5000 0.2139 0.3079 ( 7420 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7256 -26.7256 -10.3866 -10.3864 -10.1253 -10.1252 -10.1167 -10.1164 -6.5416 -6.5415 -6.3810 -6.3796 1.2345 1.2482 1.2934 1.4406 1.7245 1.8930 1.9767 2.0301 2.7462 2.8132 2.9093 2.9956 3.7152 3.7203 3.8563 3.9156 4.2533 4.3053 4.7830 4.8029 5.0716 5.1001 7.5220 7.5697 k = 0.5000 0.2139 0.2822 ( 7426 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7257 -26.7257 -10.3860 -10.3858 -10.1239 -10.1239 -10.1168 -10.1165 -6.5515 -6.5514 -6.3866 -6.3853 1.2456 1.2650 1.3007 1.4427 1.7486 1.8968 1.9757 2.0269 2.7868 2.8481 2.9391 3.0178 3.7163 3.7239 3.8439 3.9030 4.2560 4.3021 4.8223 4.8352 5.0915 5.1186 7.4364 7.4826 k = 0.5000 0.2139 0.2566 ( 7434 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7258 -26.7258 -10.3854 -10.3852 -10.1227 -10.1226 -10.1168 -10.1165 -6.5607 -6.5606 -6.3919 -6.3907 1.2541 1.2827 1.3065 1.4428 1.7734 1.9013 1.9752 2.0236 2.8254 2.8816 2.9691 3.0399 3.7167 3.7269 3.8315 3.8901 4.2577 4.2981 4.8598 4.8666 5.1112 5.1366 7.3514 7.3954 k = 0.5000 0.2139 0.2309 ( 7438 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7259 -26.7259 -10.3848 -10.3846 -10.1215 -10.1215 -10.1169 -10.1166 -6.5690 -6.5690 -6.3968 -6.3957 1.2618 1.2993 1.3112 1.4414 1.7985 1.9063 1.9750 2.0202 2.8615 2.9131 2.9992 3.0619 3.7163 3.7288 3.8196 3.8772 4.2585 4.2937 4.8949 4.8966 5.1308 5.1542 7.2693 7.3108 k = 0.5000 0.2139 0.2053 ( 7422 PWs) bands (ev): -74.8907 -74.8907 -44.5094 -44.5093 -43.2858 -43.2858 -43.2008 -43.2008 -26.7260 -26.7260 -10.3843 -10.3841 -10.1204 -10.1204 -10.1170 -10.1167 -6.5766 -6.5765 -6.4012 -6.4002 1.2692 1.3145 1.3148 1.4387 1.8231 1.9118 1.9748 2.0167 2.8948 2.9419 3.0292 3.0837 3.7151 3.7295 3.8088 3.8646 4.2588 4.2892 4.9246 4.9268 5.1504 5.1715 7.1919 7.2306 k = 0.5000 0.2139 0.1796 ( 7422 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7260 -26.7260 -10.3838 -10.3837 -10.1195 -10.1194 -10.1170 -10.1168 -6.5833 -6.5832 -6.4052 -6.4044 1.2762 1.3174 1.3282 1.4351 1.8468 1.9176 1.9745 2.0130 2.9250 2.9675 3.0587 3.1051 3.7130 3.7283 3.7997 3.8524 4.2588 4.2845 4.9501 4.9550 5.1699 5.1884 7.1205 7.1560 k = 0.5000 0.2139 0.1540 ( 7414 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7261 -26.7261 -10.3834 -10.3833 -10.1186 -10.1186 -10.1170 -10.1168 -6.5891 -6.5891 -6.4088 -6.4080 1.2829 1.3192 1.3406 1.4307 1.8692 1.9236 1.9738 2.0090 2.9518 2.9895 3.0872 3.1258 3.7100 3.7248 3.7931 3.8409 4.2585 4.2800 4.9728 4.9792 5.1890 5.2046 7.0562 7.0881 k = 0.5000 0.2139 0.1283 ( 7414 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7261 -26.7261 -10.3831 -10.3830 -10.1179 -10.1179 -10.1170 -10.1169 -6.5941 -6.5940 -6.4118 -6.4112 1.2892 1.3201 1.3519 1.4257 1.8899 1.9299 1.9724 2.0047 2.9751 3.0076 3.1139 3.1451 3.7062 3.7192 3.7893 3.8305 4.2582 4.2757 4.9924 4.9991 5.2074 5.2199 7.0001 7.0279 k = 0.5000 0.2139 0.1026 ( 7398 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7262 -26.7262 -10.3828 -10.3827 -10.1174 -10.1173 -10.1170 -10.1168 -6.5981 -6.5981 -6.4143 -6.4138 1.2951 1.3203 1.3620 1.4203 1.9086 1.9364 1.9703 1.9998 2.9949 3.0217 3.1379 3.1624 3.7020 3.7123 3.7879 3.8213 4.2581 4.2718 5.0086 5.0148 5.2242 5.2337 6.9532 6.9763 k = 0.5000 0.2139 0.0770 ( 7410 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7262 -26.7262 -10.3826 -10.3825 -10.1171 -10.1171 -10.1167 -10.1167 -6.6013 -6.6013 -6.4162 -6.4158 1.3004 1.3196 1.3713 1.4145 1.9247 1.9435 1.9673 1.9943 3.0111 3.0317 3.1586 3.1766 3.6978 3.7051 3.7883 3.8134 4.2581 4.2683 5.0213 5.0264 5.2386 5.2453 6.9164 6.9344 k = 0.5000 0.2139 0.0513 ( 7418 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7262 -26.7262 -10.3824 -10.3824 -10.1171 -10.1171 -10.1164 -10.1164 -6.6036 -6.6036 -6.4176 -6.4174 1.3052 1.3181 1.3798 1.4084 1.9376 1.9517 1.9636 1.9878 3.0238 3.0377 3.1749 3.1868 3.6943 3.6989 3.7901 3.8067 4.2586 4.2652 5.0306 5.0342 5.2499 5.2540 6.8905 6.9028 k = 0.5000 0.2139 0.0257 ( 7416 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3823 -10.3823 -10.1171 -10.1171 -10.1162 -10.1162 -6.6049 -6.6049 -6.4184 -6.4183 1.3095 1.3159 1.3876 1.4019 1.9468 1.9590 1.9614 1.9801 3.0328 3.0399 3.1862 3.1921 3.6922 3.6944 3.7929 3.8011 4.2595 4.2628 5.0366 5.0384 5.2572 5.2592 6.8760 6.8822 k = 0.5000 0.2139 0.0000 ( 7422 PWs) bands (ev): -74.8907 -74.8907 -44.5093 -44.5093 -43.2857 -43.2857 -43.2008 -43.2008 -26.7263 -26.7263 -10.3823 -10.3823 -10.1171 -10.1171 -10.1161 -10.1161 -6.6054 -6.6054 -6.4186 -6.4186 1.3130 1.3130 1.3950 1.3950 1.9536 1.9536 1.9712 1.9712 3.0382 3.0382 3.1920 3.1920 3.6922 3.6922 3.7965 3.7965 4.2608 4.2608 5.0392 5.0392 5.2604 5.2604 6.8732 6.8732 k = 0.0000 0.0000 1.2710 ( 7462 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1675 -10.1675 -10.1120 -10.1120 -6.2197 -6.2197 -6.0721 -6.0721 0.3414 0.3414 1.1906 1.1906 1.6323 1.6323 1.7985 1.7985 2.4546 2.4546 2.8398 2.8398 3.7146 3.7146 3.7843 3.7843 3.8561 3.8561 3.8820 3.8820 4.1293 4.1293 7.2344 7.2344 k = 0.0227 0.0097 1.2710 ( 7464 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1675 -10.1675 -10.1120 -10.1120 -6.2198 -6.2195 -6.0722 -6.0719 0.3412 0.3415 1.1906 1.1907 1.6267 1.6379 1.7883 1.8091 2.4442 2.4646 2.8339 2.8454 3.7146 3.7151 3.7836 3.7844 3.8558 3.8563 3.8812 3.8825 4.1291 4.1297 7.2377 7.2384 k = 0.0455 0.0194 1.2710 ( 7474 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1675 -10.1675 -10.1120 -10.1120 -6.2200 -6.2193 -6.0724 -6.0718 0.3411 0.3416 1.1906 1.1907 1.6214 1.6436 1.7786 1.8198 2.4337 2.4743 2.8280 2.8508 3.7150 3.7161 3.7823 3.7839 3.8555 3.8565 3.8804 3.8828 4.1289 4.1303 7.2483 7.2497 k = 0.0682 0.0292 1.2710 ( 7456 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1675 -10.1675 -10.1120 -10.1120 -6.2201 -6.2192 -6.0726 -6.0716 0.3410 0.3418 1.1905 1.1907 1.6163 1.6491 1.7695 1.8304 2.4233 2.4833 2.8221 2.8559 3.7159 3.7175 3.7806 3.7829 3.8552 3.8568 3.8795 3.8831 4.1290 4.1309 7.2661 7.2682 k = 0.0909 0.0389 1.2710 ( 7460 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1675 -10.1675 -10.1120 -10.1120 -6.2202 -6.2191 -6.0727 -6.0715 0.3409 0.3419 1.1905 1.1907 1.6115 1.6544 1.7612 1.8407 2.4132 2.4917 2.8164 2.8604 3.7171 3.7192 3.7784 3.7814 3.8548 3.8569 3.8785 3.8832 4.1291 4.1317 7.2907 7.2935 k = 0.1136 0.0486 1.2710 ( 7468 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1675 -10.1675 -10.1120 -10.1120 -6.2203 -6.2189 -6.0729 -6.0713 0.3408 0.3420 1.1905 1.1907 1.6073 1.6593 1.7536 1.8505 2.4037 2.4992 2.8110 2.8645 3.7187 3.7213 3.7758 3.7793 3.8544 3.8569 3.8775 3.8831 4.1294 4.1325 7.3216 7.3252 k = 0.1364 0.0583 1.2710 ( 7460 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1675 -10.1675 -10.1120 -10.1120 -6.2204 -6.2188 -6.0730 -6.0712 0.3407 0.3421 1.1905 1.1908 1.6036 1.6638 1.7470 1.8594 2.3950 2.5059 2.8061 2.8681 3.7206 3.7237 3.7731 3.7770 3.8542 3.8569 3.8766 3.8830 4.1297 4.1333 7.3582 7.3625 k = 0.1591 0.0681 1.2710 ( 7468 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1675 -10.1675 -10.1120 -10.1120 -6.2205 -6.2187 -6.0731 -6.0711 0.3406 0.3422 1.1904 1.1908 1.6004 1.6677 1.7414 1.8673 2.3873 2.5114 2.8019 2.8710 3.7225 3.7261 3.7703 3.7745 3.8539 3.8569 3.8757 3.8829 4.1300 4.1340 7.3992 7.4043 k = 0.1818 0.0778 1.2710 ( 7474 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1675 -10.1675 -10.1120 -10.1120 -6.2206 -6.2187 -6.0732 -6.0711 0.3406 0.3423 1.1904 1.1908 1.5979 1.6710 1.7369 1.8737 2.3810 2.5159 2.7984 2.8733 3.7245 3.7285 3.7676 3.7720 3.8537 3.8569 3.8750 3.8827 4.1302 4.1346 7.4426 7.4488 k = 0.2045 0.0875 1.2710 ( 7466 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1675 -10.1675 -10.1120 -10.1120 -6.2207 -6.2186 -6.0732 -6.0710 0.3405 0.3424 1.1904 1.1908 1.5961 1.6734 1.7336 1.8786 2.3763 2.5191 2.7958 2.8750 3.7262 3.7306 3.7654 3.7699 3.8536 3.8569 3.8744 3.8826 4.1305 4.1351 7.4847 7.4920 k = 0.2273 0.0972 1.2710 ( 7462 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1675 -10.1675 -10.1120 -10.1120 -6.2207 -6.2186 -6.0733 -6.0710 0.3405 0.3424 1.1904 1.1908 1.5950 1.6749 1.7316 1.8815 2.3734 2.5211 2.7942 2.8760 3.7274 3.7320 3.7639 3.7684 3.8535 3.8570 3.8740 3.8825 4.1306 4.1353 7.5181 7.5266 k = 0.2500 0.1070 1.2710 ( 7476 PWs) bands (ev): -74.8907 -74.8907 -44.5095 -44.5095 -43.2861 -43.2861 -43.2008 -43.2008 -26.7216 -26.7216 -10.4107 -10.4107 -10.1676 -10.1675 -10.1120 -10.1120 -6.2207 -6.2185 -6.0733 -6.0710 0.3405 0.3424 1.1904 1.1908 1.5946 1.6755 1.7309 1.8825 2.3725 2.5218 2.7937 2.8764 3.7277 3.7324 3.7634 3.7679 3.8535 3.8570 3.8739 3.8824 4.1306 4.1354 7.5315 7.5407 Writing output data file KMnTe2.save init_run : 5.35s CPU 11.23s WALL ( 1 calls) electrons : 1290.78s CPU 1301.20s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.93s CPU 1.99s WALL ( 1 calls) Called by electrons: c_bands : 1290.77s CPU 1300.84s WALL ( 1 calls) v_of_rho : 0.47s CPU 1.25s WALL ( 1 calls) v_h : 0.04s CPU 0.04s WALL ( 1 calls) v_xc : 0.42s CPU 0.78s WALL ( 1 calls) newd : 0.69s CPU 1.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.10s WALL ( 306 calls) cegterg : 1207.22s CPU 1214.49s WALL ( 726 calls) Called by sum_band: Called by *egterg: h_psi : 1018.41s CPU 1029.82s WALL ( 12375 calls) s_psi : 18.26s CPU 18.65s WALL ( 12375 calls) g_psi : 0.90s CPU 0.92s WALL ( 11343 calls) cdiaghg : 139.93s CPU 137.05s WALL ( 11649 calls) cegterg:over : 46.60s CPU 44.67s WALL ( 11343 calls) cegterg:upda : 11.74s CPU 15.17s WALL ( 11343 calls) cegterg:last : 11.25s CPU 12.03s WALL ( 1941 calls) Called by h_psi: h_psi:vloc : 972.68s CPU 982.68s WALL ( 12375 calls) h_psi:vnl : 45.21s CPU 46.04s WALL ( 12375 calls) add_vuspsi : 14.43s CPU 16.97s WALL ( 12375 calls) General routines calbec : 30.72s CPU 28.97s WALL ( 12375 calls) fft : 0.55s CPU 1.40s WALL ( 19 calls) ffts : 0.02s CPU 0.06s WALL ( 4 calls) fftw : 597.16s CPU 596.22s WALL ( 968476 calls) interpolate : 0.07s CPU 0.11s WALL ( 4 calls) davcio : 0.02s CPU 1.55s WALL ( 612 calls) Parallel routines fft_scatter : 263.06s CPU 273.52s WALL ( 968499 calls) PWSCF : 22m33.44s CPU 24m55.20s WALL This run was terminated on: 17:11:38 19Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=