Program PWSCF v.5.1.1 starts on 8Oct2015 at 19:52:24 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: ./KNO2.save/ 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 34 20 5 1016 442 68 Max 35 21 6 1023 457 73 Sum 1665 979 283 48927 21643 3421 bravais-lattice index = 14 lattice parameter (alat) = 8.3628 a.u. unit-cell volume = 497.0713 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.362769 celldm(2)= 1.000000 celldm(3)= 1.005562 celldm(4)= 0.346825 celldm(5)= 0.346825 celldm(6)= 0.364276 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.364276 0.931291 0.000000 ) a(3) = ( 0.348754 0.238069 0.912605 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.391152 -0.280113 ) b(2) = ( 0.000000 1.073778 -0.280113 ) b(3) = ( 0.000000 0.000000 1.095764 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 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 N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) K 9.00 39.09830 K( 1.00) N 5.00 14.00670 N( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 352 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0104167 0.0071107 -0.0058357), wk = 0.0028409 k( 3) = ( 0.0208333 0.0142214 -0.0116714), wk = 0.0028409 k( 4) = ( 0.0312500 0.0213321 -0.0175071), wk = 0.0028409 k( 5) = ( 0.0416667 0.0284428 -0.0233428), wk = 0.0028409 k( 6) = ( 0.0520833 0.0355535 -0.0291785), wk = 0.0028409 k( 7) = ( 0.0625000 0.0426642 -0.0350142), wk = 0.0028409 k( 8) = ( 0.0729167 0.0497749 -0.0408499), wk = 0.0028409 k( 9) = ( 0.0833333 0.0568855 -0.0466856), wk = 0.0028409 k( 10) = ( 0.0937500 0.0639962 -0.0525212), wk = 0.0028409 k( 11) = ( 0.1041667 0.0711069 -0.0583569), wk = 0.0028409 k( 12) = ( 0.1145833 0.0782176 -0.0641926), wk = 0.0028409 k( 13) = ( 0.1250000 0.0853283 -0.0700283), wk = 0.0028409 k( 14) = ( 0.1354167 0.0924390 -0.0758640), wk = 0.0028409 k( 15) = ( 0.1458333 0.0995497 -0.0816997), wk = 0.0028409 k( 16) = ( 0.1562500 0.1066604 -0.0875354), wk = 0.0028409 k( 17) = ( 0.1666667 0.1137711 -0.0933711), wk = 0.0028409 k( 18) = ( 0.1770833 0.1208818 -0.0992068), wk = 0.0028409 k( 19) = ( 0.1875000 0.1279925 -0.1050425), wk = 0.0028409 k( 20) = ( 0.1979167 0.1351032 -0.1108782), wk = 0.0028409 k( 21) = ( 0.2083333 0.1422139 -0.1167139), wk = 0.0028409 k( 22) = ( 0.2187500 0.1493246 -0.1225496), wk = 0.0028409 k( 23) = ( 0.2291667 0.1564353 -0.1283853), wk = 0.0028409 k( 24) = ( 0.2395833 0.1635459 -0.1342210), wk = 0.0028409 k( 25) = ( 0.2500000 0.1706566 -0.1400567), wk = 0.0028409 k( 26) = ( 0.2604167 0.1777673 -0.1458924), wk = 0.0028409 k( 27) = ( 0.2708333 0.1848780 -0.1517280), wk = 0.0028409 k( 28) = ( 0.2812500 0.1919887 -0.1575637), wk = 0.0028409 k( 29) = ( 0.2916667 0.1990994 -0.1633994), wk = 0.0028409 k( 30) = ( 0.3020833 0.2062101 -0.1692351), wk = 0.0028409 k( 31) = ( 0.3125000 0.2133208 -0.1750708), wk = 0.0028409 k( 32) = ( 0.3229167 0.2204315 -0.1809065), wk = 0.0028409 k( 33) = ( 0.3333333 0.2275422 -0.1867422), wk = 0.0028409 k( 34) = ( 0.3437500 0.2346529 -0.1925779), wk = 0.0028409 k( 35) = ( 0.3541667 0.2417636 -0.1984136), wk = 0.0028409 k( 36) = ( 0.3645833 0.2488743 -0.2042493), wk = 0.0028409 k( 37) = ( 0.3750000 0.2559850 -0.2100850), wk = 0.0028409 k( 38) = ( 0.3854167 0.2630956 -0.2159207), wk = 0.0028409 k( 39) = ( 0.3958333 0.2702063 -0.2217564), wk = 0.0028409 k( 40) = ( 0.4062500 0.2773170 -0.2275921), wk = 0.0028409 k( 41) = ( 0.4166667 0.2844277 -0.2334278), wk = 0.0028409 k( 42) = ( 0.4270833 0.2915384 -0.2392635), wk = 0.0028409 k( 43) = ( 0.4375000 0.2986491 -0.2450992), wk = 0.0028409 k( 44) = ( 0.4479167 0.3057598 -0.2509349), wk = 0.0028409 k( 45) = ( 0.4583333 0.3128705 -0.2567705), wk = 0.0028409 k( 46) = ( 0.4687500 0.3199812 -0.2626062), wk = 0.0028409 k( 47) = ( 0.4791667 0.3270919 -0.2684419), wk = 0.0028409 k( 48) = ( 0.4895833 0.3342026 -0.2742776), wk = 0.0028409 k( 49) = ( 0.5000000 0.3413133 -0.2801133), wk = 0.0028409 k( 50) = ( 0.5000000 0.3413133 -0.2801133), wk = 0.0028409 k( 51) = ( 0.5048728 0.3446396 -0.2673624), wk = 0.0028409 k( 52) = ( 0.5097455 0.3479658 -0.2546116), wk = 0.0028409 k( 53) = ( 0.5146183 0.3512921 -0.2418607), wk = 0.0028409 k( 54) = ( 0.5194911 0.3546184 -0.2291098), wk = 0.0028409 k( 55) = ( 0.5243639 0.3579447 -0.2163589), wk = 0.0028409 k( 56) = ( 0.5292366 0.3612710 -0.2036080), wk = 0.0028409 k( 57) = ( 0.5341094 0.3645973 -0.1908571), wk = 0.0028409 k( 58) = ( 0.5389822 0.3679236 -0.1781062), wk = 0.0028409 k( 59) = ( 0.5438550 0.3712498 -0.1653553), wk = 0.0028409 k( 60) = ( 0.5487277 0.3745761 -0.1526045), wk = 0.0028409 k( 61) = ( 0.5536005 0.3779024 -0.1398536), wk = 0.0028409 k( 62) = ( 0.5584733 0.3812287 -0.1271027), wk = 0.0028409 k( 63) = ( 0.5633461 0.3845550 -0.1143518), wk = 0.0028409 k( 64) = ( 0.5682189 0.3878813 -0.1016009), wk = 0.0028409 k( 65) = ( 0.5730916 0.3912076 -0.0888500), wk = 0.0028409 k( 66) = ( 0.5779644 0.3945338 -0.0760991), wk = 0.0028409 k( 67) = ( 0.5828372 0.3978601 -0.0633482), wk = 0.0028409 k( 68) = ( 0.5877100 0.4011864 -0.0505974), wk = 0.0028409 k( 69) = ( 0.5925827 0.4045127 -0.0378465), wk = 0.0028409 k( 70) = ( 0.5974555 0.4078390 -0.0250956), wk = 0.0028409 k( 71) = ( 0.6023283 0.4111653 -0.0123447), wk = 0.0028409 k( 72) = ( 0.6023283 0.4111653 -0.0123447), wk = 0.0028409 k( 73) = ( 0.5976770 0.4079902 0.0003877), wk = 0.0028409 k( 74) = ( 0.5930257 0.4048151 0.0131202), wk = 0.0028409 k( 75) = ( 0.5883744 0.4016400 0.0258526), wk = 0.0028409 k( 76) = ( 0.5837231 0.3984649 0.0385850), wk = 0.0028409 k( 77) = ( 0.5790719 0.3952898 0.0513174), wk = 0.0028409 k( 78) = ( 0.5744206 0.3921147 0.0640498), wk = 0.0028409 k( 79) = ( 0.5697693 0.3889396 0.0767823), wk = 0.0028409 k( 80) = ( 0.5651180 0.3857645 0.0895147), wk = 0.0028409 k( 81) = ( 0.5604667 0.3825895 0.1022471), wk = 0.0028409 k( 82) = ( 0.5558154 0.3794144 0.1149795), wk = 0.0028409 k( 83) = ( 0.5511641 0.3762393 0.1277120), wk = 0.0028409 k( 84) = ( 0.5465129 0.3730642 0.1404444), wk = 0.0028409 k( 85) = ( 0.5418616 0.3698891 0.1531768), wk = 0.0028409 k( 86) = ( 0.5372103 0.3667140 0.1659092), wk = 0.0028409 k( 87) = ( 0.5325590 0.3635389 0.1786417), wk = 0.0028409 k( 88) = ( 0.5279077 0.3603638 0.1913741), wk = 0.0028409 k( 89) = ( 0.5232564 0.3571887 0.2041065), wk = 0.0028409 k( 90) = ( 0.5186051 0.3540136 0.2168389), wk = 0.0028409 k( 91) = ( 0.5139539 0.3508385 0.2295714), wk = 0.0028409 k( 92) = ( 0.5093026 0.3476635 0.2423038), wk = 0.0028409 k( 93) = ( 0.5046513 0.3444884 0.2550362), wk = 0.0028409 k( 94) = ( 0.5000000 0.3413133 0.2677686), wk = 0.0028409 k( 95) = ( 0.5000000 0.3413133 0.2677686), wk = 0.0028409 k( 96) = ( 0.5079280 0.3296993 0.2677686), wk = 0.0028409 k( 97) = ( 0.5158561 0.3180853 0.2677686), wk = 0.0028409 k( 98) = ( 0.5237841 0.3064713 0.2677686), wk = 0.0028409 k( 99) = ( 0.5317121 0.2948573 0.2677686), wk = 0.0028409 k( 100) = ( 0.5396401 0.2832433 0.2677686), wk = 0.0028409 k( 101) = ( 0.5475682 0.2716293 0.2677686), wk = 0.0028409 k( 102) = ( 0.5554962 0.2600153 0.2677686), wk = 0.0028409 k( 103) = ( 0.5634242 0.2484013 0.2677686), wk = 0.0028409 k( 104) = ( 0.5713522 0.2367873 0.2677686), wk = 0.0028409 k( 105) = ( 0.5792803 0.2251733 0.2677686), wk = 0.0028409 k( 106) = ( 0.5872083 0.2135593 0.2677686), wk = 0.0028409 k( 107) = ( 0.5951363 0.2019453 0.2677686), wk = 0.0028409 k( 108) = ( 0.6030643 0.1903313 0.2677686), wk = 0.0028409 k( 109) = ( 0.6109923 0.1787173 0.2677686), wk = 0.0028409 k( 110) = ( 0.6189204 0.1671033 0.2677686), wk = 0.0028409 k( 111) = ( 0.6268484 0.1554893 0.2677686), wk = 0.0028409 k( 112) = ( 0.6347764 0.1438753 0.2677686), wk = 0.0028409 k( 113) = ( 0.6427044 0.1322613 0.2677686), wk = 0.0028409 k( 114) = ( 0.6506325 0.1206473 0.2677686), wk = 0.0028409 k( 115) = ( 0.6585605 0.1090333 0.2677686), wk = 0.0028409 k( 116) = ( 0.6664885 0.0974193 0.2677686), wk = 0.0028409 k( 117) = ( 0.6744165 0.0858053 0.2677686), wk = 0.0028409 k( 118) = ( 0.6823446 0.0741913 0.2677686), wk = 0.0028409 k( 119) = ( 0.6902726 0.0625773 0.2677686), wk = 0.0028409 k( 120) = ( 0.6982006 0.0509633 0.2677686), wk = 0.0028409 k( 121) = ( 0.7061286 0.0393493 0.2677686), wk = 0.0028409 k( 122) = ( 0.2938714 -0.4305009 0.5478819), wk = 0.0028409 k( 123) = ( 0.2861379 -0.4191720 0.5478819), wk = 0.0028409 k( 124) = ( 0.2784045 -0.4078430 0.5478819), wk = 0.0028409 k( 125) = ( 0.2706710 -0.3965140 0.5478819), wk = 0.0028409 k( 126) = ( 0.2629375 -0.3851850 0.5478819), wk = 0.0028409 k( 127) = ( 0.2552041 -0.3738561 0.5478819), wk = 0.0028409 k( 128) = ( 0.2474706 -0.3625271 0.5478819), wk = 0.0028409 k( 129) = ( 0.2397372 -0.3511981 0.5478819), wk = 0.0028409 k( 130) = ( 0.2320037 -0.3398692 0.5478819), wk = 0.0028409 k( 131) = ( 0.2242703 -0.3285402 0.5478819), wk = 0.0028409 k( 132) = ( 0.2165368 -0.3172112 0.5478819), wk = 0.0028409 k( 133) = ( 0.2088033 -0.3058822 0.5478819), wk = 0.0028409 k( 134) = ( 0.2010699 -0.2945533 0.5478819), wk = 0.0028409 k( 135) = ( 0.1933364 -0.2832243 0.5478819), wk = 0.0028409 k( 136) = ( 0.1856030 -0.2718953 0.5478819), wk = 0.0028409 k( 137) = ( 0.1778695 -0.2605664 0.5478819), wk = 0.0028409 k( 138) = ( 0.1701361 -0.2492374 0.5478819), wk = 0.0028409 k( 139) = ( 0.1624026 -0.2379084 0.5478819), wk = 0.0028409 k( 140) = ( 0.1546691 -0.2265794 0.5478819), wk = 0.0028409 k( 141) = ( 0.1469357 -0.2152505 0.5478819), wk = 0.0028409 k( 142) = ( 0.1392022 -0.2039215 0.5478819), wk = 0.0028409 k( 143) = ( 0.1314688 -0.1925925 0.5478819), wk = 0.0028409 k( 144) = ( 0.1237353 -0.1812636 0.5478819), wk = 0.0028409 k( 145) = ( 0.1160019 -0.1699346 0.5478819), wk = 0.0028409 k( 146) = ( 0.1082684 -0.1586056 0.5478819), wk = 0.0028409 k( 147) = ( 0.1005349 -0.1472766 0.5478819), wk = 0.0028409 k( 148) = ( 0.0928015 -0.1359477 0.5478819), wk = 0.0028409 k( 149) = ( 0.0850680 -0.1246187 0.5478819), wk = 0.0028409 k( 150) = ( 0.0773346 -0.1132897 0.5478819), wk = 0.0028409 k( 151) = ( 0.0696011 -0.1019607 0.5478819), wk = 0.0028409 k( 152) = ( 0.0618677 -0.0906318 0.5478819), wk = 0.0028409 k( 153) = ( 0.0541342 -0.0793028 0.5478819), wk = 0.0028409 k( 154) = ( 0.0464007 -0.0679738 0.5478819), wk = 0.0028409 k( 155) = ( 0.0386673 -0.0566449 0.5478819), wk = 0.0028409 k( 156) = ( 0.0309338 -0.0453159 0.5478819), wk = 0.0028409 k( 157) = ( 0.0232004 -0.0339869 0.5478819), wk = 0.0028409 k( 158) = ( 0.0154669 -0.0226579 0.5478819), wk = 0.0028409 k( 159) = ( 0.0077335 -0.0113290 0.5478819), wk = 0.0028409 k( 160) = ( 0.0000000 0.0000000 0.5478819), wk = 0.0028409 k( 161) = ( 0.0000000 0.0000000 0.5478819), wk = 0.0028409 k( 162) = ( 0.0113621 0.0077560 0.5478819), wk = 0.0028409 k( 163) = ( 0.0227241 0.0155121 0.5478819), wk = 0.0028409 k( 164) = ( 0.0340862 0.0232681 0.5478819), wk = 0.0028409 k( 165) = ( 0.0454482 0.0310241 0.5478819), wk = 0.0028409 k( 166) = ( 0.0568102 0.0387802 0.5478819), wk = 0.0028409 k( 167) = ( 0.0681723 0.0465362 0.5478820), wk = 0.0028409 k( 168) = ( 0.0795343 0.0542923 0.5478819), wk = 0.0028409 k( 169) = ( 0.0908964 0.0620483 0.5478819), wk = 0.0028409 k( 170) = ( 0.1022584 0.0698043 0.5478819), wk = 0.0028409 k( 171) = ( 0.1136205 0.0775604 0.5478819), wk = 0.0028409 k( 172) = ( 0.1249825 0.0853164 0.5478819), wk = 0.0028409 k( 173) = ( 0.1363446 0.0930724 0.5478819), wk = 0.0028409 k( 174) = ( 0.1477066 0.1008285 0.5478819), wk = 0.0028409 k( 175) = ( 0.1590687 0.1085845 0.5478819), wk = 0.0028409 k( 176) = ( 0.1704307 0.1163405 0.5478819), wk = 0.0028409 k( 177) = ( 0.1817928 0.1240966 0.5478819), wk = 0.0028409 k( 178) = ( 0.1931548 0.1318526 0.5478819), wk = 0.0028409 k( 179) = ( 0.2045169 0.1396086 0.5478820), wk = 0.0028409 k( 180) = ( 0.2158789 0.1473647 0.5478819), wk = 0.0028409 k( 181) = ( 0.2272410 0.1551207 0.5478819), wk = 0.0028409 k( 182) = ( 0.2386030 0.1628768 0.5478819), wk = 0.0028409 k( 183) = ( 0.2499651 0.1706328 0.5478819), wk = 0.0028409 k( 184) = ( 0.2613271 0.1783888 0.5478819), wk = 0.0028409 k( 185) = ( 0.2726892 0.1861449 0.5478819), wk = 0.0028409 k( 186) = ( 0.2840512 0.1939009 0.5478819), wk = 0.0028409 k( 187) = ( 0.2954133 0.2016569 0.5478820), wk = 0.0028409 k( 188) = ( 0.3067753 0.2094130 0.5478819), wk = 0.0028409 k( 189) = ( 0.3181374 0.2171690 0.5478819), wk = 0.0028409 k( 190) = ( 0.3294994 0.2249250 0.5478819), wk = 0.0028409 k( 191) = ( 0.3408615 0.2326811 0.5478819), wk = 0.0028409 k( 192) = ( 0.3522235 0.2404371 0.5478819), wk = 0.0028409 k( 193) = ( 0.3635856 0.2481932 0.5478819), wk = 0.0028409 k( 194) = ( 0.3749476 0.2559492 0.5478819), wk = 0.0028409 k( 195) = ( 0.3863097 0.2637052 0.5478819), wk = 0.0028409 k( 196) = ( 0.3976717 0.2714613 0.5478819), wk = 0.0028409 k( 197) = ( 0.5000000 0.3413133 -0.2801133), wk = 0.0028409 k( 198) = ( 0.5077546 0.3299533 -0.2801133), wk = 0.0028409 k( 199) = ( 0.5155092 0.3185933 -0.2801133), wk = 0.0028409 k( 200) = ( 0.5232639 0.3072333 -0.2801133), wk = 0.0028409 k( 201) = ( 0.5310185 0.2958734 -0.2801133), wk = 0.0028409 k( 202) = ( 0.5387731 0.2845134 -0.2801133), wk = 0.0028409 k( 203) = ( 0.5465277 0.2731534 -0.2801133), wk = 0.0028409 k( 204) = ( 0.5542824 0.2617934 -0.2801133), wk = 0.0028409 k( 205) = ( 0.5620370 0.2504335 -0.2801133), wk = 0.0028409 k( 206) = ( 0.5697916 0.2390735 -0.2801133), wk = 0.0028409 k( 207) = ( 0.5775462 0.2277135 -0.2801133), wk = 0.0028409 k( 208) = ( 0.5853008 0.2163535 -0.2801133), wk = 0.0028409 k( 209) = ( 0.5930555 0.2049936 -0.2801133), wk = 0.0028409 k( 210) = ( 0.6008101 0.1936336 -0.2801133), wk = 0.0028409 k( 211) = ( 0.6085647 0.1822736 -0.2801133), wk = 0.0028409 k( 212) = ( 0.3914353 -0.5734253 0.0000000), wk = 0.0028409 k( 213) = ( 0.3836066 -0.5619568 0.0000000), wk = 0.0028409 k( 214) = ( 0.3757779 -0.5504883 0.0000000), wk = 0.0028409 k( 215) = ( 0.3679492 -0.5390198 0.0000000), wk = 0.0028409 k( 216) = ( 0.3601205 -0.5275512 0.0000000), wk = 0.0028409 k( 217) = ( 0.3522918 -0.5160827 0.0000000), wk = 0.0028409 k( 218) = ( 0.3444631 -0.5046142 0.0000000), wk = 0.0028409 k( 219) = ( 0.3366344 -0.4931457 0.0000000), wk = 0.0028409 k( 220) = ( 0.3288057 -0.4816772 0.0000000), wk = 0.0028409 k( 221) = ( 0.3209769 -0.4702087 0.0000000), wk = 0.0028409 k( 222) = ( 0.3131482 -0.4587402 0.0000000), wk = 0.0028409 k( 223) = ( 0.3053195 -0.4472717 0.0000000), wk = 0.0028409 k( 224) = ( 0.2974908 -0.4358032 0.0000000), wk = 0.0028409 k( 225) = ( 0.2896621 -0.4243347 0.0000000), wk = 0.0028409 k( 226) = ( 0.2818334 -0.4128662 0.0000000), wk = 0.0028409 k( 227) = ( 0.2740047 -0.4013977 0.0000000), wk = 0.0028409 k( 228) = ( 0.2661760 -0.3899292 0.0000000), wk = 0.0028409 k( 229) = ( 0.2583473 -0.3784607 0.0000000), wk = 0.0028409 k( 230) = ( 0.2505186 -0.3669922 0.0000000), wk = 0.0028409 k( 231) = ( 0.2426899 -0.3555237 0.0000000), wk = 0.0028409 k( 232) = ( 0.2348612 -0.3440552 0.0000000), wk = 0.0028409 k( 233) = ( 0.2270325 -0.3325867 0.0000000), wk = 0.0028409 k( 234) = ( 0.2192038 -0.3211181 0.0000000), wk = 0.0028409 k( 235) = ( 0.2113751 -0.3096496 0.0000000), wk = 0.0028409 k( 236) = ( 0.2035464 -0.2981811 0.0000000), wk = 0.0028409 k( 237) = ( 0.1957176 -0.2867126 0.0000000), wk = 0.0028409 k( 238) = ( 0.1878889 -0.2752441 0.0000000), wk = 0.0028409 k( 239) = ( 0.1800602 -0.2637756 0.0000000), wk = 0.0028409 k( 240) = ( 0.1722315 -0.2523071 0.0000000), wk = 0.0028409 k( 241) = ( 0.1644028 -0.2408386 0.0000000), wk = 0.0028409 k( 242) = ( 0.1565741 -0.2293701 0.0000000), wk = 0.0028409 k( 243) = ( 0.1487454 -0.2179016 0.0000000), wk = 0.0028409 k( 244) = ( 0.1409167 -0.2064331 0.0000000), wk = 0.0028409 k( 245) = ( 0.1330880 -0.1949646 0.0000000), wk = 0.0028409 k( 246) = ( 0.1252593 -0.1834961 0.0000000), wk = 0.0028409 k( 247) = ( 0.1174306 -0.1720276 0.0000000), wk = 0.0028409 k( 248) = ( 0.1096019 -0.1605591 0.0000000), wk = 0.0028409 k( 249) = ( 0.1017732 -0.1490906 0.0000000), wk = 0.0028409 k( 250) = ( 0.0939445 -0.1376221 0.0000000), wk = 0.0028409 k( 251) = ( 0.0861158 -0.1261536 0.0000000), wk = 0.0028409 k( 252) = ( 0.0782871 -0.1146851 0.0000000), wk = 0.0028409 k( 253) = ( 0.0704584 -0.1032165 0.0000000), wk = 0.0028409 k( 254) = ( 0.0626296 -0.0917480 0.0000000), wk = 0.0028409 k( 255) = ( 0.0548009 -0.0802795 0.0000000), wk = 0.0028409 k( 256) = ( 0.0469722 -0.0688110 0.0000000), wk = 0.0028409 k( 257) = ( 0.0391435 -0.0573425 0.0000000), wk = 0.0028409 k( 258) = ( 0.0313148 -0.0458740 0.0000000), wk = 0.0028409 k( 259) = ( 0.0234861 -0.0344055 0.0000000), wk = 0.0028409 k( 260) = ( 0.0156574 -0.0229370 0.0000000), wk = 0.0028409 k( 261) = ( 0.0078287 -0.0114685 0.0000000), wk = 0.0028409 k( 262) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 263) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 264) = ( 0.0125000 -0.0048894 -0.0035014), wk = 0.0028409 k( 265) = ( 0.0250000 -0.0097788 -0.0070028), wk = 0.0028409 k( 266) = ( 0.0375000 -0.0146682 -0.0105042), wk = 0.0028409 k( 267) = ( 0.0500000 -0.0195576 -0.0140057), wk = 0.0028409 k( 268) = ( 0.0625000 -0.0244470 -0.0175071), wk = 0.0028409 k( 269) = ( 0.0750000 -0.0293364 -0.0210085), wk = 0.0028409 k( 270) = ( 0.0875000 -0.0342258 -0.0245099), wk = 0.0028409 k( 271) = ( 0.1000000 -0.0391152 -0.0280113), wk = 0.0028409 k( 272) = ( 0.1125000 -0.0440046 -0.0315127), wk = 0.0028409 k( 273) = ( 0.1250000 -0.0488940 -0.0350142), wk = 0.0028409 k( 274) = ( 0.1375000 -0.0537834 -0.0385156), wk = 0.0028409 k( 275) = ( 0.1500000 -0.0586727 -0.0420170), wk = 0.0028409 k( 276) = ( 0.1625000 -0.0635621 -0.0455184), wk = 0.0028409 k( 277) = ( 0.1750000 -0.0684515 -0.0490198), wk = 0.0028409 k( 278) = ( 0.1875000 -0.0733409 -0.0525212), wk = 0.0028409 k( 279) = ( 0.2000000 -0.0782303 -0.0560227), wk = 0.0028409 k( 280) = ( 0.2125000 -0.0831197 -0.0595241), wk = 0.0028409 k( 281) = ( 0.2250000 -0.0880091 -0.0630255), wk = 0.0028409 k( 282) = ( 0.2375000 -0.0928985 -0.0665269), wk = 0.0028409 k( 283) = ( 0.2500000 -0.0977879 -0.0700283), wk = 0.0028409 k( 284) = ( 0.2625000 -0.1026773 -0.0735297), wk = 0.0028409 k( 285) = ( 0.2750000 -0.1075667 -0.0770312), wk = 0.0028409 k( 286) = ( 0.2875000 -0.1124561 -0.0805326), wk = 0.0028409 k( 287) = ( 0.3000000 -0.1173455 -0.0840340), wk = 0.0028409 k( 288) = ( 0.3125000 -0.1222349 -0.0875354), wk = 0.0028409 k( 289) = ( 0.3250000 -0.1271243 -0.0910368), wk = 0.0028409 k( 290) = ( 0.3375000 -0.1320137 -0.0945382), wk = 0.0028409 k( 291) = ( 0.3500000 -0.1369031 -0.0980397), wk = 0.0028409 k( 292) = ( 0.3625000 -0.1417925 -0.1015411), wk = 0.0028409 k( 293) = ( 0.3750000 -0.1466819 -0.1050425), wk = 0.0028409 k( 294) = ( 0.3875000 -0.1515713 -0.1085439), wk = 0.0028409 k( 295) = ( 0.4000000 -0.1564607 -0.1120453), wk = 0.0028409 k( 296) = ( 0.4125000 -0.1613501 -0.1155467), wk = 0.0028409 k( 297) = ( 0.4250000 -0.1662395 -0.1190482), wk = 0.0028409 k( 298) = ( 0.4375000 -0.1711289 -0.1225496), wk = 0.0028409 k( 299) = ( 0.4500000 -0.1760182 -0.1260510), wk = 0.0028409 k( 300) = ( 0.4625000 -0.1809076 -0.1295524), wk = 0.0028409 k( 301) = ( 0.4750000 -0.1857970 -0.1330538), wk = 0.0028409 k( 302) = ( 0.4875000 -0.1906864 -0.1365552), wk = 0.0028409 k( 303) = ( 0.5000000 -0.1955758 -0.1400567), wk = 0.0028409 k( 304) = ( 0.5000000 -0.1955758 0.4078253), wk = 0.0028409 k( 305) = ( 0.4895833 -0.1915013 0.3993289), wk = 0.0028409 k( 306) = ( 0.4791667 -0.1874268 0.3908326), wk = 0.0028409 k( 307) = ( 0.4687500 -0.1833523 0.3823362), wk = 0.0028409 k( 308) = ( 0.4583333 -0.1792778 0.3738398), wk = 0.0028409 k( 309) = ( 0.4479167 -0.1752033 0.3653435), wk = 0.0028409 k( 310) = ( 0.4375000 -0.1711289 0.3568471), wk = 0.0028409 k( 311) = ( 0.4270833 -0.1670544 0.3483508), wk = 0.0028409 k( 312) = ( 0.4166667 -0.1629799 0.3398544), wk = 0.0028409 k( 313) = ( 0.4062500 -0.1589054 0.3313580), wk = 0.0028409 k( 314) = ( 0.3958333 -0.1548309 0.3228617), wk = 0.0028409 k( 315) = ( 0.3854167 -0.1507564 0.3143653), wk = 0.0028409 k( 316) = ( 0.3750000 -0.1466819 0.3058690), wk = 0.0028409 k( 317) = ( 0.3645833 -0.1426074 0.2973726), wk = 0.0028409 k( 318) = ( 0.3541667 -0.1385329 0.2888762), wk = 0.0028409 k( 319) = ( 0.3437500 -0.1344584 0.2803799), wk = 0.0028409 k( 320) = ( 0.3333333 -0.1303839 0.2718835), wk = 0.0028409 k( 321) = ( 0.3229167 -0.1263094 0.2633872), wk = 0.0028409 k( 322) = ( 0.3125000 -0.1222349 0.2548908), wk = 0.0028409 k( 323) = ( 0.3020833 -0.1181604 0.2463944), wk = 0.0028409 k( 324) = ( 0.2916667 -0.1140859 0.2378981), wk = 0.0028409 k( 325) = ( 0.2812500 -0.1100114 0.2294017), wk = 0.0028409 k( 326) = ( 0.2708333 -0.1059369 0.2209054), wk = 0.0028409 k( 327) = ( 0.2604167 -0.1018624 0.2124090), wk = 0.0028409 k( 328) = ( 0.2500000 -0.0977879 0.2039126), wk = 0.0028409 k( 329) = ( 0.2395833 -0.0937134 0.1954163), wk = 0.0028409 k( 330) = ( 0.2291667 -0.0896389 0.1869199), wk = 0.0028409 k( 331) = ( 0.2187500 -0.0855644 0.1784236), wk = 0.0028409 k( 332) = ( 0.2083333 -0.0814899 0.1699272), wk = 0.0028409 k( 333) = ( 0.1979167 -0.0774154 0.1614308), wk = 0.0028409 k( 334) = ( 0.1875000 -0.0733409 0.1529345), wk = 0.0028409 k( 335) = ( 0.1770833 -0.0692664 0.1444381), wk = 0.0028409 k( 336) = ( 0.1666667 -0.0651919 0.1359418), wk = 0.0028409 k( 337) = ( 0.1562500 -0.0611174 0.1274454), wk = 0.0028409 k( 338) = ( 0.1458333 -0.0570429 0.1189490), wk = 0.0028409 k( 339) = ( 0.1354167 -0.0529685 0.1104527), wk = 0.0028409 k( 340) = ( 0.1250000 -0.0488940 0.1019563), wk = 0.0028409 k( 341) = ( 0.1145833 -0.0448195 0.0934600), wk = 0.0028409 k( 342) = ( 0.1041667 -0.0407450 0.0849636), wk = 0.0028409 k( 343) = ( 0.0937500 -0.0366705 0.0764672), wk = 0.0028409 k( 344) = ( 0.0833333 -0.0325960 0.0679709), wk = 0.0028409 k( 345) = ( 0.0729167 -0.0285215 0.0594745), wk = 0.0028409 k( 346) = ( 0.0625000 -0.0244470 0.0509782), wk = 0.0028409 k( 347) = ( 0.0520833 -0.0203725 0.0424818), wk = 0.0028409 k( 348) = ( 0.0416667 -0.0162980 0.0339854), wk = 0.0028409 k( 349) = ( 0.0312500 -0.0122235 0.0254891), wk = 0.0028409 k( 350) = ( 0.0208333 -0.0081490 0.0169927), wk = 0.0028409 k( 351) = ( 0.0104167 -0.0040745 0.0084964), wk = 0.0028409 k( 352) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 2) = ( 0.0104167 0.0104167 -0.0000000), wk = 0.0028409 k( 3) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0028409 k( 4) = ( 0.0312500 0.0312500 0.0000000), wk = 0.0028409 k( 5) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0028409 k( 6) = ( 0.0520833 0.0520833 -0.0000000), wk = 0.0028409 k( 7) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0028409 k( 8) = ( 0.0729167 0.0729167 0.0000000), wk = 0.0028409 k( 9) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0028409 k( 10) = ( 0.0937500 0.0937500 0.0000000), wk = 0.0028409 k( 11) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0028409 k( 12) = ( 0.1145833 0.1145833 -0.0000000), wk = 0.0028409 k( 13) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0028409 k( 14) = ( 0.1354167 0.1354167 0.0000000), wk = 0.0028409 k( 15) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0028409 k( 16) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0028409 k( 17) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0028409 k( 18) = ( 0.1770833 0.1770833 0.0000000), wk = 0.0028409 k( 19) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0028409 k( 20) = ( 0.1979167 0.1979167 0.0000000), wk = 0.0028409 k( 21) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0028409 k( 22) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0028409 k( 23) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0028409 k( 24) = ( 0.2395833 0.2395833 0.0000000), wk = 0.0028409 k( 25) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0028409 k( 26) = ( 0.2604167 0.2604167 -0.0000000), wk = 0.0028409 k( 27) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0028409 k( 28) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0028409 k( 29) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0028409 k( 30) = ( 0.3020833 0.3020833 0.0000000), wk = 0.0028409 k( 31) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0028409 k( 32) = ( 0.3229167 0.3229167 0.0000000), wk = 0.0028409 k( 33) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028409 k( 34) = ( 0.3437500 0.3437500 0.0000000), wk = 0.0028409 k( 35) = ( 0.3541667 0.3541667 0.0000000), wk = 0.0028409 k( 36) = ( 0.3645833 0.3645833 0.0000000), wk = 0.0028409 k( 37) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0028409 k( 38) = ( 0.3854167 0.3854167 -0.0000000), wk = 0.0028409 k( 39) = ( 0.3958333 0.3958333 0.0000000), wk = 0.0028409 k( 40) = ( 0.4062500 0.4062500 0.0000000), wk = 0.0028409 k( 41) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0028409 k( 42) = ( 0.4270833 0.4270833 -0.0000000), wk = 0.0028409 k( 43) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0028409 k( 44) = ( 0.4479167 0.4479167 -0.0000000), wk = 0.0028409 k( 45) = ( 0.4583333 0.4583333 0.0000000), wk = 0.0028409 k( 46) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0028409 k( 47) = ( 0.4791667 0.4791667 0.0000000), wk = 0.0028409 k( 48) = ( 0.4895833 0.4895833 0.0000000), wk = 0.0028409 k( 49) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028409 k( 50) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028409 k( 51) = ( 0.5048728 0.5048728 0.0141278), wk = 0.0028409 k( 52) = ( 0.5097455 0.5097455 0.0282556), wk = 0.0028409 k( 53) = ( 0.5146183 0.5146183 0.0423834), wk = 0.0028409 k( 54) = ( 0.5194911 0.5194911 0.0565112), wk = 0.0028409 k( 55) = ( 0.5243639 0.5243639 0.0706391), wk = 0.0028409 k( 56) = ( 0.5292366 0.5292367 0.0847669), wk = 0.0028409 k( 57) = ( 0.5341094 0.5341094 0.0988947), wk = 0.0028409 k( 58) = ( 0.5389822 0.5389822 0.1130225), wk = 0.0028409 k( 59) = ( 0.5438550 0.5438550 0.1271503), wk = 0.0028409 k( 60) = ( 0.5487277 0.5487277 0.1412781), wk = 0.0028409 k( 61) = ( 0.5536005 0.5536005 0.1554059), wk = 0.0028409 k( 62) = ( 0.5584733 0.5584733 0.1695337), wk = 0.0028409 k( 63) = ( 0.5633461 0.5633461 0.1836615), wk = 0.0028409 k( 64) = ( 0.5682189 0.5682189 0.1977894), wk = 0.0028409 k( 65) = ( 0.5730916 0.5730916 0.2119172), wk = 0.0028409 k( 66) = ( 0.5779644 0.5779644 0.2260450), wk = 0.0028409 k( 67) = ( 0.5828372 0.5828372 0.2401728), wk = 0.0028409 k( 68) = ( 0.5877100 0.5877100 0.2543006), wk = 0.0028409 k( 69) = ( 0.5925827 0.5925827 0.2684284), wk = 0.0028409 k( 70) = ( 0.5974555 0.5974555 0.2825562), wk = 0.0028409 k( 71) = ( 0.6023283 0.6023283 0.2966840), wk = 0.0028409 k( 72) = ( 0.6023283 0.6023283 0.2966840), wk = 0.0028409 k( 73) = ( 0.5976770 0.5976770 0.3059257), wk = 0.0028409 k( 74) = ( 0.5930257 0.5930257 0.3151673), wk = 0.0028409 k( 75) = ( 0.5883744 0.5883744 0.3244089), wk = 0.0028409 k( 76) = ( 0.5837231 0.5837231 0.3336506), wk = 0.0028409 k( 77) = ( 0.5790719 0.5790719 0.3428922), wk = 0.0028409 k( 78) = ( 0.5744206 0.5744206 0.3521338), wk = 0.0028409 k( 79) = ( 0.5697693 0.5697693 0.3613755), wk = 0.0028409 k( 80) = ( 0.5651180 0.5651180 0.3706171), wk = 0.0028409 k( 81) = ( 0.5604667 0.5604667 0.3798588), wk = 0.0028409 k( 82) = ( 0.5558154 0.5558154 0.3891004), wk = 0.0028409 k( 83) = ( 0.5511641 0.5511641 0.3983420), wk = 0.0028409 k( 84) = ( 0.5465129 0.5465129 0.4075837), wk = 0.0028409 k( 85) = ( 0.5418616 0.5418616 0.4168253), wk = 0.0028409 k( 86) = ( 0.5372103 0.5372103 0.4260669), wk = 0.0028409 k( 87) = ( 0.5325590 0.5325590 0.4353086), wk = 0.0028409 k( 88) = ( 0.5279077 0.5279077 0.4445502), wk = 0.0028409 k( 89) = ( 0.5232564 0.5232564 0.4537918), wk = 0.0028409 k( 90) = ( 0.5186051 0.5186051 0.4630335), wk = 0.0028409 k( 91) = ( 0.5139539 0.5139539 0.4722751), wk = 0.0028409 k( 92) = ( 0.5093026 0.5093026 0.4815167), wk = 0.0028409 k( 93) = ( 0.5046513 0.5046513 0.4907584), wk = 0.0028409 k( 94) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 95) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028409 k( 96) = ( 0.5079280 0.4920720 0.5000000), wk = 0.0028409 k( 97) = ( 0.5158561 0.4841440 0.5000000), wk = 0.0028409 k( 98) = ( 0.5237841 0.4762159 0.5000000), wk = 0.0028409 k( 99) = ( 0.5317121 0.4682879 0.5000000), wk = 0.0028409 k( 100) = ( 0.5396401 0.4603599 0.5000000), wk = 0.0028409 k( 101) = ( 0.5475682 0.4524318 0.5000000), wk = 0.0028409 k( 102) = ( 0.5554962 0.4445038 0.5000000), wk = 0.0028409 k( 103) = ( 0.5634242 0.4365758 0.5000000), wk = 0.0028409 k( 104) = ( 0.5713522 0.4286478 0.5000000), wk = 0.0028409 k( 105) = ( 0.5792803 0.4207198 0.5000000), wk = 0.0028409 k( 106) = ( 0.5872083 0.4127917 0.5000000), wk = 0.0028409 k( 107) = ( 0.5951363 0.4048637 0.5000000), wk = 0.0028409 k( 108) = ( 0.6030643 0.3969357 0.5000000), wk = 0.0028409 k( 109) = ( 0.6109923 0.3890077 0.5000000), wk = 0.0028409 k( 110) = ( 0.6189204 0.3810796 0.5000000), wk = 0.0028409 k( 111) = ( 0.6268484 0.3731516 0.5000000), wk = 0.0028409 k( 112) = ( 0.6347764 0.3652236 0.5000000), wk = 0.0028409 k( 113) = ( 0.6427044 0.3572956 0.5000000), wk = 0.0028409 k( 114) = ( 0.6506325 0.3493675 0.5000000), wk = 0.0028409 k( 115) = ( 0.6585605 0.3414395 0.5000000), wk = 0.0028409 k( 116) = ( 0.6664885 0.3335115 0.5000000), wk = 0.0028409 k( 117) = ( 0.6744165 0.3255835 0.5000000), wk = 0.0028409 k( 118) = ( 0.6823446 0.3176554 0.5000000), wk = 0.0028409 k( 119) = ( 0.6902726 0.3097274 0.5000000), wk = 0.0028409 k( 120) = ( 0.6982006 0.3017994 0.5000000), wk = 0.0028409 k( 121) = ( 0.7061286 0.2938714 0.5000000), wk = 0.0028409 k( 122) = ( 0.2938714 -0.2938714 0.5000000), wk = 0.0028409 k( 123) = ( 0.2861379 -0.2861379 0.5000000), wk = 0.0028409 k( 124) = ( 0.2784045 -0.2784045 0.5000000), wk = 0.0028409 k( 125) = ( 0.2706710 -0.2706710 0.5000000), wk = 0.0028409 k( 126) = ( 0.2629375 -0.2629375 0.5000000), wk = 0.0028409 k( 127) = ( 0.2552041 -0.2552041 0.5000000), wk = 0.0028409 k( 128) = ( 0.2474706 -0.2474706 0.5000000), wk = 0.0028409 k( 129) = ( 0.2397372 -0.2397372 0.5000000), wk = 0.0028409 k( 130) = ( 0.2320037 -0.2320037 0.5000000), wk = 0.0028409 k( 131) = ( 0.2242703 -0.2242703 0.5000000), wk = 0.0028409 k( 132) = ( 0.2165368 -0.2165368 0.5000000), wk = 0.0028409 k( 133) = ( 0.2088033 -0.2088033 0.5000000), wk = 0.0028409 k( 134) = ( 0.2010699 -0.2010699 0.5000000), wk = 0.0028409 k( 135) = ( 0.1933364 -0.1933364 0.5000000), wk = 0.0028409 k( 136) = ( 0.1856030 -0.1856030 0.5000000), wk = 0.0028409 k( 137) = ( 0.1778695 -0.1778695 0.5000000), wk = 0.0028409 k( 138) = ( 0.1701361 -0.1701361 0.5000000), wk = 0.0028409 k( 139) = ( 0.1624026 -0.1624026 0.5000000), wk = 0.0028409 k( 140) = ( 0.1546691 -0.1546691 0.5000000), wk = 0.0028409 k( 141) = ( 0.1469357 -0.1469357 0.5000000), wk = 0.0028409 k( 142) = ( 0.1392022 -0.1392022 0.5000000), wk = 0.0028409 k( 143) = ( 0.1314688 -0.1314688 0.5000000), wk = 0.0028409 k( 144) = ( 0.1237353 -0.1237353 0.5000000), wk = 0.0028409 k( 145) = ( 0.1160019 -0.1160018 0.5000000), wk = 0.0028409 k( 146) = ( 0.1082684 -0.1082684 0.5000000), wk = 0.0028409 k( 147) = ( 0.1005349 -0.1005349 0.5000000), wk = 0.0028409 k( 148) = ( 0.0928015 -0.0928015 0.5000000), wk = 0.0028409 k( 149) = ( 0.0850680 -0.0850680 0.5000000), wk = 0.0028409 k( 150) = ( 0.0773346 -0.0773346 0.5000000), wk = 0.0028409 k( 151) = ( 0.0696011 -0.0696011 0.5000000), wk = 0.0028409 k( 152) = ( 0.0618677 -0.0618677 0.5000000), wk = 0.0028409 k( 153) = ( 0.0541342 -0.0541342 0.5000000), wk = 0.0028409 k( 154) = ( 0.0464007 -0.0464007 0.5000000), wk = 0.0028409 k( 155) = ( 0.0386673 -0.0386673 0.5000000), wk = 0.0028409 k( 156) = ( 0.0309338 -0.0309338 0.5000000), wk = 0.0028409 k( 157) = ( 0.0232004 -0.0232004 0.5000000), wk = 0.0028409 k( 158) = ( 0.0154669 -0.0154669 0.5000000), wk = 0.0028409 k( 159) = ( 0.0077335 -0.0077335 0.5000000), wk = 0.0028409 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028409 k( 162) = ( 0.0113621 0.0113620 0.5058090), wk = 0.0028409 k( 163) = ( 0.0227241 0.0227241 0.5116181), wk = 0.0028409 k( 164) = ( 0.0340862 0.0340862 0.5174271), wk = 0.0028409 k( 165) = ( 0.0454482 0.0454482 0.5232361), wk = 0.0028409 k( 166) = ( 0.0568102 0.0568102 0.5290451), wk = 0.0028409 k( 167) = ( 0.0681723 0.0681723 0.5348542), wk = 0.0028409 k( 168) = ( 0.0795343 0.0795343 0.5406632), wk = 0.0028409 k( 169) = ( 0.0908964 0.0908964 0.5464722), wk = 0.0028409 k( 170) = ( 0.1022584 0.1022584 0.5522812), wk = 0.0028409 k( 171) = ( 0.1136205 0.1136205 0.5580903), wk = 0.0028409 k( 172) = ( 0.1249825 0.1249825 0.5638993), wk = 0.0028409 k( 173) = ( 0.1363446 0.1363446 0.5697083), wk = 0.0028409 k( 174) = ( 0.1477066 0.1477066 0.5755174), wk = 0.0028409 k( 175) = ( 0.1590687 0.1590687 0.5813264), wk = 0.0028409 k( 176) = ( 0.1704307 0.1704307 0.5871354), wk = 0.0028409 k( 177) = ( 0.1817928 0.1817928 0.5929444), wk = 0.0028409 k( 178) = ( 0.1931548 0.1931548 0.5987535), wk = 0.0028409 k( 179) = ( 0.2045169 0.2045169 0.6045625), wk = 0.0028409 k( 180) = ( 0.2158789 0.2158789 0.6103715), wk = 0.0028409 k( 181) = ( 0.2272410 0.2272410 0.6161806), wk = 0.0028409 k( 182) = ( 0.2386030 0.2386030 0.6219896), wk = 0.0028409 k( 183) = ( 0.2499651 0.2499651 0.6277986), wk = 0.0028409 k( 184) = ( 0.2613271 0.2613271 0.6336076), wk = 0.0028409 k( 185) = ( 0.2726892 0.2726892 0.6394167), wk = 0.0028409 k( 186) = ( 0.2840512 0.2840512 0.6452257), wk = 0.0028409 k( 187) = ( 0.2954133 0.2954133 0.6510347), wk = 0.0028409 k( 188) = ( 0.3067753 0.3067753 0.6568437), wk = 0.0028409 k( 189) = ( 0.3181374 0.3181374 0.6626528), wk = 0.0028409 k( 190) = ( 0.3294994 0.3294994 0.6684618), wk = 0.0028409 k( 191) = ( 0.3408615 0.3408615 0.6742708), wk = 0.0028409 k( 192) = ( 0.3522235 0.3522235 0.6800799), wk = 0.0028409 k( 193) = ( 0.3635856 0.3635856 0.6858889), wk = 0.0028409 k( 194) = ( 0.3749476 0.3749476 0.6916979), wk = 0.0028409 k( 195) = ( 0.3863097 0.3863097 0.6975069), wk = 0.0028409 k( 196) = ( 0.3976717 0.3976717 0.7033160), wk = 0.0028409 k( 197) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028409 k( 198) = ( 0.5077546 0.4922454 0.0000000), wk = 0.0028409 k( 199) = ( 0.5155092 0.4844908 0.0000000), wk = 0.0028409 k( 200) = ( 0.5232639 0.4767361 0.0000000), wk = 0.0028409 k( 201) = ( 0.5310185 0.4689815 -0.0000000), wk = 0.0028409 k( 202) = ( 0.5387731 0.4612269 0.0000000), wk = 0.0028409 k( 203) = ( 0.5465277 0.4534723 0.0000000), wk = 0.0028409 k( 204) = ( 0.5542824 0.4457176 0.0000000), wk = 0.0028409 k( 205) = ( 0.5620370 0.4379630 0.0000000), wk = 0.0028409 k( 206) = ( 0.5697916 0.4302084 0.0000000), wk = 0.0028409 k( 207) = ( 0.5775462 0.4224538 0.0000000), wk = 0.0028409 k( 208) = ( 0.5853008 0.4146992 -0.0000000), wk = 0.0028409 k( 209) = ( 0.5930555 0.4069446 0.0000000), wk = 0.0028409 k( 210) = ( 0.6008101 0.3991899 -0.0000000), wk = 0.0028409 k( 211) = ( 0.6085647 0.3914353 -0.0000000), wk = 0.0028409 k( 212) = ( 0.3914353 -0.3914353 -0.0000000), wk = 0.0028409 k( 213) = ( 0.3836066 -0.3836066 0.0000000), wk = 0.0028409 k( 214) = ( 0.3757779 -0.3757779 -0.0000000), wk = 0.0028409 k( 215) = ( 0.3679492 -0.3679492 -0.0000000), wk = 0.0028409 k( 216) = ( 0.3601205 -0.3601205 -0.0000000), wk = 0.0028409 k( 217) = ( 0.3522918 -0.3522918 -0.0000000), wk = 0.0028409 k( 218) = ( 0.3444631 -0.3444631 0.0000000), wk = 0.0028409 k( 219) = ( 0.3366344 -0.3366344 -0.0000000), wk = 0.0028409 k( 220) = ( 0.3288057 -0.3288057 -0.0000000), wk = 0.0028409 k( 221) = ( 0.3209769 -0.3209769 -0.0000000), wk = 0.0028409 k( 222) = ( 0.3131482 -0.3131482 -0.0000000), wk = 0.0028409 k( 223) = ( 0.3053195 -0.3053195 -0.0000000), wk = 0.0028409 k( 224) = ( 0.2974908 -0.2974908 -0.0000000), wk = 0.0028409 k( 225) = ( 0.2896621 -0.2896621 -0.0000000), wk = 0.0028409 k( 226) = ( 0.2818334 -0.2818334 -0.0000000), wk = 0.0028409 k( 227) = ( 0.2740047 -0.2740047 -0.0000000), wk = 0.0028409 k( 228) = ( 0.2661760 -0.2661760 -0.0000000), wk = 0.0028409 k( 229) = ( 0.2583473 -0.2583473 -0.0000000), wk = 0.0028409 k( 230) = ( 0.2505186 -0.2505186 0.0000000), wk = 0.0028409 k( 231) = ( 0.2426899 -0.2426899 -0.0000000), wk = 0.0028409 k( 232) = ( 0.2348612 -0.2348612 -0.0000000), wk = 0.0028409 k( 233) = ( 0.2270325 -0.2270325 0.0000000), wk = 0.0028409 k( 234) = ( 0.2192038 -0.2192038 -0.0000000), wk = 0.0028409 k( 235) = ( 0.2113751 -0.2113751 -0.0000000), wk = 0.0028409 k( 236) = ( 0.2035464 -0.2035464 -0.0000000), wk = 0.0028409 k( 237) = ( 0.1957176 -0.1957176 -0.0000000), wk = 0.0028409 k( 238) = ( 0.1878889 -0.1878889 0.0000000), wk = 0.0028409 k( 239) = ( 0.1800602 -0.1800602 -0.0000000), wk = 0.0028409 k( 240) = ( 0.1722315 -0.1722315 -0.0000000), wk = 0.0028409 k( 241) = ( 0.1644028 -0.1644028 -0.0000000), wk = 0.0028409 k( 242) = ( 0.1565741 -0.1565741 -0.0000000), wk = 0.0028409 k( 243) = ( 0.1487454 -0.1487454 -0.0000000), wk = 0.0028409 k( 244) = ( 0.1409167 -0.1409167 -0.0000000), wk = 0.0028409 k( 245) = ( 0.1330880 -0.1330880 -0.0000000), wk = 0.0028409 k( 246) = ( 0.1252593 -0.1252593 -0.0000000), wk = 0.0028409 k( 247) = ( 0.1174306 -0.1174306 -0.0000000), wk = 0.0028409 k( 248) = ( 0.1096019 -0.1096019 -0.0000000), wk = 0.0028409 k( 249) = ( 0.1017732 -0.1017732 -0.0000000), wk = 0.0028409 k( 250) = ( 0.0939445 -0.0939445 -0.0000000), wk = 0.0028409 k( 251) = ( 0.0861158 -0.0861158 -0.0000000), wk = 0.0028409 k( 252) = ( 0.0782871 -0.0782871 -0.0000000), wk = 0.0028409 k( 253) = ( 0.0704584 -0.0704584 -0.0000000), wk = 0.0028409 k( 254) = ( 0.0626296 -0.0626297 -0.0000000), wk = 0.0028409 k( 255) = ( 0.0548009 -0.0548009 -0.0000000), wk = 0.0028409 k( 256) = ( 0.0469722 -0.0469722 -0.0000000), wk = 0.0028409 k( 257) = ( 0.0391435 -0.0391435 -0.0000000), wk = 0.0028409 k( 258) = ( 0.0313148 -0.0313148 -0.0000000), wk = 0.0028409 k( 259) = ( 0.0234861 -0.0234861 -0.0000000), wk = 0.0028409 k( 260) = ( 0.0156574 -0.0156574 -0.0000000), wk = 0.0028409 k( 261) = ( 0.0078287 -0.0078287 -0.0000000), wk = 0.0028409 k( 262) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 263) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 k( 264) = ( 0.0125000 -0.0000000 0.0000000), wk = 0.0028409 k( 265) = ( 0.0250000 -0.0000000 0.0000000), wk = 0.0028409 k( 266) = ( 0.0375000 0.0000000 -0.0000000), wk = 0.0028409 k( 267) = ( 0.0500000 -0.0000000 0.0000000), wk = 0.0028409 k( 268) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0028409 k( 269) = ( 0.0750000 0.0000000 -0.0000000), wk = 0.0028409 k( 270) = ( 0.0875000 0.0000000 -0.0000000), wk = 0.0028409 k( 271) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0028409 k( 272) = ( 0.1125000 0.0000000 -0.0000000), wk = 0.0028409 k( 273) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0028409 k( 274) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0028409 k( 275) = ( 0.1500000 0.0000000 -0.0000000), wk = 0.0028409 k( 276) = ( 0.1625000 0.0000000 0.0000000), wk = 0.0028409 k( 277) = ( 0.1750000 0.0000000 -0.0000000), wk = 0.0028409 k( 278) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0028409 k( 279) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0028409 k( 280) = ( 0.2125000 0.0000000 -0.0000000), wk = 0.0028409 k( 281) = ( 0.2250000 0.0000000 -0.0000000), wk = 0.0028409 k( 282) = ( 0.2375000 0.0000000 -0.0000000), wk = 0.0028409 k( 283) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0028409 k( 284) = ( 0.2625000 -0.0000000 0.0000000), wk = 0.0028409 k( 285) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0028409 k( 286) = ( 0.2875000 -0.0000000 -0.0000000), wk = 0.0028409 k( 287) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0028409 k( 288) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0028409 k( 289) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0028409 k( 290) = ( 0.3375000 0.0000000 -0.0000000), wk = 0.0028409 k( 291) = ( 0.3500000 0.0000000 -0.0000000), wk = 0.0028409 k( 292) = ( 0.3625000 0.0000000 0.0000000), wk = 0.0028409 k( 293) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0028409 k( 294) = ( 0.3875000 -0.0000000 0.0000000), wk = 0.0028409 k( 295) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0028409 k( 296) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0028409 k( 297) = ( 0.4250000 0.0000000 -0.0000000), wk = 0.0028409 k( 298) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0028409 k( 299) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0028409 k( 300) = ( 0.4625000 0.0000000 0.0000000), wk = 0.0028409 k( 301) = ( 0.4750000 0.0000000 -0.0000000), wk = 0.0028409 k( 302) = ( 0.4875000 0.0000000 0.0000000), wk = 0.0028409 k( 303) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028409 k( 304) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028409 k( 305) = ( 0.4895833 -0.0000000 0.4895833), wk = 0.0028409 k( 306) = ( 0.4791667 -0.0000000 0.4791667), wk = 0.0028409 k( 307) = ( 0.4687500 0.0000000 0.4687500), wk = 0.0028409 k( 308) = ( 0.4583333 0.0000000 0.4583333), wk = 0.0028409 k( 309) = ( 0.4479167 0.0000000 0.4479167), wk = 0.0028409 k( 310) = ( 0.4375000 0.0000000 0.4375000), wk = 0.0028409 k( 311) = ( 0.4270833 -0.0000000 0.4270833), wk = 0.0028409 k( 312) = ( 0.4166667 0.0000000 0.4166667), wk = 0.0028409 k( 313) = ( 0.4062500 0.0000000 0.4062500), wk = 0.0028409 k( 314) = ( 0.3958333 0.0000000 0.3958333), wk = 0.0028409 k( 315) = ( 0.3854167 0.0000000 0.3854167), wk = 0.0028409 k( 316) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0028409 k( 317) = ( 0.3645833 0.0000000 0.3645833), wk = 0.0028409 k( 318) = ( 0.3541667 0.0000000 0.3541667), wk = 0.0028409 k( 319) = ( 0.3437500 -0.0000000 0.3437500), wk = 0.0028409 k( 320) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0028409 k( 321) = ( 0.3229167 -0.0000000 0.3229167), wk = 0.0028409 k( 322) = ( 0.3125000 0.0000000 0.3125000), wk = 0.0028409 k( 323) = ( 0.3020833 0.0000000 0.3020833), wk = 0.0028409 k( 324) = ( 0.2916667 0.0000000 0.2916667), wk = 0.0028409 k( 325) = ( 0.2812500 -0.0000000 0.2812500), wk = 0.0028409 k( 326) = ( 0.2708333 0.0000000 0.2708333), wk = 0.0028409 k( 327) = ( 0.2604167 -0.0000000 0.2604167), wk = 0.0028409 k( 328) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0028409 k( 329) = ( 0.2395833 -0.0000000 0.2395833), wk = 0.0028409 k( 330) = ( 0.2291667 0.0000000 0.2291667), wk = 0.0028409 k( 331) = ( 0.2187500 0.0000000 0.2187500), wk = 0.0028409 k( 332) = ( 0.2083333 0.0000000 0.2083333), wk = 0.0028409 k( 333) = ( 0.1979167 0.0000000 0.1979167), wk = 0.0028409 k( 334) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0028409 k( 335) = ( 0.1770833 -0.0000000 0.1770833), wk = 0.0028409 k( 336) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0028409 k( 337) = ( 0.1562500 0.0000000 0.1562500), wk = 0.0028409 k( 338) = ( 0.1458333 0.0000000 0.1458333), wk = 0.0028409 k( 339) = ( 0.1354167 0.0000000 0.1354167), wk = 0.0028409 k( 340) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0028409 k( 341) = ( 0.1145833 0.0000000 0.1145833), wk = 0.0028409 k( 342) = ( 0.1041667 0.0000000 0.1041667), wk = 0.0028409 k( 343) = ( 0.0937500 0.0000000 0.0937500), wk = 0.0028409 k( 344) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0028409 k( 345) = ( 0.0729167 0.0000000 0.0729167), wk = 0.0028409 k( 346) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0028409 k( 347) = ( 0.0520833 0.0000000 0.0520833), wk = 0.0028409 k( 348) = ( 0.0416667 0.0000000 0.0416667), wk = 0.0028409 k( 349) = ( 0.0312500 0.0000000 0.0312500), wk = 0.0028409 k( 350) = ( 0.0208333 0.0000000 0.0208333), wk = 0.0028409 k( 351) = ( 0.0104167 -0.0000000 0.0104167), wk = 0.0028409 k( 352) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028409 Dense grid: 48927 G-vectors FFT dimensions: ( 48, 48, 50) Smooth grid: 21643 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 126, 34) NL pseudopotentials 0.07 Mb ( 63, 76) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1017) G-vector shells 0.01 Mb ( 975) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.26 Mb ( 126, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.08 Mb ( 76, 2, 34) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./KNO2.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.7 secs Computing kpt #: 2 total cpu time spent up to now is 42.5 secs Computing kpt #: 3 total cpu time spent up to now is 43.3 secs Computing kpt #: 4 total cpu time spent up to now is 44.2 secs Computing kpt #: 5 total cpu time spent up to now is 44.9 secs Computing kpt #: 6 total cpu time spent up to now is 45.6 secs Computing kpt #: 7 total cpu time spent up to now is 46.3 secs Computing kpt #: 8 total cpu time spent up to now is 47.0 secs Computing kpt #: 9 total cpu time spent up to now is 47.7 secs Computing kpt #: 10 total cpu time spent up to now is 48.4 secs Computing kpt #: 11 total cpu time spent up to now is 49.2 secs Computing kpt #: 12 total cpu time spent up to now is 50.0 secs Computing kpt #: 13 total cpu time spent up to now is 50.9 secs Computing kpt #: 14 total cpu time spent up to now is 51.7 secs Computing kpt #: 15 total cpu time spent up to now is 52.7 secs Computing kpt #: 16 total cpu time spent up to now is 53.4 secs Computing kpt #: 17 total cpu time spent up to now is 54.2 secs Computing kpt #: 18 total cpu time spent up to now is 55.0 secs Computing kpt #: 19 total cpu time spent up to now is 55.7 secs Computing kpt #: 20 total cpu time spent up to now is 56.5 secs Computing kpt #: 21 total cpu time spent up to now is 57.3 secs Computing kpt #: 22 total cpu time spent up to now is 58.0 secs Computing kpt #: 23 total cpu time spent up to now is 58.8 secs Computing kpt #: 24 total cpu time spent up to now is 59.6 secs Computing kpt #: 25 total cpu time spent up to now is 60.3 secs Computing kpt #: 26 total cpu time spent up to now is 61.2 secs Computing kpt #: 27 total cpu time spent up to now is 62.0 secs Computing kpt #: 28 total cpu time spent up to now is 62.8 secs Computing kpt #: 29 total cpu time spent up to now is 63.6 secs Computing kpt #: 30 total cpu time spent up to now is 64.5 secs Computing kpt #: 31 total cpu time spent up to now is 65.6 secs Computing kpt #: 32 total cpu time spent up to now is 66.5 secs Computing kpt #: 33 total cpu time spent up to now is 68.0 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 69.8 secs Computing kpt #: 35 total cpu time spent up to now is 71.2 secs Computing kpt #: 36 total cpu time spent up to now is 72.1 secs Computing kpt #: 37 total cpu time spent up to now is 73.0 secs Computing kpt #: 38 total cpu time spent up to now is 74.0 secs Computing kpt #: 39 total cpu time spent up to now is 74.9 secs Computing kpt #: 40 total cpu time spent up to now is 75.7 secs Computing kpt #: 41 total cpu time spent up to now is 76.5 secs Computing kpt #: 42 total cpu time spent up to now is 77.2 secs Computing kpt #: 43 total cpu time spent up to now is 78.0 secs Computing kpt #: 44 total cpu time spent up to now is 78.8 secs Computing kpt #: 45 total cpu time spent up to now is 79.5 secs Computing kpt #: 46 total cpu time spent up to now is 80.3 secs Computing kpt #: 47 total cpu time spent up to now is 81.0 secs Computing kpt #: 48 total cpu time spent up to now is 81.8 secs Computing kpt #: 49 total cpu time spent up to now is 82.5 secs Computing kpt #: 50 total cpu time spent up to now is 83.3 secs Computing kpt #: 51 total cpu time spent up to now is 84.0 secs Computing kpt #: 52 total cpu time spent up to now is 84.8 secs Computing kpt #: 53 total cpu time spent up to now is 85.5 secs Computing kpt #: 54 total cpu time spent up to now is 86.5 secs Computing kpt #: 55 total cpu time spent up to now is 87.3 secs Computing kpt #: 56 total cpu time spent up to now is 88.0 secs Computing kpt #: 57 total cpu time spent up to now is 88.8 secs Computing kpt #: 58 total cpu time spent up to now is 89.8 secs Computing kpt #: 59 total cpu time spent up to now is 90.7 secs Computing kpt #: 60 total cpu time spent up to now is 91.6 secs Computing kpt #: 61 total cpu time spent up to now is 92.6 secs Computing kpt #: 62 total cpu time spent up to now is 93.6 secs Computing kpt #: 63 total cpu time spent up to now is 94.7 secs Computing kpt #: 64 total cpu time spent up to now is 95.8 secs Computing kpt #: 65 total cpu time spent up to now is 97.1 secs Computing kpt #: 66 total cpu time spent up to now is 98.6 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 100.5 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 102.6 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 104.5 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 106.4 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 108.2 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 110.0 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 111.8 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 113.6 secs Computing kpt #: 75 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 116.0 secs Computing kpt #: 76 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 118.0 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 119.7 secs Computing kpt #: 78 total cpu time spent up to now is 121.4 secs Computing kpt #: 79 total cpu time spent up to now is 122.5 secs Computing kpt #: 80 total cpu time spent up to now is 124.0 secs Computing kpt #: 81 total cpu time spent up to now is 125.6 secs Computing kpt #: 82 total cpu time spent up to now is 126.7 secs Computing kpt #: 83 total cpu time spent up to now is 128.2 secs Computing kpt #: 84 total cpu time spent up to now is 129.2 secs Computing kpt #: 85 total cpu time spent up to now is 130.3 secs Computing kpt #: 86 total cpu time spent up to now is 131.4 secs Computing kpt #: 87 total cpu time spent up to now is 132.6 secs Computing kpt #: 88 total cpu time spent up to now is 133.5 secs Computing kpt #: 89 total cpu time spent up to now is 134.5 secs Computing kpt #: 90 total cpu time spent up to now is 135.4 secs Computing kpt #: 91 total cpu time spent up to now is 136.3 secs Computing kpt #: 92 total cpu time spent up to now is 137.2 secs Computing kpt #: 93 total cpu time spent up to now is 138.1 secs Computing kpt #: 94 total cpu time spent up to now is 139.0 secs Computing kpt #: 95 total cpu time spent up to now is 140.0 secs Computing kpt #: 96 total cpu time spent up to now is 140.9 secs Computing kpt #: 97 total cpu time spent up to now is 141.8 secs Computing kpt #: 98 total cpu time spent up to now is 142.7 secs Computing kpt #: 99 total cpu time spent up to now is 143.6 secs Computing kpt #: 100 total cpu time spent up to now is 144.5 secs Computing kpt #: 101 total cpu time spent up to now is 145.3 secs Computing kpt #: 102 total cpu time spent up to now is 146.3 secs Computing kpt #: 103 total cpu time spent up to now is 147.3 secs Computing kpt #: 104 total cpu time spent up to now is 148.4 secs Computing kpt #: 105 total cpu time spent up to now is 149.3 secs Computing kpt #: 106 total cpu time spent up to now is 150.1 secs Computing kpt #: 107 total cpu time spent up to now is 151.0 secs Computing kpt #: 108 total cpu time spent up to now is 151.9 secs Computing kpt #: 109 total cpu time spent up to now is 152.8 secs Computing kpt #: 110 total cpu time spent up to now is 153.6 secs Computing kpt #: 111 total cpu time spent up to now is 154.4 secs Computing kpt #: 112 total cpu time spent up to now is 155.2 secs Computing kpt #: 113 total cpu time spent up to now is 156.0 secs Computing kpt #: 114 total cpu time spent up to now is 156.7 secs Computing kpt #: 115 total cpu time spent up to now is 157.5 secs Computing kpt #: 116 total cpu time spent up to now is 158.3 secs Computing kpt #: 117 total cpu time spent up to now is 159.1 secs Computing kpt #: 118 total cpu time spent up to now is 159.9 secs Computing kpt #: 119 total cpu time spent up to now is 160.6 secs Computing kpt #: 120 total cpu time spent up to now is 161.4 secs Computing kpt #: 121 total cpu time spent up to now is 162.2 secs Computing kpt #: 122 total cpu time spent up to now is 163.0 secs Computing kpt #: 123 total cpu time spent up to now is 164.1 secs Computing kpt #: 124 total cpu time spent up to now is 165.0 secs Computing kpt #: 125 total cpu time spent up to now is 165.8 secs Computing kpt #: 126 total cpu time spent up to now is 166.6 secs Computing kpt #: 127 total cpu time spent up to now is 167.4 secs Computing kpt #: 128 total cpu time spent up to now is 168.1 secs Computing kpt #: 129 total cpu time spent up to now is 169.1 secs Computing kpt #: 130 total cpu time spent up to now is 169.9 secs Computing kpt #: 131 total cpu time spent up to now is 170.7 secs Computing kpt #: 132 total cpu time spent up to now is 171.6 secs Computing kpt #: 133 total cpu time spent up to now is 172.6 secs Computing kpt #: 134 total cpu time spent up to now is 173.5 secs Computing kpt #: 135 total cpu time spent up to now is 174.3 secs Computing kpt #: 136 total cpu time spent up to now is 175.2 secs Computing kpt #: 137 total cpu time spent up to now is 176.1 secs Computing kpt #: 138 total cpu time spent up to now is 177.1 secs Computing kpt #: 139 total cpu time spent up to now is 178.0 secs Computing kpt #: 140 total cpu time spent up to now is 178.8 secs Computing kpt #: 141 total cpu time spent up to now is 179.5 secs Computing kpt #: 142 total cpu time spent up to now is 180.3 secs Computing kpt #: 143 total cpu time spent up to now is 181.1 secs Computing kpt #: 144 total cpu time spent up to now is 181.9 secs Computing kpt #: 145 total cpu time spent up to now is 182.7 secs Computing kpt #: 146 total cpu time spent up to now is 183.4 secs Computing kpt #: 147 total cpu time spent up to now is 184.2 secs Computing kpt #: 148 total cpu time spent up to now is 184.9 secs Computing kpt #: 149 total cpu time spent up to now is 185.6 secs Computing kpt #: 150 total cpu time spent up to now is 186.4 secs Computing kpt #: 151 total cpu time spent up to now is 187.0 secs Computing kpt #: 152 total cpu time spent up to now is 187.7 secs Computing kpt #: 153 total cpu time spent up to now is 188.4 secs Computing kpt #: 154 total cpu time spent up to now is 189.1 secs Computing kpt #: 155 total cpu time spent up to now is 189.8 secs Computing kpt #: 156 total cpu time spent up to now is 190.5 secs Computing kpt #: 157 total cpu time spent up to now is 191.2 secs Computing kpt #: 158 total cpu time spent up to now is 191.9 secs Computing kpt #: 159 total cpu time spent up to now is 192.6 secs Computing kpt #: 160 total cpu time spent up to now is 193.3 secs Computing kpt #: 161 total cpu time spent up to now is 194.2 secs Computing kpt #: 162 total cpu time spent up to now is 194.9 secs Computing kpt #: 163 total cpu time spent up to now is 195.6 secs Computing kpt #: 164 total cpu time spent up to now is 196.4 secs Computing kpt #: 165 total cpu time spent up to now is 197.1 secs Computing kpt #: 166 total cpu time spent up to now is 197.7 secs Computing kpt #: 167 total cpu time spent up to now is 198.4 secs Computing kpt #: 168 total cpu time spent up to now is 199.2 secs Computing kpt #: 169 total cpu time spent up to now is 199.9 secs Computing kpt #: 170 total cpu time spent up to now is 200.6 secs Computing kpt #: 171 total cpu time spent up to now is 201.4 secs Computing kpt #: 172 total cpu time spent up to now is 202.1 secs Computing kpt #: 173 total cpu time spent up to now is 202.8 secs Computing kpt #: 174 total cpu time spent up to now is 203.6 secs Computing kpt #: 175 total cpu time spent up to now is 204.3 secs Computing kpt #: 176 total cpu time spent up to now is 205.1 secs Computing kpt #: 177 total cpu time spent up to now is 205.8 secs Computing kpt #: 178 total cpu time spent up to now is 206.7 secs Computing kpt #: 179 total cpu time spent up to now is 207.5 secs Computing kpt #: 180 total cpu time spent up to now is 208.4 secs Computing kpt #: 181 total cpu time spent up to now is 209.2 secs Computing kpt #: 182 total cpu time spent up to now is 210.0 secs Computing kpt #: 183 total cpu time spent up to now is 211.0 secs Computing kpt #: 184 total cpu time spent up to now is 212.2 secs Computing kpt #: 185 total cpu time spent up to now is 213.4 secs Computing kpt #: 186 total cpu time spent up to now is 214.4 secs Computing kpt #: 187 total cpu time spent up to now is 215.9 secs Computing kpt #: 188 total cpu time spent up to now is 217.0 secs Computing kpt #: 189 total cpu time spent up to now is 218.4 secs Computing kpt #: 190 total cpu time spent up to now is 219.7 secs Computing kpt #: 191 total cpu time spent up to now is 221.3 secs Computing kpt #: 192 total cpu time spent up to now is 222.9 secs Computing kpt #: 193 total cpu time spent up to now is 224.6 secs Computing kpt #: 194 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 226.4 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 228.2 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 230.0 secs Computing kpt #: 197 total cpu time spent up to now is 230.8 secs Computing kpt #: 198 total cpu time spent up to now is 231.5 secs Computing kpt #: 199 total cpu time spent up to now is 232.2 secs Computing kpt #: 200 total cpu time spent up to now is 233.1 secs Computing kpt #: 201 total cpu time spent up to now is 233.8 secs Computing kpt #: 202 total cpu time spent up to now is 234.7 secs Computing kpt #: 203 total cpu time spent up to now is 235.7 secs Computing kpt #: 204 total cpu time spent up to now is 236.6 secs Computing kpt #: 205 total cpu time spent up to now is 237.3 secs Computing kpt #: 206 total cpu time spent up to now is 238.2 secs Computing kpt #: 207 total cpu time spent up to now is 239.0 secs Computing kpt #: 208 total cpu time spent up to now is 239.7 secs Computing kpt #: 209 total cpu time spent up to now is 240.5 secs Computing kpt #: 210 total cpu time spent up to now is 241.4 secs Computing kpt #: 211 total cpu time spent up to now is 242.3 secs Computing kpt #: 212 total cpu time spent up to now is 243.0 secs Computing kpt #: 213 total cpu time spent up to now is 243.8 secs Computing kpt #: 214 total cpu time spent up to now is 244.5 secs Computing kpt #: 215 total cpu time spent up to now is 245.2 secs Computing kpt #: 216 total cpu time spent up to now is 245.9 secs Computing kpt #: 217 total cpu time spent up to now is 246.7 secs Computing kpt #: 218 total cpu time spent up to now is 247.5 secs Computing kpt #: 219 total cpu time spent up to now is 248.2 secs Computing kpt #: 220 total cpu time spent up to now is 248.9 secs Computing kpt #: 221 total cpu time spent up to now is 249.7 secs Computing kpt #: 222 total cpu time spent up to now is 250.4 secs Computing kpt #: 223 total cpu time spent up to now is 251.1 secs Computing kpt #: 224 total cpu time spent up to now is 252.0 secs Computing kpt #: 225 total cpu time spent up to now is 252.8 secs Computing kpt #: 226 total cpu time spent up to now is 253.7 secs Computing kpt #: 227 total cpu time spent up to now is 254.9 secs Computing kpt #: 228 total cpu time spent up to now is 255.9 secs Computing kpt #: 229 total cpu time spent up to now is 256.9 secs Computing kpt #: 230 total cpu time spent up to now is 257.9 secs Computing kpt #: 231 total cpu time spent up to now is 259.2 secs Computing kpt #: 232 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 261.0 secs Computing kpt #: 233 total cpu time spent up to now is 262.2 secs Computing kpt #: 234 total cpu time spent up to now is 263.2 secs Computing kpt #: 235 total cpu time spent up to now is 264.3 secs Computing kpt #: 236 total cpu time spent up to now is 265.1 secs Computing kpt #: 237 total cpu time spent up to now is 266.0 secs Computing kpt #: 238 total cpu time spent up to now is 266.8 secs Computing kpt #: 239 total cpu time spent up to now is 267.6 secs Computing kpt #: 240 total cpu time spent up to now is 268.4 secs Computing kpt #: 241 total cpu time spent up to now is 269.2 secs Computing kpt #: 242 total cpu time spent up to now is 269.9 secs Computing kpt #: 243 total cpu time spent up to now is 270.6 secs Computing kpt #: 244 total cpu time spent up to now is 271.3 secs Computing kpt #: 245 total cpu time spent up to now is 272.1 secs Computing kpt #: 246 total cpu time spent up to now is 272.9 secs Computing kpt #: 247 total cpu time spent up to now is 273.6 secs Computing kpt #: 248 total cpu time spent up to now is 274.3 secs Computing kpt #: 249 total cpu time spent up to now is 275.0 secs Computing kpt #: 250 total cpu time spent up to now is 275.7 secs Computing kpt #: 251 total cpu time spent up to now is 276.3 secs Computing kpt #: 252 total cpu time spent up to now is 277.0 secs Computing kpt #: 253 total cpu time spent up to now is 277.8 secs Computing kpt #: 254 total cpu time spent up to now is 278.6 secs Computing kpt #: 255 total cpu time spent up to now is 279.3 secs Computing kpt #: 256 total cpu time spent up to now is 280.0 secs Computing kpt #: 257 total cpu time spent up to now is 280.6 secs Computing kpt #: 258 total cpu time spent up to now is 281.4 secs Computing kpt #: 259 total cpu time spent up to now is 282.1 secs Computing kpt #: 260 total cpu time spent up to now is 282.8 secs Computing kpt #: 261 total cpu time spent up to now is 283.5 secs Computing kpt #: 262 total cpu time spent up to now is 284.3 secs Computing kpt #: 263 total cpu time spent up to now is 285.1 secs Computing kpt #: 264 total cpu time spent up to now is 285.7 secs Computing kpt #: 265 total cpu time spent up to now is 286.4 secs Computing kpt #: 266 total cpu time spent up to now is 287.2 secs Computing kpt #: 267 total cpu time spent up to now is 287.8 secs Computing kpt #: 268 total cpu time spent up to now is 288.5 secs Computing kpt #: 269 total cpu time spent up to now is 289.2 secs Computing kpt #: 270 total cpu time spent up to now is 289.9 secs Computing kpt #: 271 total cpu time spent up to now is 290.7 secs Computing kpt #: 272 total cpu time spent up to now is 291.5 secs Computing kpt #: 273 total cpu time spent up to now is 292.2 secs Computing kpt #: 274 total cpu time spent up to now is 292.9 secs Computing kpt #: 275 total cpu time spent up to now is 293.6 secs Computing kpt #: 276 total cpu time spent up to now is 294.4 secs Computing kpt #: 277 total cpu time spent up to now is 295.2 secs Computing kpt #: 278 total cpu time spent up to now is 296.1 secs Computing kpt #: 279 total cpu time spent up to now is 296.9 secs Computing kpt #: 280 total cpu time spent up to now is 297.6 secs Computing kpt #: 281 total cpu time spent up to now is 298.4 secs Computing kpt #: 282 total cpu time spent up to now is 299.2 secs Computing kpt #: 283 total cpu time spent up to now is 300.0 secs Computing kpt #: 284 total cpu time spent up to now is 300.8 secs Computing kpt #: 285 total cpu time spent up to now is 301.7 secs Computing kpt #: 286 total cpu time spent up to now is 302.5 secs Computing kpt #: 287 total cpu time spent up to now is 303.3 secs Computing kpt #: 288 total cpu time spent up to now is 304.1 secs Computing kpt #: 289 total cpu time spent up to now is 305.0 secs Computing kpt #: 290 total cpu time spent up to now is 305.7 secs Computing kpt #: 291 total cpu time spent up to now is 306.5 secs Computing kpt #: 292 total cpu time spent up to now is 307.3 secs Computing kpt #: 293 total cpu time spent up to now is 308.4 secs Computing kpt #: 294 total cpu time spent up to now is 309.3 secs Computing kpt #: 295 total cpu time spent up to now is 310.3 secs Computing kpt #: 296 total cpu time spent up to now is 311.2 secs Computing kpt #: 297 total cpu time spent up to now is 312.1 secs Computing kpt #: 298 total cpu time spent up to now is 312.8 secs Computing kpt #: 299 total cpu time spent up to now is 313.7 secs Computing kpt #: 300 total cpu time spent up to now is 314.6 secs Computing kpt #: 301 total cpu time spent up to now is 315.7 secs Computing kpt #: 302 total cpu time spent up to now is 316.8 secs Computing kpt #: 303 total cpu time spent up to now is 317.8 secs Computing kpt #: 304 total cpu time spent up to now is 318.5 secs Computing kpt #: 305 total cpu time spent up to now is 319.2 secs Computing kpt #: 306 total cpu time spent up to now is 320.0 secs Computing kpt #: 307 total cpu time spent up to now is 320.7 secs Computing kpt #: 308 total cpu time spent up to now is 321.4 secs Computing kpt #: 309 total cpu time spent up to now is 322.0 secs Computing kpt #: 310 total cpu time spent up to now is 322.7 secs Computing kpt #: 311 total cpu time spent up to now is 323.5 secs Computing kpt #: 312 total cpu time spent up to now is 324.1 secs Computing kpt #: 313 total cpu time spent up to now is 324.9 secs Computing kpt #: 314 total cpu time spent up to now is 325.7 secs Computing kpt #: 315 total cpu time spent up to now is 326.4 secs Computing kpt #: 316 total cpu time spent up to now is 327.3 secs Computing kpt #: 317 total cpu time spent up to now is 328.0 secs Computing kpt #: 318 total cpu time spent up to now is 328.7 secs Computing kpt #: 319 total cpu time spent up to now is 329.5 secs Computing kpt #: 320 total cpu time spent up to now is 330.2 secs Computing kpt #: 321 total cpu time spent up to now is 331.0 secs Computing kpt #: 322 total cpu time spent up to now is 331.9 secs Computing kpt #: 323 total cpu time spent up to now is 332.7 secs Computing kpt #: 324 total cpu time spent up to now is 333.5 secs Computing kpt #: 325 total cpu time spent up to now is 334.3 secs Computing kpt #: 326 total cpu time spent up to now is 335.1 secs Computing kpt #: 327 total cpu time spent up to now is 335.9 secs Computing kpt #: 328 total cpu time spent up to now is 336.8 secs Computing kpt #: 329 total cpu time spent up to now is 337.7 secs Computing kpt #: 330 total cpu time spent up to now is 338.5 secs Computing kpt #: 331 total cpu time spent up to now is 339.2 secs Computing kpt #: 332 total cpu time spent up to now is 340.0 secs Computing kpt #: 333 total cpu time spent up to now is 340.9 secs Computing kpt #: 334 total cpu time spent up to now is 341.7 secs Computing kpt #: 335 total cpu time spent up to now is 342.4 secs Computing kpt #: 336 total cpu time spent up to now is 343.5 secs Computing kpt #: 337 total cpu time spent up to now is 344.4 secs Computing kpt #: 338 total cpu time spent up to now is 345.2 secs Computing kpt #: 339 total cpu time spent up to now is 346.0 secs Computing kpt #: 340 total cpu time spent up to now is 346.7 secs Computing kpt #: 341 total cpu time spent up to now is 347.5 secs Computing kpt #: 342 total cpu time spent up to now is 348.2 secs Computing kpt #: 343 total cpu time spent up to now is 349.0 secs Computing kpt #: 344 total cpu time spent up to now is 349.7 secs Computing kpt #: 345 total cpu time spent up to now is 350.5 secs Computing kpt #: 346 total cpu time spent up to now is 351.3 secs Computing kpt #: 347 total cpu time spent up to now is 352.0 secs Computing kpt #: 348 total cpu time spent up to now is 352.7 secs Computing kpt #: 349 total cpu time spent up to now is 353.4 secs Computing kpt #: 350 total cpu time spent up to now is 354.1 secs Computing kpt #: 351 total cpu time spent up to now is 354.9 secs Computing kpt #: 352 total cpu time spent up to now is 355.6 secs ethr = 3.85E-11, avg # of iterations = 42.6 total cpu time spent up to now is 355.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2695 PWs) bands (ev): -26.5838 -26.5838 -26.1772 -26.1772 -21.2723 -21.2723 -10.1892 -10.1892 -9.9422 -9.9422 -9.9008 -9.9008 -7.0609 -7.0609 -6.8495 -6.8495 -6.1430 -6.1430 -5.1576 -5.1576 -0.9302 -0.9302 0.3285 0.3285 3.1001 3.1001 6.6716 6.6716 7.3710 7.3710 10.0741 10.0741 10.1782 10.1782 k = 0.0104 0.0071-0.0058 ( 2691 PWs) bands (ev): -26.5838 -26.5838 -26.1773 -26.1773 -21.2723 -21.2723 -10.1897 -10.1889 -9.9425 -9.9420 -9.9016 -9.9001 -7.0609 -7.0609 -6.8496 -6.8494 -6.1432 -6.1431 -5.1575 -5.1575 -0.9302 -0.9301 0.3287 0.3287 3.1016 3.1016 6.6724 6.6725 7.3709 7.3711 10.0718 10.0719 10.1786 10.1786 k = 0.0208 0.0142-0.0117 ( 2692 PWs) bands (ev): -26.5836 -26.5836 -26.1774 -26.1774 -21.2723 -21.2723 -10.1902 -10.1887 -9.9430 -9.9418 -9.9025 -9.8995 -7.0611 -7.0610 -6.8499 -6.8494 -6.1437 -6.1436 -5.1573 -5.1573 -0.9299 -0.9299 0.3293 0.3293 3.1059 3.1060 6.6747 6.6750 7.3706 7.3710 10.0651 10.0652 10.1797 10.1798 k = 0.0312 0.0213-0.0175 ( 2692 PWs) bands (ev): -26.5832 -26.5832 -26.1777 -26.1777 -21.2724 -21.2724 -10.1908 -10.1885 -9.9435 -9.9419 -9.9034 -9.8990 -7.0614 -7.0613 -6.8502 -6.8495 -6.1446 -6.1444 -5.1569 -5.1569 -0.9295 -0.9294 0.3302 0.3303 3.1132 3.1133 6.6785 6.6790 7.3702 7.3708 10.0540 10.0541 10.1817 10.1818 k = 0.0417 0.0284-0.0233 ( 2694 PWs) bands (ev): -26.5828 -26.5828 -26.1781 -26.1781 -21.2725 -21.2725 -10.1916 -10.1885 -9.9442 -9.9420 -9.9044 -9.8986 -7.0618 -7.0617 -6.8505 -6.8497 -6.1458 -6.1455 -5.1564 -5.1564 -0.9289 -0.9288 0.3316 0.3317 3.1232 3.1233 6.6839 6.6846 7.3697 7.3705 10.0385 10.0387 10.1845 10.1846 k = 0.0521 0.0356-0.0292 ( 2692 PWs) bands (ev): -26.5822 -26.5822 -26.1785 -26.1785 -21.2726 -21.2726 -10.1924 -10.1885 -9.9450 -9.9422 -9.9055 -9.8982 -7.0622 -7.0621 -6.8510 -6.8500 -6.1474 -6.1469 -5.1557 -5.1557 -0.9282 -0.9280 0.3334 0.3334 3.1361 3.1362 6.6909 6.6917 7.3691 7.3701 10.0187 10.0189 10.1882 10.1882 k = 0.0625 0.0427-0.0350 ( 2694 PWs) bands (ev): -26.5815 -26.5815 -26.1791 -26.1791 -21.2728 -21.2728 -10.1933 -10.1887 -9.9459 -9.9426 -9.9066 -9.8980 -7.0628 -7.0626 -6.8516 -6.8503 -6.1492 -6.1486 -5.1548 -5.1548 -0.9273 -0.9271 0.3355 0.3356 3.1515 3.1517 6.6994 6.7004 7.3683 7.3695 9.9947 9.9950 10.1927 10.1928 k = 0.0729 0.0498-0.0408 ( 2694 PWs) bands (ev): -26.5807 -26.5807 -26.1798 -26.1798 -21.2729 -21.2729 -10.1943 -10.1890 -9.9469 -9.9431 -9.9078 -9.8979 -7.0634 -7.0632 -6.8522 -6.8507 -6.1512 -6.1506 -5.1539 -5.1538 -0.9262 -0.9260 0.3380 0.3381 3.1696 3.1698 6.7094 6.7105 7.3675 7.3690 9.9668 9.9671 10.1981 10.1982 k = 0.0833 0.0569-0.0467 ( 2694 PWs) bands (ev): -26.5797 -26.5797 -26.1806 -26.1806 -21.2731 -21.2731 -10.1954 -10.1894 -9.9480 -9.9438 -9.9091 -9.8979 -7.0641 -7.0639 -6.8528 -6.8512 -6.1536 -6.1529 -5.1527 -5.1527 -0.9250 -0.9248 0.3409 0.3410 3.1901 3.1903 6.7208 6.7221 7.3667 7.3684 9.9352 9.9355 10.2046 10.2047 k = 0.0938 0.0640-0.0525 ( 2700 PWs) bands (ev): -26.5786 -26.5786 -26.1814 -26.1814 -21.2734 -21.2734 -10.1966 -10.1899 -9.9492 -9.9447 -9.9104 -9.8980 -7.0648 -7.0645 -6.8535 -6.8517 -6.1561 -6.1553 -5.1515 -5.1514 -0.9236 -0.9234 0.3440 0.3442 3.2129 3.2132 6.7337 6.7352 7.3659 7.3677 9.9000 9.9003 10.2120 10.2121 k = 0.1042 0.0711-0.0584 ( 2702 PWs) bands (ev): -26.5775 -26.5775 -26.1824 -26.1824 -21.2736 -21.2736 -10.1978 -10.1905 -9.9505 -9.9457 -9.9117 -9.8982 -7.0655 -7.0652 -6.8543 -6.8523 -6.1588 -6.1580 -5.1501 -5.1501 -0.9221 -0.9219 0.3476 0.3477 3.2379 3.2381 6.7479 6.7496 7.3651 7.3671 9.8617 9.8620 10.2205 10.2207 k = 0.1146 0.0782-0.0642 ( 2702 PWs) bands (ev): -26.5762 -26.5762 -26.1834 -26.1834 -21.2739 -21.2739 -10.1992 -10.1912 -9.9520 -9.9468 -9.9131 -9.8985 -7.0662 -7.0659 -6.8551 -6.8530 -6.1616 -6.1607 -5.1486 -5.1485 -0.9205 -0.9203 0.3514 0.3515 3.2648 3.2651 6.7635 6.7654 7.3643 7.3666 9.8206 9.8208 10.2302 10.2303 k = 0.1250 0.0853-0.0700 ( 2698 PWs) bands (ev): -26.5748 -26.5748 -26.1846 -26.1846 -21.2742 -21.2742 -10.2006 -10.1921 -9.9536 -9.9482 -9.9144 -9.8990 -7.0669 -7.0665 -6.8559 -6.8537 -6.1646 -6.1636 -5.1470 -5.1469 -0.9187 -0.9185 0.3555 0.3557 3.2935 3.2939 6.7804 6.7825 7.3636 7.3662 9.7769 9.7772 10.2411 10.2412 k = 0.1354 0.0924-0.0759 ( 2698 PWs) bands (ev): -26.5733 -26.5733 -26.1858 -26.1858 -21.2745 -21.2745 -10.2022 -10.1931 -9.9552 -9.9497 -9.9158 -9.8996 -7.0675 -7.0671 -6.8568 -6.8544 -6.1676 -6.1666 -5.1453 -5.1452 -0.9169 -0.9166 0.3599 0.3601 3.3239 3.3242 6.7985 6.8007 7.3631 7.3659 9.7312 9.7314 10.2532 10.2534 k = 0.1458 0.0995-0.0817 ( 2701 PWs) bands (ev): -26.5717 -26.5717 -26.1870 -26.1870 -21.2749 -21.2749 -10.2038 -10.1942 -9.9570 -9.9515 -9.9173 -9.9003 -7.0681 -7.0677 -6.8576 -6.8552 -6.1707 -6.1696 -5.1435 -5.1434 -0.9149 -0.9146 0.3646 0.3647 3.3556 3.3560 6.8177 6.8202 7.3627 7.3657 9.6837 9.6839 10.2667 10.2669 k = 0.1562 0.1067-0.0875 ( 2701 PWs) bands (ev): -26.5701 -26.5701 -26.1884 -26.1884 -21.2752 -21.2752 -10.2056 -10.1954 -9.9590 -9.9534 -9.9187 -9.9011 -7.0686 -7.0681 -6.8585 -6.8559 -6.1738 -6.1727 -5.1416 -5.1415 -0.9129 -0.9125 0.3695 0.3696 3.3885 3.3889 6.8381 6.8408 7.3625 7.3658 9.6349 9.6351 10.2816 10.2819 k = 0.1667 0.1138-0.0934 ( 2703 PWs) bands (ev): -26.5683 -26.5683 -26.1898 -26.1898 -21.2756 -21.2756 -10.2074 -10.1967 -9.9610 -9.9556 -9.9201 -9.9021 -7.0690 -7.0684 -6.8594 -6.8568 -6.1769 -6.1758 -5.1396 -5.1395 -0.9107 -0.9104 0.3746 0.3748 3.4223 3.4227 6.8595 6.8624 7.3627 7.3663 9.5850 9.5852 10.2980 10.2983 k = 0.1771 0.1209-0.0992 ( 2705 PWs) bands (ev): -26.5665 -26.5665 -26.1913 -26.1912 -21.2760 -21.2760 -10.2093 -10.1982 -9.9631 -9.9579 -9.9215 -9.9032 -7.0692 -7.0686 -6.8603 -6.8576 -6.1799 -6.1788 -5.1375 -5.1374 -0.9085 -0.9082 0.3799 0.3801 3.4569 3.4573 6.8818 6.8850 7.3632 7.3670 9.5345 9.5346 10.3160 10.3163 k = 0.1875 0.1280-0.1050 ( 2705 PWs) bands (ev): -26.5646 -26.5646 -26.1928 -26.1928 -21.2764 -21.2764 -10.2113 -10.1998 -9.9654 -9.9605 -9.9229 -9.9045 -7.0693 -7.0686 -6.8611 -6.8584 -6.1829 -6.1817 -5.1354 -5.1353 -0.9062 -0.9059 0.3853 0.3856 3.4919 3.4924 6.9050 6.9084 7.3642 7.3683 9.4836 9.4837 10.3357 10.3360 k = 0.1979 0.1351-0.1109 ( 2711 PWs) bands (ev): -26.5627 -26.5627 -26.1943 -26.1943 -21.2768 -21.2768 -10.2134 -10.2015 -9.9677 -9.9632 -9.9244 -9.9059 -7.0692 -7.0685 -6.8620 -6.8592 -6.1858 -6.1846 -5.1333 -5.1332 -0.9039 -0.9036 0.3909 0.3912 3.5272 3.5277 6.9289 6.9325 7.3657 7.3700 9.4326 9.4328 10.3570 10.3573 k = 0.2083 0.1422-0.1167 ( 2713 PWs) bands (ev): -26.5608 -26.5608 -26.1959 -26.1959 -21.2772 -21.2772 -10.2155 -10.2034 -9.9702 -9.9660 -9.9258 -9.9074 -7.0689 -7.0682 -6.8628 -6.8600 -6.1886 -6.1874 -5.1311 -5.1310 -0.9016 -0.9012 0.3967 0.3969 3.5626 3.5630 6.9534 6.9573 7.3678 7.3723 9.3820 9.3821 10.3801 10.3805 k = 0.2188 0.1493-0.1225 ( 2713 PWs) bands (ev): -26.5587 -26.5587 -26.1975 -26.1975 -21.2776 -21.2776 -10.2177 -10.2053 -9.9727 -9.9690 -9.9272 -9.9090 -7.0685 -7.0677 -6.8636 -6.8608 -6.1912 -6.1900 -5.1288 -5.1287 -0.8992 -0.8988 0.4025 0.4027 3.5977 3.5982 6.9784 6.9825 7.3706 7.3754 9.3318 9.3320 10.4052 10.4055 k = 0.2292 0.1564-0.1284 ( 2715 PWs) bands (ev): -26.5567 -26.5567 -26.1992 -26.1992 -21.2780 -21.2780 -10.2200 -10.2074 -9.9754 -9.9722 -9.9287 -9.9107 -7.0678 -7.0670 -6.8644 -6.8616 -6.1937 -6.1925 -5.1266 -5.1265 -0.8968 -0.8964 0.4084 0.4086 3.6323 3.6328 7.0037 7.0080 7.3743 7.3794 9.2824 9.2826 10.4321 10.4324 k = 0.2396 0.1635-0.1342 ( 2715 PWs) bands (ev): -26.5546 -26.5546 -26.2008 -26.2008 -21.2785 -21.2785 -10.2223 -10.2096 -9.9781 -9.9754 -9.9301 -9.9125 -7.0670 -7.0661 -6.8651 -6.8623 -6.1961 -6.1949 -5.1243 -5.1242 -0.8944 -0.8940 0.4144 0.4146 3.6664 3.6669 7.0291 7.0336 7.3790 7.3843 9.2340 9.2343 10.4610 10.4614 k = 0.2500 0.1707-0.1401 ( 2714 PWs) bands (ev): -26.5525 -26.5525 -26.2025 -26.2025 -21.2789 -21.2789 -10.2247 -10.2118 -9.9809 -9.9788 -9.9315 -9.9144 -7.0659 -7.0650 -6.8658 -6.8630 -6.1982 -6.1971 -5.1220 -5.1219 -0.8920 -0.8916 0.4203 0.4206 3.6995 3.7000 7.0543 7.0590 7.3850 7.3905 9.1868 9.1871 10.4920 10.4923 k = 0.2604 0.1778-0.1459 ( 2714 PWs) bands (ev): -26.5504 -26.5504 -26.2042 -26.2042 -21.2793 -21.2793 -10.2271 -10.2142 -9.9838 -9.9822 -9.9330 -9.9163 -7.0646 -7.0638 -6.8664 -6.8637 -6.2003 -6.1991 -5.1198 -5.1197 -0.8896 -0.8892 0.4263 0.4265 3.7316 3.7322 7.0791 7.0840 7.3923 7.3979 9.1410 9.1414 10.5250 10.5254 k = 0.2708 0.1849-0.1517 ( 2714 PWs) bands (ev): -26.5484 -26.5484 -26.2059 -26.2059 -21.2797 -21.2797 -10.2296 -10.2167 -9.9867 -9.9857 -9.9344 -9.9183 -7.0632 -7.0623 -6.8670 -6.8644 -6.2021 -6.2010 -5.1175 -5.1174 -0.8872 -0.8868 0.4322 0.4324 3.7625 3.7631 7.1033 7.1083 7.4013 7.4069 9.0968 9.0972 10.5602 10.5606 k = 0.2812 0.1920-0.1576 ( 2716 PWs) bands (ev): -26.5463 -26.5463 -26.2075 -26.2075 -21.2802 -21.2802 -10.2321 -10.2192 -9.9896 -9.9892 -9.9358 -9.9204 -7.0615 -7.0606 -6.8675 -6.8650 -6.2037 -6.2027 -5.1153 -5.1152 -0.8849 -0.8845 0.4381 0.4383 3.7921 3.7926 7.1265 7.1315 7.4120 7.4176 9.0543 9.0548 10.5976 10.5980 k = 0.2917 0.1991-0.1634 ( 2716 PWs) bands (ev): -26.5442 -26.5442 -26.2092 -26.2092 -21.2806 -21.2806 -10.2346 -10.2218 -9.9928 -9.9926 -9.9371 -9.9224 -7.0597 -7.0588 -6.8680 -6.8655 -6.2052 -6.2041 -5.1131 -5.1130 -0.8826 -0.8822 0.4439 0.4441 3.8201 3.8206 7.1484 7.1534 7.4247 7.4302 9.0137 9.0142 10.6372 10.6377 k = 0.3021 0.2062-0.1692 ( 2712 PWs) bands (ev): -26.5422 -26.5422 -26.2108 -26.2108 -21.2810 -21.2810 -10.2371 -10.2245 -9.9963 -9.9956 -9.9385 -9.9245 -7.0577 -7.0568 -6.8685 -6.8661 -6.2064 -6.2055 -5.1110 -5.1109 -0.8803 -0.8800 0.4496 0.4498 3.8465 3.8470 7.1688 7.1736 7.4395 7.4448 8.9750 8.9757 10.6791 10.6796 k = 0.3125 0.2133-0.1751 ( 2708 PWs) bands (ev): -26.5402 -26.5402 -26.2124 -26.2124 -21.2814 -21.2814 -10.2395 -10.2272 -9.9998 -9.9986 -9.9398 -9.9266 -7.0556 -7.0547 -6.8689 -6.8666 -6.2075 -6.2066 -5.1089 -5.1088 -0.8782 -0.8778 0.4551 0.4553 3.8713 3.8718 7.1876 7.1921 7.4564 7.4613 8.9385 8.9393 10.7232 10.7237 k = 0.3229 0.2204-0.1809 ( 2706 PWs) bands (ev): -26.5383 -26.5383 -26.2139 -26.2139 -21.2818 -21.2818 -10.2420 -10.2300 -10.0032 -10.0016 -9.9411 -9.9286 -7.0534 -7.0525 -6.8692 -6.8670 -6.2085 -6.2076 -5.1069 -5.1068 -0.8761 -0.8757 0.4605 0.4607 3.8943 3.8948 7.2045 7.2087 7.4751 7.4796 8.9042 8.9051 10.7697 10.7702 k = 0.3333 0.2275-0.1867 ( 2704 PWs) bands (ev): -26.5364 -26.5364 -26.2154 -26.2154 -21.2822 -21.2822 -10.2444 -10.2327 -10.0065 -10.0046 -9.9423 -9.9306 -7.0511 -7.0503 -6.8695 -6.8675 -6.2092 -6.2084 -5.1050 -5.1049 -0.8740 -0.8737 0.4657 0.4659 3.9156 3.9160 7.2198 7.2235 7.4956 7.4996 8.8722 8.8732 10.8184 10.8189 k = 0.3438 0.2347-0.1926 ( 2706 PWs) bands (ev): -26.5346 -26.5346 -26.2169 -26.2169 -21.2825 -21.2825 -10.2467 -10.2355 -10.0097 -10.0075 -9.9435 -9.9326 -7.0488 -7.0479 -6.8698 -6.8678 -6.2099 -6.2091 -5.1031 -5.1030 -0.8721 -0.8718 0.4707 0.4709 3.9350 3.9355 7.2334 7.2367 7.5174 7.5208 8.8426 8.8437 10.8646 10.8652 k = 0.3542 0.2418-0.1984 ( 2702 PWs) bands (ev): -26.5328 -26.5328 -26.2183 -26.2183 -21.2829 -21.2829 -10.2490 -10.2382 -10.0128 -10.0103 -9.9446 -9.9345 -7.0464 -7.0456 -6.8700 -6.8682 -6.2103 -6.2096 -5.1013 -5.1012 -0.8703 -0.8700 0.4755 0.4757 3.9527 3.9531 7.2454 7.2483 7.5399 7.5428 8.8154 8.8166 10.8618 10.8624 k = 0.3646 0.2489-0.2042 ( 2700 PWs) bands (ev): -26.5312 -26.5312 -26.2196 -26.2196 -21.2832 -21.2832 -10.2512 -10.2409 -10.0157 -10.0131 -9.9456 -9.9363 -7.0440 -7.0432 -6.8702 -6.8685 -6.2107 -6.2100 -5.0996 -5.0995 -0.8685 -0.8682 0.4801 0.4803 3.9687 3.9691 7.2562 7.2587 7.5629 7.5653 8.7906 8.7919 10.8590 10.8595 k = 0.3750 0.2560-0.2101 ( 2699 PWs) bands (ev): -26.5296 -26.5296 -26.2209 -26.2209 -21.2835 -21.2835 -10.2533 -10.2436 -10.0185 -10.0158 -9.9466 -9.9381 -7.0417 -7.0409 -6.8704 -6.8688 -6.2109 -6.2103 -5.0980 -5.0979 -0.8669 -0.8666 0.4844 0.4846 3.9830 3.9833 7.2658 7.2679 7.5858 7.5876 8.7683 8.7696 10.8571 10.8576 k = 0.3854 0.2631-0.2159 ( 2697 PWs) bands (ev): -26.5281 -26.5281 -26.2220 -26.2220 -21.2838 -21.2838 -10.2552 -10.2462 -10.0211 -10.0183 -9.9475 -9.9398 -7.0394 -7.0386 -6.8705 -6.8690 -6.2111 -6.2105 -5.0965 -5.0965 -0.8654 -0.8651 0.4884 0.4886 3.9957 3.9960 7.2743 7.2761 7.6082 7.6096 8.7484 8.7498 10.8561 10.8566 k = 0.3958 0.2702-0.2218 ( 2701 PWs) bands (ev): -26.5267 -26.5267 -26.2232 -26.2232 -21.2841 -21.2841 -10.2571 -10.2487 -10.0235 -10.0207 -9.9483 -9.9413 -7.0371 -7.0365 -6.8706 -6.8692 -6.2111 -6.2106 -5.0952 -5.0951 -0.8639 -0.8637 0.4922 0.4923 4.0068 4.0071 7.2820 7.2834 7.6296 7.6306 8.7309 8.7323 10.8561 10.8566 k = 0.4062 0.2773-0.2276 ( 2705 PWs) bands (ev): -26.5255 -26.5255 -26.2242 -26.2242 -21.2843 -21.2843 -10.2587 -10.2510 -10.0257 -10.0230 -9.9491 -9.9428 -7.0351 -7.0344 -6.8706 -6.8695 -6.2111 -6.2107 -5.0939 -5.0939 -0.8627 -0.8624 0.4956 0.4957 4.0165 4.0167 7.2888 7.2900 7.6498 7.6505 8.7157 8.7171 10.8570 10.8575 k = 0.4167 0.2844-0.2334 ( 2706 PWs) bands (ev): -26.5243 -26.5243 -26.2251 -26.2251 -21.2846 -21.2846 -10.2602 -10.2533 -10.0276 -10.0251 -9.9497 -9.9442 -7.0331 -7.0325 -6.8707 -6.8696 -6.2111 -6.2107 -5.0928 -5.0927 -0.8615 -0.8613 0.4987 0.4988 4.0248 4.0251 7.2948 7.2958 7.6684 7.6688 8.7028 8.7042 10.8587 10.8593 k = 0.4271 0.2915-0.2393 ( 2708 PWs) bands (ev): -26.5233 -26.5233 -26.2259 -26.2259 -21.2848 -21.2848 -10.2615 -10.2554 -10.0293 -10.0270 -9.9502 -9.9454 -7.0313 -7.0308 -6.8707 -6.8698 -6.2110 -6.2107 -5.0918 -5.0917 -0.8605 -0.8603 0.5014 0.5015 4.0319 4.0321 7.3002 7.3010 7.6852 7.6854 8.6919 8.6932 10.8612 10.8616 k = 0.4375 0.2986-0.2451 ( 2704 PWs) bands (ev): -26.5224 -26.5224 -26.2266 -26.2266 -21.2849 -21.2849 -10.2626 -10.2573 -10.0308 -10.0287 -9.9506 -9.9466 -7.0297 -7.0292 -6.8707 -6.8699 -6.2109 -6.2106 -5.0909 -5.0908 -0.8595 -0.8594 0.5039 0.5039 4.0378 4.0380 7.3048 7.3054 7.7000 7.7001 8.6830 8.6843 10.8640 10.8645 k = 0.4479 0.3058-0.2509 ( 2710 PWs) bands (ev): -26.5217 -26.5217 -26.2272 -26.2272 -21.2851 -21.2851 -10.2635 -10.2590 -10.0320 -10.0302 -9.9510 -9.9476 -7.0283 -7.0279 -6.8707 -6.8701 -6.2108 -6.2106 -5.0901 -5.0901 -0.8588 -0.8587 0.5059 0.5060 4.0427 4.0428 7.3088 7.3092 7.7126 7.7127 8.6759 8.6770 10.8672 10.8676 k = 0.4583 0.3129-0.2568 ( 2707 PWs) bands (ev): -26.5210 -26.5210 -26.2278 -26.2278 -21.2852 -21.2852 -10.2641 -10.2605 -10.0330 -10.0315 -9.9512 -9.9485 -7.0271 -7.0268 -6.8707 -6.8702 -6.2107 -6.2105 -5.0895 -5.0895 -0.8582 -0.8581 0.5076 0.5077 4.0465 4.0466 7.3120 7.3124 7.7230 7.7231 8.6704 8.6714 10.8703 10.8706 k = 0.4688 0.3200-0.2626 ( 2709 PWs) bands (ev): -26.5205 -26.5205 -26.2282 -26.2282 -21.2853 -21.2853 -10.2645 -10.2618 -10.0337 -10.0326 -9.9513 -9.9493 -7.0262 -7.0259 -6.8707 -6.8703 -6.2106 -6.2104 -5.0890 -5.0890 -0.8577 -0.8576 0.5090 0.5090 4.0494 4.0495 7.3145 7.3148 7.7312 7.7313 8.6664 8.6671 10.8731 10.8733 k = 0.4792 0.3271-0.2684 ( 2705 PWs) bands (ev): -26.5202 -26.5202 -26.2284 -26.2284 -21.2854 -21.2854 -10.2647 -10.2628 -10.0342 -10.0334 -9.9512 -9.9499 -7.0255 -7.0253 -6.8706 -6.8704 -6.2105 -6.2104 -5.0887 -5.0886 -0.8573 -0.8572 0.5099 0.5100 4.0515 4.0516 7.3164 7.3165 7.7370 7.7371 8.6637 8.6642 10.8753 10.8755 k = 0.4896 0.3342-0.2743 ( 2705 PWs) bands (ev): -26.5199 -26.5199 -26.2286 -26.2286 -21.2854 -21.2854 -10.2646 -10.2637 -10.0343 -10.0340 -9.9511 -9.9504 -7.0250 -7.0250 -6.8706 -6.8705 -6.2104 -6.2104 -5.0884 -5.0884 -0.8571 -0.8570 0.5105 0.5105 4.0527 4.0528 7.3175 7.3176 7.7406 7.7406 8.6622 8.6624 10.8767 10.8768 k = 0.5000 0.3413-0.2801 ( 2704 PWs) bands (ev): -26.5199 -26.5199 -26.2287 -26.2287 -21.2854 -21.2854 -10.2642 -10.2642 -10.0343 -10.0343 -9.9508 -9.9508 -7.0249 -7.0249 -6.8705 -6.8705 -6.2104 -6.2104 -5.0884 -5.0884 -0.8570 -0.8570 0.5107 0.5107 4.0532 4.0532 7.3179 7.3179 7.7417 7.7417 8.6617 8.6617 10.8773 10.8773 k = 0.5000 0.3413-0.2801 ( 2704 PWs) bands (ev): -26.5199 -26.5199 -26.2287 -26.2287 -21.2854 -21.2854 -10.2642 -10.2642 -10.0343 -10.0343 -9.9508 -9.9508 -7.0249 -7.0249 -6.8705 -6.8705 -6.2104 -6.2104 -5.0884 -5.0884 -0.8570 -0.8570 0.5107 0.5107 4.0532 4.0532 7.3179 7.3179 7.7417 7.7417 8.6617 8.6617 10.8773 10.8773 k = 0.5049 0.3446-0.2674 ( 2701 PWs) bands (ev): -26.5198 -26.5198 -26.2287 -26.2287 -21.2854 -21.2854 -10.2649 -10.2637 -10.0346 -10.0340 -9.9514 -9.9505 -7.0251 -7.0243 -6.8710 -6.8707 -6.2101 -6.2099 -5.0885 -5.0885 -0.8568 -0.8567 0.5105 0.5106 4.0533 4.0534 7.3165 7.3169 7.7425 7.7425 8.6619 8.6621 10.8793 10.8795 k = 0.5097 0.3480-0.2546 ( 2704 PWs) bands (ev): -26.5196 -26.5196 -26.2289 -26.2289 -21.2854 -21.2854 -10.2656 -10.2632 -10.0348 -10.0337 -9.9525 -9.9506 -7.0250 -7.0234 -6.8720 -6.8715 -6.2090 -6.2087 -5.0889 -5.0889 -0.8561 -0.8560 0.5100 0.5101 4.0537 4.0539 7.3128 7.3136 7.7449 7.7449 8.6625 8.6630 10.8856 10.8861 k = 0.5146 0.3513-0.2419 ( 2706 PWs) bands (ev): -26.5193 -26.5193 -26.2292 -26.2292 -21.2853 -21.2853 -10.2663 -10.2627 -10.0351 -10.0335 -9.9539 -9.9511 -7.0246 -7.0223 -6.8736 -6.8728 -6.2072 -6.2067 -5.0895 -5.0895 -0.8550 -0.8547 0.5091 0.5094 4.0545 4.0548 7.3068 7.3080 7.7487 7.7488 8.6637 8.6645 10.8962 10.8968 k = 0.5195 0.3546-0.2291 ( 2706 PWs) bands (ev): -26.5189 -26.5189 -26.2296 -26.2296 -21.2853 -21.2853 -10.2671 -10.2623 -10.0354 -10.0332 -9.9556 -9.9519 -7.0238 -7.0208 -6.8757 -6.8747 -6.2047 -6.2040 -5.0905 -5.0904 -0.8534 -0.8531 0.5079 0.5083 4.0556 4.0560 7.2986 7.3002 7.7541 7.7542 8.6655 8.6665 10.9109 10.9118 k = 0.5244 0.3579-0.2164 ( 2709 PWs) bands (ev): -26.5184 -26.5184 -26.2301 -26.2301 -21.2852 -21.2852 -10.2679 -10.2620 -10.0357 -10.0330 -9.9575 -9.9530 -7.0228 -7.0190 -6.8784 -6.8771 -6.2014 -6.2006 -5.0916 -5.0915 -0.8514 -0.8510 0.5064 0.5068 4.0569 4.0574 7.2882 7.2902 7.7610 7.7611 8.6678 8.6690 10.9299 10.9310 k = 0.5292 0.3613-0.2036 ( 2710 PWs) bands (ev): -26.5178 -26.5178 -26.2307 -26.2307 -21.2851 -21.2851 -10.2688 -10.2618 -10.0361 -10.0328 -9.9598 -9.9545 -7.0215 -7.0170 -6.8816 -6.8801 -6.1975 -6.1966 -5.0930 -5.0929 -0.8490 -0.8484 0.5046 0.5051 4.0585 4.0591 7.2758 7.2781 7.7693 7.7694 8.6707 8.6720 10.9528 10.9541 k = 0.5341 0.3646-0.1909 ( 2710 PWs) bands (ev): -26.5171 -26.5171 -26.2314 -26.2314 -21.2850 -21.2850 -10.2697 -10.2616 -10.0365 -10.0326 -9.9623 -9.9562 -7.0200 -7.0148 -6.8852 -6.8835 -6.1930 -6.1919 -5.0946 -5.0945 -0.8461 -0.8455 0.5025 0.5031 4.0603 4.0610 7.2615 7.2641 7.7790 7.7791 8.6742 8.6757 10.9797 10.9812 k = 0.5390 0.3679-0.1781 ( 2712 PWs) bands (ev): -26.5162 -26.5162 -26.2322 -26.2322 -21.2848 -21.2848 -10.2707 -10.2615 -10.0369 -10.0324 -9.9649 -9.9581 -7.0182 -7.0125 -6.8891 -6.8873 -6.1878 -6.1866 -5.0964 -5.0963 -0.8429 -0.8422 0.5001 0.5007 4.0622 4.0630 7.2453 7.2482 7.7899 7.7900 8.6784 8.6800 11.0104 11.0121 k = 0.5439 0.3712-0.1654 ( 2712 PWs) bands (ev): -26.5153 -26.5153 -26.2331 -26.2331 -21.2846 -21.2846 -10.2717 -10.2616 -10.0374 -10.0323 -9.9676 -9.9602 -7.0163 -7.0100 -6.8935 -6.8914 -6.1822 -6.1807 -5.0985 -5.0983 -0.8393 -0.8385 0.4974 0.4981 4.0642 4.0651 7.2275 7.2306 7.8021 7.8022 8.6833 8.6850 11.0447 11.0466 k = 0.5487 0.3746-0.1526 ( 2713 PWs) bands (ev): -26.5143 -26.5143 -26.2341 -26.2341 -21.2845 -21.2845 -10.2728 -10.2617 -10.0379 -10.0322 -9.9704 -9.9625 -7.0142 -7.0074 -6.8980 -6.8959 -6.1760 -6.1744 -5.1007 -5.1005 -0.8353 -0.8345 0.4944 0.4952 4.0663 4.0672 7.2082 7.2116 7.8153 7.8154 8.6890 8.6907 11.0824 11.0844 k = 0.5536 0.3779-0.1399 ( 2711 PWs) bands (ev): -26.5133 -26.5133 -26.2351 -26.2351 -21.2843 -21.2843 -10.2739 -10.2620 -10.0385 -10.0322 -9.9731 -9.9648 -7.0121 -7.0048 -6.9027 -6.9006 -6.1694 -6.1676 -5.1030 -5.1029 -0.8311 -0.8303 0.4912 0.4921 4.0683 4.0693 7.1876 7.1911 7.8295 7.8296 8.6955 8.6973 11.1232 11.1253 k = 0.5585 0.3812-0.1271 ( 2714 PWs) bands (ev): -26.5122 -26.5122 -26.2362 -26.2362 -21.2841 -21.2841 -10.2751 -10.2624 -10.0393 -10.0323 -9.9758 -9.9672 -7.0100 -7.0024 -6.9075 -6.9054 -6.1624 -6.1604 -5.1056 -5.1054 -0.8266 -0.8257 0.4878 0.4887 4.0702 4.0713 7.1658 7.1694 7.8446 7.8446 8.7029 8.7047 11.1665 11.1688 k = 0.5633 0.3846-0.1144 ( 2716 PWs) bands (ev): -26.5110 -26.5110 -26.2373 -26.2373 -21.2838 -21.2838 -10.2763 -10.2629 -10.0402 -10.0326 -9.9783 -9.9695 -7.0079 -7.0000 -6.9123 -6.9103 -6.1550 -6.1529 -5.1083 -5.1081 -0.8219 -0.8210 0.4842 0.4850 4.0719 4.0731 7.1429 7.1466 7.8603 7.8603 8.7113 8.7131 11.2117 11.2142 k = 0.5682 0.3879-0.1016 ( 2716 PWs) bands (ev): -26.5099 -26.5099 -26.2385 -26.2385 -21.2836 -21.2836 -10.2775 -10.2635 -10.0411 -10.0329 -9.9807 -9.9717 -7.0060 -6.9980 -6.9169 -6.9151 -6.1474 -6.1451 -5.1111 -5.1109 -0.8170 -0.8161 0.4803 0.4812 4.0734 4.0746 7.1191 7.1229 7.8766 7.8766 8.7209 8.7226 11.2578 11.2604 k = 0.5731 0.3912-0.0889 ( 2714 PWs) bands (ev): -26.5086 -26.5086 -26.2397 -26.2397 -21.2833 -21.2833 -10.2788 -10.2642 -10.0423 -10.0334 -9.9827 -9.9738 -7.0044 -6.9965 -6.9212 -6.9198 -6.1396 -6.1371 -5.1140 -5.1138 -0.8120 -0.8111 0.4763 0.4772 4.0746 4.0758 7.0946 7.0984 7.8932 7.8932 8.7316 8.7332 11.3030 11.3056 k = 0.5780 0.3945-0.0761 ( 2714 PWs) bands (ev): -26.5074 -26.5074 -26.2409 -26.2409 -21.2831 -21.2831 -10.2801 -10.2651 -10.0435 -10.0341 -9.9845 -9.9756 -7.0031 -6.9955 -6.9250 -6.9242 -6.1317 -6.1290 -5.1170 -5.1168 -0.8069 -0.8060 0.4721 0.4730 4.0754 4.0766 7.0695 7.0733 7.9100 7.9101 8.7436 8.7451 11.3440 11.3468 k = 0.5828 0.3979-0.0633 ( 2716 PWs) bands (ev): -26.5063 -26.5063 -26.2421 -26.2421 -21.2828 -21.2828 -10.2814 -10.2661 -10.0449 -10.0349 -9.9859 -9.9772 -7.0023 -6.9953 -6.9281 -6.9281 -6.1236 -6.1208 -5.1200 -5.1199 -0.8017 -0.8008 0.4678 0.4686 4.0757 4.0770 7.0439 7.0477 7.9269 7.9269 8.7569 8.7583 11.3763 11.3792 k = 0.5877 0.4012-0.0506 ( 2716 PWs) bands (ev): -26.5051 -26.5051 -26.2432 -26.2432 -21.2825 -21.2825 -10.2827 -10.2672 -10.0464 -10.0359 -9.9870 -9.9785 -7.0021 -6.9959 -6.9315 -6.9303 -6.1156 -6.1126 -5.1232 -5.1230 -0.7966 -0.7957 0.4634 0.4642 4.0755 4.0767 7.0181 7.0218 7.9435 7.9435 8.7718 8.7731 11.3947 11.3976 k = 0.5926 0.4045-0.0378 ( 2718 PWs) bands (ev): -26.5040 -26.5040 -26.2444 -26.2444 -21.2823 -21.2823 -10.2840 -10.2684 -10.0479 -10.0371 -9.9877 -9.9795 -7.0026 -6.9975 -6.9342 -6.9317 -6.1076 -6.1044 -5.1263 -5.1261 -0.7914 -0.7906 0.4589 0.4596 4.0746 4.0759 6.9921 6.9957 7.9598 7.9598 8.7882 8.7893 11.3915 11.3973 k = 0.5975 0.4078-0.0251 ( 2722 PWs) bands (ev): -26.5029 -26.5029 -26.2454 -26.2454 -21.2820 -21.2820 -10.2853 -10.2697 -10.0495 -10.0384 -9.9882 -9.9802 -7.0039 -7.0000 -6.9360 -6.9322 -6.0997 -6.0963 -5.1295 -5.1293 -0.7864 -0.7857 0.4543 0.4550 4.0731 4.0743 6.9660 6.9696 7.9754 7.9755 8.8062 8.8072 11.3712 11.3731 k = 0.6023 0.4112-0.0123 ( 2717 PWs) bands (ev): -26.5019 -26.5019 -26.2464 -26.2464 -21.2817 -21.2817 -10.2865 -10.2710 -10.0511 -10.0397 -9.9882 -9.9805 -7.0059 -7.0032 -6.9371 -6.9319 -6.0919 -6.0884 -5.1326 -5.1324 -0.7815 -0.7808 0.4497 0.4504 4.0708 4.0720 6.9400 6.9435 7.9904 7.9905 8.8259 8.8268 11.3528 11.3568 k = 0.6023 0.4112-0.0123 ( 2717 PWs) bands (ev): -26.5019 -26.5019 -26.2464 -26.2464 -21.2817 -21.2817 -10.2865 -10.2710 -10.0511 -10.0397 -9.9882 -9.9805 -7.0059 -7.0032 -6.9371 -6.9319 -6.0919 -6.0884 -5.1326 -5.1324 -0.7815 -0.7808 0.4497 0.4504 4.0708 4.0720 6.9400 6.9435 7.9904 7.9905 8.8259 8.8268 11.3529 11.3585 k = 0.5977 0.4080 0.0004 ( 2719 PWs) bands (ev): -26.5016 -26.5016 -26.2466 -26.2466 -21.2816 -21.2816 -10.2873 -10.2724 -10.0522 -10.0413 -9.9874 -9.9799 -7.0106 -7.0083 -6.9381 -6.9327 -6.0871 -6.0835 -5.1349 -5.1347 -0.7781 -0.7774 0.4493 0.4498 4.0726 4.0738 6.9233 6.9267 8.0019 8.0021 8.8585 8.8594 11.3400 11.3479 k = 0.5930 0.4048 0.0131 ( 2721 PWs) bands (ev): -26.5013 -26.5013 -26.2467 -26.2467 -21.2816 -21.2815 -10.2880 -10.2738 -10.0532 -10.0429 -9.9863 -9.9791 -7.0155 -7.0135 -6.9391 -6.9334 -6.0824 -6.0789 -5.1372 -5.1370 -0.7748 -0.7742 0.4488 0.4493 4.0746 4.0757 6.9070 6.9102 8.0112 8.0115 8.8949 8.8958 11.3215 11.3245 k = 0.5884 0.4016 0.0259 ( 2715 PWs) bands (ev): -26.5011 -26.5011 -26.2468 -26.2467 -21.2815 -21.2815 -10.2886 -10.2752 -10.0541 -10.0444 -9.9851 -9.9781 -7.0206 -7.0189 -6.9399 -6.9342 -6.0779 -6.0744 -5.1395 -5.1393 -0.7717 -0.7710 0.4483 0.4488 4.0765 4.0777 6.8911 6.8941 8.0185 8.0189 8.9347 8.9355 11.2993 11.3012 k = 0.5837 0.3985 0.0386 ( 2718 PWs) bands (ev): -26.5010 -26.5010 -26.2467 -26.2467 -21.2814 -21.2814 -10.2892 -10.2765 -10.0550 -10.0459 -9.9837 -9.9769 -7.0259 -7.0243 -6.9408 -6.9351 -6.0735 -6.0701 -5.1418 -5.1416 -0.7687 -0.7681 0.4478 0.4483 4.0786 4.0797 6.8756 6.8785 8.0242 8.0245 8.9773 8.9781 11.2743 11.2751 k = 0.5791 0.3953 0.0513 ( 2724 PWs) bands (ev): -26.5009 -26.5009 -26.2467 -26.2467 -21.2813 -21.2813 -10.2897 -10.2777 -10.0558 -10.0473 -9.9821 -9.9757 -7.0312 -7.0298 -6.9416 -6.9360 -6.0694 -6.0660 -5.1440 -5.1439 -0.7658 -0.7652 0.4473 0.4478 4.0807 4.0818 6.8607 6.8635 8.0283 8.0287 9.0224 9.0231 11.2465 11.2469 k = 0.5744 0.3921 0.0640 ( 2724 PWs) bands (ev): -26.5009 -26.5009 -26.2466 -26.2466 -21.2812 -21.2812 -10.2902 -10.2789 -10.0565 -10.0486 -9.9804 -9.9742 -7.0365 -7.0352 -6.9424 -6.9369 -6.0654 -6.0621 -5.1462 -5.1461 -0.7630 -0.7625 0.4468 0.4472 4.0829 4.0839 6.8464 6.8490 8.0313 8.0317 9.0695 9.0701 11.2167 11.2176 k = 0.5698 0.3889 0.0768 ( 2724 PWs) bands (ev): -26.5009 -26.5009 -26.2464 -26.2464 -21.2812 -21.2812 -10.2906 -10.2801 -10.0572 -10.0499 -9.9786 -9.9727 -7.0418 -7.0406 -6.9431 -6.9378 -6.0617 -6.0585 -5.1484 -5.1482 -0.7604 -0.7599 0.4464 0.4467 4.0851 4.0861 6.8327 6.8353 8.0333 8.0337 9.1181 9.1186 11.1860 11.1871 k = 0.5651 0.3858 0.0895 ( 2728 PWs) bands (ev): -26.5009 -26.5009 -26.2463 -26.2463 -21.2811 -21.2811 -10.2910 -10.2812 -10.0578 -10.0511 -9.9768 -9.9712 -7.0470 -7.0458 -6.9439 -6.9389 -6.0581 -6.0551 -5.1505 -5.1503 -0.7580 -0.7575 0.4459 0.4463 4.0874 4.0884 6.8198 6.8221 8.0346 8.0349 9.1677 9.1682 11.1548 11.1560 k = 0.5605 0.3826 0.1022 ( 2732 PWs) bands (ev): -26.5010 -26.5010 -26.2461 -26.2461 -21.2810 -21.2810 -10.2913 -10.2823 -10.0584 -10.0522 -9.9749 -9.9696 -7.0520 -7.0509 -6.9447 -6.9399 -6.0548 -6.0519 -5.1524 -5.1523 -0.7557 -0.7552 0.4455 0.4458 4.0897 4.0906 6.8076 6.8098 8.0352 8.0356 9.2179 9.2183 11.1234 11.1247 k = 0.5558 0.3794 0.1150 ( 2731 PWs) bands (ev): -26.5011 -26.5011 -26.2459 -26.2459 -21.2809 -21.2809 -10.2916 -10.2833 -10.0589 -10.0533 -9.9729 -9.9680 -7.0568 -7.0558 -6.9454 -6.9409 -6.0517 -6.0490 -5.1543 -5.1542 -0.7535 -0.7531 0.4451 0.4454 4.0920 4.0929 6.7962 6.7982 8.0354 8.0357 9.2682 9.2685 11.0920 11.0933 k = 0.5512 0.3762 0.1277 ( 2729 PWs) bands (ev): -26.5012 -26.5012 -26.2457 -26.2457 -21.2809 -21.2809 -10.2918 -10.2842 -10.0593 -10.0543 -9.9710 -9.9664 -7.0614 -7.0605 -6.9462 -6.9420 -6.0488 -6.0462 -5.1561 -5.1560 -0.7516 -0.7512 0.4447 0.4450 4.0943 4.0951 6.7856 6.7875 8.0353 8.0356 9.3180 9.3183 11.0608 11.0621 k = 0.5465 0.3731 0.1404 ( 2727 PWs) bands (ev): -26.5014 -26.5013 -26.2455 -26.2455 -21.2808 -21.2808 -10.2919 -10.2851 -10.0597 -10.0552 -9.9691 -9.9649 -7.0657 -7.0649 -6.9469 -6.9430 -6.0461 -6.0438 -5.1578 -5.1577 -0.7498 -0.7494 0.4444 0.4446 4.0965 4.0973 6.7758 6.7775 8.0349 8.0352 9.3669 9.3672 11.0301 11.0314 k = 0.5419 0.3699 0.1532 ( 2720 PWs) bands (ev): -26.5015 -26.5015 -26.2452 -26.2452 -21.2807 -21.2807 -10.2921 -10.2860 -10.0600 -10.0560 -9.9672 -9.9634 -7.0697 -7.0689 -6.9475 -6.9440 -6.0437 -6.0415 -5.1593 -5.1592 -0.7481 -0.7478 0.4441 0.4443 4.0986 4.0994 6.7669 6.7685 8.0345 8.0347 9.4143 9.4145 11.0002 11.0014 k = 0.5372 0.3667 0.1659 ( 2717 PWs) bands (ev): -26.5016 -26.5016 -26.2450 -26.2450 -21.2807 -21.2807 -10.2921 -10.2867 -10.0603 -10.0568 -9.9654 -9.9620 -7.0734 -7.0727 -6.9481 -6.9449 -6.0415 -6.0395 -5.1607 -5.1606 -0.7466 -0.7463 0.4438 0.4440 4.1007 4.1013 6.7590 6.7604 8.0339 8.0341 9.4596 9.4598 10.9714 10.9726 k = 0.5326 0.3635 0.1786 ( 2716 PWs) bands (ev): -26.5017 -26.5017 -26.2448 -26.2448 -21.2806 -21.2806 -10.2922 -10.2875 -10.0605 -10.0575 -9.9638 -9.9608 -7.0767 -7.0761 -6.9486 -6.9459 -6.0395 -6.0378 -5.1620 -5.1619 -0.7453 -0.7450 0.4435 0.4437 4.1026 4.1031 6.7519 6.7531 8.0333 8.0335 9.5022 9.5023 10.9442 10.9452 k = 0.5279 0.3604 0.1914 ( 2712 PWs) bands (ev): -26.5018 -26.5018 -26.2447 -26.2447 -21.2806 -21.2805 -10.2922 -10.2882 -10.0607 -10.0581 -9.9623 -9.9597 -7.0796 -7.0791 -6.9491 -6.9467 -6.0378 -6.0363 -5.1631 -5.1630 -0.7441 -0.7439 0.4433 0.4434 4.1043 4.1048 6.7457 6.7468 8.0327 8.0329 9.5413 9.5414 10.9189 10.9198 k = 0.5233 0.3572 0.2041 ( 2712 PWs) bands (ev): -26.5020 -26.5020 -26.2445 -26.2445 -21.2805 -21.2805 -10.2921 -10.2888 -10.0608 -10.0586 -9.9609 -9.9588 -7.0821 -7.0816 -6.9495 -6.9475 -6.0363 -6.0351 -5.1640 -5.1639 -0.7431 -0.7430 0.4431 0.4432 4.1058 4.1062 6.7405 6.7414 8.0322 8.0323 9.5762 9.5763 10.8961 10.8969 k = 0.5186 0.3540 0.2168 ( 2706 PWs) bands (ev): -26.5020 -26.5020 -26.2444 -26.2444 -21.2805 -21.2805 -10.2920 -10.2894 -10.0608 -10.0591 -9.9598 -9.9580 -7.0842 -7.0838 -6.9498 -6.9481 -6.0351 -6.0341 -5.1648 -5.1647 -0.7423 -0.7422 0.4430 0.4431 4.1070 4.1074 6.7363 6.7370 8.0317 8.0318 9.6062 9.6062 10.8763 10.8770 k = 0.5140 0.3508 0.2296 ( 2707 PWs) bands (ev): -26.5021 -26.5021 -26.2443 -26.2443 -21.2804 -21.2804 -10.2919 -10.2899 -10.0608 -10.0596 -9.9588 -9.9575 -7.0858 -7.0855 -6.9499 -6.9487 -6.0341 -6.0333 -5.1654 -5.1653 -0.7417 -0.7416 0.4429 0.4429 4.1080 4.1083 6.7330 6.7335 8.0313 8.0314 9.6305 9.6305 10.8602 10.8607 k = 0.5093 0.3477 0.2423 ( 2709 PWs) bands (ev): -26.5022 -26.5022 -26.2442 -26.2442 -21.2804 -21.2804 -10.2917 -10.2904 -10.0608 -10.0599 -9.9580 -9.9572 -7.0869 -7.0867 -6.9500 -6.9492 -6.0333 -6.0328 -5.1658 -5.1658 -0.7413 -0.7412 0.4428 0.4428 4.1088 4.1089 6.7306 6.7310 8.0311 8.0311 9.6484 9.6484 10.8482 10.8486 k = 0.5047 0.3445 0.2550 ( 2705 PWs) bands (ev): -26.5022 -26.5022 -26.2442 -26.2442 -21.2804 -21.2804 -10.2914 -10.2908 -10.0606 -10.0602 -9.9575 -9.9570 -7.0876 -7.0875 -6.9500 -6.9496 -6.0328 -6.0326 -5.1661 -5.1661 -0.7410 -0.7409 0.4427 0.4428 4.1092 4.1093 6.7293 6.7295 8.0309 8.0309 9.6594 9.6594 10.8409 10.8410 k = 0.5000 0.3413 0.2678 ( 2704 PWs) bands (ev): -26.5022 -26.5022 -26.2441 -26.2441 -21.2804 -21.2804 -10.2911 -10.2911 -10.0605 -10.0605 -9.9571 -9.9571 -7.0878 -7.0878 -6.9498 -6.9498 -6.0326 -6.0326 -5.1661 -5.1661 -0.7409 -0.7409 0.4427 0.4427 4.1094 4.1094 6.7289 6.7289 8.0309 8.0309 9.6631 9.6631 10.8384 10.8384 k = 0.5000 0.3413 0.2678 ( 2704 PWs) bands (ev): -26.5022 -26.5022 -26.2441 -26.2441 -21.2804 -21.2804 -10.2911 -10.2911 -10.0605 -10.0605 -9.9571 -9.9571 -7.0878 -7.0878 -6.9498 -6.9498 -6.0326 -6.0326 -5.1661 -5.1661 -0.7409 -0.7409 0.4427 0.4427 4.1094 4.1094 6.7289 6.7289 8.0309 8.0309 9.6631 9.6631 10.8384 10.8384 k = 0.5079 0.3297 0.2678 ( 2708 PWs) bands (ev): -26.5022 -26.5022 -26.2441 -26.2441 -21.2804 -21.2804 -10.2914 -10.2906 -10.0609 -10.0600 -9.9580 -9.9562 -7.0875 -7.0872 -6.9497 -6.9493 -6.0326 -6.0325 -5.1668 -5.1666 -0.7415 -0.7414 0.4420 0.4421 4.1097 4.1097 6.7291 6.7294 8.0322 8.0323 9.6635 9.6641 10.8310 10.8320 k = 0.5159 0.3181 0.2678 ( 2710 PWs) bands (ev): -26.5022 -26.5022 -26.2441 -26.2441 -21.2806 -21.2806 -10.2916 -10.2899 -10.0613 -10.0596 -9.9588 -9.9553 -7.0864 -7.0858 -6.9491 -6.9483 -6.0325 -6.0323 -5.1685 -5.1682 -0.7432 -0.7430 0.4398 0.4400 4.1104 4.1106 6.7302 6.7307 8.0362 8.0366 9.6653 9.6664 10.8125 10.8142 k = 0.5238 0.3065 0.2678 ( 2712 PWs) bands (ev): -26.5022 -26.5022 -26.2441 -26.2441 -21.2808 -21.2808 -10.2916 -10.2890 -10.0616 -10.0592 -9.9596 -9.9543 -7.0844 -7.0835 -6.9479 -6.9467 -6.0323 -6.0321 -5.1713 -5.1709 -0.7461 -0.7456 0.4362 0.4366 4.1118 4.1120 6.7320 6.7328 8.0430 8.0436 9.6683 9.6700 10.7877 10.7898 k = 0.5317 0.2949 0.2678 ( 2716 PWs) bands (ev): -26.5022 -26.5022 -26.2440 -26.2440 -21.2811 -21.2811 -10.2913 -10.2879 -10.0619 -10.0588 -9.9602 -9.9533 -7.0816 -7.0804 -6.9462 -6.9446 -6.0320 -6.0317 -5.1752 -5.1746 -0.7500 -0.7494 0.4313 0.4318 4.1136 4.1139 6.7345 6.7356 8.0525 8.0533 9.6727 9.6749 10.7596 10.7619 k = 0.5396 0.2832 0.2678 ( 2718 PWs) bands (ev): -26.5022 -26.5022 -26.2440 -26.2440 -21.2815 -21.2815 -10.2910 -10.2867 -10.0621 -10.0584 -9.9608 -9.9523 -7.0780 -7.0766 -6.9439 -6.9420 -6.0317 -6.0313 -5.1802 -5.1794 -0.7549 -0.7542 0.4251 0.4257 4.1159 4.1164 6.7378 6.7391 8.0647 8.0657 9.6783 9.6810 10.7299 10.7324 k = 0.5476 0.2716 0.2678 ( 2720 PWs) bands (ev): -26.5022 -26.5022 -26.2439 -26.2439 -21.2820 -21.2820 -10.2905 -10.2853 -10.0622 -10.0580 -9.9612 -9.9513 -7.0736 -7.0719 -6.9411 -6.9388 -6.0312 -6.0308 -5.1861 -5.1852 -0.7608 -0.7600 0.4176 0.4183 4.1187 4.1192 6.7417 6.7432 8.0795 8.0807 9.6850 9.6883 10.6997 10.7022 k = 0.5555 0.2600 0.2678 ( 2716 PWs) bands (ev): -26.5022 -26.5022 -26.2438 -26.2438 -21.2826 -21.2826 -10.2899 -10.2839 -10.0622 -10.0576 -9.9614 -9.9502 -7.0684 -7.0665 -6.9378 -6.9352 -6.0307 -6.0302 -5.1930 -5.1920 -0.7677 -0.7667 0.4090 0.4098 4.1219 4.1225 6.7462 6.7479 8.0967 8.0981 9.6928 9.6966 10.6694 10.6719 k = 0.5634 0.2484 0.2678 ( 2716 PWs) bands (ev): -26.5022 -26.5022 -26.2438 -26.2438 -21.2832 -21.2832 -10.2892 -10.2823 -10.0621 -10.0572 -9.9614 -9.9492 -7.0625 -7.0605 -6.9340 -6.9311 -6.0301 -6.0295 -5.2008 -5.1997 -0.7753 -0.7743 0.3993 0.4002 4.1255 4.1262 6.7512 6.7532 8.1164 8.1180 9.7016 9.7059 10.6393 10.6419 k = 0.5714 0.2368 0.2678 ( 2718 PWs) bands (ev): -26.5022 -26.5022 -26.2437 -26.2437 -21.2838 -21.2838 -10.2884 -10.2806 -10.0619 -10.0568 -9.9613 -9.9482 -7.0560 -7.0537 -6.9297 -6.9266 -6.0294 -6.0288 -5.2095 -5.2082 -0.7838 -0.7826 0.3886 0.3896 4.1294 4.1301 6.7566 6.7588 8.1383 8.1401 9.7112 9.7161 10.6095 10.6121 k = 0.5793 0.2252 0.2678 ( 2716 PWs) bands (ev): -26.5022 -26.5022 -26.2436 -26.2436 -21.2846 -21.2846 -10.2876 -10.2790 -10.0616 -10.0564 -9.9610 -9.9471 -7.0488 -7.0464 -6.9250 -6.9217 -6.0287 -6.0280 -5.2189 -5.2175 -0.7929 -0.7917 0.3770 0.3781 4.1335 4.1343 6.7624 6.7648 8.1622 8.1642 9.7215 9.7269 10.5800 10.5827 k = 0.5872 0.2136 0.2678 ( 2714 PWs) bands (ev): -26.5022 -26.5022 -26.2435 -26.2435 -21.2853 -21.2853 -10.2867 -10.2773 -10.0612 -10.0559 -9.9605 -9.9461 -7.0411 -7.0386 -6.9200 -6.9165 -6.0279 -6.0272 -5.2291 -5.2275 -0.8027 -0.8013 0.3647 0.3659 4.1378 4.1387 6.7685 6.7711 8.1880 8.1903 9.7325 9.7384 10.5507 10.5534 k = 0.5951 0.2019 0.2678 ( 2714 PWs) bands (ev): -26.5022 -26.5022 -26.2434 -26.2434 -21.2861 -21.2861 -10.2859 -10.2757 -10.0607 -10.0554 -9.9598 -9.9450 -7.0329 -7.0303 -6.9146 -6.9109 -6.0270 -6.0263 -5.2398 -5.2381 -0.8129 -0.8115 0.3517 0.3529 4.1422 4.1431 6.7749 6.7776 8.2155 8.2179 9.7439 9.7502 10.5213 10.5240 k = 0.6031 0.1903 0.2678 ( 2708 PWs) bands (ev): -26.5022 -26.5022 -26.2433 -26.2433 -21.2870 -21.2870 -10.2851 -10.2741 -10.0601 -10.0547 -9.9589 -9.9439 -7.0242 -7.0216 -6.9088 -6.9050 -6.0261 -6.0255 -5.2511 -5.2493 -0.8236 -0.8222 0.3381 0.3395 4.1467 4.1477 6.7814 6.7843 8.2443 8.2470 9.7555 9.7623 10.4916 10.4943 k = 0.6110 0.1787 0.2678 ( 2712 PWs) bands (ev): -26.5023 -26.5023 -26.2432 -26.2432 -21.2878 -21.2878 -10.2843 -10.2726 -10.0594 -10.0539 -9.9579 -9.9428 -7.0152 -7.0125 -6.9027 -6.8989 -6.0252 -6.0246 -5.2629 -5.2609 -0.8346 -0.8331 0.3241 0.3256 4.1512 4.1522 6.7879 6.7910 8.2741 8.2770 9.7671 9.7745 10.4612 10.4639 k = 0.6189 0.1671 0.2678 ( 2712 PWs) bands (ev): -26.5023 -26.5023 -26.2431 -26.2431 -21.2887 -21.2887 -10.2836 -10.2712 -10.0587 -10.0530 -9.9567 -9.9417 -7.0059 -7.0033 -6.8964 -6.8926 -6.0243 -6.0237 -5.2749 -5.2728 -0.8458 -0.8443 0.3099 0.3114 4.1555 4.1566 6.7945 6.7977 8.3046 8.3077 9.7787 9.7864 10.4297 10.4324 k = 0.6268 0.1555 0.2678 ( 2708 PWs) bands (ev): -26.5023 -26.5023 -26.2430 -26.2430 -21.2895 -21.2895 -10.2829 -10.2699 -10.0578 -10.0518 -9.9554 -9.9406 -6.9964 -6.9939 -6.8899 -6.8861 -6.0235 -6.0228 -5.2872 -5.2850 -0.8571 -0.8556 0.2954 0.2970 4.1597 4.1608 6.8011 6.8044 8.3353 8.3386 9.7898 9.7980 10.3971 10.3997 k = 0.6348 0.1439 0.2678 ( 2704 PWs) bands (ev): -26.5023 -26.5023 -26.2430 -26.2429 -21.2904 -21.2904 -10.2823 -10.2687 -10.0569 -10.0505 -9.9539 -9.9394 -6.9869 -6.9844 -6.8831 -6.8794 -6.0226 -6.0219 -5.2995 -5.2972 -0.8684 -0.8668 0.2809 0.2825 4.1637 4.1648 6.8077 6.8110 8.3656 8.3691 9.8001 9.8087 10.3633 10.3659 k = 0.6427 0.1323 0.2678 ( 2706 PWs) bands (ev): -26.5023 -26.5023 -26.2429 -26.2429 -21.2912 -21.2912 -10.2817 -10.2677 -10.0559 -10.0491 -9.9524 -9.9383 -6.9773 -6.9749 -6.8762 -6.8727 -6.0218 -6.0212 -5.3118 -5.3094 -0.8795 -0.8780 0.2665 0.2682 4.1673 4.1685 6.8141 6.8175 8.3951 8.3987 9.8092 9.8183 10.3289 10.3313 k = 0.6506 0.1206 0.2678 ( 2714 PWs) bands (ev): -26.5024 -26.5024 -26.2429 -26.2428 -21.2921 -21.2920 -10.2812 -10.2668 -10.0549 -10.0476 -9.9508 -9.9372 -6.9679 -6.9656 -6.8691 -6.8658 -6.0211 -6.0205 -5.3240 -5.3215 -0.8905 -0.8890 0.2523 0.2540 4.1706 4.1718 6.8204 6.8239 8.4229 8.4267 9.8166 9.8260 10.2946 10.2968 k = 0.6586 0.1090 0.2678 ( 2726 PWs) bands (ev): -26.5024 -26.5024 -26.2428 -26.2428 -21.2928 -21.2928 -10.2807 -10.2661 -10.0537 -10.0461 -9.9492 -9.9362 -6.9588 -6.9566 -6.8618 -6.8588 -6.0206 -6.0199 -5.3359 -5.3333 -0.9011 -0.8997 0.2383 0.2400 4.1734 4.1746 6.8266 6.8301 8.4485 8.4524 9.8215 9.8312 10.2618 10.2637 k = 0.6665 0.0974 0.2678 ( 2728 PWs) bands (ev): -26.5024 -26.5024 -26.2428 -26.2428 -21.2936 -21.2935 -10.2802 -10.2655 -10.0524 -10.0444 -9.9476 -9.9351 -6.9500 -6.9480 -6.8545 -6.8518 -6.0202 -6.0195 -5.3473 -5.3446 -0.9114 -0.9100 0.2248 0.2266 4.1758 4.1770 6.8326 6.8362 8.4709 8.4749 9.8230 9.8329 10.2323 10.2339 k = 0.6744 0.0858 0.2678 ( 2732 PWs) bands (ev): -26.5025 -26.5025 -26.2428 -26.2428 -21.2942 -21.2942 -10.2798 -10.2649 -10.0511 -10.0427 -9.9460 -9.9341 -6.9418 -6.9398 -6.8470 -6.8447 -6.0199 -6.0192 -5.3582 -5.3554 -0.9211 -0.9198 0.2118 0.2136 4.1776 4.1788 6.8384 6.8421 8.4893 8.4934 9.8201 9.8301 10.2083 10.2095 k = 0.6823 0.0742 0.2678 ( 2724 PWs) bands (ev): -26.5025 -26.5025 -26.2428 -26.2428 -21.2948 -21.2948 -10.2793 -10.2645 -10.0496 -10.0410 -9.9444 -9.9331 -6.9341 -6.9321 -6.8395 -6.8375 -6.0199 -6.0191 -5.3683 -5.3654 -0.9302 -0.9290 0.1994 0.2012 4.1788 4.1801 6.8441 6.8477 8.5028 8.5070 9.8122 9.8222 10.1914 10.1924 k = 0.6903 0.0626 0.2678 ( 2726 PWs) bands (ev): -26.5026 -26.5026 -26.2429 -26.2429 -21.2953 -21.2953 -10.2787 -10.2641 -10.0480 -10.0393 -9.9430 -9.9323 -6.9273 -6.9252 -6.8320 -6.8303 -6.0201 -6.0193 -5.3777 -5.3747 -0.9387 -0.9375 0.1877 0.1896 4.1793 4.1806 6.8495 6.8533 8.5105 8.5146 9.7994 9.8091 10.1827 10.1838 k = 0.6982 0.0510 0.2678 ( 2722 PWs) bands (ev): -26.5026 -26.5026 -26.2430 -26.2429 -21.2958 -21.2957 -10.2782 -10.2637 -10.0464 -10.0376 -9.9416 -9.9315 -6.9212 -6.9191 -6.8244 -6.8231 -6.0206 -6.0196 -5.3860 -5.3829 -0.9464 -0.9453 0.1768 0.1787 4.1793 4.1805 6.8549 6.8586 8.5116 8.5157 9.7826 9.7920 10.1824 10.1840 k = 0.7061 0.0393 0.2678 ( 2724 PWs) bands (ev): -26.5027 -26.5027 -26.2430 -26.2430 -21.2961 -21.2961 -10.2776 -10.2634 -10.0448 -10.0361 -9.9403 -9.9309 -6.9160 -6.9138 -6.8169 -6.8159 -6.0213 -6.0202 -5.3933 -5.3901 -0.9533 -0.9523 0.1668 0.1687 4.1785 4.1797 6.8600 6.8637 8.5055 8.5095 9.7636 9.7725 10.1899 10.1919 k = 0.2939-0.4305 0.5479 ( 2724 PWs) bands (ev): -26.5027 -26.5027 -26.2430 -26.2430 -21.2961 -21.2961 -10.2776 -10.2634 -10.0448 -10.0361 -9.9403 -9.9309 -6.9160 -6.9138 -6.8169 -6.8159 -6.0213 -6.0202 -5.3933 -5.3901 -0.9533 -0.9523 0.1668 0.1687 4.1785 4.1797 6.8600 6.8637 8.5055 8.5095 9.7636 9.7725 10.1899 10.1919 k = 0.2861-0.4192 0.5479 ( 2716 PWs) bands (ev): -26.5027 -26.5027 -26.2431 -26.2431 -21.2964 -21.2963 -10.2769 -10.2631 -10.0432 -10.0346 -9.9392 -9.9303 -6.9119 -6.9096 -6.8097 -6.8090 -6.0223 -6.0211 -5.3993 -5.3960 -0.9591 -0.9583 0.1579 0.1598 4.1770 4.1782 6.8648 6.8685 8.4921 8.4960 9.7444 9.7530 10.2038 10.2062 k = 0.2784-0.4078 0.5479 ( 2714 PWs) bands (ev): -26.5028 -26.5028 -26.2433 -26.2433 -21.2965 -21.2965 -10.2762 -10.2628 -10.0416 -10.0332 -9.9383 -9.9299 -6.9087 -6.9063 -6.8027 -6.8021 -6.0236 -6.0222 -5.4040 -5.4008 -0.9642 -0.9635 0.1499 0.1518 4.1748 4.1760 6.8694 6.8731 8.4715 8.4752 9.7261 9.7342 10.2230 10.2257 k = 0.2707-0.3965 0.5479 ( 2708 PWs) bands (ev): -26.5029 -26.5028 -26.2434 -26.2434 -21.2966 -21.2966 -10.2753 -10.2624 -10.0400 -10.0319 -9.9375 -9.9296 -6.9064 -6.9040 -6.7959 -6.7954 -6.0251 -6.0235 -5.4076 -5.4042 -0.9682 -0.9677 0.1429 0.1448 4.1719 4.1731 6.8738 6.8775 8.4437 8.4473 9.7095 9.7172 10.2468 10.2497 k = 0.2629-0.3852 0.5479 ( 2708 PWs) bands (ev): -26.5029 -26.5029 -26.2436 -26.2436 -21.2966 -21.2966 -10.2744 -10.2621 -10.0385 -10.0308 -9.9368 -9.9294 -6.9050 -6.9027 -6.7894 -6.7890 -6.0268 -6.0251 -5.4098 -5.4064 -0.9714 -0.9709 0.1369 0.1388 4.1683 4.1695 6.8779 6.8816 8.4092 8.4126 9.6950 9.7024 10.2741 10.2771 k = 0.2552-0.3739 0.5479 ( 2706 PWs) bands (ev): -26.5030 -26.5030 -26.2438 -26.2438 -21.2965 -21.2964 -10.2734 -10.2616 -10.0371 -10.0298 -9.9363 -9.9294 -6.9046 -6.9023 -6.7833 -6.7829 -6.0287 -6.0270 -5.4107 -5.4072 -0.9736 -0.9732 0.1320 0.1339 4.1639 4.1652 6.8817 6.8854 8.3687 8.3720 9.6830 9.6900 10.3043 10.3074 k = 0.2475-0.3625 0.5479 ( 2710 PWs) bands (ev): -26.5031 -26.5031 -26.2441 -26.2440 -21.2963 -21.2962 -10.2724 -10.2612 -10.0357 -10.0289 -9.9360 -9.9294 -6.9051 -6.9029 -6.7777 -6.7771 -6.0309 -6.0290 -5.4103 -5.4068 -0.9748 -0.9745 0.1281 0.1300 4.1589 4.1601 6.8852 6.8889 8.3231 8.3262 9.6731 9.6799 10.3366 10.3398 k = 0.2397-0.3512 0.5479 ( 2708 PWs) bands (ev): -26.5032 -26.5032 -26.2443 -26.2443 -21.2959 -21.2959 -10.2712 -10.2606 -10.0345 -10.0282 -9.9358 -9.9296 -6.9065 -6.9043 -6.7725 -6.7719 -6.0331 -6.0311 -5.4086 -5.4050 -0.9750 -0.9748 0.1253 0.1271 4.1532 4.1544 6.8883 6.8920 8.2732 8.2761 9.6653 9.6718 10.3706 10.3738 k = 0.2320-0.3399 0.5479 ( 2704 PWs) bands (ev): -26.5033 -26.5033 -26.2446 -26.2446 -21.2955 -21.2955 -10.2700 -10.2601 -10.0335 -10.0277 -9.9356 -9.9298 -6.9087 -6.9067 -6.7679 -6.7671 -6.0355 -6.0334 -5.4056 -5.4020 -0.9743 -0.9741 0.1236 0.1254 4.1468 4.1480 6.8909 6.8945 8.2199 8.2227 9.6592 9.6655 10.4053 10.4086 k = 0.2243-0.3285 0.5479 ( 2708 PWs) bands (ev): -26.5034 -26.5034 -26.2449 -26.2449 -21.2950 -21.2950 -10.2687 -10.2595 -10.0326 -10.0272 -9.9356 -9.9301 -6.9118 -6.9098 -6.7639 -6.7629 -6.0379 -6.0357 -5.4013 -5.3978 -0.9727 -0.9723 0.1229 0.1247 4.1398 4.1410 6.8929 6.8965 8.1642 8.1669 9.6547 9.6609 10.4401 10.4434 k = 0.2165-0.3172 0.5479 ( 2708 PWs) bands (ev): -26.5035 -26.5035 -26.2452 -26.2452 -21.2944 -21.2944 -10.2674 -10.2588 -10.0319 -10.0270 -9.9357 -9.9304 -6.9157 -6.9138 -6.7604 -6.7592 -6.0403 -6.0380 -5.3959 -5.3924 -0.9701 -0.9697 0.1233 0.1250 4.1322 4.1333 6.8941 6.8977 8.1069 8.1095 9.6515 9.6575 10.4739 10.4773 k = 0.2088-0.3059 0.5479 ( 2708 PWs) bands (ev): -26.5036 -26.5036 -26.2455 -26.2455 -21.2938 -21.2938 -10.2661 -10.2582 -10.0313 -10.0269 -9.9357 -9.9308 -6.9203 -6.9185 -6.7576 -6.7562 -6.0426 -6.0403 -5.3895 -5.3859 -0.9666 -0.9661 0.1247 0.1264 4.1241 4.1252 6.8946 6.8981 8.0488 8.0512 9.6495 9.6553 10.5058 10.5093 k = 0.2011-0.2946 0.5479 ( 2702 PWs) bands (ev): -26.5037 -26.5037 -26.2459 -26.2459 -21.2930 -21.2930 -10.2648 -10.2575 -10.0310 -10.0268 -9.9358 -9.9311 -6.9257 -6.9238 -6.7554 -6.7538 -6.0449 -6.0425 -5.3820 -5.3785 -0.9623 -0.9616 0.1271 0.1288 4.1155 4.1165 6.8940 6.8976 7.9905 7.9929 9.6485 9.6543 10.5344 10.5380 k = 0.1933-0.2832 0.5479 ( 2698 PWs) bands (ev): -26.5038 -26.5038 -26.2462 -26.2462 -21.2922 -21.2921 -10.2635 -10.2568 -10.0309 -10.0269 -9.9359 -9.9314 -6.9317 -6.9298 -6.7537 -6.7519 -6.0470 -6.0446 -5.3737 -5.3702 -0.9571 -0.9563 0.1304 0.1321 4.1064 4.1074 6.8924 6.8959 7.9328 7.9351 9.6486 9.6543 10.5580 10.5617 k = 0.1856-0.2719 0.5479 ( 2700 PWs) bands (ev): -26.5039 -26.5039 -26.2466 -26.2466 -21.2913 -21.2912 -10.2623 -10.2562 -10.0310 -10.0272 -9.9359 -9.9317 -6.9384 -6.9363 -6.7527 -6.7507 -6.0489 -6.0466 -5.3645 -5.3611 -0.9511 -0.9503 0.1346 0.1362 4.0969 4.0979 6.8894 6.8929 7.8762 7.8784 9.6498 9.6554 10.5750 10.5789 k = 0.1779-0.2606 0.5479 ( 2702 PWs) bands (ev): -26.5040 -26.5040 -26.2470 -26.2470 -21.2903 -21.2903 -10.2612 -10.2557 -10.0313 -10.0275 -9.9359 -9.9320 -6.9455 -6.9433 -6.7523 -6.7501 -6.0507 -6.0483 -5.3548 -5.3514 -0.9444 -0.9435 0.1397 0.1412 4.0871 4.0881 6.8850 6.8883 7.8213 7.8234 9.6520 9.6575 10.5843 10.5883 k = 0.1701-0.2492 0.5479 ( 2702 PWs) bands (ev): -26.5041 -26.5041 -26.2474 -26.2474 -21.2893 -21.2893 -10.2601 -10.2552 -10.0317 -10.0279 -9.9357 -9.9321 -6.9531 -6.9508 -6.7523 -6.7500 -6.0523 -6.0499 -5.3444 -5.3411 -0.9371 -0.9361 0.1455 0.1470 4.0771 4.0780 6.8789 6.8822 7.7686 7.7705 9.6554 9.6608 10.5855 10.5897 k = 0.1624-0.2379 0.5479 ( 2700 PWs) bands (ev): -26.5042 -26.5042 -26.2478 -26.2478 -21.2882 -21.2882 -10.2592 -10.2548 -10.0322 -10.0285 -9.9355 -9.9322 -6.9611 -6.9586 -6.7529 -6.7503 -6.0536 -6.0513 -5.3336 -5.3304 -0.9292 -0.9281 0.1521 0.1535 4.0668 4.0677 6.8709 6.8743 7.7185 7.7203 9.6600 9.6653 10.5795 10.5837 k = 0.1547-0.2266 0.5479 ( 2700 PWs) bands (ev): -26.5043 -26.5043 -26.2482 -26.2482 -21.2871 -21.2871 -10.2585 -10.2545 -10.0328 -10.0290 -9.9351 -9.9321 -6.9693 -6.9668 -6.7538 -6.7512 -6.0547 -6.0524 -5.3224 -5.3193 -0.9208 -0.9197 0.1593 0.1606 4.0564 4.0572 6.8611 6.8644 7.6714 7.6730 9.6658 9.6710 10.5673 10.5715 k = 0.1469-0.2153 0.5479 ( 2696 PWs) bands (ev): -26.5044 -26.5044 -26.2486 -26.2486 -21.2859 -21.2859 -10.2580 -10.2544 -10.0334 -10.0297 -9.9346 -9.9320 -6.9778 -6.9752 -6.7552 -6.7525 -6.0556 -6.0534 -5.3110 -5.3080 -0.9120 -0.9108 0.1670 0.1683 4.0460 4.0468 6.8493 6.8525 7.6276 7.6291 9.6729 9.6781 10.5503 10.5546 k = 0.1392-0.2039 0.5479 ( 2694 PWs) bands (ev): -26.5045 -26.5045 -26.2491 -26.2490 -21.2848 -21.2848 -10.2576 -10.2544 -10.0340 -10.0303 -9.9341 -9.9318 -6.9865 -6.9838 -6.7569 -6.7541 -6.0563 -6.0542 -5.2995 -5.2966 -0.9029 -0.9016 0.1751 0.1764 4.0355 4.0363 6.8354 6.8385 7.5873 7.5887 9.6815 9.6866 10.5297 10.5339 k = 0.1315-0.1926 0.5479 ( 2696 PWs) bands (ev): -26.5046 -26.5046 -26.2495 -26.2495 -21.2836 -21.2836 -10.2575 -10.2546 -10.0346 -10.0310 -9.9334 -9.9315 -6.9952 -6.9924 -6.7589 -6.7560 -6.0568 -6.0548 -5.2880 -5.2852 -0.8935 -0.8923 0.1836 0.1848 4.0251 4.0258 6.8195 6.8226 7.5507 7.5520 9.6915 9.6965 10.5065 10.5106 k = 0.1237-0.1813 0.5479 ( 2694 PWs) bands (ev): -26.5047 -26.5047 -26.2499 -26.2499 -21.2825 -21.2824 -10.2576 -10.2550 -10.0351 -10.0316 -9.9326 -9.9311 -7.0039 -7.0011 -6.7610 -6.7581 -6.0572 -6.0552 -5.2766 -5.2739 -0.8840 -0.8828 0.1924 0.1935 4.0149 4.0155 6.8019 6.8048 7.5178 7.5189 9.7030 9.7079 10.4812 10.4853 k = 0.1160-0.1699 0.5479 ( 2700 PWs) bands (ev): -26.5048 -26.5048 -26.2503 -26.2503 -21.2813 -21.2813 -10.2578 -10.2555 -10.0356 -10.0322 -9.9318 -9.9306 -7.0125 -7.0097 -6.7634 -6.7605 -6.0573 -6.0555 -5.2653 -5.2628 -0.8745 -0.8732 0.2013 0.2024 4.0048 4.0054 6.7826 6.7855 7.4884 7.4894 9.7159 9.7207 10.4546 10.4585 k = 0.1083-0.1586 0.5479 ( 2700 PWs) bands (ev): -26.5049 -26.5049 -26.2507 -26.2507 -21.2802 -21.2802 -10.2583 -10.2562 -10.0359 -10.0328 -9.9309 -9.9301 -7.0210 -7.0182 -6.7659 -6.7630 -6.0574 -6.0556 -5.2544 -5.2519 -0.8650 -0.8637 0.2102 0.2113 3.9951 3.9956 6.7621 6.7649 7.4625 7.4635 9.7303 9.7350 10.4270 10.4309 k = 0.1005-0.1473 0.5479 ( 2698 PWs) bands (ev): -26.5050 -26.5050 -26.2510 -26.2510 -21.2790 -21.2790 -10.2589 -10.2570 -10.0362 -10.0332 -9.9300 -9.9294 -7.0292 -7.0265 -6.7684 -6.7656 -6.0573 -6.0557 -5.2437 -5.2415 -0.8556 -0.8544 0.2191 0.2201 3.9856 3.9862 6.7408 6.7434 7.4399 7.4407 9.7462 9.7508 10.3989 10.4026 k = 0.0928-0.1359 0.5479 ( 2698 PWs) bands (ev): -26.5051 -26.5051 -26.2514 -26.2514 -21.2780 -21.2780 -10.2597 -10.2579 -10.0363 -10.0336 -9.9292 -9.9287 -7.0372 -7.0345 -6.7709 -6.7682 -6.0571 -6.0556 -5.2336 -5.2314 -0.8465 -0.8453 0.2279 0.2288 3.9766 3.9771 6.7190 6.7215 7.4202 7.4210 9.7635 9.7680 10.3705 10.3742 k = 0.0851-0.1246 0.5479 ( 2702 PWs) bands (ev): -26.5052 -26.5052 -26.2517 -26.2517 -21.2770 -21.2770 -10.2606 -10.2590 -10.0364 -10.0339 -9.9283 -9.9278 -7.0447 -7.0422 -6.7734 -6.7708 -6.0569 -6.0555 -5.2239 -5.2219 -0.8378 -0.8366 0.2364 0.2372 3.9681 3.9685 6.6972 6.6995 7.4031 7.4038 9.7820 9.7865 10.3420 10.3456 k = 0.0773-0.1133 0.5479 ( 2700 PWs) bands (ev): -26.5053 -26.5053 -26.2521 -26.2521 -21.2760 -21.2760 -10.2616 -10.2601 -10.0364 -10.0341 -9.9275 -9.9270 -7.0518 -7.0495 -6.7758 -6.7734 -6.0566 -6.0553 -5.2149 -5.2130 -0.8294 -0.8283 0.2445 0.2453 3.9601 3.9605 6.6759 6.6780 7.3885 7.3892 9.8019 9.8063 10.3137 10.3172 k = 0.0696-0.1020 0.5479 ( 2698 PWs) bands (ev): -26.5053 -26.5053 -26.2524 -26.2524 -21.2751 -21.2751 -10.2626 -10.2612 -10.0363 -10.0342 -9.9268 -9.9261 -7.0585 -7.0562 -6.7781 -6.7758 -6.0562 -6.0550 -5.2064 -5.2048 -0.8216 -0.8206 0.2522 0.2529 3.9527 3.9530 6.6553 6.6573 7.3760 7.3766 9.8228 9.8271 10.2855 10.2890 k = 0.0619-0.0906 0.5479 ( 2698 PWs) bands (ev): -26.5054 -26.5054 -26.2526 -26.2526 -21.2743 -21.2743 -10.2636 -10.2624 -10.0362 -10.0343 -9.9260 -9.9253 -7.0645 -7.0625 -6.7802 -6.7781 -6.0558 -6.0548 -5.1988 -5.1973 -0.8143 -0.8134 0.2594 0.2600 3.9459 3.9462 6.6360 6.6378 7.3653 7.3659 9.8448 9.8490 10.2576 10.2610 k = 0.0541-0.0793 0.5479 ( 2700 PWs) bands (ev): -26.5055 -26.5055 -26.2529 -26.2529 -21.2735 -21.2735 -10.2646 -10.2635 -10.0360 -10.0344 -9.9253 -9.9246 -7.0700 -7.0682 -6.7821 -6.7802 -6.0555 -6.0546 -5.1918 -5.1906 -0.8077 -0.8069 0.2659 0.2665 3.9398 3.9400 6.6182 6.6198 7.3564 7.3569 9.8677 9.8718 10.2300 10.2334 k = 0.0464-0.0680 0.5479 ( 2696 PWs) bands (ev): -26.5055 -26.5055 -26.2531 -26.2531 -21.2729 -21.2729 -10.2655 -10.2646 -10.0358 -10.0344 -9.9246 -9.9239 -7.0748 -7.0732 -6.7838 -6.7822 -6.0551 -6.0543 -5.1857 -5.1846 -0.8018 -0.8011 0.2718 0.2723 3.9344 3.9346 6.6023 6.6037 7.3490 7.3494 9.8913 9.8953 10.2028 10.2062 k = 0.0387-0.0566 0.5479 ( 2694 PWs) bands (ev): -26.5056 -26.5055 -26.2533 -26.2533 -21.2723 -21.2723 -10.2663 -10.2656 -10.0355 -10.0344 -9.9240 -9.9233 -7.0789 -7.0776 -6.7852 -6.7839 -6.0548 -6.0541 -5.1805 -5.1795 -0.7967 -0.7961 0.2769 0.2773 3.9298 3.9300 6.5884 6.5896 7.3429 7.3432 9.9155 9.9194 10.1759 10.1792 k = 0.0309-0.0453 0.5479 ( 2700 PWs) bands (ev): -26.5056 -26.5056 -26.2534 -26.2534 -21.2718 -21.2718 -10.2671 -10.2665 -10.0353 -10.0344 -9.9234 -9.9229 -7.0823 -7.0812 -6.7864 -6.7853 -6.0545 -6.0540 -5.1761 -5.1754 -0.7925 -0.7920 0.2811 0.2814 3.9259 3.9261 6.5768 6.5778 7.3380 7.3383 9.9401 9.9440 10.1492 10.1526 k = 0.0232-0.0340 0.5479 ( 2700 PWs) bands (ev): -26.5056 -26.5056 -26.2536 -26.2536 -21.2714 -21.2714 -10.2676 -10.2672 -10.0351 -10.0344 -9.9230 -9.9225 -7.0850 -7.0841 -6.7874 -6.7865 -6.0542 -6.0538 -5.1727 -5.1721 -0.7891 -0.7887 0.2845 0.2847 3.9229 3.9231 6.5677 6.5684 7.3344 7.3346 9.9651 9.9689 10.1229 10.1263 k = 0.0155-0.0227 0.5479 ( 2694 PWs) bands (ev): -26.5056 -26.5056 -26.2536 -26.2536 -21.2712 -21.2712 -10.2680 -10.2677 -10.0349 -10.0344 -9.9226 -9.9223 -7.0868 -7.0863 -6.7880 -6.7874 -6.0540 -6.0537 -5.1702 -5.1698 -0.7867 -0.7864 0.2869 0.2871 3.9208 3.9209 6.5611 6.5616 7.3318 7.3320 9.9902 9.9938 10.0970 10.1004 k = 0.0077-0.0113 0.5479 ( 2694 PWs) bands (ev): -26.5056 -26.5056 -26.2537 -26.2537 -21.2710 -21.2710 -10.2682 -10.2681 -10.0347 -10.0345 -9.9223 -9.9222 -7.0879 -7.0876 -6.7883 -6.7880 -6.0538 -6.0537 -5.1686 -5.1684 -0.7852 -0.7850 0.2884 0.2885 3.9195 3.9196 6.5571 6.5574 7.3303 7.3304 10.0147 10.0180 10.0723 10.0755 k = 0.0000 0.0000 0.5479 ( 2696 PWs) bands (ev): -26.5057 -26.5057 -26.2537 -26.2537 -21.2709 -21.2709 -10.2682 -10.2682 -10.0346 -10.0346 -9.9222 -9.9222 -7.0882 -7.0882 -6.7883 -6.7883 -6.0538 -6.0538 -5.1680 -5.1680 -0.7846 -0.7846 0.2889 0.2889 3.9191 3.9191 6.5559 6.5559 7.3298 7.3298 10.0326 10.0326 10.0575 10.0575 k = 0.0000 0.0000 0.5479 ( 2696 PWs) bands (ev): -26.5057 -26.5057 -26.2537 -26.2537 -21.2709 -21.2709 -10.2682 -10.2682 -10.0346 -10.0346 -9.9222 -9.9222 -7.0882 -7.0882 -6.7883 -6.7883 -6.0538 -6.0538 -5.1680 -5.1680 -0.7846 -0.7846 0.2889 0.2889 3.9191 3.9191 6.5559 6.5559 7.3298 7.3298 10.0326 10.0326 10.0575 10.0575 k = 0.0114 0.0078 0.5479 ( 2699 PWs) bands (ev): -26.5056 -26.5056 -26.2537 -26.2537 -21.2710 -21.2710 -10.2688 -10.2677 -10.0350 -10.0343 -9.9227 -9.9221 -7.0880 -7.0879 -6.7888 -6.7883 -6.0539 -6.0536 -5.1680 -5.1680 -0.7846 -0.7846 0.2891 0.2891 3.9192 3.9192 6.5563 6.5565 7.3306 7.3307 10.0301 10.0302 10.0588 10.0589 k = 0.0227 0.0155 0.5479 ( 2699 PWs) bands (ev): -26.5056 -26.5056 -26.2537 -26.2537 -21.2710 -21.2710 -10.2693 -10.2673 -10.0354 -10.0340 -9.9234 -9.9223 -7.0876 -7.0874 -6.7896 -6.7887 -6.0540 -6.0534 -5.1679 -5.1679 -0.7845 -0.7844 0.2897 0.2897 3.9194 3.9196 6.5576 6.5581 7.3330 7.3332 10.0228 10.0230 10.0630 10.0630 k = 0.0341 0.0233 0.5479 ( 2701 PWs) bands (ev): -26.5055 -26.5055 -26.2537 -26.2537 -21.2711 -21.2711 -10.2699 -10.2668 -10.0358 -10.0338 -9.9245 -9.9227 -7.0868 -7.0866 -6.7909 -6.7895 -6.0540 -6.0532 -5.1676 -5.1676 -0.7843 -0.7842 0.2906 0.2907 3.9199 3.9201 6.5600 6.5606 7.3371 7.3374 10.0105 10.0109 10.0700 10.0700 k = 0.0454 0.0310 0.5479 ( 2707 PWs) bands (ev): -26.5054 -26.5054 -26.2537 -26.2537 -21.2712 -21.2712 -10.2705 -10.2664 -10.0364 -10.0336 -9.9259 -9.9236 -7.0857 -7.0854 -6.7927 -6.7907 -6.0541 -6.0529 -5.1673 -5.1673 -0.7840 -0.7839 0.2919 0.2920 3.9206 3.9209 6.5633 6.5642 7.3427 7.3432 9.9933 9.9939 10.0797 10.0797 k = 0.0568 0.0388 0.5479 ( 2707 PWs) bands (ev): -26.5052 -26.5052 -26.2538 -26.2538 -21.2713 -21.2713 -10.2711 -10.2660 -10.0369 -10.0335 -9.9275 -9.9246 -7.0843 -7.0839 -6.7948 -6.7923 -6.0540 -6.0526 -5.1669 -5.1669 -0.7836 -0.7835 0.2936 0.2937 3.9216 3.9219 6.5675 6.5686 7.3501 7.3506 9.9713 9.9720 10.0923 10.0923 k = 0.0682 0.0465 0.5479 ( 2708 PWs) bands (ev): -26.5050 -26.5050 -26.2538 -26.2538 -21.2715 -21.2715 -10.2718 -10.2657 -10.0375 -10.0334 -9.9294 -9.9260 -7.0826 -7.0821 -6.7973 -6.7943 -6.0540 -6.0524 -5.1664 -5.1664 -0.7831 -0.7830 0.2956 0.2957 3.9227 3.9231 6.5727 6.5740 7.3591 7.3597 9.9446 9.9453 10.1076 10.1076 k = 0.0795 0.0543 0.5479 ( 2704 PWs) bands (ev): -26.5048 -26.5048 -26.2538 -26.2538 -21.2717 -21.2717 -10.2725 -10.2654 -10.0381 -10.0334 -9.9316 -9.9276 -7.0806 -7.0801 -6.8002 -6.7967 -6.0540 -6.0521 -5.1658 -5.1658 -0.7826 -0.7825 0.2980 0.2982 3.9241 3.9246 6.5789 6.5804 7.3697 7.3704 9.9132 9.9139 10.1256 10.1256 k = 0.0909 0.0620 0.5479 ( 2702 PWs) bands (ev): -26.5046 -26.5046 -26.2538 -26.2538 -21.2719 -21.2719 -10.2731 -10.2651 -10.0388 -10.0334 -9.9340 -9.9295 -7.0783 -7.0777 -6.8034 -6.7995 -6.0540 -6.0518 -5.1651 -5.1651 -0.7820 -0.7819 0.3008 0.3010 3.9258 3.9263 6.5859 6.5876 7.3820 7.3828 9.8774 9.8782 10.1464 10.1464 k = 0.1023 0.0698 0.5479 ( 2704 PWs) bands (ev): -26.5043 -26.5043 -26.2538 -26.2538 -21.2721 -21.2721 -10.2739 -10.2648 -10.0395 -10.0334 -9.9366 -9.9317 -7.0757 -7.0752 -6.8070 -6.8026 -6.0540 -6.0515 -5.1643 -5.1643 -0.7814 -0.7813 0.3039 0.3041 3.9277 3.9283 6.5937 6.5956 7.3960 7.3968 9.8377 9.8385 10.1698 10.1699 k = 0.1136 0.0776 0.5479 ( 2704 PWs) bands (ev): -26.5040 -26.5040 -26.2538 -26.2538 -21.2724 -21.2724 -10.2746 -10.2646 -10.0403 -10.0334 -9.9393 -9.9340 -7.0729 -7.0723 -6.8110 -6.8061 -6.0540 -6.0513 -5.1635 -5.1635 -0.7807 -0.7806 0.3074 0.3076 3.9300 3.9306 6.6025 6.6045 7.4116 7.4125 9.7942 9.7950 10.1960 10.1960 k = 0.1250 0.0853 0.5479 ( 2708 PWs) bands (ev): -26.5037 -26.5037 -26.2538 -26.2538 -21.2727 -21.2727 -10.2753 -10.2645 -10.0411 -10.0335 -9.9423 -9.9365 -7.0699 -7.0693 -6.8153 -6.8100 -6.0540 -6.0511 -5.1626 -5.1626 -0.7800 -0.7799 0.3112 0.3114 3.9325 3.9331 6.6120 6.6141 7.4289 7.4298 9.7475 9.7483 10.2247 10.2248 k = 0.1363 0.0931 0.5479 ( 2708 PWs) bands (ev): -26.5034 -26.5034 -26.2538 -26.2538 -21.2730 -21.2730 -10.2761 -10.2644 -10.0418 -10.0336 -9.9453 -9.9392 -7.0667 -7.0661 -6.8198 -6.8141 -6.0541 -6.0510 -5.1617 -5.1616 -0.7793 -0.7791 0.3153 0.3155 3.9353 3.9360 6.6222 6.6246 7.4478 7.4488 9.6980 9.6988 10.2560 10.2561 k = 0.1477 0.1008 0.5479 ( 2702 PWs) bands (ev): -26.5030 -26.5030 -26.2538 -26.2538 -21.2733 -21.2733 -10.2768 -10.2643 -10.0426 -10.0337 -9.9484 -9.9420 -7.0633 -7.0627 -6.8247 -6.8185 -6.0543 -6.0510 -5.1606 -5.1605 -0.7785 -0.7784 0.3197 0.3199 3.9385 3.9392 6.6332 6.6357 7.4683 7.4693 9.6463 9.6470 10.2900 10.2901 k = 0.1591 0.1086 0.5479 ( 2700 PWs) bands (ev): -26.5027 -26.5027 -26.2538 -26.2538 -21.2736 -21.2736 -10.2776 -10.2642 -10.0434 -10.0338 -9.9516 -9.9450 -7.0597 -7.0592 -6.8298 -6.8232 -6.0545 -6.0510 -5.1595 -5.1594 -0.7778 -0.7777 0.3244 0.3246 3.9420 3.9427 6.6449 6.6475 7.4904 7.4914 9.5927 9.5933 10.3264 10.3265 k = 0.1704 0.1163 0.5479 ( 2700 PWs) bands (ev): -26.5023 -26.5023 -26.2537 -26.2537 -21.2740 -21.2740 -10.2784 -10.2643 -10.0443 -10.0340 -9.9549 -9.9480 -7.0560 -7.0555 -6.8352 -6.8282 -6.0549 -6.0512 -5.1583 -5.1583 -0.7771 -0.7770 0.3294 0.3296 3.9458 3.9466 6.6571 6.6599 7.5140 7.5150 9.5378 9.5384 10.3652 10.3654 k = 0.1818 0.1241 0.5479 ( 2701 PWs) bands (ev): -26.5020 -26.5020 -26.2537 -26.2537 -21.2744 -21.2744 -10.2792 -10.2643 -10.0451 -10.0341 -9.9581 -9.9510 -7.0522 -7.0518 -6.8407 -6.8334 -6.0553 -6.0515 -5.1571 -5.1571 -0.7764 -0.7763 0.3347 0.3349 3.9500 3.9508 6.6700 6.6728 7.5391 7.5401 9.4819 9.4825 10.4065 10.4067 k = 0.1932 0.1319 0.5479 ( 2703 PWs) bands (ev): -26.5016 -26.5016 -26.2536 -26.2536 -21.2748 -21.2748 -10.2800 -10.2645 -10.0459 -10.0343 -9.9613 -9.9541 -7.0483 -7.0480 -6.8465 -6.8387 -6.0559 -6.0519 -5.1559 -5.1558 -0.7757 -0.7756 0.3402 0.3403 3.9545 3.9553 6.6834 6.6863 7.5656 7.5666 9.4257 9.4262 10.4501 10.4503 k = 0.2045 0.1396 0.5479 ( 2703 PWs) bands (ev): -26.5013 -26.5013 -26.2535 -26.2535 -21.2752 -21.2752 -10.2807 -10.2646 -10.0466 -10.0344 -9.9645 -9.9571 -7.0443 -7.0441 -6.8524 -6.8443 -6.0566 -6.0524 -5.1546 -5.1545 -0.7751 -0.7750 0.3459 0.3460 3.9594 3.9602 6.6972 6.7002 7.5934 7.5944 9.3694 9.3699 10.4960 10.4962 k = 0.2159 0.1474 0.5479 ( 2703 PWs) bands (ev): -26.5010 -26.5010 -26.2534 -26.2534 -21.2756 -21.2756 -10.2815 -10.2648 -10.0474 -10.0346 -9.9676 -9.9601 -7.0403 -7.0402 -6.8585 -6.8501 -6.0574 -6.0531 -5.1533 -5.1532 -0.7745 -0.7745 0.3518 0.3519 3.9646 3.9655 6.7115 6.7146 7.6223 7.6233 9.3135 9.3139 10.5440 10.5443 k = 0.2272 0.1551 0.5479 ( 2703 PWs) bands (ev): -26.5006 -26.5006 -26.2533 -26.2533 -21.2760 -21.2760 -10.2822 -10.2651 -10.0481 -10.0348 -9.9705 -9.9630 -7.0363 -7.0363 -6.8647 -6.8559 -6.0584 -6.0540 -5.1519 -5.1519 -0.7740 -0.7740 0.3579 0.3580 3.9701 3.9711 6.7261 6.7292 7.6524 7.6533 9.2583 9.2587 10.5941 10.5944 k = 0.2386 0.1629 0.5479 ( 2705 PWs) bands (ev): -26.5004 -26.5004 -26.2532 -26.2532 -21.2764 -21.2764 -10.2830 -10.2654 -10.0488 -10.0350 -9.9734 -9.9658 -7.0324 -7.0324 -6.8710 -6.8619 -6.0595 -6.0550 -5.1506 -5.1505 -0.7736 -0.7736 0.3641 0.3642 3.9760 3.9770 6.7410 6.7442 7.6832 7.6841 9.2043 9.2047 10.6462 10.6466 k = 0.2500 0.1706 0.5479 ( 2705 PWs) bands (ev): -26.5001 -26.5001 -26.2530 -26.2530 -21.2768 -21.2768 -10.2837 -10.2658 -10.0494 -10.0352 -9.9760 -9.9685 -7.0286 -7.0284 -6.8773 -6.8679 -6.0608 -6.0563 -5.1492 -5.1491 -0.7734 -0.7733 0.3705 0.3705 3.9822 3.9832 6.7562 6.7594 7.7148 7.7156 9.1518 9.1522 10.7001 10.7006 k = 0.2613 0.1784 0.5479 ( 2705 PWs) bands (ev): -26.4999 -26.4999 -26.2528 -26.2527 -21.2773 -21.2773 -10.2843 -10.2662 -10.0500 -10.0355 -9.9785 -9.9710 -7.0249 -7.0246 -6.8836 -6.8740 -6.0622 -6.0577 -5.1478 -5.1477 -0.7732 -0.7731 0.3769 0.3770 3.9887 3.9897 6.7715 6.7747 7.7467 7.7475 9.1013 9.1017 10.7557 10.7563 k = 0.2727 0.1861 0.5479 ( 2703 PWs) bands (ev): -26.4997 -26.4997 -26.2525 -26.2525 -21.2777 -21.2777 -10.2850 -10.2666 -10.0505 -10.0357 -9.9807 -9.9732 -7.0213 -7.0208 -6.8899 -6.8801 -6.0638 -6.0592 -5.1464 -5.1463 -0.7731 -0.7730 0.3834 0.3835 3.9954 3.9964 6.7868 6.7901 7.7787 7.7794 9.0532 9.0535 10.8128 10.8135 k = 0.2841 0.1939 0.5479 ( 2706 PWs) bands (ev): -26.4996 -26.4996 -26.2522 -26.2522 -21.2781 -21.2781 -10.2855 -10.2671 -10.0510 -10.0360 -9.9828 -9.9753 -7.0179 -7.0173 -6.8962 -6.8862 -6.0656 -6.0610 -5.1450 -5.1449 -0.7732 -0.7730 0.3899 0.3900 4.0023 4.0033 6.8023 6.8056 7.8103 7.8109 9.0079 9.0083 10.8712 10.8719 k = 0.2954 0.2017 0.5479 ( 2711 PWs) bands (ev): -26.4995 -26.4995 -26.2519 -26.2519 -21.2785 -21.2785 -10.2861 -10.2676 -10.0514 -10.0364 -9.9845 -9.9771 -7.0146 -7.0139 -6.9023 -6.8922 -6.0676 -6.0630 -5.1437 -5.1435 -0.7734 -0.7732 0.3965 0.3966 4.0094 4.0105 6.8176 6.8209 7.8412 7.8417 8.9660 8.9664 10.9306 10.9314 k = 0.3068 0.2094 0.5479 ( 2715 PWs) bands (ev): -26.4995 -26.4995 -26.2515 -26.2515 -21.2789 -21.2789 -10.2865 -10.2681 -10.0517 -10.0367 -9.9861 -9.9786 -7.0116 -7.0108 -6.9082 -6.8981 -6.0697 -6.0652 -5.1423 -5.1422 -0.7737 -0.7734 0.4029 0.4031 4.0166 4.0177 6.8328 6.8362 7.8708 7.8712 8.9280 8.9283 10.9904 10.9914 k = 0.3181 0.2172 0.5479 ( 2717 PWs) bands (ev): -26.4995 -26.4995 -26.2511 -26.2510 -21.2793 -21.2793 -10.2869 -10.2685 -10.0519 -10.0371 -9.9873 -9.9799 -7.0088 -7.0081 -6.9138 -6.9038 -6.0720 -6.0675 -5.1410 -5.1408 -0.7741 -0.7738 0.4094 0.4095 4.0239 4.0250 6.8478 6.8512 7.8984 7.8988 8.8944 8.8948 11.0503 11.0515 k = 0.3295 0.2249 0.5479 ( 2713 PWs) bands (ev): -26.4996 -26.4996 -26.2506 -26.2506 -21.2797 -21.2797 -10.2871 -10.2690 -10.0521 -10.0375 -9.9883 -9.9808 -7.0064 -7.0057 -6.9191 -6.9093 -6.0744 -6.0700 -5.1396 -5.1395 -0.7747 -0.7744 0.4157 0.4159 4.0312 4.0323 6.8625 6.8659 7.9236 7.9238 8.8660 8.8664 11.1095 11.1108 k = 0.3409 0.2327 0.5479 ( 2718 PWs) bands (ev): -26.4998 -26.4998 -26.2500 -26.2500 -21.2801 -21.2801 -10.2873 -10.2695 -10.0521 -10.0379 -9.9890 -9.9815 -7.0044 -7.0039 -6.9239 -6.9144 -6.0770 -6.0727 -5.1384 -5.1382 -0.7755 -0.7751 0.4219 0.4222 4.0384 4.0395 6.8769 6.8803 7.9454 7.9456 8.8432 8.8437 11.1667 11.1683 k = 0.3522 0.2404 0.5479 ( 2717 PWs) bands (ev): -26.5001 -26.5001 -26.2494 -26.2494 -21.2805 -21.2805 -10.2874 -10.2699 -10.0521 -10.0383 -9.9894 -9.9818 -7.0029 -7.0027 -6.9282 -6.9191 -6.0797 -6.0755 -5.1371 -5.1370 -0.7764 -0.7759 0.4279 0.4283 4.0455 4.0466 6.8908 6.8941 7.9635 7.9635 8.8266 8.8272 11.2205 11.2223 k = 0.3636 0.2482 0.5479 ( 2719 PWs) bands (ev): -26.5004 -26.5004 -26.2488 -26.2488 -21.2808 -21.2808 -10.2874 -10.2703 -10.0520 -10.0387 -9.9895 -9.9819 -7.0023 -7.0019 -6.9316 -6.9233 -6.0826 -6.0785 -5.1359 -5.1357 -0.7774 -0.7769 0.4337 0.4341 4.0524 4.0535 6.9041 6.9075 7.9771 7.9772 8.8166 8.8173 11.2685 11.2705 k = 0.3749 0.2559 0.5479 ( 2715 PWs) bands (ev): -26.5008 -26.5008 -26.2481 -26.2480 -21.2811 -21.2811 -10.2872 -10.2706 -10.0518 -10.0391 -9.9893 -9.9817 -7.0026 -7.0017 -6.9343 -6.9268 -6.0856 -6.0817 -5.1347 -5.1346 -0.7786 -0.7781 0.4393 0.4398 4.0590 4.0601 6.9168 6.9202 7.9861 7.9862 8.8133 8.8141 11.3080 11.3102 k = 0.3863 0.2637 0.5479 ( 2718 PWs) bands (ev): -26.5013 -26.5013 -26.2473 -26.2473 -21.2814 -21.2814 -10.2869 -10.2708 -10.0515 -10.0395 -9.9889 -9.9812 -7.0039 -7.0021 -6.9361 -6.9297 -6.0887 -6.0850 -5.1336 -5.1335 -0.7800 -0.7794 0.4447 0.4452 4.0651 4.0663 6.9288 6.9323 7.9904 7.9906 8.8166 8.8174 11.3365 11.3387 k = 0.3977 0.2715 0.5479 ( 2717 PWs) bands (ev): -26.5019 -26.5019 -26.2464 -26.2464 -21.2817 -21.2817 -10.2865 -10.2710 -10.0511 -10.0397 -9.9882 -9.9805 -7.0059 -7.0032 -6.9371 -6.9319 -6.0919 -6.0884 -5.1326 -5.1324 -0.7815 -0.7808 0.4497 0.4504 4.0708 4.0720 6.9400 6.9435 7.9904 7.9905 8.8259 8.8268 11.3530 11.3550 k = 0.5000 0.3413-0.2801 ( 2704 PWs) bands (ev): -26.5199 -26.5199 -26.2287 -26.2287 -21.2854 -21.2854 -10.2642 -10.2642 -10.0343 -10.0343 -9.9508 -9.9508 -7.0249 -7.0249 -6.8705 -6.8705 -6.2104 -6.2104 -5.0884 -5.0884 -0.8570 -0.8570 0.5107 0.5107 4.0532 4.0532 7.3179 7.3179 7.7417 7.7417 8.6617 8.6617 10.8773 10.8773 k = 0.5078 0.3300-0.2801 ( 2706 PWs) bands (ev): -26.5198 -26.5198 -26.2287 -26.2287 -21.2854 -21.2854 -10.2644 -10.2641 -10.0344 -10.0341 -9.9509 -9.9505 -7.0244 -7.0241 -6.8708 -6.8708 -6.2101 -6.2098 -5.0892 -5.0891 -0.8567 -0.8567 0.5094 0.5095 4.0529 4.0532 7.3179 7.3180 7.7435 7.7436 8.6620 8.6622 10.8767 10.8771 k = 0.5155 0.3186-0.2801 ( 2700 PWs) bands (ev): -26.5196 -26.5196 -26.2289 -26.2289 -21.2855 -21.2855 -10.2644 -10.2638 -10.0345 -10.0339 -9.9509 -9.9501 -7.0228 -7.0221 -6.8716 -6.8715 -6.2090 -6.2084 -5.0915 -5.0913 -0.8559 -0.8559 0.5056 0.5058 4.0525 4.0531 7.3182 7.3183 7.7488 7.7490 8.6628 8.6632 10.8752 10.8761 k = 0.5233 0.3072-0.2801 ( 2698 PWs) bands (ev): -26.5193 -26.5193 -26.2293 -26.2293 -21.2855 -21.2855 -10.2643 -10.2634 -10.0346 -10.0337 -9.9507 -9.9495 -7.0200 -7.0190 -6.8729 -6.8728 -6.2071 -6.2062 -5.0953 -5.0951 -0.8546 -0.8546 0.4993 0.4997 4.0519 4.0528 7.3186 7.3188 7.7576 7.7579 8.6642 8.6648 10.8729 10.8742 k = 0.5310 0.2959-0.2801 ( 2702 PWs) bands (ev): -26.5189 -26.5189 -26.2298 -26.2298 -21.2856 -21.2856 -10.2641 -10.2630 -10.0347 -10.0336 -9.9504 -9.9488 -7.0161 -7.0147 -6.8746 -6.8745 -6.2044 -6.2031 -5.1006 -5.1003 -0.8528 -0.8528 0.4907 0.4911 4.0511 4.0522 7.3191 7.3194 7.7699 7.7703 8.6663 8.6671 10.8694 10.8712 k = 0.5388 0.2845-0.2801 ( 2702 PWs) bands (ev): -26.5184 -26.5184 -26.2304 -26.2304 -21.2856 -21.2856 -10.2639 -10.2625 -10.0347 -10.0334 -9.9499 -9.9480 -7.0110 -7.0092 -6.8769 -6.8767 -6.2008 -6.1993 -5.1074 -5.1071 -0.8505 -0.8505 0.4797 0.4803 4.0500 4.0514 7.3197 7.3201 7.7856 7.7861 8.6690 8.6700 10.8645 10.8668 k = 0.5465 0.2732-0.2801 ( 2702 PWs) bands (ev): -26.5177 -26.5177 -26.2312 -26.2312 -21.2857 -21.2857 -10.2635 -10.2620 -10.0347 -10.0332 -9.9493 -9.9470 -7.0048 -7.0027 -6.8796 -6.8794 -6.1964 -6.1946 -5.1157 -5.1153 -0.8478 -0.8477 0.4666 0.4673 4.0486 4.0504 7.3204 7.3209 7.8047 7.8053 8.6725 8.6736 10.8576 10.8605 k = 0.5543 0.2618-0.2801 ( 2702 PWs) bands (ev): -26.5170 -26.5170 -26.2320 -26.2320 -21.2858 -21.2858 -10.2631 -10.2614 -10.0347 -10.0329 -9.9484 -9.9459 -6.9976 -6.9952 -6.8827 -6.8824 -6.1912 -6.1890 -5.1254 -5.1249 -0.8446 -0.8446 0.4514 0.4522 4.0469 4.0489 7.3211 7.3217 7.8271 7.8277 8.6766 8.6779 10.8482 10.8515 k = 0.5620 0.2504-0.2801 ( 2702 PWs) bands (ev): -26.5161 -26.5161 -26.2330 -26.2330 -21.2859 -21.2859 -10.2627 -10.2607 -10.0345 -10.0327 -9.9474 -9.9447 -6.9894 -6.9868 -6.8862 -6.8859 -6.1851 -6.1827 -5.1366 -5.1360 -0.8410 -0.8410 0.4344 0.4352 4.0448 4.0470 7.3217 7.3224 7.8525 7.8532 8.6814 8.6830 10.8351 10.8389 k = 0.5698 0.2391-0.2801 ( 2702 PWs) bands (ev): -26.5152 -26.5152 -26.2341 -26.2341 -21.2860 -21.2860 -10.2621 -10.2601 -10.0344 -10.0325 -9.9462 -9.9433 -6.9804 -6.9774 -6.8900 -6.8897 -6.1781 -6.1755 -5.1491 -5.1485 -0.8370 -0.8370 0.4156 0.4165 4.0422 4.0447 7.3223 7.3230 7.8808 7.8817 8.6870 8.6888 10.8170 10.8213 k = 0.5775 0.2277-0.2801 ( 2698 PWs) bands (ev): -26.5143 -26.5143 -26.2352 -26.2352 -21.2861 -21.2861 -10.2615 -10.2593 -10.0341 -10.0323 -9.9449 -9.9418 -6.9705 -6.9673 -6.8941 -6.8937 -6.1704 -6.1674 -5.1629 -5.1623 -0.8328 -0.8327 0.3953 0.3962 4.0391 4.0418 7.3227 7.3235 7.9119 7.9128 8.6934 8.6955 10.7928 10.7973 k = 0.5853 0.2164-0.2801 ( 2702 PWs) bands (ev): -26.5133 -26.5133 -26.2364 -26.2364 -21.2862 -21.2862 -10.2608 -10.2586 -10.0338 -10.0320 -9.9434 -9.9403 -6.9600 -6.9566 -6.8984 -6.8979 -6.1618 -6.1586 -5.1781 -5.1774 -0.8282 -0.8282 0.3736 0.3746 4.0354 4.0383 7.3229 7.3238 7.9454 7.9464 8.7007 8.7030 10.7612 10.7659 k = 0.5931 0.2050-0.2801 ( 2704 PWs) bands (ev): -26.5122 -26.5122 -26.2377 -26.2377 -21.2863 -21.2863 -10.2601 -10.2578 -10.0333 -10.0317 -9.9417 -9.9386 -6.9491 -6.9455 -6.9027 -6.9020 -6.1523 -6.1489 -5.1945 -5.1937 -0.8235 -0.8234 0.3508 0.3518 4.0310 4.0341 7.3228 7.3238 7.9810 7.9822 8.7089 8.7114 10.7223 10.7270 k = 0.6008 0.1936-0.2801 ( 2704 PWs) bands (ev): -26.5111 -26.5111 -26.2390 -26.2390 -21.2864 -21.2864 -10.2593 -10.2570 -10.0328 -10.0314 -9.9399 -9.9368 -6.9381 -6.9346 -6.9066 -6.9056 -6.1421 -6.1384 -5.2120 -5.2113 -0.8186 -0.8185 0.3270 0.3281 4.0259 4.0291 7.3224 7.3236 8.0184 8.0197 8.7181 8.7209 10.6771 10.6815 k = 0.6086 0.1823-0.2801 ( 2700 PWs) bands (ev): -26.5100 -26.5100 -26.2403 -26.2403 -21.2865 -21.2865 -10.2585 -10.2562 -10.0321 -10.0310 -9.9380 -9.9349 -6.9287 -6.9261 -6.9085 -6.9065 -6.1310 -6.1271 -5.2307 -5.2299 -0.8136 -0.8135 0.3026 0.3036 4.0200 4.0233 7.3217 7.3229 8.0570 8.0586 8.7283 8.7314 10.6274 10.6315 k = 0.3914-0.5734 0.0000 ( 2700 PWs) bands (ev): -26.5100 -26.5100 -26.2403 -26.2403 -21.2865 -21.2865 -10.2585 -10.2562 -10.0321 -10.0310 -9.9380 -9.9349 -6.9287 -6.9261 -6.9085 -6.9065 -6.1310 -6.1271 -5.2307 -5.2299 -0.8136 -0.8135 0.3026 0.3036 4.0200 4.0233 7.3217 7.3229 8.0570 8.0586 8.7283 8.7314 10.6274 10.6315 k = 0.3836-0.5620 0.0000 ( 2694 PWs) bands (ev): -26.5090 -26.5090 -26.2416 -26.2416 -21.2866 -21.2866 -10.2576 -10.2553 -10.0313 -10.0305 -9.9360 -9.9330 -6.9255 -6.9245 -6.9039 -6.9002 -6.1190 -6.1150 -5.2506 -5.2498 -0.8084 -0.8083 0.2774 0.2785 4.0131 4.0166 7.3207 7.3219 8.0969 8.0987 8.7397 8.7431 10.5749 10.5787 k = 0.3758-0.5505 0.0000 ( 2692 PWs) bands (ev): -26.5079 -26.5079 -26.2429 -26.2429 -21.2867 -21.2867 -10.2567 -10.2545 -10.0304 -10.0300 -9.9339 -9.9309 -6.9281 -6.9278 -6.8932 -6.8888 -6.1063 -6.1021 -5.2715 -5.2707 -0.8033 -0.8032 0.2519 0.2530 4.0053 4.0090 7.3191 7.3204 8.1369 8.1389 8.7523 8.7561 10.5223 10.5258 k = 0.3679-0.5390 0.0000 ( 2690 PWs) bands (ev): -26.5070 -26.5069 -26.2441 -26.2441 -21.2868 -21.2868 -10.2559 -10.2536 -10.0294 -10.0293 -9.9316 -9.9289 -6.9325 -6.9324 -6.8806 -6.8759 -6.0929 -6.0885 -5.2933 -5.2924 -0.7982 -0.7981 0.2264 0.2275 3.9965 4.0003 7.3170 7.3184 8.1764 8.1787 8.7661 8.7703 10.4714 10.4747 k = 0.3601-0.5276 0.0000 ( 2686 PWs) bands (ev): -26.5061 -26.5061 -26.2453 -26.2453 -21.2868 -21.2868 -10.2550 -10.2526 -10.0287 -10.0281 -9.9294 -9.9268 -6.9373 -6.9373 -6.8674 -6.8626 -6.0787 -6.0742 -5.3157 -5.3149 -0.7932 -0.7930 0.2010 0.2021 3.9867 3.9906 7.3144 7.3159 8.2145 8.2171 8.7811 8.7858 10.4242 10.4273 k = 0.3523-0.5161 0.0000 ( 2690 PWs) bands (ev): -26.5053 -26.5053 -26.2464 -26.2464 -21.2869 -21.2869 -10.2541 -10.2516 -10.0279 -10.0268 -9.9271 -9.9246 -6.9423 -6.9422 -6.8541 -6.8492 -6.0641 -6.0595 -5.3388 -5.3379 -0.7884 -0.7882 0.1761 0.1771 3.9758 3.9797 7.3113 7.3127 8.2505 8.2534 8.7974 8.8025 10.3822 10.3850 k = 0.3445-0.5046 0.0000 ( 2694 PWs) bands (ev): -26.5046 -26.5046 -26.2474 -26.2474 -21.2869 -21.2869 -10.2533 -10.2506 -10.0271 -10.0253 -9.9248 -9.9225 -6.9472 -6.9471 -6.8408 -6.8358 -6.0489 -6.0443 -5.3623 -5.3614 -0.7839 -0.7836 0.1517 0.1526 3.9638 3.9677 7.3075 7.3090 8.2834 8.2866 8.8149 8.8204 10.3468 10.3495 k = 0.3366-0.4931 0.0000 ( 2694 PWs) bands (ev): -26.5041 -26.5041 -26.2482 -26.2482 -21.2869 -21.2869 -10.2525 -10.2495 -10.0261 -10.0236 -9.9225 -9.9204 -6.9519 -6.9518 -6.8277 -6.8227 -6.0334 -6.0287 -5.3861 -5.3852 -0.7796 -0.7793 0.1281 0.1290 3.9506 3.9546 7.3031 7.3046 8.3123 8.3158 8.8335 8.8393 10.3197 10.3221 k = 0.3288-0.4817 0.0000 ( 2696 PWs) bands (ev): -26.5037 -26.5037 -26.2489 -26.2489 -21.2869 -21.2869 -10.2517 -10.2483 -10.0250 -10.0218 -9.9202 -9.9183 -6.9565 -6.9563 -6.8150 -6.8100 -6.0178 -6.0131 -5.4099 -5.4090 -0.7756 -0.7753 0.1054 0.1063 3.9363 3.9403 7.2980 7.2995 8.3364 8.3400 8.8529 8.8591 10.3019 10.3043 k = 0.3210-0.4702 0.0000 ( 2698 PWs) bands (ev): -26.5036 -26.5036 -26.2494 -26.2494 -21.2869 -21.2869 -10.2509 -10.2471 -10.0237 -10.0198 -9.9180 -9.9163 -6.9607 -6.9606 -6.8028 -6.7978 -6.0021 -5.9975 -5.4334 -5.4324 -0.7721 -0.7718 0.0840 0.0847 3.9208 3.9249 7.2922 7.2937 8.3548 8.3586 8.8731 8.8794 10.2949 10.2970 k = 0.3131-0.4587 0.0000 ( 2702 PWs) bands (ev): -26.5036 -26.5036 -26.2497 -26.2496 -21.2868 -21.2868 -10.2501 -10.2458 -10.0224 -10.0177 -9.9158 -9.9143 -6.9646 -6.9645 -6.7912 -6.7862 -5.9868 -5.9822 -5.4564 -5.4553 -0.7690 -0.7686 0.0638 0.0645 3.9042 3.9082 7.2857 7.2872 8.3671 8.3710 8.8938 8.9002 10.2994 10.3014 k = 0.3053-0.4473 0.0000 ( 2706 PWs) bands (ev): -26.5039 -26.5039 -26.2497 -26.2497 -21.2868 -21.2868 -10.2493 -10.2444 -10.0209 -10.0154 -9.9138 -9.9123 -6.9682 -6.9680 -6.7802 -6.7753 -5.9721 -5.9677 -5.4783 -5.4772 -0.7663 -0.7659 0.0451 0.0457 3.8864 3.8904 7.2783 7.2798 8.3728 8.3766 8.9150 8.9213 10.3161 10.3180 k = 0.2975-0.4358 0.0000 ( 2704 PWs) bands (ev): -26.5043 -26.5043 -26.2496 -26.2496 -21.2866 -21.2866 -10.2484 -10.2429 -10.0194 -10.0130 -9.9118 -9.9105 -6.9713 -6.9711 -6.7700 -6.7652 -5.9585 -5.9542 -5.4988 -5.4975 -0.7642 -0.7638 0.0280 0.0285 3.8675 3.8715 7.2703 7.2717 8.3718 8.3754 8.9366 8.9428 10.3452 10.3470 k = 0.2897-0.4243 0.0000 ( 2706 PWs) bands (ev): -26.5050 -26.5050 -26.2492 -26.2492 -21.2865 -21.2865 -10.2475 -10.2414 -10.0177 -10.0105 -9.9100 -9.9087 -6.9740 -6.9738 -6.7608 -6.7561 -5.9465 -5.9424 -5.5173 -5.5158 -0.7626 -0.7622 0.0127 0.0131 3.8475 3.8515 7.2613 7.2627 8.3639 8.3674 8.9588 8.9647 10.3865 10.3882 k = 0.2818-0.4129 0.0000 ( 2702 PWs) bands (ev): -26.5060 -26.5060 -26.2486 -26.2486 -21.2863 -21.2863 -10.2465 -10.2398 -10.0159 -10.0078 -9.9084 -9.9070 -6.9762 -6.9760 -6.7526 -6.7480 -5.9366 -5.9328 -5.5331 -5.5314 -0.7616 -0.7611 -0.0009 -0.0005 3.8264 3.8304 7.2515 7.2528 8.3497 8.3529 8.9818 8.9872 10.4394 10.4411 k = 0.2740-0.4014 0.0000 ( 2708 PWs) bands (ev): -26.5072 -26.5072 -26.2477 -26.2477 -21.2861 -21.2861 -10.2455 -10.2382 -10.0140 -10.0051 -9.9069 -9.9054 -6.9779 -6.9777 -6.7454 -6.7409 -5.9294 -5.9261 -5.5456 -5.5435 -0.7612 -0.7607 -0.0125 -0.0122 3.8043 3.8083 7.2409 7.2421 8.3295 8.3326 9.0056 9.0107 10.5030 10.5046 k = 0.2662-0.3899 0.0000 ( 2708 PWs) bands (ev): -26.5086 -26.5086 -26.2466 -26.2466 -21.2859 -21.2859 -10.2444 -10.2365 -10.0120 -10.0023 -9.9055 -9.9039 -6.9791 -6.9789 -6.7395 -6.7352 -5.9256 -5.9227 -5.5542 -5.5517 -0.7614 -0.7609 -0.0221 -0.0219 3.7814 3.7852 7.2293 7.2305 8.3040 8.3070 9.0307 9.0352 10.5762 10.5778 k = 0.2583-0.3785 0.0000 ( 2706 PWs) bands (ev): -26.5102 -26.5102 -26.2453 -26.2453 -21.2856 -21.2856 -10.2432 -10.2347 -10.0099 -9.9994 -9.9043 -9.9026 -6.9797 -6.9795 -6.7348 -6.7307 -5.9253 -5.9229 -5.5583 -5.5554 -0.7622 -0.7617 -0.0297 -0.0295 3.7575 3.7613 7.2169 7.2179 8.2740 8.2770 9.0570 9.0611 10.6577 10.6592 k = 0.2505-0.3670 0.0000 ( 2704 PWs) bands (ev): -26.5121 -26.5121 -26.2437 -26.2437 -21.2853 -21.2853 -10.2419 -10.2328 -10.0078 -9.9964 -9.9033 -9.9014 -6.9798 -6.9796 -6.7315 -6.7275 -5.9288 -5.9268 -5.5580 -5.5547 -0.7637 -0.7632 -0.0352 -0.0350 3.7328 3.7365 7.2035 7.2044 8.2403 8.2433 9.0846 9.0883 10.7454 10.7468 k = 0.2427-0.3555 0.0000 ( 2706 PWs) bands (ev): -26.5142 -26.5142 -26.2419 -26.2419 -21.2850 -21.2849 -10.2406 -10.2309 -10.0056 -9.9935 -9.9024 -9.9003 -6.9794 -6.9792 -6.7296 -6.7259 -5.9357 -5.9341 -5.5534 -5.5498 -0.7657 -0.7653 -0.0386 -0.0384 3.7074 3.7111 7.1892 7.1899 8.2035 8.2067 9.1137 9.1169 10.8344 10.8361 k = 0.2349-0.3441 0.0000 ( 2710 PWs) bands (ev): -26.5165 -26.5165 -26.2399 -26.2399 -21.2846 -21.2846 -10.2391 -10.2289 -10.0033 -9.9905 -9.9016 -9.8994 -6.9784 -6.9782 -6.7293 -6.7258 -5.9455 -5.9443 -5.5450 -5.5411 -0.7685 -0.7680 -0.0400 -0.0396 3.6814 3.6849 7.1739 7.1745 8.1645 8.1679 9.1442 9.1471 10.8920 10.8962 k = 0.2270-0.3326 0.0000 ( 2708 PWs) bands (ev): -26.5190 -26.5190 -26.2378 -26.2378 -21.2842 -21.2842 -10.2376 -10.2268 -10.0009 -9.9875 -9.9010 -9.8986 -6.9770 -6.9768 -6.7305 -6.7272 -5.9574 -5.9565 -5.5334 -5.5293 -0.7718 -0.7713 -0.0392 -0.0387 3.6548 3.6583 7.1577 7.1581 8.1238 8.1274 9.1762 9.1787 10.8818 10.8858 k = 0.2192-0.3211 0.0000 ( 2706 PWs) bands (ev): -26.5216 -26.5216 -26.2354 -26.2354 -21.2838 -21.2837 -10.2360 -10.2247 -9.9985 -9.9844 -9.9005 -9.8980 -6.9750 -6.9748 -6.7334 -6.7303 -5.9709 -5.9701 -5.5193 -5.5150 -0.7757 -0.7753 -0.0364 -0.0358 3.6278 3.6311 7.1406 7.1408 8.0822 8.0859 9.2095 9.2117 10.8566 10.8604 k = 0.2114-0.3096 0.0000 ( 2704 PWs) bands (ev): -26.5244 -26.5244 -26.2329 -26.2329 -21.2833 -21.2833 -10.2343 -10.2225 -9.9961 -9.9814 -9.9002 -9.8975 -6.9725 -6.9723 -6.7378 -6.7350 -5.9851 -5.9845 -5.5032 -5.4988 -0.7802 -0.7798 -0.0315 -0.0309 3.6004 3.6036 7.1226 7.1227 8.0399 8.0439 9.2443 9.2462 10.8279 10.8315 k = 0.2035-0.2982 0.0000 ( 2708 PWs) bands (ev): -26.5273 -26.5273 -26.2303 -26.2303 -21.2828 -21.2828 -10.2325 -10.2204 -9.9936 -9.9785 -9.8999 -9.8971 -6.9695 -6.9694 -6.7439 -6.7413 -5.9997 -5.9992 -5.4858 -5.4814 -0.7853 -0.7849 -0.0248 -0.0240 3.5728 3.5759 7.1036 7.1038 7.9975 8.0017 9.2804 9.2820 10.7969 10.8004 k = 0.1957-0.2867 0.0000 ( 2702 PWs) bands (ev): -26.5302 -26.5302 -26.2276 -26.2276 -21.2823 -21.2823 -10.2306 -10.2181 -9.9910 -9.9756 -9.8998 -9.8969 -6.9662 -6.9661 -6.7516 -6.7492 -6.0142 -6.0136 -5.4673 -5.4629 -0.7908 -0.7904 -0.0161 -0.0153 3.5450 3.5480 7.0837 7.0841 7.9554 7.9597 9.3178 9.3192 10.7640 10.7674 k = 0.1879-0.2752 0.0000 ( 2700 PWs) bands (ev): -26.5333 -26.5333 -26.2248 -26.2248 -21.2818 -21.2818 -10.2286 -10.2159 -9.9885 -9.9727 -9.8997 -9.8968 -6.9625 -6.9624 -6.7607 -6.7586 -6.0281 -6.0275 -5.4483 -5.4439 -0.7968 -0.7964 -0.0058 -0.0049 3.5172 3.5201 7.0632 7.0637 7.9137 7.9183 9.3563 9.3575 10.7294 10.7326 k = 0.1801-0.2638 0.0000 ( 2704 PWs) bands (ev): -26.5364 -26.5364 -26.2219 -26.2219 -21.2813 -21.2813 -10.2266 -10.2137 -9.9859 -9.9700 -9.8998 -9.8968 -6.9585 -6.9584 -6.7713 -6.7695 -6.0414 -6.0407 -5.4289 -5.4246 -0.8031 -0.8028 0.0062 0.0072 3.4895 3.4923 7.0419 7.0427 7.8729 7.8775 9.3960 9.3971 10.6932 10.6962 k = 0.1722-0.2523 0.0000 ( 2704 PWs) bands (ev): -26.5396 -26.5396 -26.2190 -26.2190 -21.2808 -21.2808 -10.2246 -10.2115 -9.9834 -9.9673 -9.8999 -9.8968 -6.9543 -6.9541 -6.7831 -6.7815 -6.0538 -6.0531 -5.4095 -5.4052 -0.8099 -0.8095 0.0197 0.0208 3.4620 3.4647 7.0202 7.0211 7.8330 7.8378 9.4368 9.4376 10.6556 10.6584 k = 0.1644-0.2408 0.0000 ( 2696 PWs) bands (ev): -26.5427 -26.5427 -26.2161 -26.2160 -21.2802 -21.2802 -10.2225 -10.2093 -9.9808 -9.9647 -9.9000 -9.8970 -6.9500 -6.9498 -6.7959 -6.7946 -6.0652 -6.0644 -5.3901 -5.3859 -0.8169 -0.8166 0.0345 0.0357 3.4348 3.4373 6.9979 6.9990 7.7943 7.7991 9.4785 9.4792 10.6170 10.6196 k = 0.1566-0.2294 0.0000 ( 2692 PWs) bands (ev): -26.5459 -26.5459 -26.2131 -26.2131 -21.2796 -21.2796 -10.2204 -10.2071 -9.9782 -9.9622 -9.9001 -9.8972 -6.9457 -6.9454 -6.8096 -6.8085 -6.0756 -6.0747 -5.3710 -5.3669 -0.8242 -0.8239 0.0506 0.0517 3.4080 3.4104 6.9754 6.9766 7.7568 7.7617 9.5210 9.5216 10.5777 10.5801 k = 0.1487-0.2179 0.0000 ( 2692 PWs) bands (ev): -26.5490 -26.5490 -26.2102 -26.2102 -21.2791 -21.2791 -10.2182 -10.2051 -9.9756 -9.9599 -9.9003 -9.8974 -6.9416 -6.9411 -6.8237 -6.8229 -6.0850 -6.0841 -5.3522 -5.3483 -0.8317 -0.8314 0.0676 0.0688 3.3817 3.3840 6.9526 6.9540 7.7208 7.7257 9.5642 9.5646 10.5380 10.5403 k = 0.1409-0.2064 0.0000 ( 2695 PWs) bands (ev): -26.5521 -26.5521 -26.2073 -26.2073 -21.2785 -21.2785 -10.2161 -10.2031 -9.9730 -9.9577 -9.9005 -9.8977 -6.9380 -6.9374 -6.8378 -6.8374 -6.0934 -6.0924 -5.3340 -5.3302 -0.8393 -0.8390 0.0855 0.0867 3.3560 3.3582 6.9298 6.9312 7.6862 7.6911 9.6079 9.6083 10.4984 10.5005 k = 0.1331-0.1950 0.0000 ( 2695 PWs) bands (ev): -26.5551 -26.5551 -26.2045 -26.2045 -21.2780 -21.2779 -10.2140 -10.2012 -9.9705 -9.9556 -9.9007 -9.8980 -6.9355 -6.9346 -6.8513 -6.8511 -6.1008 -6.0998 -5.3164 -5.3127 -0.8469 -0.8467 0.1040 0.1052 3.3311 3.3332 6.9070 6.9086 7.6532 7.6581 9.6520 9.6523 10.4591 10.4611 k = 0.1253-0.1835 0.0000 ( 2689 PWs) bands (ev): -26.5580 -26.5580 -26.2017 -26.2017 -21.2774 -21.2774 -10.2119 -10.1994 -9.9680 -9.9537 -9.9009 -9.8983 -6.9348 -6.9335 -6.8634 -6.8630 -6.1074 -6.1064 -5.2994 -5.2959 -0.8546 -0.8544 0.1229 0.1242 3.3070 3.3090 6.8845 6.8862 7.6219 7.6267 9.6963 9.6965 10.4206 10.4224 k = 0.1174-0.1720 0.0000 ( 2683 PWs) bands (ev): -26.5609 -26.5609 -26.1990 -26.1990 -21.2769 -21.2768 -10.2098 -10.1976 -9.9655 -9.9519 -9.9010 -9.8986 -6.9370 -6.9355 -6.8727 -6.8719 -6.1131 -6.1121 -5.2832 -5.2799 -0.8622 -0.8620 0.1421 0.1434 3.2839 3.2857 6.8624 6.8641 7.5922 7.5969 9.7406 9.7407 10.3831 10.3848 k = 0.1096-0.1606 0.0000 ( 2687 PWs) bands (ev): -26.5636 -26.5636 -26.1964 -26.1964 -21.2763 -21.2763 -10.2078 -10.1961 -9.9631 -9.9503 -9.9012 -9.8989 -6.9431 -6.9414 -6.8780 -6.8769 -6.1181 -6.1171 -5.2678 -5.2647 -0.8697 -0.8695 0.1614 0.1626 3.2617 3.2635 6.8409 6.8426 7.5642 7.5688 9.7846 9.7847 10.3469 10.3484 k = 0.1018-0.1491 0.0000 ( 2689 PWs) bands (ev): -26.5662 -26.5662 -26.1940 -26.1940 -21.2758 -21.2758 -10.2058 -10.1947 -9.9608 -9.9488 -9.9014 -9.8991 -6.9527 -6.9510 -6.8793 -6.8783 -6.1225 -6.1215 -5.2532 -5.2503 -0.8770 -0.8768 0.1804 0.1817 3.2407 3.2423 6.8200 6.8217 7.5380 7.5424 9.8280 9.8281 10.3122 10.3136 k = 0.0939-0.1376 0.0000 ( 2695 PWs) bands (ev): -26.5687 -26.5687 -26.1916 -26.1916 -21.2754 -21.2754 -10.2040 -10.1934 -9.9585 -9.9475 -9.9015 -9.8993 -6.9643 -6.9628 -6.8781 -6.8771 -6.1263 -6.1253 -5.2396 -5.2369 -0.8840 -0.8839 0.1991 0.2003 3.2209 3.2223 6.8000 6.8017 7.5136 7.5178 9.8706 9.8707 10.2793 10.2805 k = 0.0861-0.1262 0.0000 ( 2697 PWs) bands (ev): -26.5710 -26.5710 -26.1895 -26.1895 -21.2749 -21.2749 -10.2022 -10.1922 -9.9563 -9.9463 -9.9016 -9.8995 -6.9769 -6.9756 -6.8755 -6.8746 -6.1295 -6.1286 -5.2270 -5.2244 -0.8907 -0.8906 0.2172 0.2184 3.2023 3.2037 6.7810 6.7826 7.4911 7.4950 9.9120 9.9121 10.2483 10.2494 k = 0.0783-0.1147 0.0000 ( 2697 PWs) bands (ev): -26.5731 -26.5731 -26.1874 -26.1874 -21.2745 -21.2745 -10.2004 -10.1912 -9.9543 -9.9453 -9.9018 -9.8996 -6.9896 -6.9884 -6.8722 -6.8715 -6.1323 -6.1314 -5.2153 -5.2129 -0.8971 -0.8970 0.2346 0.2356 3.1852 3.1864 6.7632 6.7647 7.4704 7.4740 9.9519 9.9520 10.2195 10.2205 k = 0.0705-0.1032 0.0000 ( 2695 PWs) bands (ev): -26.5751 -26.5751 -26.1855 -26.1855 -21.2741 -21.2741 -10.1988 -10.1903 -9.9523 -9.9444 -9.9018 -9.8997 -7.0019 -7.0009 -6.8687 -6.8680 -6.1346 -6.1339 -5.2046 -5.2025 -0.9030 -0.9029 0.2509 0.2519 3.1694 3.1705 6.7466 6.7481 7.4515 7.4549 9.9898 9.9899 10.1930 10.1939 k = 0.0626-0.0917 0.0000 ( 2695 PWs) bands (ev): -26.5769 -26.5769 -26.1838 -26.1838 -21.2737 -21.2737 -10.1973 -10.1896 -9.9506 -9.9437 -9.9019 -9.8998 -7.0135 -7.0126 -6.8652 -6.8646 -6.1366 -6.1359 -5.1950 -5.1931 -0.9084 -0.9084 0.2661 0.2670 3.1551 3.1561 6.7314 6.7328 7.4346 7.4377 10.0253 10.0256 10.1690 10.1698 k = 0.0548-0.0803 0.0000 ( 2695 PWs) bands (ev): -26.5785 -26.5785 -26.1823 -26.1823 -21.2734 -21.2734 -10.1959 -10.1891 -9.9489 -9.9430 -9.9019 -9.8998 -7.0241 -7.0233 -6.8618 -6.8613 -6.1383 -6.1376 -5.1864 -5.1847 -0.9134 -0.9133 0.2799 0.2808 3.1424 3.1432 6.7178 6.7190 7.4197 7.4224 10.0578 10.0584 10.1476 10.1485 k = 0.0470-0.0688 0.0000 ( 2699 PWs) bands (ev): -26.5799 -26.5799 -26.1810 -26.1810 -21.2731 -21.2731 -10.1946 -10.1887 -9.9474 -9.9425 -9.9018 -9.8999 -7.0336 -7.0329 -6.8588 -6.8583 -6.1396 -6.1391 -5.1789 -5.1775 -0.9177 -0.9177 0.2923 0.2930 3.1313 3.1320 6.7057 6.7068 7.4067 7.4090 10.0862 10.0876 10.1292 10.1307 k = 0.0391-0.0573 0.0000 ( 2697 PWs) bands (ev): -26.5811 -26.5811 -26.1798 -26.1798 -21.2729 -21.2729 -10.1934 -10.1884 -9.9461 -9.9421 -9.9018 -9.9000 -7.0418 -7.0412 -6.8561 -6.8557 -6.1407 -6.1403 -5.1725 -5.1713 -0.9215 -0.9215 0.3030 0.3036 3.1218 3.1224 6.6954 6.6963 7.3957 7.3977 10.1034 10.1073 10.1195 10.1234 k = 0.0313-0.0459 0.0000 ( 2695 PWs) bands (ev): -26.5821 -26.5821 -26.1789 -26.1789 -21.2727 -21.2727 -10.1923 -10.1883 -9.9450 -9.9419 -9.9016 -9.9001 -7.0486 -7.0481 -6.8538 -6.8535 -6.1416 -6.1412 -5.1673 -5.1663 -0.9246 -0.9246 0.3120 0.3125 3.1140 3.1145 6.6869 6.6876 7.3867 7.3883 10.0963 10.0978 10.1376 10.1391 k = 0.0235-0.0344 0.0000 ( 2693 PWs) bands (ev): -26.5828 -26.5828 -26.1782 -26.1782 -21.2725 -21.2725 -10.1913 -10.1883 -9.9440 -9.9417 -9.9015 -9.9003 -7.0540 -7.0536 -6.8519 -6.8517 -6.1422 -6.1420 -5.1631 -5.1624 -0.9271 -0.9270 0.3191 0.3195 3.1079 3.1083 6.6802 6.6807 7.3797 7.3809 10.0869 10.0877 10.1549 10.1557 k = 0.0157-0.0229 0.0000 ( 2691 PWs) bands (ev): -26.5834 -26.5834 -26.1776 -26.1776 -21.2724 -21.2724 -10.1905 -10.1885 -9.9432 -9.9417 -9.9013 -9.9004 -7.0578 -7.0576 -6.8506 -6.8505 -6.1427 -6.1425 -5.1602 -5.1597 -0.9288 -0.9288 0.3243 0.3245 3.1036 3.1038 6.6754 6.6758 7.3748 7.3756 10.0798 10.0802 10.1677 10.1681 k = 0.0078-0.0115 0.0000 ( 2701 PWs) bands (ev): -26.5837 -26.5837 -26.1773 -26.1773 -21.2723 -21.2723 -10.1898 -10.1888 -9.9427 -9.9419 -9.9011 -9.9006 -7.0601 -7.0600 -6.8498 -6.8497 -6.1429 -6.1428 -5.1583 -5.1581 -0.9299 -0.9299 0.3274 0.3275 3.1010 3.1011 6.6725 6.6727 7.3719 7.3723 10.0755 10.0757 10.1755 10.1757 k = 0.0000 0.0000 0.0000 ( 2695 PWs) bands (ev): -26.5838 -26.5838 -26.1772 -26.1772 -21.2723 -21.2723 -10.1892 -10.1892 -9.9422 -9.9422 -9.9008 -9.9008 -7.0609 -7.0609 -6.8495 -6.8495 -6.1430 -6.1430 -5.1576 -5.1576 -0.9302 -0.9302 0.3285 0.3285 3.1001 3.1001 6.6716 6.6716 7.3710 7.3710 10.0741 10.0741 10.1782 10.1782 k = 0.0000 0.0000 0.0000 ( 2695 PWs) bands (ev): -26.5838 -26.5838 -26.1772 -26.1772 -21.2723 -21.2723 -10.1892 -10.1892 -9.9422 -9.9422 -9.9008 -9.9008 -7.0609 -7.0609 -6.8495 -6.8495 -6.1430 -6.1430 -5.1576 -5.1576 -0.9302 -0.9302 0.3285 0.3285 3.1001 3.1001 6.6716 6.6716 7.3710 7.3710 10.0741 10.0741 10.1782 10.1782 k = 0.0125-0.0049-0.0035 ( 2698 PWs) bands (ev): -26.5838 -26.5838 -26.1773 -26.1773 -21.2723 -21.2723 -10.1898 -10.1888 -9.9426 -9.9419 -9.9013 -9.9004 -7.0604 -7.0603 -6.8497 -6.8496 -6.1430 -6.1429 -5.1581 -5.1579 -0.9300 -0.9300 0.3278 0.3279 3.1012 3.1013 6.6725 6.6727 7.3715 7.3719 10.0741 10.0743 10.1766 10.1768 k = 0.0250-0.0098-0.0070 ( 2695 PWs) bands (ev): -26.5835 -26.5835 -26.1776 -26.1776 -21.2724 -21.2724 -10.1904 -10.1886 -9.9432 -9.9418 -9.9019 -9.9000 -7.0590 -7.0588 -6.8503 -6.8501 -6.1431 -6.1429 -5.1592 -5.1588 -0.9292 -0.9292 0.3260 0.3262 3.1044 3.1046 6.6751 6.6755 7.3732 7.3739 10.0741 10.0744 10.1724 10.1727 k = 0.0375-0.0147-0.0105 ( 2691 PWs) bands (ev): -26.5830 -26.5830 -26.1780 -26.1780 -21.2725 -21.2725 -10.1912 -10.1884 -9.9439 -9.9418 -9.9024 -9.8996 -7.0567 -7.0564 -6.8513 -6.8509 -6.1431 -6.1428 -5.1610 -5.1604 -0.9280 -0.9279 0.3231 0.3234 3.1098 3.1101 6.6796 6.6801 7.3762 7.3773 10.0730 10.0736 10.1665 10.1670 k = 0.0500-0.0196-0.0140 ( 2690 PWs) bands (ev): -26.5823 -26.5823 -26.1786 -26.1786 -21.2726 -21.2726 -10.1920 -10.1883 -9.9447 -9.9419 -9.9030 -9.8992 -7.0534 -7.0530 -6.8527 -6.8521 -6.1431 -6.1428 -5.1634 -5.1626 -0.9262 -0.9261 0.3190 0.3194 3.1173 3.1177 6.6858 6.6865 7.3805 7.3818 10.0689 10.0697 10.1611 10.1618 k = 0.0625-0.0244-0.0175 ( 2691 PWs) bands (ev): -26.5815 -26.5815 -26.1794 -26.1794 -21.2728 -21.2728 -10.1930 -10.1884 -9.9457 -9.9421 -9.9035 -9.8988 -7.0492 -7.0487 -6.8543 -6.8536 -6.1431 -6.1427 -5.1666 -5.1656 -0.9239 -0.9238 0.3138 0.3143 3.1270 3.1274 6.6937 6.6946 7.3859 7.3877 10.0594 10.0602 10.1588 10.1596 k = 0.0750-0.0293-0.0210 ( 2692 PWs) bands (ev): -26.5805 -26.5805 -26.1803 -26.1803 -21.2730 -21.2730 -10.1941 -10.1887 -9.9469 -9.9425 -9.9041 -9.8985 -7.0441 -7.0435 -6.8563 -6.8555 -6.1430 -6.1425 -5.1704 -5.1692 -0.9211 -0.9210 0.3075 0.3081 3.1387 3.1393 6.7034 6.7045 7.3927 7.3947 10.0427 10.0436 10.1615 10.1623 k = 0.0875-0.0342-0.0245 ( 2694 PWs) bands (ev): -26.5793 -26.5793 -26.1814 -26.1814 -21.2732 -21.2732 -10.1952 -10.1890 -9.9482 -9.9430 -9.9047 -9.8982 -7.0382 -7.0375 -6.8586 -6.8577 -6.1429 -6.1423 -5.1749 -5.1736 -0.9179 -0.9178 0.3003 0.3009 3.1524 3.1531 6.7147 6.7159 7.4006 7.4029 10.0191 10.0199 10.1692 10.1699 k = 0.1000-0.0391-0.0280 ( 2692 PWs) bands (ev): -26.5779 -26.5779 -26.1827 -26.1827 -21.2735 -21.2735 -10.1965 -10.1895 -9.9497 -9.9436 -9.9052 -9.8979 -7.0315 -7.0308 -6.8612 -6.8601 -6.1427 -6.1420 -5.1800 -5.1786 -0.9143 -0.9142 0.2920 0.2927 3.1682 3.1689 6.7275 6.7289 7.4098 7.4124 9.9896 9.9904 10.1810 10.1817 k = 0.1125-0.0440-0.0315 ( 2694 PWs) bands (ev): -26.5764 -26.5764 -26.1841 -26.1841 -21.2738 -21.2738 -10.1979 -10.1902 -9.9513 -9.9444 -9.9057 -9.8975 -7.0241 -7.0233 -6.8641 -6.8628 -6.1423 -6.1415 -5.1859 -5.1843 -0.9102 -0.9101 0.2828 0.2836 3.1859 3.1867 6.7419 6.7434 7.4201 7.4230 9.9554 9.9560 10.1960 10.1967 k = 0.1250-0.0489-0.0350 ( 2692 PWs) bands (ev): -26.5747 -26.5747 -26.1857 -26.1857 -21.2742 -21.2742 -10.1993 -10.1909 -9.9530 -9.9453 -9.9061 -9.8972 -7.0160 -7.0151 -6.8671 -6.8657 -6.1417 -6.1408 -5.1924 -5.1906 -0.9058 -0.9056 0.2727 0.2736 3.2054 3.2063 6.7576 6.7593 7.4317 7.4348 9.9172 9.9178 10.2137 10.2144 k = 0.1375-0.0538-0.0385 ( 2697 PWs) bands (ev): -26.5728 -26.5728 -26.1874 -26.1874 -21.2746 -21.2746 -10.2008 -10.1918 -9.9549 -9.9463 -9.9065 -9.8968 -7.0074 -7.0064 -6.8704 -6.8688 -6.1409 -6.1399 -5.1996 -5.1977 -0.9009 -0.9008 0.2619 0.2628 3.2267 3.2277 6.7747 6.7764 7.4444 7.4478 9.8757 9.8763 10.2337 10.2344 k = 0.1500-0.0587-0.0420 ( 2698 PWs) bands (ev): -26.5708 -26.5708 -26.1892 -26.1892 -21.2750 -21.2750 -10.2024 -10.1929 -9.9568 -9.9474 -9.9068 -9.8964 -6.9983 -6.9973 -6.8737 -6.8720 -6.1398 -6.1388 -5.2075 -5.2054 -0.8958 -0.8956 0.2503 0.2513 3.2497 3.2508 6.7929 6.7948 7.4582 7.4619 9.8315 9.8321 10.2557 10.2565 k = 0.1625-0.0636-0.0455 ( 2697 PWs) bands (ev): -26.5687 -26.5687 -26.1912 -26.1912 -21.2754 -21.2754 -10.2041 -10.1940 -9.9589 -9.9487 -9.9070 -9.8960 -6.9889 -6.9878 -6.8771 -6.8752 -6.1384 -6.1374 -5.2161 -5.2138 -0.8903 -0.8901 0.2381 0.2392 3.2743 3.2755 6.8122 6.8141 7.4733 7.4772 9.7851 9.7856 10.2796 10.2804 k = 0.1750-0.0685-0.0490 ( 2696 PWs) bands (ev): -26.5664 -26.5664 -26.1933 -26.1933 -21.2758 -21.2758 -10.2058 -10.1953 -9.9610 -9.9500 -9.9071 -9.8956 -6.9793 -6.9781 -6.8804 -6.8784 -6.1367 -6.1355 -5.2253 -5.2229 -0.8846 -0.8844 0.2253 0.2264 3.3004 3.3016 6.8324 6.8344 7.4895 7.4935 9.7367 9.7373 10.3051 10.3060 k = 0.1875-0.0733-0.0525 ( 2700 PWs) bands (ev): -26.5640 -26.5640 -26.1955 -26.1955 -21.2763 -21.2763 -10.2076 -10.1968 -9.9631 -9.9515 -9.9072 -9.8952 -6.9698 -6.9684 -6.8835 -6.8813 -6.1345 -6.1333 -5.2351 -5.2327 -0.8786 -0.8784 0.2121 0.2132 3.3278 3.3291 6.8534 6.8555 7.5068 7.5110 9.6869 9.6874 10.3321 10.3330 k = 0.2000-0.0782-0.0560 ( 2699 PWs) bands (ev): -26.5615 -26.5615 -26.1978 -26.1978 -21.2768 -21.2768 -10.2094 -10.1983 -9.9653 -9.9531 -9.9071 -9.8947 -6.9606 -6.9591 -6.8861 -6.8837 -6.1319 -6.1307 -5.2456 -5.2431 -0.8725 -0.8723 0.1984 0.1996 3.3565 3.3579 6.8751 6.8772 7.5253 7.5296 9.6359 9.6365 10.3604 10.3613 k = 0.2125-0.0831-0.0595 ( 2696 PWs) bands (ev): -26.5589 -26.5589 -26.2002 -26.2002 -21.2773 -21.2772 -10.2113 -10.1999 -9.9675 -9.9548 -9.9068 -9.8942 -6.9522 -6.9506 -6.8878 -6.8852 -6.1287 -6.1275 -5.2568 -5.2541 -0.8662 -0.8659 0.1844 0.1856 3.3863 3.3877 6.8972 6.8994 7.5449 7.5494 9.5841 9.5846 10.3897 10.3908 k = 0.2250-0.0880-0.0630 ( 2700 PWs) bands (ev): -26.5562 -26.5562 -26.2027 -26.2027 -21.2778 -21.2778 -10.2132 -10.2017 -9.9697 -9.9566 -9.9066 -9.8937 -6.9452 -6.9436 -6.8880 -6.8853 -6.1250 -6.1237 -5.2685 -5.2658 -0.8598 -0.8595 0.1703 0.1715 3.4170 3.4185 6.9197 6.9219 7.5656 7.5702 9.5317 9.5323 10.4200 10.4211 k = 0.2375-0.0929-0.0665 ( 2702 PWs) bands (ev): -26.5535 -26.5535 -26.2053 -26.2053 -21.2783 -21.2783 -10.2151 -10.2036 -9.9718 -9.9585 -9.9062 -9.8932 -6.9402 -6.9387 -6.8861 -6.8833 -6.1207 -6.1194 -5.2809 -5.2781 -0.8533 -0.8530 0.1560 0.1572 3.4485 3.4500 6.9423 6.9445 7.5875 7.5921 9.4791 9.4796 10.4509 10.4521 k = 0.2500-0.0978-0.0700 ( 2705 PWs) bands (ev): -26.5507 -26.5507 -26.2079 -26.2079 -21.2788 -21.2788 -10.2170 -10.2055 -9.9739 -9.9604 -9.9057 -9.8927 -6.9377 -6.9364 -6.8816 -6.8791 -6.1158 -6.1144 -5.2938 -5.2910 -0.8468 -0.8465 0.1416 0.1428 3.4807 3.4822 6.9650 6.9671 7.6104 7.6151 9.4264 9.4270 10.4823 10.4835 k = 0.2625-0.1027-0.0735 ( 2704 PWs) bands (ev): -26.5478 -26.5478 -26.2106 -26.2106 -21.2793 -21.2793 -10.2190 -10.2075 -9.9759 -9.9623 -9.9051 -9.8922 -6.9374 -6.9365 -6.8750 -6.8728 -6.1101 -6.1087 -5.3072 -5.3044 -0.8402 -0.8400 0.1273 0.1285 3.5133 3.5148 6.9874 6.9895 7.6345 7.6391 9.3740 9.3745 10.5139 10.5152 k = 0.2750-0.1076-0.0770 ( 2702 PWs) bands (ev): -26.5449 -26.5449 -26.2133 -26.2133 -21.2798 -21.2798 -10.2208 -10.2095 -9.9779 -9.9643 -9.9044 -9.8917 -6.9387 -6.9381 -6.8670 -6.8650 -6.1038 -6.1024 -5.3212 -5.3183 -0.8337 -0.8335 0.1132 0.1143 3.5461 3.5476 7.0096 7.0116 7.6596 7.6642 9.3220 9.3225 10.5455 10.5468 k = 0.2875-0.1125-0.0805 ( 2701 PWs) bands (ev): -26.5420 -26.5420 -26.2160 -26.2160 -21.2803 -21.2803 -10.2227 -10.2116 -9.9797 -9.9663 -9.9037 -9.8913 -6.9412 -6.9407 -6.8583 -6.8565 -6.0967 -6.0953 -5.3356 -5.3327 -0.8274 -0.8271 0.0992 0.1004 3.5789 3.5804 7.0312 7.0332 7.6856 7.6902 9.2707 9.2712 10.5767 10.5781 k = 0.3000-0.1173-0.0840 ( 2703 PWs) bands (ev): -26.5391 -26.5391 -26.2187 -26.2187 -21.2808 -21.2808 -10.2245 -10.2137 -9.9815 -9.9683 -9.9029 -9.8908 -6.9442 -6.9438 -6.8492 -6.8476 -6.0889 -6.0875 -5.3504 -5.3476 -0.8211 -0.8208 0.0856 0.0867 3.6116 3.6131 7.0522 7.0541 7.7126 7.7170 9.2202 9.2207 10.6074 10.6089 k = 0.3125-0.1222-0.0875 ( 2708 PWs) bands (ev): -26.5362 -26.5362 -26.2214 -26.2214 -21.2813 -21.2813 -10.2263 -10.2158 -9.9831 -9.9702 -9.9021 -9.8904 -6.9477 -6.9472 -6.8402 -6.8387 -6.0804 -6.0790 -5.3656 -5.3627 -0.8150 -0.8147 0.0724 0.0735 3.6439 3.6454 7.0724 7.0742 7.7403 7.7447 9.1707 9.1712 10.6373 10.6388 k = 0.3250-0.1271-0.0910 ( 2709 PWs) bands (ev): -26.5334 -26.5334 -26.2240 -26.2240 -21.2817 -21.2817 -10.2280 -10.2180 -9.9847 -9.9722 -9.9012 -9.8900 -6.9512 -6.9508 -6.8315 -6.8301 -6.0712 -6.0698 -5.3810 -5.3782 -0.8091 -0.8088 0.0596 0.0607 3.6756 3.6771 7.0918 7.0934 7.7688 7.7730 9.1225 9.1230 10.6661 10.6677 k = 0.3375-0.1320-0.0945 ( 2711 PWs) bands (ev): -26.5307 -26.5306 -26.2266 -26.2266 -21.2822 -21.2822 -10.2296 -10.2201 -9.9860 -9.9741 -9.9003 -9.8896 -6.9548 -6.9544 -6.8230 -6.8218 -6.0614 -6.0600 -5.3966 -5.3939 -0.8034 -0.8032 0.0474 0.0484 3.7065 3.7079 7.1101 7.1116 7.7977 7.8018 9.0758 9.0762 10.6936 10.6952 k = 0.3500-0.1369-0.0980 ( 2714 PWs) bands (ev): -26.5280 -26.5280 -26.2292 -26.2291 -21.2826 -21.2826 -10.2312 -10.2221 -9.9873 -9.9759 -9.8994 -9.8893 -6.9584 -6.9579 -6.8151 -6.8139 -6.0511 -6.0497 -5.4123 -5.4096 -0.7980 -0.7978 0.0358 0.0367 3.7363 3.7376 7.1274 7.1287 7.8270 7.8309 9.0307 9.0311 10.7195 10.7211 k = 0.3625-0.1418-0.1015 ( 2717 PWs) bands (ev): -26.5254 -26.5254 -26.2316 -26.2316 -21.2830 -21.2830 -10.2326 -10.2241 -9.9884 -9.9777 -9.8985 -9.8890 -6.9618 -6.9613 -6.8077 -6.8066 -6.0403 -6.0389 -5.4280 -5.4254 -0.7929 -0.7927 0.0249 0.0257 3.7648 3.7661 7.1435 7.1447 7.8563 7.8600 8.9873 8.9878 10.7437 10.7453 k = 0.3750-0.1467-0.1050 ( 2716 PWs) bands (ev): -26.5230 -26.5230 -26.2339 -26.2339 -21.2834 -21.2834 -10.2339 -10.2260 -9.9894 -9.9794 -9.8975 -9.8888 -6.9650 -6.9646 -6.8009 -6.7999 -6.0292 -6.0279 -5.4435 -5.4410 -0.7882 -0.7879 0.0147 0.0155 3.7918 3.7930 7.1583 7.1594 7.8854 7.8890 8.9461 8.9466 10.7660 10.7676 k = 0.3875-0.1516-0.1085 ( 2714 PWs) bands (ev): -26.5207 -26.5207 -26.2360 -26.2360 -21.2837 -21.2837 -10.2350 -10.2278 -9.9902 -9.9811 -9.8966 -9.8886 -6.9681 -6.9676 -6.7947 -6.7938 -6.0179 -6.0166 -5.4587 -5.4563 -0.7837 -0.7835 0.0053 0.0061 3.8170 3.8182 7.1719 7.1728 7.9141 7.9174 8.9071 8.9076 10.7862 10.7877 k = 0.4000-0.1565-0.1120 ( 2712 PWs) bands (ev): -26.5185 -26.5185 -26.2380 -26.2380 -21.2840 -21.2840 -10.2360 -10.2296 -9.9909 -9.9826 -9.8957 -9.8885 -6.9709 -6.9704 -6.7891 -6.7883 -6.0067 -6.0055 -5.4733 -5.4711 -0.7797 -0.7795 -0.0032 -0.0025 3.8403 3.8414 7.1841 7.1849 7.9419 7.9449 8.8706 8.8711 10.8041 10.8055 k = 0.4125-0.1614-0.1155 ( 2710 PWs) bands (ev): -26.5166 -26.5166 -26.2399 -26.2399 -21.2843 -21.2843 -10.2369 -10.2312 -9.9914 -9.9841 -9.8948 -9.8884 -6.9733 -6.9730 -6.7842 -6.7835 -5.9957 -5.9945 -5.4872 -5.4852 -0.7761 -0.7759 -0.0108 -0.0103 3.8614 3.8624 7.1949 7.1956 7.9684 7.9712 8.8369 8.8374 10.8196 10.8210 k = 0.4250-0.1662-0.1190 ( 2712 PWs) bands (ev): -26.5149 -26.5149 -26.2415 -26.2415 -21.2846 -21.2846 -10.2376 -10.2327 -9.9918 -9.9854 -9.8940 -9.8885 -6.9756 -6.9752 -6.7799 -6.7793 -5.9852 -5.9842 -5.5002 -5.4983 -0.7729 -0.7728 -0.0175 -0.0170 3.8802 3.8810 7.2044 7.2050 7.9932 7.9956 8.8063 8.8068 10.8327 10.8339 k = 0.4375-0.1711-0.1225 ( 2713 PWs) bands (ev): -26.5134 -26.5134 -26.2429 -26.2429 -21.2848 -21.2848 -10.2382 -10.2340 -9.9921 -9.9867 -9.8932 -9.8885 -6.9775 -6.9772 -6.7763 -6.7758 -5.9756 -5.9746 -5.5118 -5.5102 -0.7702 -0.7701 -0.0233 -0.0228 3.8964 3.8971 7.2124 7.2129 8.0157 8.0178 8.7793 8.7798 10.8434 10.8445 k = 0.4500-0.1760-0.1261 ( 2712 PWs) bands (ev): -26.5121 -26.5121 -26.2441 -26.2441 -21.2850 -21.2850 -10.2386 -10.2352 -9.9921 -9.9878 -9.8925 -9.8887 -6.9790 -6.9788 -6.7734 -6.7730 -5.9670 -5.9662 -5.5220 -5.5206 -0.7680 -0.7679 -0.0280 -0.0276 3.9099 3.9104 7.2190 7.2194 8.0353 8.0371 8.7562 8.7567 10.8517 10.8526 k = 0.4625-0.1809-0.1296 ( 2714 PWs) bands (ev): -26.5112 -26.5112 -26.2450 -26.2450 -21.2851 -21.2851 -10.2388 -10.2362 -9.9921 -9.9888 -9.8918 -9.8889 -6.9802 -6.9801 -6.7711 -6.7708 -5.9599 -5.9593 -5.5302 -5.5292 -0.7662 -0.7661 -0.0317 -0.0314 3.9205 3.9209 7.2241 7.2244 8.0515 8.0529 8.7376 8.7380 10.8579 10.8586 k = 0.4750-0.1858-0.1331 ( 2720 PWs) bands (ev): -26.5105 -26.5105 -26.2457 -26.2457 -21.2852 -21.2852 -10.2388 -10.2371 -9.9919 -9.9897 -9.8911 -9.8892 -6.9811 -6.9810 -6.7694 -6.7692 -5.9545 -5.9541 -5.5363 -5.5356 -0.7650 -0.7649 -0.0343 -0.0341 3.9282 3.9285 7.2278 7.2280 8.0637 8.0646 8.7239 8.7241 10.8620 10.8625 k = 0.4875-0.1907-0.1366 ( 2718 PWs) bands (ev): -26.5100 -26.5100 -26.2461 -26.2461 -21.2852 -21.2852 -10.2386 -10.2378 -9.9915 -9.9904 -9.8906 -9.8896 -6.9816 -6.9816 -6.7684 -6.7683 -5.9511 -5.9509 -5.5400 -5.5396 -0.7642 -0.7642 -0.0359 -0.0358 3.9329 3.9330 7.2301 7.2301 8.0713 8.0718 8.7155 8.7156 10.8645 10.8647 k = 0.5000-0.1956-0.1401 ( 2716 PWs) bands (ev): -26.5099 -26.5099 -26.2462 -26.2462 -21.2853 -21.2853 -10.2383 -10.2383 -9.9911 -9.9911 -9.8900 -9.8900 -6.9818 -6.9818 -6.7681 -6.7681 -5.9499 -5.9499 -5.5411 -5.5411 -0.7639 -0.7639 -0.0364 -0.0364 3.9345 3.9345 7.2308 7.2308 8.0741 8.0741 8.7127 8.7127 10.8653 10.8653 k = 0.5000-0.1956 0.4078 ( 2706 PWs) bands (ev): -26.5054 -26.5054 -26.2414 -26.2414 -21.2963 -21.2963 -10.2770 -10.2770 -10.0331 -10.0331 -9.9420 -9.9420 -6.9005 -6.9005 -6.7497 -6.7497 -6.0089 -6.0089 -5.4140 -5.4140 -0.9810 -0.9810 0.1189 0.1189 4.0073 4.0073 6.8067 6.8067 8.7573 8.7573 9.4105 9.4105 10.2315 10.2315 k = 0.4896-0.1915 0.3993 ( 2706 PWs) bands (ev): -26.5054 -26.5054 -26.2414 -26.2414 -21.2963 -21.2963 -10.2772 -10.2766 -10.0333 -10.0327 -9.9421 -9.9419 -6.9008 -6.9006 -6.7500 -6.7497 -6.0090 -6.0087 -5.4140 -5.4137 -0.9807 -0.9805 0.1188 0.1189 4.0062 4.0063 6.8066 6.8067 8.7523 8.7532 9.4121 9.4129 10.2338 10.2343 k = 0.4792-0.1874 0.3908 ( 2708 PWs) bands (ev): -26.5056 -26.5056 -26.2413 -26.2413 -21.2962 -21.2962 -10.2773 -10.2759 -10.0334 -10.0322 -9.9421 -9.9417 -6.9016 -6.9013 -6.7504 -6.7498 -6.0090 -6.0085 -5.4137 -5.4131 -0.9796 -0.9791 0.1187 0.1190 4.0031 4.0033 6.8062 6.8064 8.7387 8.7403 9.4174 9.4189 10.2412 10.2421 k = 0.4688-0.1834 0.3823 ( 2707 PWs) bands (ev): -26.5059 -26.5059 -26.2411 -26.2411 -21.2960 -21.2960 -10.2771 -10.2751 -10.0334 -10.0316 -9.9421 -9.9415 -6.9030 -6.9025 -6.7510 -6.7502 -6.0090 -6.0083 -5.4131 -5.4123 -0.9777 -0.9770 0.1187 0.1190 3.9980 3.9983 6.8057 6.8059 8.7171 8.7195 9.4258 9.4280 10.2534 10.2547 k = 0.4583-0.1793 0.3738 ( 2707 PWs) bands (ev): -26.5062 -26.5062 -26.2409 -26.2409 -21.2957 -21.2957 -10.2768 -10.2741 -10.0332 -10.0309 -9.9421 -9.9412 -6.9048 -6.9041 -6.7519 -6.7507 -6.0090 -6.0080 -5.4122 -5.4112 -0.9750 -0.9740 0.1186 0.1190 3.9908 3.9913 6.8049 6.8052 8.6889 8.6919 9.4364 9.4392 10.2700 10.2716 k = 0.4479-0.1752 0.3653 ( 2703 PWs) bands (ev): -26.5067 -26.5067 -26.2407 -26.2407 -21.2953 -21.2953 -10.2763 -10.2729 -10.0328 -10.0300 -9.9420 -9.9409 -6.9070 -6.9062 -6.7529 -6.7515 -6.0090 -6.0078 -5.4110 -5.4097 -0.9716 -0.9704 0.1185 0.1191 3.9817 3.9823 6.8038 6.8043 8.6551 8.6587 9.4485 9.4517 10.2903 10.2923 k = 0.4375-0.1711 0.3568 ( 2700 PWs) bands (ev): -26.5073 -26.5073 -26.2403 -26.2403 -21.2949 -21.2949 -10.2755 -10.2716 -10.0323 -10.0290 -9.9418 -9.9405 -6.9096 -6.9086 -6.7542 -6.7525 -6.0091 -6.0077 -5.4094 -5.4078 -0.9674 -0.9660 0.1185 0.1191 3.9707 3.9714 6.8025 6.8031 8.6171 8.6211 9.4614 9.4649 10.3136 10.3160 k = 0.4271-0.1671 0.3484 ( 2700 PWs) bands (ev): -26.5080 -26.5080 -26.2399 -26.2399 -21.2944 -21.2944 -10.2746 -10.2700 -10.0317 -10.0278 -9.9416 -9.9401 -6.9125 -6.9114 -6.7558 -6.7538 -6.0093 -6.0076 -5.4074 -5.4056 -0.9626 -0.9611 0.1185 0.1193 3.9578 3.9586 6.8010 6.8017 8.5758 8.5802 9.4746 9.4783 10.3391 10.3418 k = 0.4167-0.1630 0.3399 ( 2702 PWs) bands (ev): -26.5088 -26.5088 -26.2393 -26.2393 -21.2938 -21.2938 -10.2736 -10.2684 -10.0309 -10.0266 -9.9414 -9.9396 -6.9156 -6.9145 -6.7576 -6.7553 -6.0097 -6.0078 -5.4049 -5.4030 -0.9573 -0.9556 0.1187 0.1195 3.9431 3.9440 6.7991 6.7999 8.5322 8.5369 9.4877 9.4916 10.3657 10.3687 k = 0.4062-0.1589 0.3314 ( 2700 PWs) bands (ev): -26.5098 -26.5098 -26.2387 -26.2387 -21.2932 -21.2932 -10.2723 -10.2665 -10.0300 -10.0252 -9.9411 -9.9391 -6.9190 -6.9178 -6.7597 -6.7572 -6.0104 -6.0082 -5.4020 -5.3999 -0.9514 -0.9496 0.1189 0.1198 3.9267 3.9276 6.7970 6.7979 8.4870 8.4919 9.5007 9.5047 10.3925 10.3957 k = 0.3958-0.1548 0.3229 ( 2699 PWs) bands (ev): -26.5109 -26.5109 -26.2380 -26.2380 -21.2925 -21.2925 -10.2709 -10.2645 -10.0289 -10.0237 -9.9407 -9.9385 -6.9225 -6.9212 -6.7622 -6.7593 -6.0113 -6.0088 -5.3986 -5.3963 -0.9452 -0.9432 0.1194 0.1203 3.9086 3.9096 6.7945 6.7956 8.4408 8.4459 9.5136 9.5176 10.4184 10.4218 k = 0.3854-0.1508 0.3144 ( 2696 PWs) bands (ev): -26.5121 -26.5121 -26.2372 -26.2372 -21.2918 -21.2918 -10.2694 -10.2624 -10.0277 -10.0221 -9.9403 -9.9378 -6.9261 -6.9248 -6.7649 -6.7618 -6.0126 -6.0098 -5.3946 -5.3922 -0.9386 -0.9366 0.1200 0.1209 3.8889 3.8900 6.7917 6.7929 8.3941 8.3994 9.5265 9.5304 10.4424 10.4460 k = 0.3750-0.1467 0.3059 ( 2694 PWs) bands (ev): -26.5134 -26.5134 -26.2363 -26.2363 -21.2910 -21.2910 -10.2677 -10.2602 -10.0263 -10.0203 -9.9398 -9.9370 -6.9298 -6.9284 -6.7680 -6.7646 -6.0142 -6.0112 -5.3901 -5.3876 -0.9318 -0.9297 0.1209 0.1218 3.8678 3.8689 6.7885 6.7899 8.3473 8.3527 9.5394 9.5434 10.4637 10.4674 k = 0.3646-0.1426 0.2974 ( 2692 PWs) bands (ev): -26.5149 -26.5149 -26.2353 -26.2353 -21.2902 -21.2902 -10.2658 -10.2578 -10.0248 -10.0185 -9.9392 -9.9362 -6.9335 -6.9320 -6.7715 -6.7678 -6.0163 -6.0130 -5.3851 -5.3824 -0.9249 -0.9228 0.1221 0.1230 3.8452 3.8465 6.7849 6.7865 8.3007 8.3063 9.5526 9.5565 10.4815 10.4854 k = 0.3542-0.1385 0.2889 ( 2694 PWs) bands (ev): -26.5165 -26.5165 -26.2342 -26.2342 -21.2894 -21.2894 -10.2639 -10.2553 -10.0231 -10.0165 -9.9387 -9.9353 -6.9372 -6.9356 -6.7752 -6.7713 -6.0187 -6.0152 -5.3795 -5.3767 -0.9180 -0.9159 0.1235 0.1245 3.8214 3.8227 6.7810 6.7828 8.2545 8.2603 9.5663 9.5701 10.4955 10.4994 k = 0.3438-0.1345 0.2804 ( 2696 PWs) bands (ev): -26.5182 -26.5182 -26.2330 -26.2330 -21.2885 -21.2885 -10.2618 -10.2528 -10.0212 -10.0144 -9.9380 -9.9344 -6.9408 -6.9392 -6.7794 -6.7751 -6.0216 -6.0178 -5.3734 -5.3705 -0.9111 -0.9090 0.1254 0.1264 3.7965 3.7978 6.7767 6.7787 8.2091 8.2150 9.5806 9.5843 10.5054 10.5093 k = 0.3333-0.1304 0.2719 ( 2699 PWs) bands (ev): -26.5201 -26.5201 -26.2316 -26.2316 -21.2877 -21.2876 -10.2596 -10.2502 -10.0193 -10.0122 -9.9373 -9.9334 -6.9443 -6.9426 -6.7838 -6.7792 -6.0250 -6.0209 -5.3667 -5.3638 -0.9045 -0.9025 0.1277 0.1287 3.7704 3.7718 6.7721 6.7742 8.1645 8.1705 9.5956 9.5993 10.5113 10.5152 k = 0.3229-0.1263 0.2634 ( 2696 PWs) bands (ev): -26.5221 -26.5220 -26.2301 -26.2301 -21.2868 -21.2867 -10.2573 -10.2474 -10.0171 -10.0099 -9.9365 -9.9323 -6.9477 -6.9458 -6.7885 -6.7836 -6.0287 -6.0244 -5.3595 -5.3566 -0.8981 -0.8962 0.1305 0.1314 3.7435 3.7449 6.7671 6.7694 8.1208 8.1270 9.6115 9.6150 10.5136 10.5175 k = 0.3125-0.1222 0.2549 ( 2701 PWs) bands (ev): -26.5242 -26.5242 -26.2285 -26.2285 -21.2859 -21.2859 -10.2549 -10.2447 -10.0148 -10.0075 -9.9357 -9.9311 -6.9510 -6.9490 -6.7936 -6.7883 -6.0328 -6.0283 -5.3519 -5.3489 -0.8922 -0.8903 0.1337 0.1347 3.7158 3.7172 6.7618 6.7643 8.0782 8.0846 9.6283 9.6318 10.5128 10.5166 k = 0.3021-0.1182 0.2464 ( 2699 PWs) bands (ev): -26.5264 -26.5264 -26.2268 -26.2268 -21.2850 -21.2850 -10.2524 -10.2419 -10.0124 -10.0049 -9.9348 -9.9299 -6.9541 -6.9519 -6.7989 -6.7933 -6.0373 -6.0325 -5.3438 -5.3409 -0.8867 -0.8850 0.1375 0.1384 3.6874 3.6888 6.7561 6.7589 8.0368 8.0432 9.6462 9.6496 10.5093 10.5130 k = 0.2917-0.1141 0.2379 ( 2697 PWs) bands (ev): -26.5287 -26.5287 -26.2250 -26.2250 -21.2841 -21.2841 -10.2499 -10.2390 -10.0099 -10.0023 -9.9338 -9.9286 -6.9571 -6.9547 -6.8044 -6.7984 -6.0420 -6.0371 -5.3354 -5.3325 -0.8817 -0.8802 0.1418 0.1428 3.6584 3.6599 6.7503 6.7532 7.9965 8.0031 9.6652 9.6684 10.5037 10.5073 k = 0.2812-0.1100 0.2294 ( 2706 PWs) bands (ev): -26.5311 -26.5311 -26.2231 -26.2231 -21.2832 -21.2832 -10.2473 -10.2362 -10.0072 -9.9996 -9.9328 -9.9273 -6.9601 -6.9574 -6.8101 -6.8037 -6.0471 -6.0420 -5.3267 -5.3238 -0.8775 -0.8761 0.1467 0.1477 3.6290 3.6305 6.7442 6.7473 7.9574 7.9641 9.6853 9.6883 10.4965 10.4999 k = 0.2708-0.1059 0.2209 ( 2708 PWs) bands (ev): -26.5336 -26.5336 -26.2211 -26.2211 -21.2824 -21.2824 -10.2446 -10.2333 -10.0044 -9.9968 -9.9318 -9.9259 -6.9629 -6.9600 -6.8158 -6.8092 -6.0524 -6.0471 -5.3177 -5.3148 -0.8739 -0.8727 0.1522 0.1532 3.5994 3.6009 6.7379 6.7413 7.9195 7.9263 9.7064 9.7093 10.4880 10.4913 k = 0.2604-0.1019 0.2124 ( 2709 PWs) bands (ev): -26.5362 -26.5362 -26.2190 -26.2190 -21.2816 -21.2816 -10.2418 -10.2304 -10.0016 -9.9939 -9.9307 -9.9245 -6.9657 -6.9626 -6.8216 -6.8146 -6.0578 -6.0524 -5.3086 -5.3057 -0.8711 -0.8701 0.1582 0.1593 3.5696 3.5711 6.7316 6.7352 7.8828 7.8897 9.7286 9.7313 10.4785 10.4817 k = 0.2500-0.0978 0.2039 ( 2708 PWs) bands (ev): -26.5389 -26.5388 -26.2168 -26.2168 -21.2808 -21.2808 -10.2391 -10.2275 -9.9986 -9.9910 -9.9295 -9.9230 -6.9685 -6.9651 -6.8274 -6.8200 -6.0633 -6.0579 -5.2993 -5.2964 -0.8690 -0.8682 0.1648 0.1660 3.5398 3.5413 6.7252 6.7290 7.8473 7.8543 9.7517 9.7542 10.4683 10.4712 k = 0.2396-0.0937 0.1954 ( 2709 PWs) bands (ev): -26.5415 -26.5415 -26.2146 -26.2146 -21.2800 -21.2800 -10.2363 -10.2246 -9.9955 -9.9880 -9.9284 -9.9216 -6.9714 -6.9677 -6.8330 -6.8253 -6.0689 -6.0634 -5.2899 -5.2871 -0.8678 -0.8671 0.1719 0.1733 3.5102 3.5116 6.7188 6.7229 7.8129 7.8200 9.7756 9.7780 10.4572 10.4601 k = 0.2292-0.0896 0.1869 ( 2710 PWs) bands (ev): -26.5443 -26.5443 -26.2123 -26.2123 -21.2793 -21.2792 -10.2335 -10.2218 -9.9924 -9.9850 -9.9271 -9.9200 -6.9745 -6.9705 -6.8383 -6.8304 -6.0744 -6.0689 -5.2806 -5.2778 -0.8673 -0.8668 0.1796 0.1810 3.4807 3.4822 6.7126 6.7168 7.7798 7.7869 9.8003 9.8025 10.4454 10.4481 k = 0.2188-0.0856 0.1784 ( 2707 PWs) bands (ev): -26.5470 -26.5470 -26.2100 -26.2100 -21.2786 -21.2785 -10.2307 -10.2190 -9.9892 -9.9820 -9.9259 -9.9185 -6.9777 -6.9734 -6.8434 -6.8352 -6.0800 -6.0745 -5.2713 -5.2686 -0.8676 -0.8671 0.1877 0.1892 3.4517 3.4531 6.7066 6.7110 7.7477 7.7549 9.8256 9.8276 10.4327 10.4352 k = 0.2083-0.0815 0.1699 ( 2704 PWs) bands (ev): -26.5497 -26.5497 -26.2077 -26.2077 -21.2779 -21.2779 -10.2278 -10.2162 -9.9860 -9.9789 -9.9246 -9.9170 -6.9811 -6.9767 -6.8479 -6.8395 -6.0854 -6.0800 -5.2621 -5.2595 -0.8687 -0.8682 0.1961 0.1978 3.4231 3.4245 6.7008 6.7053 7.7168 7.7240 9.8512 9.8530 10.4188 10.4212 k = 0.1979-0.0774 0.1614 ( 2705 PWs) bands (ev): -26.5525 -26.5525 -26.2053 -26.2053 -21.2773 -21.2773 -10.2250 -10.2135 -9.9828 -9.9758 -9.9233 -9.9154 -6.9849 -6.9803 -6.8519 -6.8434 -6.0908 -6.0854 -5.2531 -5.2505 -0.8705 -0.8699 0.2050 0.2066 3.3951 3.3965 6.6953 6.7000 7.6870 7.6942 9.8770 9.8786 10.4036 10.4058 k = 0.1875-0.0733 0.1529 ( 2704 PWs) bands (ev): -26.5552 -26.5552 -26.2030 -26.2030 -21.2767 -21.2767 -10.2223 -10.2110 -9.9796 -9.9728 -9.9220 -9.9139 -6.9890 -6.9843 -6.8553 -6.8468 -6.0959 -6.0906 -5.2443 -5.2418 -0.8730 -0.8722 0.2140 0.2158 3.3679 3.3692 6.6903 6.6950 7.6583 7.6654 9.9028 9.9042 10.3869 10.3890 k = 0.1771-0.0693 0.1444 ( 2704 PWs) bands (ev): -26.5578 -26.5578 -26.2007 -26.2007 -21.2761 -21.2761 -10.2195 -10.2085 -9.9764 -9.9698 -9.9207 -9.9124 -6.9934 -6.9887 -6.8579 -6.8496 -6.1009 -6.0958 -5.2357 -5.2334 -0.8759 -0.8751 0.2233 0.2251 3.3415 3.3428 6.6856 6.6905 7.6306 7.6377 9.9283 9.9295 10.3686 10.3704 k = 0.1667-0.0652 0.1359 ( 2704 PWs) bands (ev): -26.5604 -26.5604 -26.1984 -26.1984 -21.2756 -21.2756 -10.2168 -10.2061 -9.9733 -9.9669 -9.9193 -9.9109 -6.9982 -6.9936 -6.8600 -6.8518 -6.1057 -6.1007 -5.2275 -5.2252 -0.8794 -0.8785 0.2326 0.2345 3.3161 3.3173 6.6815 6.6864 7.6040 7.6110 9.9534 9.9544 10.3486 10.3503 k = 0.1562-0.0611 0.1274 ( 2703 PWs) bands (ev): -26.5629 -26.5629 -26.1962 -26.1962 -21.2752 -21.2752 -10.2142 -10.2038 -9.9702 -9.9640 -9.9180 -9.9095 -7.0033 -6.9988 -6.8613 -6.8534 -6.1102 -6.1054 -5.2196 -5.2174 -0.8832 -0.8822 0.2420 0.2438 3.2917 3.2928 6.6779 6.6828 7.5786 7.5854 9.9778 9.9785 10.3271 10.3287 k = 0.1458-0.0570 0.1189 ( 2700 PWs) bands (ev): -26.5654 -26.5654 -26.1940 -26.1940 -21.2747 -21.2747 -10.2117 -10.2016 -9.9672 -9.9612 -9.9166 -9.9081 -7.0086 -7.0043 -6.8620 -6.8545 -6.1145 -6.1099 -5.2120 -5.2100 -0.8874 -0.8863 0.2513 0.2531 3.2684 3.2695 6.6748 6.6797 7.5543 7.5610 10.0012 10.0018 10.3045 10.3059 k = 0.1354-0.0530 0.1105 ( 2698 PWs) bands (ev): -26.5677 -26.5677 -26.1919 -26.1919 -21.2744 -21.2744 -10.2092 -10.1996 -9.9643 -9.9586 -9.9153 -9.9068 -7.0141 -7.0101 -6.8622 -6.8550 -6.1185 -6.1141 -5.2049 -5.2030 -0.8917 -0.8906 0.2603 0.2621 3.2463 3.2473 6.6723 6.6771 7.5311 7.5376 10.0235 10.0240 10.2810 10.2824 k = 0.1250-0.0489 0.1020 ( 2699 PWs) bands (ev): -26.5699 -26.5699 -26.1899 -26.1899 -21.2740 -21.2740 -10.2068 -10.1978 -9.9616 -9.9560 -9.9139 -9.9056 -7.0197 -7.0159 -6.8619 -6.8552 -6.1223 -6.1181 -5.1982 -5.1964 -0.8962 -0.8951 0.2692 0.2709 3.2256 3.2265 6.6703 6.6750 7.5092 7.5154 10.0444 10.0448 10.2573 10.2586 k = 0.1146-0.0448 0.0935 ( 2699 PWs) bands (ev): -26.5720 -26.5720 -26.1880 -26.1880 -21.2737 -21.2737 -10.2046 -10.1961 -9.9589 -9.9537 -9.9126 -9.9045 -7.0252 -7.0218 -6.8612 -6.8550 -6.1257 -6.1218 -5.1920 -5.1903 -0.9006 -0.8995 0.2776 0.2793 3.2062 3.2071 6.6689 6.6735 7.4885 7.4945 10.0638 10.0642 10.2339 10.2350 k = 0.1042-0.0407 0.0850 ( 2697 PWs) bands (ev): -26.5740 -26.5740 -26.1862 -26.1862 -21.2734 -21.2734 -10.2024 -10.1945 -9.9564 -9.9515 -9.9112 -9.9034 -7.0306 -7.0275 -6.8602 -6.8545 -6.1289 -6.1253 -5.1862 -5.1847 -0.9051 -0.9040 0.2857 0.2872 3.1883 3.1891 6.6680 6.6723 7.4692 7.4748 10.0813 10.0818 10.2112 10.2124 k = 0.0938-0.0367 0.0765 ( 2691 PWs) bands (ev): -26.5758 -26.5758 -26.1846 -26.1846 -21.2732 -21.2732 -10.2004 -10.1931 -9.9541 -9.9495 -9.9099 -9.9025 -7.0359 -7.0330 -6.8590 -6.8538 -6.1317 -6.1284 -5.1809 -5.1795 -0.9093 -0.9083 0.2932 0.2947 3.1719 3.1726 6.6675 6.6716 7.4513 7.4566 10.0966 10.0973 10.1901 10.1913 k = 0.0833-0.0326 0.0680 ( 2693 PWs) bands (ev): -26.5774 -26.5774 -26.1831 -26.1831 -21.2730 -21.2730 -10.1985 -10.1920 -9.9520 -9.9477 -9.9086 -9.9017 -7.0408 -7.0383 -6.8577 -6.8531 -6.1342 -6.1312 -5.1762 -5.1749 -0.9134 -0.9124 0.3002 0.3015 3.1571 3.1577 6.6674 6.6712 7.4350 7.4398 10.1088 10.1099 10.1717 10.1731 k = 0.0729-0.0285 0.0595 ( 2694 PWs) bands (ev): -26.5789 -26.5789 -26.1818 -26.1818 -21.2728 -21.2728 -10.1968 -10.1909 -9.9500 -9.9461 -9.9074 -9.9011 -7.0453 -7.0431 -6.8563 -6.8523 -6.1365 -6.1338 -5.1719 -5.1708 -0.9171 -0.9162 0.3065 0.3077 3.1439 3.1445 6.6676 6.6711 7.4203 7.4247 10.1155 10.1170 10.1588 10.1604 k = 0.0625-0.0244 0.0510 ( 2692 PWs) bands (ev): -26.5802 -26.5802 -26.1806 -26.1806 -21.2727 -21.2727 -10.1952 -10.1901 -9.9482 -9.9448 -9.9062 -9.9005 -7.0493 -7.0475 -6.8549 -6.8514 -6.1383 -6.1360 -5.1682 -5.1673 -0.9205 -0.9197 0.3121 0.3131 3.1324 3.1329 6.6681 6.6712 7.4073 7.4112 10.1132 10.1146 10.1556 10.1570 k = 0.0521-0.0204 0.0425 ( 2692 PWs) bands (ev): -26.5813 -26.5813 -26.1796 -26.1796 -21.2726 -21.2725 -10.1937 -10.1895 -9.9467 -9.9437 -9.9050 -9.9002 -7.0529 -7.0513 -6.8536 -6.8507 -6.1399 -6.1380 -5.1651 -5.1643 -0.9234 -0.9227 0.3169 0.3178 3.1226 3.1230 6.6687 6.6714 7.3962 7.3995 10.1044 10.1054 10.1598 10.1608 k = 0.0417-0.0163 0.0340 ( 2692 PWs) bands (ev): -26.5822 -26.5822 -26.1787 -26.1787 -21.2725 -21.2724 -10.1925 -10.1890 -9.9453 -9.9429 -9.9040 -9.9000 -7.0558 -7.0546 -6.8524 -6.8501 -6.1412 -6.1396 -5.1625 -5.1618 -0.9259 -0.9253 0.3209 0.3217 3.1145 3.1148 6.6694 6.6716 7.3870 7.3897 10.0944 10.0951 10.1656 10.1663 k = 0.0312-0.0122 0.0255 ( 2694 PWs) bands (ev): -26.5829 -26.5829 -26.1781 -26.1781 -21.2724 -21.2724 -10.1914 -10.1888 -9.9442 -9.9424 -9.9030 -9.9000 -7.0581 -7.0572 -6.8514 -6.8496 -6.1421 -6.1409 -5.1604 -5.1599 -0.9278 -0.9274 0.3241 0.3247 3.1082 3.1084 6.6701 6.6718 7.3798 7.3819 10.0858 10.0863 10.1708 10.1713 k = 0.0208-0.0081 0.0170 ( 2695 PWs) bands (ev): -26.5834 -26.5834 -26.1776 -26.1776 -21.2723 -21.2723 -10.1905 -10.1888 -9.9433 -9.9421 -9.9022 -9.9001 -7.0597 -7.0591 -6.8505 -6.8493 -6.1427 -6.1419 -5.1589 -5.1586 -0.9292 -0.9289 0.3265 0.3269 3.1037 3.1039 6.6708 6.6719 7.3747 7.3761 10.0793 10.0796 10.1748 10.1751 k = 0.0104-0.0041 0.0085 ( 2697 PWs) bands (ev): -26.5837 -26.5837 -26.1773 -26.1773 -21.2723 -21.2723 -10.1898 -10.1889 -9.9426 -9.9420 -9.9014 -9.9004 -7.0606 -7.0603 -6.8499 -6.8493 -6.1430 -6.1426 -5.1580 -5.1578 -0.9300 -0.9299 0.3279 0.3281 3.1010 3.1011 6.6713 6.6719 7.3718 7.3725 10.0754 10.0755 10.1773 10.1774 k = 0.0000 0.0000 0.0000 ( 2695 PWs) bands (ev): -26.5838 -26.5838 -26.1772 -26.1772 -21.2723 -21.2723 -10.1892 -10.1892 -9.9422 -9.9422 -9.9008 -9.9008 -7.0609 -7.0609 -6.8495 -6.8495 -6.1430 -6.1430 -5.1576 -5.1576 -0.9302 -0.9302 0.3285 0.3285 3.1001 3.1001 6.6716 6.6716 7.3710 7.3710 10.0741 10.0741 10.1782 10.1782 Writing output data file KNO2.save init_run : 3.80s CPU 12.58s WALL ( 1 calls) electrons : 312.70s CPU 317.99s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.21s CPU 2.06s WALL ( 1 calls) Called by electrons: c_bands : 312.65s CPU 317.56s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.99s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.57s WALL ( 1 calls) newd : 0.27s CPU 0.44s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 352 calls) cegterg : 288.97s CPU 291.07s WALL ( 892 calls) Called by sum_band: Called by *egterg: h_psi : 122.39s CPU 129.82s WALL ( 16230 calls) s_psi : 8.54s CPU 9.33s WALL ( 16230 calls) g_psi : 0.24s CPU 0.35s WALL ( 14986 calls) cdiaghg : 115.63s CPU 111.88s WALL ( 15338 calls) cegterg:over : 22.89s CPU 20.16s WALL ( 14986 calls) cegterg:upda : 2.15s CPU 5.02s WALL ( 14986 calls) cegterg:last : 2.82s CPU 3.61s WALL ( 2300 calls) Called by h_psi: h_psi:vloc : 102.26s CPU 109.37s WALL ( 16230 calls) h_psi:vnl : 20.01s CPU 20.02s WALL ( 16230 calls) add_vuspsi : 3.99s CPU 7.18s WALL ( 16230 calls) General routines calbec : 15.98s CPU 12.75s WALL ( 16230 calls) fft : 0.26s CPU 1.17s WALL ( 19 calls) ffts : 0.00s CPU 0.47s WALL ( 4 calls) fftw : 96.22s CPU 101.33s WALL ( 898632 calls) interpolate : 0.01s CPU 0.49s WALL ( 4 calls) davcio : 0.02s CPU 1.30s WALL ( 704 calls) Parallel routines fft_scatter : 65.06s CPU 68.45s WALL ( 898655 calls) PWSCF : 5m50.99s CPU 7m15.20s WALL This run was terminated on: 19:59:38 8Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=