Program PWSCF v.5.1.1 starts on 12Oct2015 at 19: 4:25 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: ./KCN.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 69 37 10 1850 719 114 Max 70 38 11 1852 743 118 Sum 3341 1805 521 88837 35167 5575 bravais-lattice index = 14 lattice parameter (alat) = 15.3412 a.u. unit-cell volume = 889.6376 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.341155 celldm(2)= 1.000000 celldm(3)= 1.121309 celldm(4)= 0.877224 celldm(5)= 0.877224 celldm(6)= 0.839047 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.839047 0.544059 0.000000 ) a(3) = ( 0.983639 0.290997 0.452890 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.542198 -1.181000 ) b(2) = ( 0.000000 1.838035 -1.181000 ) b(3) = ( 0.000000 0.000000 2.208041 ) PseudoPot. # 1 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. # 2 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 K 9.00 39.09830 K( 1.00) C 4.00 12.01070 C( 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= 364 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0100000 0.0029584 -0.0236200), wk = 0.0027473 k( 3) = ( 0.0200000 0.0059168 -0.0472400), wk = 0.0027473 k( 4) = ( 0.0300000 0.0088751 -0.0708600), wk = 0.0027473 k( 5) = ( 0.0400000 0.0118335 -0.0944800), wk = 0.0027473 k( 6) = ( 0.0500000 0.0147919 -0.1181000), wk = 0.0027473 k( 7) = ( 0.0600000 0.0177503 -0.1417200), wk = 0.0027473 k( 8) = ( 0.0700000 0.0207086 -0.1653400), wk = 0.0027473 k( 9) = ( 0.0800000 0.0236670 -0.1889600), wk = 0.0027473 k( 10) = ( 0.0900000 0.0266254 -0.2125800), wk = 0.0027473 k( 11) = ( 0.1000000 0.0295838 -0.2362000), wk = 0.0027473 k( 12) = ( 0.1100000 0.0325421 -0.2598200), wk = 0.0027473 k( 13) = ( 0.1200000 0.0355005 -0.2834400), wk = 0.0027473 k( 14) = ( 0.1300000 0.0384589 -0.3070600), wk = 0.0027473 k( 15) = ( 0.1400000 0.0414173 -0.3306800), wk = 0.0027473 k( 16) = ( 0.1500000 0.0443756 -0.3543001), wk = 0.0027473 k( 17) = ( 0.1600000 0.0473340 -0.3779201), wk = 0.0027473 k( 18) = ( 0.1700000 0.0502924 -0.4015401), wk = 0.0027473 k( 19) = ( 0.1800000 0.0532508 -0.4251601), wk = 0.0027473 k( 20) = ( 0.1900000 0.0562091 -0.4487801), wk = 0.0027473 k( 21) = ( 0.2000000 0.0591675 -0.4724001), wk = 0.0027473 k( 22) = ( 0.2100000 0.0621259 -0.4960201), wk = 0.0027473 k( 23) = ( 0.2200000 0.0650843 -0.5196401), wk = 0.0027473 k( 24) = ( 0.2300000 0.0680426 -0.5432601), wk = 0.0027473 k( 25) = ( 0.2400000 0.0710010 -0.5668801), wk = 0.0027473 k( 26) = ( 0.2500000 0.0739594 -0.5905001), wk = 0.0027473 k( 27) = ( 0.2600000 0.0769178 -0.6141201), wk = 0.0027473 k( 28) = ( 0.2700000 0.0798761 -0.6377401), wk = 0.0027473 k( 29) = ( 0.2800000 0.0828345 -0.6613601), wk = 0.0027473 k( 30) = ( 0.2900000 0.0857929 -0.6849801), wk = 0.0027473 k( 31) = ( 0.3000000 0.0887513 -0.7086001), wk = 0.0027473 k( 32) = ( 0.3100000 0.0917096 -0.7322201), wk = 0.0027473 k( 33) = ( 0.3200000 0.0946680 -0.7558401), wk = 0.0027473 k( 34) = ( 0.3300000 0.0976264 -0.7794601), wk = 0.0027473 k( 35) = ( 0.3400000 0.1005848 -0.8030801), wk = 0.0027473 k( 36) = ( 0.3500000 0.1035431 -0.8267001), wk = 0.0027473 k( 37) = ( 0.3600000 0.1065015 -0.8503201), wk = 0.0027473 k( 38) = ( 0.3700000 0.1094599 -0.8739401), wk = 0.0027473 k( 39) = ( 0.3800000 0.1124183 -0.8975601), wk = 0.0027473 k( 40) = ( 0.3900000 0.1153766 -0.9211801), wk = 0.0027473 k( 41) = ( 0.4000000 0.1183350 -0.9448001), wk = 0.0027473 k( 42) = ( 0.4100000 0.1212934 -0.9684201), wk = 0.0027473 k( 43) = ( 0.4200000 0.1242518 -0.9920401), wk = 0.0027473 k( 44) = ( 0.4300000 0.1272102 -1.0156602), wk = 0.0027473 k( 45) = ( 0.4400000 0.1301685 -1.0392802), wk = 0.0027473 k( 46) = ( 0.4500000 0.1331269 -1.0629002), wk = 0.0027473 k( 47) = ( 0.4600000 0.1360853 -1.0865202), wk = 0.0027473 k( 48) = ( 0.4700000 0.1390437 -1.1101402), wk = 0.0027473 k( 49) = ( 0.4800000 0.1420020 -1.1337602), wk = 0.0027473 k( 50) = ( 0.4900000 0.1449604 -1.1573802), wk = 0.0027473 k( 51) = ( 0.5000000 0.1479188 -1.1810002), wk = 0.0027473 k( 52) = ( 0.5000000 0.1479188 -1.1810002), wk = 0.0027473 k( 53) = ( 0.4791009 0.1417360 -1.1906226), wk = 0.0027473 k( 54) = ( 0.4582017 0.1355533 -1.2002451), wk = 0.0027473 k( 55) = ( 0.4373026 0.1293705 -1.2098675), wk = 0.0027473 k( 56) = ( 0.4164034 0.1231878 -1.2194900), wk = 0.0027473 k( 57) = ( 0.3955043 0.1170050 -1.2291124), wk = 0.0027473 k( 58) = ( 0.3746051 0.1108223 -1.2387349), wk = 0.0027473 k( 59) = ( 0.3537060 0.1046395 -1.2483573), wk = 0.0027473 k( 60) = ( 0.3328068 0.0984568 -1.2579798), wk = 0.0027473 k( 61) = ( 0.3328068 0.0984568 -1.2579798), wk = 0.0027473 k( 62) = ( 0.3363641 0.0995091 -1.2328521), wk = 0.0027473 k( 63) = ( 0.3399215 0.1005615 -1.2077245), wk = 0.0027473 k( 64) = ( 0.3434787 0.1016139 -1.1825968), wk = 0.0027473 k( 65) = ( 0.3470360 0.1026663 -1.1574691), wk = 0.0027473 k( 66) = ( 0.3505934 0.1037187 -1.1323415), wk = 0.0027473 k( 67) = ( 0.3541507 0.1047711 -1.1072138), wk = 0.0027473 k( 68) = ( 0.3577080 0.1058235 -1.0820862), wk = 0.0027473 k( 69) = ( 0.3612653 0.1068758 -1.0569585), wk = 0.0027473 k( 70) = ( 0.3648226 0.1079282 -1.0318308), wk = 0.0027473 k( 71) = ( 0.3683799 0.1089806 -1.0067032), wk = 0.0027473 k( 72) = ( 0.3719372 0.1100330 -0.9815755), wk = 0.0027473 k( 73) = ( 0.3754945 0.1110854 -0.9564478), wk = 0.0027473 k( 74) = ( 0.3790518 0.1121377 -0.9313202), wk = 0.0027473 k( 75) = ( 0.3826091 0.1131901 -0.9061925), wk = 0.0027473 k( 76) = ( 0.3861664 0.1142425 -0.8810649), wk = 0.0027473 k( 77) = ( 0.3897237 0.1152949 -0.8559372), wk = 0.0027473 k( 78) = ( 0.3932810 0.1163473 -0.8308095), wk = 0.0027473 k( 79) = ( 0.3968383 0.1173997 -0.8056819), wk = 0.0027473 k( 80) = ( 0.4003956 0.1184520 -0.7805542), wk = 0.0027473 k( 81) = ( 0.4039529 0.1195044 -0.7554265), wk = 0.0027473 k( 82) = ( 0.4075102 0.1205568 -0.7302989), wk = 0.0027473 k( 83) = ( 0.4110675 0.1216092 -0.7051712), wk = 0.0027473 k( 84) = ( 0.4146248 0.1226616 -0.6800435), wk = 0.0027473 k( 85) = ( 0.4181821 0.1237140 -0.6549159), wk = 0.0027473 k( 86) = ( 0.4217394 0.1247663 -0.6297882), wk = 0.0027473 k( 87) = ( 0.4252967 0.1258187 -0.6046606), wk = 0.0027473 k( 88) = ( 0.4288540 0.1268711 -0.5795329), wk = 0.0027473 k( 89) = ( 0.4324113 0.1279235 -0.5544052), wk = 0.0027473 k( 90) = ( 0.4359686 0.1289759 -0.5292776), wk = 0.0027473 k( 91) = ( 0.4395259 0.1300283 -0.5041499), wk = 0.0027473 k( 92) = ( 0.4430832 0.1310806 -0.4790222), wk = 0.0027473 k( 93) = ( 0.4466405 0.1321330 -0.4538946), wk = 0.0027473 k( 94) = ( 0.4501978 0.1331854 -0.4287669), wk = 0.0027473 k( 95) = ( 0.4537551 0.1342378 -0.4036392), wk = 0.0027473 k( 96) = ( 0.4573124 0.1352902 -0.3785116), wk = 0.0027473 k( 97) = ( 0.4608697 0.1363426 -0.3533839), wk = 0.0027473 k( 98) = ( 0.4644270 0.1373949 -0.3282562), wk = 0.0027473 k( 99) = ( 0.4679843 0.1384473 -0.3031286), wk = 0.0027473 k( 100) = ( 0.4715416 0.1394997 -0.2780009), wk = 0.0027473 k( 101) = ( 0.4750989 0.1405521 -0.2528733), wk = 0.0027473 k( 102) = ( 0.4786562 0.1416045 -0.2277456), wk = 0.0027473 k( 103) = ( 0.4822135 0.1426569 -0.2026179), wk = 0.0027473 k( 104) = ( 0.4857708 0.1437092 -0.1774903), wk = 0.0027473 k( 105) = ( 0.4893281 0.1447616 -0.1523626), wk = 0.0027473 k( 106) = ( 0.4928854 0.1458140 -0.1272349), wk = 0.0027473 k( 107) = ( 0.4964427 0.1468664 -0.1021073), wk = 0.0027473 k( 108) = ( 0.5000000 0.1479188 -0.0769796), wk = 0.0027473 k( 109) = ( 0.5000000 0.1479188 -0.0769796), wk = 0.0027473 k( 110) = ( 0.5072385 0.1234509 -0.0769796), wk = 0.0027473 k( 111) = ( 0.5144770 0.0989831 -0.0769796), wk = 0.0027473 k( 112) = ( 0.5217155 0.0745152 -0.0769796), wk = 0.0027473 k( 113) = ( 0.5289540 0.0500474 -0.0769796), wk = 0.0027473 k( 114) = ( 0.5361925 0.0255795 -0.0769796), wk = 0.0027473 k( 115) = ( 0.5434311 0.0011117 -0.0769796), wk = 0.0027473 k( 116) = ( 0.5506696 -0.0233562 -0.0769796), wk = 0.0027473 k( 117) = ( 0.5579081 -0.0478240 -0.0769796), wk = 0.0027473 k( 118) = ( 0.5651466 -0.0722919 -0.0769796), wk = 0.0027473 k( 119) = ( 0.5723851 -0.0967597 -0.0769796), wk = 0.0027473 k( 120) = ( 0.5796236 -0.1212276 -0.0769796), wk = 0.0027473 k( 121) = ( 0.5868621 -0.1456954 -0.0769796), wk = 0.0027473 k( 122) = ( 0.5941006 -0.1701633 -0.0769796), wk = 0.0027473 k( 123) = ( 0.6013391 -0.1946311 -0.0769796), wk = 0.0027473 k( 124) = ( 0.6085776 -0.2190990 -0.0769796), wk = 0.0027473 k( 125) = ( 0.6158162 -0.2435668 -0.0769796), wk = 0.0027473 k( 126) = ( 0.6230547 -0.2680347 -0.0769796), wk = 0.0027473 k( 127) = ( 0.6302932 -0.2925025 -0.0769796), wk = 0.0027473 k( 128) = ( 0.6375317 -0.3169704 -0.0769796), wk = 0.0027473 k( 129) = ( 0.6447702 -0.3414382 -0.0769796), wk = 0.0027473 k( 130) = ( 0.6520087 -0.3659061 -0.0769796), wk = 0.0027473 k( 131) = ( 0.6592472 -0.3903740 -0.0769796), wk = 0.0027473 k( 132) = ( 0.6664857 -0.4148418 -0.0769796), wk = 0.0027473 k( 133) = ( 0.6737242 -0.4393096 -0.0769796), wk = 0.0027473 k( 134) = ( 0.6809627 -0.4637775 -0.0769796), wk = 0.0027473 k( 135) = ( 0.6882012 -0.4882453 -0.0769796), wk = 0.0027473 k( 136) = ( 0.6954398 -0.5127132 -0.0769796), wk = 0.0027473 k( 137) = ( 0.7026783 -0.5371810 -0.0769796), wk = 0.0027473 k( 138) = ( 0.7099168 -0.5616489 -0.0769796), wk = 0.0027473 k( 139) = ( 0.7171553 -0.5861167 -0.0769796), wk = 0.0027473 k( 140) = ( 0.7243938 -0.6105846 -0.0769796), wk = 0.0027473 k( 141) = ( 0.7316323 -0.6350525 -0.0769796), wk = 0.0027473 k( 142) = ( 0.7388708 -0.6595203 -0.0769796), wk = 0.0027473 k( 143) = ( 0.7461093 -0.6839882 -0.0769796), wk = 0.0027473 k( 144) = ( 0.7533478 -0.7084560 -0.0769796), wk = 0.0027473 k( 145) = ( 0.7605863 -0.7329239 -0.0769796), wk = 0.0027473 k( 146) = ( 0.7678249 -0.7573917 -0.0769796), wk = 0.0027473 k( 147) = ( 0.7750634 -0.7818595 -0.0769796), wk = 0.0027473 k( 148) = ( 0.7823019 -0.8063274 -0.0769796), wk = 0.0027473 k( 149) = ( 0.7895404 -0.8307952 -0.0769796), wk = 0.0027473 k( 150) = ( 0.7967789 -0.8552631 -0.0769796), wk = 0.0027473 k( 151) = ( 0.8040174 -0.8797310 -0.0769796), wk = 0.0027473 k( 152) = ( 0.8112559 -0.9041988 -0.0769796), wk = 0.0027473 k( 153) = ( 0.8184944 -0.9286667 -0.0769796), wk = 0.0027473 k( 154) = ( 0.8257329 -0.9531345 -0.0769796), wk = 0.0027473 k( 155) = ( 0.1742671 -0.5890634 1.1040206), wk = 0.0027473 k( 156) = ( 0.1670059 -0.5645191 1.1040206), wk = 0.0027473 k( 157) = ( 0.1597448 -0.5399748 1.1040206), wk = 0.0027473 k( 158) = ( 0.1524837 -0.5154305 1.1040206), wk = 0.0027473 k( 159) = ( 0.1452226 -0.4908862 1.1040206), wk = 0.0027473 k( 160) = ( 0.1379614 -0.4663419 1.1040206), wk = 0.0027473 k( 161) = ( 0.1307003 -0.4417976 1.1040206), wk = 0.0027473 k( 162) = ( 0.1234392 -0.4172532 1.1040206), wk = 0.0027473 k( 163) = ( 0.1161781 -0.3927089 1.1040206), wk = 0.0027473 k( 164) = ( 0.1089169 -0.3681646 1.1040206), wk = 0.0027473 k( 165) = ( 0.1016558 -0.3436203 1.1040206), wk = 0.0027473 k( 166) = ( 0.0943947 -0.3190760 1.1040206), wk = 0.0027473 k( 167) = ( 0.0871335 -0.2945317 1.1040206), wk = 0.0027473 k( 168) = ( 0.0798724 -0.2699874 1.1040206), wk = 0.0027473 k( 169) = ( 0.0726113 -0.2454431 1.1040206), wk = 0.0027473 k( 170) = ( 0.0653501 -0.2208988 1.1040206), wk = 0.0027473 k( 171) = ( 0.0580890 -0.1963545 1.1040206), wk = 0.0027473 k( 172) = ( 0.0508279 -0.1718102 1.1040206), wk = 0.0027473 k( 173) = ( 0.0435668 -0.1472659 1.1040206), wk = 0.0027473 k( 174) = ( 0.0363056 -0.1227215 1.1040206), wk = 0.0027473 k( 175) = ( 0.0290445 -0.0981772 1.1040206), wk = 0.0027473 k( 176) = ( 0.0217834 -0.0736329 1.1040206), wk = 0.0027473 k( 177) = ( 0.0145223 -0.0490886 1.1040206), wk = 0.0027473 k( 178) = ( 0.0072611 -0.0245443 1.1040206), wk = 0.0027473 k( 179) = ( 0.0000000 0.0000000 1.1040206), wk = 0.0027473 k( 180) = ( 0.0000000 0.0000000 1.1040206), wk = 0.0027473 k( 181) = ( 0.0247109 0.0073104 1.1040206), wk = 0.0027473 k( 182) = ( 0.0494217 0.0146208 1.1040206), wk = 0.0027473 k( 183) = ( 0.0741326 0.0219312 1.1040206), wk = 0.0027473 k( 184) = ( 0.0988434 0.0292416 1.1040206), wk = 0.0027473 k( 185) = ( 0.1235543 0.0365520 1.1040206), wk = 0.0027473 k( 186) = ( 0.1482651 0.0438624 1.1040206), wk = 0.0027473 k( 187) = ( 0.1729760 0.0511728 1.1040206), wk = 0.0027473 k( 188) = ( 0.1976869 0.0584832 1.1040206), wk = 0.0027473 k( 189) = ( 0.2223977 0.0657936 1.1040206), wk = 0.0027473 k( 190) = ( 0.2471086 0.0731040 1.1040206), wk = 0.0027473 k( 191) = ( 0.2718194 0.0804144 1.1040206), wk = 0.0027473 k( 192) = ( 0.2965303 0.0877248 1.1040206), wk = 0.0027473 k( 193) = ( 0.3212411 0.0950352 1.1040205), wk = 0.0027473 k( 194) = ( 0.3459520 0.1023456 1.1040206), wk = 0.0027473 k( 195) = ( 0.3706629 0.1096560 1.1040206), wk = 0.0027473 k( 196) = ( 0.3953737 0.1169664 1.1040206), wk = 0.0027473 k( 197) = ( 0.4200846 0.1242768 1.1040206), wk = 0.0027473 k( 198) = ( 0.4447954 0.1315872 1.1040206), wk = 0.0027473 k( 199) = ( 0.4695063 0.1388976 1.1040206), wk = 0.0027473 k( 200) = ( 0.4942171 0.1462080 1.1040205), wk = 0.0027473 k( 201) = ( 0.5189280 0.1535184 1.1040206), wk = 0.0027473 k( 202) = ( 0.5436389 0.1608288 1.1040206), wk = 0.0027473 k( 203) = ( 0.5683497 0.1681392 1.1040206), wk = 0.0027473 k( 204) = ( 0.5930606 0.1754496 1.1040206), wk = 0.0027473 k( 205) = ( 0.6177714 0.1827600 1.1040206), wk = 0.0027473 k( 206) = ( 0.6424823 0.1900704 1.1040206), wk = 0.0027473 k( 207) = ( 0.6671932 0.1973808 1.1040206), wk = 0.0027473 k( 208) = ( 0.5000000 0.1479188 -1.1810002), wk = 0.0027473 k( 209) = ( 0.5072421 0.1234386 -1.1810002), wk = 0.0027473 k( 210) = ( 0.5144843 0.0989585 -1.1810002), wk = 0.0027473 k( 211) = ( 0.5217265 0.0744783 -1.1810002), wk = 0.0027473 k( 212) = ( 0.5289686 0.0499981 -1.1810002), wk = 0.0027473 k( 213) = ( 0.5362108 0.0255180 -1.1810002), wk = 0.0027473 k( 214) = ( 0.5434529 0.0010378 -1.1810002), wk = 0.0027473 k( 215) = ( 0.5506951 -0.0234424 -1.1810002), wk = 0.0027473 k( 216) = ( 0.5579372 -0.0479225 -1.1810002), wk = 0.0027473 k( 217) = ( 0.5651794 -0.0724027 -1.1810002), wk = 0.0027473 k( 218) = ( 0.5724215 -0.0968829 -1.1810002), wk = 0.0027473 k( 219) = ( 0.5796637 -0.1213630 -1.1810002), wk = 0.0027473 k( 220) = ( 0.5869058 -0.1458432 -1.1810002), wk = 0.0027473 k( 221) = ( 0.5941480 -0.1703233 -1.1810002), wk = 0.0027473 k( 222) = ( 0.6013901 -0.1948035 -1.1810002), wk = 0.0027473 k( 223) = ( 0.6086323 -0.2192837 -1.1810002), wk = 0.0027473 k( 224) = ( 0.6158744 -0.2437638 -1.1810002), wk = 0.0027473 k( 225) = ( 0.3841256 -1.2984341 0.0000000), wk = 0.0027473 k( 226) = ( 0.3768779 -1.2739353 0.0000000), wk = 0.0027473 k( 227) = ( 0.3696303 -1.2494366 0.0000000), wk = 0.0027473 k( 228) = ( 0.3623826 -1.2249378 0.0000000), wk = 0.0027473 k( 229) = ( 0.3551350 -1.2004390 0.0000000), wk = 0.0027473 k( 230) = ( 0.3478873 -1.1759403 0.0000000), wk = 0.0027473 k( 231) = ( 0.3406397 -1.1514416 0.0000000), wk = 0.0027473 k( 232) = ( 0.3333920 -1.1269428 0.0000000), wk = 0.0027473 k( 233) = ( 0.3261444 -1.1024440 0.0000000), wk = 0.0027473 k( 234) = ( 0.3188967 -1.0779453 0.0000000), wk = 0.0027473 k( 235) = ( 0.3116490 -1.0534465 0.0000000), wk = 0.0027473 k( 236) = ( 0.3044014 -1.0289478 0.0000000), wk = 0.0027473 k( 237) = ( 0.2971537 -1.0044490 0.0000000), wk = 0.0027473 k( 238) = ( 0.2899061 -0.9799502 0.0000000), wk = 0.0027473 k( 239) = ( 0.2826584 -0.9554515 0.0000000), wk = 0.0027473 k( 240) = ( 0.2754108 -0.9309527 0.0000000), wk = 0.0027473 k( 241) = ( 0.2681631 -0.9064540 0.0000000), wk = 0.0027473 k( 242) = ( 0.2609155 -0.8819552 0.0000000), wk = 0.0027473 k( 243) = ( 0.2536678 -0.8574565 0.0000000), wk = 0.0027473 k( 244) = ( 0.2464202 -0.8329577 0.0000000), wk = 0.0027473 k( 245) = ( 0.2391725 -0.8084590 0.0000000), wk = 0.0027473 k( 246) = ( 0.2319249 -0.7839602 0.0000000), wk = 0.0027473 k( 247) = ( 0.2246772 -0.7594614 0.0000000), wk = 0.0027473 k( 248) = ( 0.2174296 -0.7349627 0.0000000), wk = 0.0027473 k( 249) = ( 0.2101819 -0.7104639 0.0000000), wk = 0.0027473 k( 250) = ( 0.2029343 -0.6859652 0.0000000), wk = 0.0027473 k( 251) = ( 0.1956866 -0.6614664 0.0000000), wk = 0.0027473 k( 252) = ( 0.1884390 -0.6369677 0.0000000), wk = 0.0027473 k( 253) = ( 0.1811913 -0.6124689 0.0000000), wk = 0.0027473 k( 254) = ( 0.1739437 -0.5879702 0.0000000), wk = 0.0027473 k( 255) = ( 0.1666960 -0.5634714 0.0000000), wk = 0.0027473 k( 256) = ( 0.1594483 -0.5389726 0.0000000), wk = 0.0027473 k( 257) = ( 0.1522007 -0.5144739 0.0000000), wk = 0.0027473 k( 258) = ( 0.1449530 -0.4899751 0.0000000), wk = 0.0027473 k( 259) = ( 0.1377054 -0.4654764 0.0000000), wk = 0.0027473 k( 260) = ( 0.1304577 -0.4409776 0.0000000), wk = 0.0027473 k( 261) = ( 0.1232101 -0.4164789 0.0000000), wk = 0.0027473 k( 262) = ( 0.1159624 -0.3919801 0.0000000), wk = 0.0027473 k( 263) = ( 0.1087148 -0.3674813 0.0000000), wk = 0.0027473 k( 264) = ( 0.1014671 -0.3429826 0.0000000), wk = 0.0027473 k( 265) = ( 0.0942195 -0.3184838 0.0000000), wk = 0.0027473 k( 266) = ( 0.0869718 -0.2939851 0.0000000), wk = 0.0027473 k( 267) = ( 0.0797242 -0.2694863 0.0000000), wk = 0.0027473 k( 268) = ( 0.0724765 -0.2449876 0.0000000), wk = 0.0027473 k( 269) = ( 0.0652289 -0.2204888 0.0000000), wk = 0.0027473 k( 270) = ( 0.0579812 -0.1959901 0.0000000), wk = 0.0027473 k( 271) = ( 0.0507336 -0.1714913 0.0000000), wk = 0.0027473 k( 272) = ( 0.0434859 -0.1469925 0.0000000), wk = 0.0027473 k( 273) = ( 0.0362383 -0.1224938 0.0000000), wk = 0.0027473 k( 274) = ( 0.0289906 -0.0979950 0.0000000), wk = 0.0027473 k( 275) = ( 0.0217430 -0.0734963 0.0000000), wk = 0.0027473 k( 276) = ( 0.0144953 -0.0489975 0.0000000), wk = 0.0027473 k( 277) = ( 0.0072476 -0.0244987 0.0000000), wk = 0.0027473 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 279) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 280) = ( 0.0116279 -0.0179325 -0.0137326), wk = 0.0027473 k( 281) = ( 0.0232558 -0.0358651 -0.0274651), wk = 0.0027473 k( 282) = ( 0.0348837 -0.0537976 -0.0411977), wk = 0.0027473 k( 283) = ( 0.0465116 -0.0717301 -0.0549302), wk = 0.0027473 k( 284) = ( 0.0581395 -0.0896627 -0.0686628), wk = 0.0027473 k( 285) = ( 0.0697674 -0.1075952 -0.0823954), wk = 0.0027473 k( 286) = ( 0.0813954 -0.1255277 -0.0961279), wk = 0.0027473 k( 287) = ( 0.0930233 -0.1434603 -0.1098605), wk = 0.0027473 k( 288) = ( 0.1046512 -0.1613928 -0.1235930), wk = 0.0027473 k( 289) = ( 0.1162791 -0.1793253 -0.1373256), wk = 0.0027473 k( 290) = ( 0.1279070 -0.1972579 -0.1510582), wk = 0.0027473 k( 291) = ( 0.1395349 -0.2151904 -0.1647907), wk = 0.0027473 k( 292) = ( 0.1511628 -0.2331229 -0.1785233), wk = 0.0027473 k( 293) = ( 0.1627907 -0.2510555 -0.1922558), wk = 0.0027473 k( 294) = ( 0.1744186 -0.2689880 -0.2059884), wk = 0.0027473 k( 295) = ( 0.1860465 -0.2869205 -0.2197210), wk = 0.0027473 k( 296) = ( 0.1976744 -0.3048531 -0.2334535), wk = 0.0027473 k( 297) = ( 0.2093023 -0.3227856 -0.2471861), wk = 0.0027473 k( 298) = ( 0.2209302 -0.3407181 -0.2609186), wk = 0.0027473 k( 299) = ( 0.2325581 -0.3586507 -0.2746512), wk = 0.0027473 k( 300) = ( 0.2441860 -0.3765832 -0.2883838), wk = 0.0027473 k( 301) = ( 0.2558140 -0.3945157 -0.3021163), wk = 0.0027473 k( 302) = ( 0.2674419 -0.4124483 -0.3158489), wk = 0.0027473 k( 303) = ( 0.2790698 -0.4303808 -0.3295814), wk = 0.0027473 k( 304) = ( 0.2906977 -0.4483133 -0.3433140), wk = 0.0027473 k( 305) = ( 0.3023256 -0.4662459 -0.3570466), wk = 0.0027473 k( 306) = ( 0.3139535 -0.4841784 -0.3707791), wk = 0.0027473 k( 307) = ( 0.3255814 -0.5021110 -0.3845117), wk = 0.0027473 k( 308) = ( 0.3372093 -0.5200435 -0.3982442), wk = 0.0027473 k( 309) = ( 0.3488372 -0.5379760 -0.4119768), wk = 0.0027473 k( 310) = ( 0.3604651 -0.5559086 -0.4257094), wk = 0.0027473 k( 311) = ( 0.3720930 -0.5738411 -0.4394419), wk = 0.0027473 k( 312) = ( 0.3837209 -0.5917736 -0.4531745), wk = 0.0027473 k( 313) = ( 0.3953488 -0.6097062 -0.4669070), wk = 0.0027473 k( 314) = ( 0.4069767 -0.6276387 -0.4806396), wk = 0.0027473 k( 315) = ( 0.4186047 -0.6455712 -0.4943722), wk = 0.0027473 k( 316) = ( 0.4302326 -0.6635038 -0.5081047), wk = 0.0027473 k( 317) = ( 0.4418605 -0.6814363 -0.5218373), wk = 0.0027473 k( 318) = ( 0.4534884 -0.6993688 -0.5355698), wk = 0.0027473 k( 319) = ( 0.4651163 -0.7173014 -0.5493024), wk = 0.0027473 k( 320) = ( 0.4767442 -0.7352339 -0.5630350), wk = 0.0027473 k( 321) = ( 0.4883721 -0.7531664 -0.5767675), wk = 0.0027473 k( 322) = ( 0.5000000 -0.7710990 -0.5905001), wk = 0.0027473 k( 323) = ( 0.5000000 -0.7710990 0.5135205), wk = 0.0027473 k( 324) = ( 0.4878049 -0.7522917 0.5009956), wk = 0.0027473 k( 325) = ( 0.4756098 -0.7334844 0.4884707), wk = 0.0027473 k( 326) = ( 0.4634146 -0.7146771 0.4759458), wk = 0.0027473 k( 327) = ( 0.4512195 -0.6958698 0.4634209), wk = 0.0027473 k( 328) = ( 0.4390244 -0.6770625 0.4508960), wk = 0.0027473 k( 329) = ( 0.4268293 -0.6582552 0.4383711), wk = 0.0027473 k( 330) = ( 0.4146341 -0.6394479 0.4258463), wk = 0.0027473 k( 331) = ( 0.4024390 -0.6206406 0.4133214), wk = 0.0027473 k( 332) = ( 0.3902439 -0.6018333 0.4007965), wk = 0.0027473 k( 333) = ( 0.3780488 -0.5830260 0.3882716), wk = 0.0027473 k( 334) = ( 0.3658537 -0.5642188 0.3757467), wk = 0.0027473 k( 335) = ( 0.3536585 -0.5454115 0.3632218), wk = 0.0027473 k( 336) = ( 0.3414634 -0.5266042 0.3506969), wk = 0.0027473 k( 337) = ( 0.3292683 -0.5077969 0.3381720), wk = 0.0027473 k( 338) = ( 0.3170732 -0.4889896 0.3256471), wk = 0.0027473 k( 339) = ( 0.3048781 -0.4701823 0.3131222), wk = 0.0027473 k( 340) = ( 0.2926829 -0.4513750 0.3005974), wk = 0.0027473 k( 341) = ( 0.2804878 -0.4325677 0.2880725), wk = 0.0027473 k( 342) = ( 0.2682927 -0.4137604 0.2755476), wk = 0.0027473 k( 343) = ( 0.2560976 -0.3949531 0.2630227), wk = 0.0027473 k( 344) = ( 0.2439024 -0.3761458 0.2504978), wk = 0.0027473 k( 345) = ( 0.2317073 -0.3573385 0.2379729), wk = 0.0027473 k( 346) = ( 0.2195122 -0.3385313 0.2254480), wk = 0.0027473 k( 347) = ( 0.2073171 -0.3197240 0.2129231), wk = 0.0027473 k( 348) = ( 0.1951219 -0.3009167 0.2003982), wk = 0.0027473 k( 349) = ( 0.1829268 -0.2821094 0.1878733), wk = 0.0027473 k( 350) = ( 0.1707317 -0.2633021 0.1753485), wk = 0.0027473 k( 351) = ( 0.1585366 -0.2444948 0.1628236), wk = 0.0027473 k( 352) = ( 0.1463415 -0.2256875 0.1502987), wk = 0.0027473 k( 353) = ( 0.1341463 -0.2068802 0.1377738), wk = 0.0027473 k( 354) = ( 0.1219512 -0.1880729 0.1252489), wk = 0.0027473 k( 355) = ( 0.1097561 -0.1692656 0.1127240), wk = 0.0027473 k( 356) = ( 0.0975610 -0.1504583 0.1001991), wk = 0.0027473 k( 357) = ( 0.0853658 -0.1316510 0.0876742), wk = 0.0027473 k( 358) = ( 0.0731707 -0.1128437 0.0751493), wk = 0.0027473 k( 359) = ( 0.0609756 -0.0940365 0.0626244), wk = 0.0027473 k( 360) = ( 0.0487805 -0.0752292 0.0500996), wk = 0.0027473 k( 361) = ( 0.0365854 -0.0564219 0.0375747), wk = 0.0027473 k( 362) = ( 0.0243902 -0.0376146 0.0250498), wk = 0.0027473 k( 363) = ( 0.0121951 -0.0188073 0.0125249), wk = 0.0027473 k( 364) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0100000 0.0100000 0.0000000), wk = 0.0027473 k( 3) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0027473 k( 4) = ( 0.0300000 0.0300000 0.0000000), wk = 0.0027473 k( 5) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0027473 k( 6) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0027473 k( 7) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0027473 k( 8) = ( 0.0700000 0.0700000 0.0000000), wk = 0.0027473 k( 9) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0027473 k( 10) = ( 0.0900000 0.0900000 0.0000000), wk = 0.0027473 k( 11) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0027473 k( 12) = ( 0.1100000 0.1100000 0.0000000), wk = 0.0027473 k( 13) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0027473 k( 14) = ( 0.1300000 0.1300000 0.0000000), wk = 0.0027473 k( 15) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0027473 k( 16) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0027473 k( 17) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0027473 k( 18) = ( 0.1700000 0.1700000 0.0000000), wk = 0.0027473 k( 19) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0027473 k( 20) = ( 0.1900000 0.1900000 0.0000000), wk = 0.0027473 k( 21) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0027473 k( 22) = ( 0.2100000 0.2100000 0.0000000), wk = 0.0027473 k( 23) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0027473 k( 24) = ( 0.2300000 0.2300000 0.0000000), wk = 0.0027473 k( 25) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0027473 k( 26) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0027473 k( 27) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0027473 k( 28) = ( 0.2700000 0.2700000 0.0000000), wk = 0.0027473 k( 29) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0027473 k( 30) = ( 0.2900000 0.2900000 0.0000000), wk = 0.0027473 k( 31) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0027473 k( 32) = ( 0.3100000 0.3100000 0.0000000), wk = 0.0027473 k( 33) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0027473 k( 34) = ( 0.3300000 0.3300000 0.0000000), wk = 0.0027473 k( 35) = ( 0.3400000 0.3400000 0.0000000), wk = 0.0027473 k( 36) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0027473 k( 37) = ( 0.3600000 0.3600000 0.0000000), wk = 0.0027473 k( 38) = ( 0.3700000 0.3700000 0.0000000), wk = 0.0027473 k( 39) = ( 0.3800000 0.3800000 0.0000000), wk = 0.0027473 k( 40) = ( 0.3900000 0.3900000 0.0000000), wk = 0.0027473 k( 41) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0027473 k( 42) = ( 0.4100000 0.4100000 0.0000000), wk = 0.0027473 k( 43) = ( 0.4200000 0.4200000 0.0000000), wk = 0.0027473 k( 44) = ( 0.4300000 0.4300000 0.0000000), wk = 0.0027473 k( 45) = ( 0.4400000 0.4400000 0.0000000), wk = 0.0027473 k( 46) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0027473 k( 47) = ( 0.4600000 0.4600000 0.0000000), wk = 0.0027473 k( 48) = ( 0.4700000 0.4700000 0.0000000), wk = 0.0027473 k( 49) = ( 0.4800000 0.4800000 0.0000000), wk = 0.0027473 k( 50) = ( 0.4900000 0.4900000 0.0000000), wk = 0.0027473 k( 51) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027473 k( 52) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027473 k( 53) = ( 0.4791009 0.4791009 -0.0267143), wk = 0.0027473 k( 54) = ( 0.4582017 0.4582017 -0.0534286), wk = 0.0027473 k( 55) = ( 0.4373026 0.4373026 -0.0801428), wk = 0.0027473 k( 56) = ( 0.4164034 0.4164034 -0.1068571), wk = 0.0027473 k( 57) = ( 0.3955043 0.3955043 -0.1335714), wk = 0.0027473 k( 58) = ( 0.3746051 0.3746051 -0.1602857), wk = 0.0027473 k( 59) = ( 0.3537060 0.3537060 -0.1870000), wk = 0.0027473 k( 60) = ( 0.3328068 0.3328069 -0.2137143), wk = 0.0027473 k( 61) = ( 0.3328068 0.3328069 -0.2137143), wk = 0.0027473 k( 62) = ( 0.3363641 0.3363642 -0.1985289), wk = 0.0027473 k( 63) = ( 0.3399215 0.3399214 -0.1833434), wk = 0.0027473 k( 64) = ( 0.3434787 0.3434787 -0.1681580), wk = 0.0027473 k( 65) = ( 0.3470360 0.3470360 -0.1529726), wk = 0.0027473 k( 66) = ( 0.3505934 0.3505934 -0.1377872), wk = 0.0027473 k( 67) = ( 0.3541507 0.3541507 -0.1226018), wk = 0.0027473 k( 68) = ( 0.3577080 0.3577080 -0.1074164), wk = 0.0027473 k( 69) = ( 0.3612653 0.3612653 -0.0922310), wk = 0.0027473 k( 70) = ( 0.3648226 0.3648226 -0.0770456), wk = 0.0027473 k( 71) = ( 0.3683799 0.3683799 -0.0618602), wk = 0.0027473 k( 72) = ( 0.3719372 0.3719372 -0.0466748), wk = 0.0027473 k( 73) = ( 0.3754945 0.3754945 -0.0314893), wk = 0.0027473 k( 74) = ( 0.3790518 0.3790518 -0.0163039), wk = 0.0027473 k( 75) = ( 0.3826091 0.3826091 -0.0011185), wk = 0.0027473 k( 76) = ( 0.3861664 0.3861664 0.0140669), wk = 0.0027473 k( 77) = ( 0.3897237 0.3897237 0.0292523), wk = 0.0027473 k( 78) = ( 0.3932810 0.3932810 0.0444377), wk = 0.0027473 k( 79) = ( 0.3968383 0.3968383 0.0596231), wk = 0.0027473 k( 80) = ( 0.4003956 0.4003956 0.0748085), wk = 0.0027473 k( 81) = ( 0.4039529 0.4039529 0.0899939), wk = 0.0027473 k( 82) = ( 0.4075102 0.4075102 0.1051793), wk = 0.0027473 k( 83) = ( 0.4110675 0.4110675 0.1203648), wk = 0.0027473 k( 84) = ( 0.4146248 0.4146248 0.1355502), wk = 0.0027473 k( 85) = ( 0.4181821 0.4181821 0.1507356), wk = 0.0027473 k( 86) = ( 0.4217394 0.4217394 0.1659210), wk = 0.0027473 k( 87) = ( 0.4252967 0.4252967 0.1811064), wk = 0.0027473 k( 88) = ( 0.4288540 0.4288540 0.1962918), wk = 0.0027473 k( 89) = ( 0.4324113 0.4324113 0.2114772), wk = 0.0027473 k( 90) = ( 0.4359686 0.4359686 0.2266626), wk = 0.0027473 k( 91) = ( 0.4395259 0.4395259 0.2418480), wk = 0.0027473 k( 92) = ( 0.4430832 0.4430832 0.2570334), wk = 0.0027473 k( 93) = ( 0.4466405 0.4466405 0.2722188), wk = 0.0027473 k( 94) = ( 0.4501978 0.4501978 0.2874043), wk = 0.0027473 k( 95) = ( 0.4537551 0.4537551 0.3025897), wk = 0.0027473 k( 96) = ( 0.4573124 0.4573124 0.3177751), wk = 0.0027473 k( 97) = ( 0.4608697 0.4608697 0.3329605), wk = 0.0027473 k( 98) = ( 0.4644270 0.4644270 0.3481459), wk = 0.0027473 k( 99) = ( 0.4679843 0.4679843 0.3633313), wk = 0.0027473 k( 100) = ( 0.4715416 0.4715416 0.3785167), wk = 0.0027473 k( 101) = ( 0.4750989 0.4750989 0.3937021), wk = 0.0027473 k( 102) = ( 0.4786562 0.4786562 0.4088875), wk = 0.0027473 k( 103) = ( 0.4822135 0.4822135 0.4240730), wk = 0.0027473 k( 104) = ( 0.4857708 0.4857708 0.4392584), wk = 0.0027473 k( 105) = ( 0.4893281 0.4893281 0.4544438), wk = 0.0027473 k( 106) = ( 0.4928854 0.4928854 0.4696292), wk = 0.0027473 k( 107) = ( 0.4964427 0.4964427 0.4848146), wk = 0.0027473 k( 108) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027473 k( 109) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027473 k( 110) = ( 0.5072385 0.4927615 0.5000000), wk = 0.0027473 k( 111) = ( 0.5144770 0.4855230 0.5000000), wk = 0.0027473 k( 112) = ( 0.5217155 0.4782845 0.5000000), wk = 0.0027473 k( 113) = ( 0.5289540 0.4710460 0.5000000), wk = 0.0027473 k( 114) = ( 0.5361925 0.4638075 0.5000000), wk = 0.0027473 k( 115) = ( 0.5434311 0.4565689 0.5000000), wk = 0.0027473 k( 116) = ( 0.5506696 0.4493304 0.5000000), wk = 0.0027473 k( 117) = ( 0.5579081 0.4420919 0.5000000), wk = 0.0027473 k( 118) = ( 0.5651466 0.4348534 0.5000000), wk = 0.0027473 k( 119) = ( 0.5723851 0.4276149 0.5000000), wk = 0.0027473 k( 120) = ( 0.5796236 0.4203764 0.5000000), wk = 0.0027473 k( 121) = ( 0.5868621 0.4131379 0.5000000), wk = 0.0027473 k( 122) = ( 0.5941006 0.4058994 0.5000000), wk = 0.0027473 k( 123) = ( 0.6013391 0.3986609 0.5000000), wk = 0.0027473 k( 124) = ( 0.6085776 0.3914224 0.5000000), wk = 0.0027473 k( 125) = ( 0.6158162 0.3841838 0.5000000), wk = 0.0027473 k( 126) = ( 0.6230547 0.3769453 0.5000000), wk = 0.0027473 k( 127) = ( 0.6302932 0.3697068 0.5000000), wk = 0.0027473 k( 128) = ( 0.6375317 0.3624683 0.5000000), wk = 0.0027473 k( 129) = ( 0.6447702 0.3552298 0.5000000), wk = 0.0027473 k( 130) = ( 0.6520087 0.3479913 0.5000000), wk = 0.0027473 k( 131) = ( 0.6592472 0.3407528 0.5000000), wk = 0.0027473 k( 132) = ( 0.6664857 0.3335143 0.5000000), wk = 0.0027473 k( 133) = ( 0.6737242 0.3262758 0.5000000), wk = 0.0027473 k( 134) = ( 0.6809627 0.3190373 0.5000000), wk = 0.0027473 k( 135) = ( 0.6882012 0.3117988 0.5000000), wk = 0.0027473 k( 136) = ( 0.6954398 0.3045602 0.5000000), wk = 0.0027473 k( 137) = ( 0.7026783 0.2973217 0.5000000), wk = 0.0027473 k( 138) = ( 0.7099168 0.2900832 0.5000000), wk = 0.0027473 k( 139) = ( 0.7171553 0.2828447 0.5000000), wk = 0.0027473 k( 140) = ( 0.7243938 0.2756062 0.5000000), wk = 0.0027473 k( 141) = ( 0.7316323 0.2683677 0.5000000), wk = 0.0027473 k( 142) = ( 0.7388708 0.2611292 0.5000000), wk = 0.0027473 k( 143) = ( 0.7461093 0.2538907 0.5000000), wk = 0.0027473 k( 144) = ( 0.7533478 0.2466522 0.5000000), wk = 0.0027473 k( 145) = ( 0.7605863 0.2394137 0.5000000), wk = 0.0027473 k( 146) = ( 0.7678249 0.2321752 0.5000000), wk = 0.0027473 k( 147) = ( 0.7750634 0.2249367 0.5000000), wk = 0.0027473 k( 148) = ( 0.7823019 0.2176981 0.5000000), wk = 0.0027473 k( 149) = ( 0.7895404 0.2104596 0.5000000), wk = 0.0027473 k( 150) = ( 0.7967789 0.2032211 0.5000000), wk = 0.0027473 k( 151) = ( 0.8040174 0.1959826 0.5000000), wk = 0.0027473 k( 152) = ( 0.8112559 0.1887441 0.5000000), wk = 0.0027473 k( 153) = ( 0.8184944 0.1815056 0.5000000), wk = 0.0027473 k( 154) = ( 0.8257329 0.1742671 0.5000000), wk = 0.0027473 k( 155) = ( 0.1742671 -0.1742671 0.5000000), wk = 0.0027473 k( 156) = ( 0.1670059 -0.1670059 0.5000000), wk = 0.0027473 k( 157) = ( 0.1597448 -0.1597448 0.5000000), wk = 0.0027473 k( 158) = ( 0.1524837 -0.1524837 0.5000000), wk = 0.0027473 k( 159) = ( 0.1452226 -0.1452226 0.5000000), wk = 0.0027473 k( 160) = ( 0.1379614 -0.1379614 0.5000000), wk = 0.0027473 k( 161) = ( 0.1307003 -0.1307003 0.5000000), wk = 0.0027473 k( 162) = ( 0.1234392 -0.1234392 0.5000000), wk = 0.0027473 k( 163) = ( 0.1161781 -0.1161780 0.5000000), wk = 0.0027473 k( 164) = ( 0.1089169 -0.1089169 0.5000000), wk = 0.0027473 k( 165) = ( 0.1016558 -0.1016558 0.5000000), wk = 0.0027473 k( 166) = ( 0.0943947 -0.0943947 0.5000000), wk = 0.0027473 k( 167) = ( 0.0871335 -0.0871335 0.5000000), wk = 0.0027473 k( 168) = ( 0.0798724 -0.0798724 0.5000000), wk = 0.0027473 k( 169) = ( 0.0726113 -0.0726113 0.5000000), wk = 0.0027473 k( 170) = ( 0.0653501 -0.0653501 0.5000000), wk = 0.0027473 k( 171) = ( 0.0580890 -0.0580890 0.5000000), wk = 0.0027473 k( 172) = ( 0.0508279 -0.0508279 0.5000000), wk = 0.0027473 k( 173) = ( 0.0435668 -0.0435668 0.5000000), wk = 0.0027473 k( 174) = ( 0.0363056 -0.0363056 0.5000000), wk = 0.0027473 k( 175) = ( 0.0290445 -0.0290445 0.5000000), wk = 0.0027473 k( 176) = ( 0.0217834 -0.0217834 0.5000000), wk = 0.0027473 k( 177) = ( 0.0145223 -0.0145223 0.5000000), wk = 0.0027473 k( 178) = ( 0.0072611 -0.0072611 0.5000000), wk = 0.0027473 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 180) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 181) = ( 0.0247109 0.0247109 0.5264339), wk = 0.0027473 k( 182) = ( 0.0494217 0.0494217 0.5528677), wk = 0.0027473 k( 183) = ( 0.0741326 0.0741326 0.5793016), wk = 0.0027473 k( 184) = ( 0.0988434 0.0988434 0.6057354), wk = 0.0027473 k( 185) = ( 0.1235543 0.1235543 0.6321693), wk = 0.0027473 k( 186) = ( 0.1482651 0.1482651 0.6586032), wk = 0.0027473 k( 187) = ( 0.1729760 0.1729760 0.6850370), wk = 0.0027473 k( 188) = ( 0.1976869 0.1976869 0.7114709), wk = 0.0027473 k( 189) = ( 0.2223977 0.2223977 0.7379048), wk = 0.0027473 k( 190) = ( 0.2471086 0.2471086 0.7643386), wk = 0.0027473 k( 191) = ( 0.2718194 0.2718194 0.7907725), wk = 0.0027473 k( 192) = ( 0.2965303 0.2965303 0.8172063), wk = 0.0027473 k( 193) = ( 0.3212411 0.3212411 0.8436402), wk = 0.0027473 k( 194) = ( 0.3459520 0.3459520 0.8700741), wk = 0.0027473 k( 195) = ( 0.3706629 0.3706629 0.8965079), wk = 0.0027473 k( 196) = ( 0.3953737 0.3953737 0.9229418), wk = 0.0027473 k( 197) = ( 0.4200846 0.4200846 0.9493756), wk = 0.0027473 k( 198) = ( 0.4447954 0.4447954 0.9758095), wk = 0.0027473 k( 199) = ( 0.4695063 0.4695063 1.0022434), wk = 0.0027473 k( 200) = ( 0.4942171 0.4942171 1.0286772), wk = 0.0027473 k( 201) = ( 0.5189280 0.5189280 1.0551111), wk = 0.0027473 k( 202) = ( 0.5436389 0.5436389 1.0815450), wk = 0.0027473 k( 203) = ( 0.5683497 0.5683497 1.1079788), wk = 0.0027473 k( 204) = ( 0.5930606 0.5930606 1.1344127), wk = 0.0027473 k( 205) = ( 0.6177714 0.6177714 1.1608465), wk = 0.0027473 k( 206) = ( 0.6424823 0.6424823 1.1872804), wk = 0.0027473 k( 207) = ( 0.6671932 0.6671932 1.2137143), wk = 0.0027473 k( 208) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027473 k( 209) = ( 0.5072421 0.4927578 -0.0000000), wk = 0.0027473 k( 210) = ( 0.5144843 0.4855157 -0.0000000), wk = 0.0027473 k( 211) = ( 0.5217265 0.4782735 0.0000000), wk = 0.0027473 k( 212) = ( 0.5289686 0.4710314 0.0000000), wk = 0.0027473 k( 213) = ( 0.5362108 0.4637892 0.0000000), wk = 0.0027473 k( 214) = ( 0.5434529 0.4565471 -0.0000000), wk = 0.0027473 k( 215) = ( 0.5506951 0.4493049 0.0000000), wk = 0.0027473 k( 216) = ( 0.5579372 0.4420628 0.0000000), wk = 0.0027473 k( 217) = ( 0.5651794 0.4348206 0.0000000), wk = 0.0027473 k( 218) = ( 0.5724215 0.4275785 0.0000000), wk = 0.0027473 k( 219) = ( 0.5796637 0.4203363 0.0000000), wk = 0.0027473 k( 220) = ( 0.5869058 0.4130942 0.0000000), wk = 0.0027473 k( 221) = ( 0.5941480 0.4058520 0.0000000), wk = 0.0027473 k( 222) = ( 0.6013901 0.3986099 -0.0000000), wk = 0.0027473 k( 223) = ( 0.6086323 0.3913677 0.0000000), wk = 0.0027473 k( 224) = ( 0.6158744 0.3841256 0.0000000), wk = 0.0027473 k( 225) = ( 0.3841256 -0.3841256 0.0000000), wk = 0.0027473 k( 226) = ( 0.3768779 -0.3768779 0.0000000), wk = 0.0027473 k( 227) = ( 0.3696303 -0.3696303 0.0000000), wk = 0.0027473 k( 228) = ( 0.3623826 -0.3623826 0.0000000), wk = 0.0027473 k( 229) = ( 0.3551350 -0.3551350 -0.0000000), wk = 0.0027473 k( 230) = ( 0.3478873 -0.3478873 -0.0000000), wk = 0.0027473 k( 231) = ( 0.3406397 -0.3406397 0.0000000), wk = 0.0027473 k( 232) = ( 0.3333920 -0.3333920 -0.0000000), wk = 0.0027473 k( 233) = ( 0.3261444 -0.3261443 0.0000000), wk = 0.0027473 k( 234) = ( 0.3188967 -0.3188967 0.0000000), wk = 0.0027473 k( 235) = ( 0.3116490 -0.3116491 -0.0000000), wk = 0.0027473 k( 236) = ( 0.3044014 -0.3044014 0.0000000), wk = 0.0027473 k( 237) = ( 0.2971537 -0.2971537 -0.0000000), wk = 0.0027473 k( 238) = ( 0.2899061 -0.2899061 -0.0000000), wk = 0.0027473 k( 239) = ( 0.2826584 -0.2826584 0.0000000), wk = 0.0027473 k( 240) = ( 0.2754108 -0.2754108 -0.0000000), wk = 0.0027473 k( 241) = ( 0.2681631 -0.2681631 -0.0000000), wk = 0.0027473 k( 242) = ( 0.2609155 -0.2609155 0.0000000), wk = 0.0027473 k( 243) = ( 0.2536678 -0.2536678 -0.0000000), wk = 0.0027473 k( 244) = ( 0.2464202 -0.2464202 -0.0000000), wk = 0.0027473 k( 245) = ( 0.2391725 -0.2391725 -0.0000000), wk = 0.0027473 k( 246) = ( 0.2319249 -0.2319249 0.0000000), wk = 0.0027473 k( 247) = ( 0.2246772 -0.2246772 0.0000000), wk = 0.0027473 k( 248) = ( 0.2174296 -0.2174296 -0.0000000), wk = 0.0027473 k( 249) = ( 0.2101819 -0.2101819 0.0000000), wk = 0.0027473 k( 250) = ( 0.2029343 -0.2029343 -0.0000000), wk = 0.0027473 k( 251) = ( 0.1956866 -0.1956866 0.0000000), wk = 0.0027473 k( 252) = ( 0.1884390 -0.1884390 0.0000000), wk = 0.0027473 k( 253) = ( 0.1811913 -0.1811913 0.0000000), wk = 0.0027473 k( 254) = ( 0.1739437 -0.1739437 -0.0000000), wk = 0.0027473 k( 255) = ( 0.1666960 -0.1666960 -0.0000000), wk = 0.0027473 k( 256) = ( 0.1594483 -0.1594483 0.0000000), wk = 0.0027473 k( 257) = ( 0.1522007 -0.1522007 0.0000000), wk = 0.0027473 k( 258) = ( 0.1449530 -0.1449530 -0.0000000), wk = 0.0027473 k( 259) = ( 0.1377054 -0.1377054 -0.0000000), wk = 0.0027473 k( 260) = ( 0.1304577 -0.1304577 0.0000000), wk = 0.0027473 k( 261) = ( 0.1232101 -0.1232101 -0.0000000), wk = 0.0027473 k( 262) = ( 0.1159624 -0.1159624 0.0000000), wk = 0.0027473 k( 263) = ( 0.1087148 -0.1087148 -0.0000000), wk = 0.0027473 k( 264) = ( 0.1014671 -0.1014671 -0.0000000), wk = 0.0027473 k( 265) = ( 0.0942195 -0.0942195 0.0000000), wk = 0.0027473 k( 266) = ( 0.0869718 -0.0869718 -0.0000000), wk = 0.0027473 k( 267) = ( 0.0797242 -0.0797242 -0.0000000), wk = 0.0027473 k( 268) = ( 0.0724765 -0.0724765 -0.0000000), wk = 0.0027473 k( 269) = ( 0.0652289 -0.0652289 0.0000000), wk = 0.0027473 k( 270) = ( 0.0579812 -0.0579812 0.0000000), wk = 0.0027473 k( 271) = ( 0.0507336 -0.0507336 0.0000000), wk = 0.0027473 k( 272) = ( 0.0434859 -0.0434859 -0.0000000), wk = 0.0027473 k( 273) = ( 0.0362383 -0.0362383 -0.0000000), wk = 0.0027473 k( 274) = ( 0.0289906 -0.0289906 0.0000000), wk = 0.0027473 k( 275) = ( 0.0217430 -0.0217430 0.0000000), wk = 0.0027473 k( 276) = ( 0.0144953 -0.0144953 -0.0000000), wk = 0.0027473 k( 277) = ( 0.0072476 -0.0072476 -0.0000000), wk = 0.0027473 k( 278) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 279) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 280) = ( 0.0116279 0.0000000 0.0000000), wk = 0.0027473 k( 281) = ( 0.0232558 0.0000000 0.0000000), wk = 0.0027473 k( 282) = ( 0.0348837 0.0000000 -0.0000000), wk = 0.0027473 k( 283) = ( 0.0465116 0.0000000 -0.0000000), wk = 0.0027473 k( 284) = ( 0.0581395 0.0000000 0.0000000), wk = 0.0027473 k( 285) = ( 0.0697674 0.0000000 -0.0000000), wk = 0.0027473 k( 286) = ( 0.0813954 0.0000000 0.0000000), wk = 0.0027473 k( 287) = ( 0.0930233 0.0000000 -0.0000000), wk = 0.0027473 k( 288) = ( 0.1046512 0.0000000 0.0000000), wk = 0.0027473 k( 289) = ( 0.1162791 0.0000000 -0.0000000), wk = 0.0027473 k( 290) = ( 0.1279070 0.0000000 0.0000000), wk = 0.0027473 k( 291) = ( 0.1395349 0.0000000 -0.0000000), wk = 0.0027473 k( 292) = ( 0.1511628 0.0000000 0.0000000), wk = 0.0027473 k( 293) = ( 0.1627907 0.0000000 0.0000000), wk = 0.0027473 k( 294) = ( 0.1744186 0.0000000 0.0000000), wk = 0.0027473 k( 295) = ( 0.1860465 0.0000000 0.0000000), wk = 0.0027473 k( 296) = ( 0.1976744 0.0000000 0.0000000), wk = 0.0027473 k( 297) = ( 0.2093023 0.0000000 0.0000000), wk = 0.0027473 k( 298) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0027473 k( 299) = ( 0.2325581 0.0000000 -0.0000000), wk = 0.0027473 k( 300) = ( 0.2441860 0.0000000 0.0000000), wk = 0.0027473 k( 301) = ( 0.2558140 0.0000000 0.0000000), wk = 0.0027473 k( 302) = ( 0.2674419 0.0000000 0.0000000), wk = 0.0027473 k( 303) = ( 0.2790698 0.0000000 0.0000000), wk = 0.0027473 k( 304) = ( 0.2906977 0.0000000 0.0000000), wk = 0.0027473 k( 305) = ( 0.3023256 0.0000000 0.0000000), wk = 0.0027473 k( 306) = ( 0.3139535 0.0000000 -0.0000000), wk = 0.0027473 k( 307) = ( 0.3255814 0.0000000 0.0000000), wk = 0.0027473 k( 308) = ( 0.3372093 0.0000000 0.0000000), wk = 0.0027473 k( 309) = ( 0.3488372 0.0000000 -0.0000000), wk = 0.0027473 k( 310) = ( 0.3604651 0.0000000 0.0000000), wk = 0.0027473 k( 311) = ( 0.3720930 0.0000000 0.0000000), wk = 0.0027473 k( 312) = ( 0.3837209 0.0000000 0.0000000), wk = 0.0027473 k( 313) = ( 0.3953488 0.0000000 0.0000000), wk = 0.0027473 k( 314) = ( 0.4069767 0.0000000 0.0000000), wk = 0.0027473 k( 315) = ( 0.4186047 0.0000000 0.0000000), wk = 0.0027473 k( 316) = ( 0.4302326 0.0000000 0.0000000), wk = 0.0027473 k( 317) = ( 0.4418605 0.0000000 0.0000000), wk = 0.0027473 k( 318) = ( 0.4534884 0.0000000 0.0000000), wk = 0.0027473 k( 319) = ( 0.4651163 0.0000000 -0.0000000), wk = 0.0027473 k( 320) = ( 0.4767442 0.0000000 0.0000000), wk = 0.0027473 k( 321) = ( 0.4883721 0.0000000 0.0000000), wk = 0.0027473 k( 322) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027473 k( 323) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027473 k( 324) = ( 0.4878049 0.0000000 0.4878049), wk = 0.0027473 k( 325) = ( 0.4756098 0.0000000 0.4756098), wk = 0.0027473 k( 326) = ( 0.4634146 0.0000000 0.4634146), wk = 0.0027473 k( 327) = ( 0.4512195 0.0000000 0.4512195), wk = 0.0027473 k( 328) = ( 0.4390244 0.0000000 0.4390244), wk = 0.0027473 k( 329) = ( 0.4268293 0.0000000 0.4268293), wk = 0.0027473 k( 330) = ( 0.4146341 0.0000000 0.4146341), wk = 0.0027473 k( 331) = ( 0.4024390 0.0000000 0.4024390), wk = 0.0027473 k( 332) = ( 0.3902439 0.0000000 0.3902439), wk = 0.0027473 k( 333) = ( 0.3780488 0.0000000 0.3780488), wk = 0.0027473 k( 334) = ( 0.3658537 0.0000000 0.3658537), wk = 0.0027473 k( 335) = ( 0.3536585 0.0000000 0.3536585), wk = 0.0027473 k( 336) = ( 0.3414634 0.0000000 0.3414634), wk = 0.0027473 k( 337) = ( 0.3292683 0.0000000 0.3292683), wk = 0.0027473 k( 338) = ( 0.3170732 0.0000000 0.3170732), wk = 0.0027473 k( 339) = ( 0.3048781 0.0000000 0.3048781), wk = 0.0027473 k( 340) = ( 0.2926829 0.0000000 0.2926829), wk = 0.0027473 k( 341) = ( 0.2804878 0.0000000 0.2804878), wk = 0.0027473 k( 342) = ( 0.2682927 0.0000000 0.2682927), wk = 0.0027473 k( 343) = ( 0.2560976 0.0000000 0.2560976), wk = 0.0027473 k( 344) = ( 0.2439024 0.0000000 0.2439024), wk = 0.0027473 k( 345) = ( 0.2317073 0.0000000 0.2317073), wk = 0.0027473 k( 346) = ( 0.2195122 0.0000000 0.2195122), wk = 0.0027473 k( 347) = ( 0.2073171 0.0000000 0.2073171), wk = 0.0027473 k( 348) = ( 0.1951219 0.0000000 0.1951219), wk = 0.0027473 k( 349) = ( 0.1829268 0.0000000 0.1829268), wk = 0.0027473 k( 350) = ( 0.1707317 0.0000000 0.1707317), wk = 0.0027473 k( 351) = ( 0.1585366 0.0000000 0.1585366), wk = 0.0027473 k( 352) = ( 0.1463415 0.0000000 0.1463415), wk = 0.0027473 k( 353) = ( 0.1341463 0.0000000 0.1341463), wk = 0.0027473 k( 354) = ( 0.1219512 0.0000000 0.1219512), wk = 0.0027473 k( 355) = ( 0.1097561 0.0000000 0.1097561), wk = 0.0027473 k( 356) = ( 0.0975610 0.0000000 0.0975610), wk = 0.0027473 k( 357) = ( 0.0853658 0.0000000 0.0853658), wk = 0.0027473 k( 358) = ( 0.0731707 0.0000000 0.0731707), wk = 0.0027473 k( 359) = ( 0.0609756 0.0000000 0.0609756), wk = 0.0027473 k( 360) = ( 0.0487805 0.0000000 0.0487805), wk = 0.0027473 k( 361) = ( 0.0365854 0.0000000 0.0365854), wk = 0.0027473 k( 362) = ( 0.0243902 -0.0000000 0.0243902), wk = 0.0027473 k( 363) = ( 0.0121951 -0.0000000 0.0121951), wk = 0.0027473 k( 364) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 Dense grid: 88837 G-vectors FFT dimensions: ( 90, 90, 100) Smooth grid: 35167 G-vectors FFT dimensions: ( 72, 72, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 186, 44) NL pseudopotentials 0.18 Mb ( 93, 124) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.01 Mb ( 1851) G-vector shells 0.01 Mb ( 1840) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.50 Mb ( 186, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.17 Mb ( 124, 2, 44) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./KCN.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.4 secs Computing kpt #: 2 total cpu time spent up to now is 44.6 secs Computing kpt #: 3 total cpu time spent up to now is 46.8 secs Computing kpt #: 4 total cpu time spent up to now is 49.0 secs Computing kpt #: 5 total cpu time spent up to now is 51.1 secs Computing kpt #: 6 total cpu time spent up to now is 53.3 secs Computing kpt #: 7 total cpu time spent up to now is 55.4 secs Computing kpt #: 8 total cpu time spent up to now is 57.4 secs Computing kpt #: 9 total cpu time spent up to now is 59.5 secs Computing kpt #: 10 total cpu time spent up to now is 61.5 secs Computing kpt #: 11 total cpu time spent up to now is 63.6 secs Computing kpt #: 12 total cpu time spent up to now is 65.6 secs Computing kpt #: 13 total cpu time spent up to now is 67.7 secs Computing kpt #: 14 total cpu time spent up to now is 69.7 secs Computing kpt #: 15 total cpu time spent up to now is 71.8 secs Computing kpt #: 16 total cpu time spent up to now is 73.9 secs Computing kpt #: 17 total cpu time spent up to now is 75.9 secs Computing kpt #: 18 total cpu time spent up to now is 78.1 secs Computing kpt #: 19 total cpu time spent up to now is 80.2 secs Computing kpt #: 20 total cpu time spent up to now is 82.2 secs Computing kpt #: 21 total cpu time spent up to now is 84.2 secs Computing kpt #: 22 total cpu time spent up to now is 86.3 secs Computing kpt #: 23 total cpu time spent up to now is 88.3 secs Computing kpt #: 24 total cpu time spent up to now is 90.1 secs Computing kpt #: 25 total cpu time spent up to now is 91.9 secs Computing kpt #: 26 total cpu time spent up to now is 93.7 secs Computing kpt #: 27 total cpu time spent up to now is 95.5 secs Computing kpt #: 28 total cpu time spent up to now is 97.3 secs Computing kpt #: 29 total cpu time spent up to now is 99.1 secs Computing kpt #: 30 total cpu time spent up to now is 100.9 secs Computing kpt #: 31 total cpu time spent up to now is 102.8 secs Computing kpt #: 32 total cpu time spent up to now is 104.7 secs Computing kpt #: 33 total cpu time spent up to now is 106.6 secs Computing kpt #: 34 total cpu time spent up to now is 108.7 secs Computing kpt #: 35 total cpu time spent up to now is 110.8 secs Computing kpt #: 36 total cpu time spent up to now is 112.9 secs Computing kpt #: 37 total cpu time spent up to now is 115.0 secs Computing kpt #: 38 total cpu time spent up to now is 117.1 secs Computing kpt #: 39 total cpu time spent up to now is 119.2 secs Computing kpt #: 40 total cpu time spent up to now is 121.2 secs Computing kpt #: 41 total cpu time spent up to now is 123.3 secs Computing kpt #: 42 total cpu time spent up to now is 125.3 secs Computing kpt #: 43 total cpu time spent up to now is 127.4 secs Computing kpt #: 44 total cpu time spent up to now is 129.4 secs Computing kpt #: 45 total cpu time spent up to now is 131.5 secs Computing kpt #: 46 total cpu time spent up to now is 133.5 secs Computing kpt #: 47 total cpu time spent up to now is 135.5 secs Computing kpt #: 48 total cpu time spent up to now is 137.5 secs Computing kpt #: 49 total cpu time spent up to now is 139.6 secs Computing kpt #: 50 total cpu time spent up to now is 141.6 secs Computing kpt #: 51 total cpu time spent up to now is 143.6 secs Computing kpt #: 52 total cpu time spent up to now is 145.6 secs Computing kpt #: 53 total cpu time spent up to now is 147.7 secs Computing kpt #: 54 total cpu time spent up to now is 149.7 secs Computing kpt #: 55 total cpu time spent up to now is 151.7 secs Computing kpt #: 56 total cpu time spent up to now is 153.8 secs Computing kpt #: 57 total cpu time spent up to now is 155.8 secs Computing kpt #: 58 total cpu time spent up to now is 157.8 secs Computing kpt #: 59 total cpu time spent up to now is 159.8 secs Computing kpt #: 60 total cpu time spent up to now is 161.8 secs Computing kpt #: 61 total cpu time spent up to now is 163.9 secs Computing kpt #: 62 total cpu time spent up 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Computing kpt #: 78 total cpu time spent up to now is 199.1 secs Computing kpt #: 79 total cpu time spent up to now is 201.1 secs Computing kpt #: 80 total cpu time spent up to now is 203.2 secs Computing kpt #: 81 total cpu time spent up to now is 205.2 secs Computing kpt #: 82 total cpu time spent up to now is 207.3 secs Computing kpt #: 83 total cpu time spent up to now is 209.3 secs Computing kpt #: 84 total cpu time spent up to now is 211.4 secs Computing kpt #: 85 total cpu time spent up to now is 213.4 secs Computing kpt #: 86 total cpu time spent up to now is 215.4 secs Computing kpt #: 87 total cpu time spent up to now is 217.5 secs Computing kpt #: 88 total cpu time spent up to now is 219.3 secs Computing kpt #: 89 total cpu time spent up to now is 221.3 secs Computing kpt #: 90 total cpu time spent up to now is 223.2 secs Computing kpt #: 91 total cpu time spent up to now is 225.2 secs Computing kpt #: 92 total cpu time spent up to now is 227.0 secs Computing kpt #: 93 total cpu time spent up to now is 228.9 secs Computing kpt #: 94 total cpu time spent up to now is 230.8 secs Computing kpt #: 95 total cpu time spent up to now is 232.7 secs Computing kpt #: 96 total cpu time spent up to now is 234.5 secs Computing kpt #: 97 total cpu time spent up to now is 236.5 secs Computing kpt #: 98 total cpu time spent up to now is 238.5 secs Computing kpt #: 99 total cpu time spent up to now is 240.6 secs Computing kpt #: 100 total cpu time spent up to now is 242.4 secs Computing kpt #: 101 total cpu time spent up to now is 244.3 secs Computing kpt #: 102 total cpu time spent up to now is 246.1 secs Computing kpt #: 103 total cpu time spent up to now is 248.0 secs Computing kpt #: 104 total cpu time spent up to now is 250.8 secs Computing kpt #: 105 total cpu time spent up to now is 253.9 secs Computing kpt #: 106 total cpu time spent up to now is 256.3 secs Computing kpt #: 107 total cpu time spent up to now is 258.1 secs Computing kpt #: 108 total cpu time spent up to now is 259.9 secs Computing kpt #: 109 total cpu time spent up to now is 261.7 secs Computing kpt #: 110 total cpu time spent up to now is 263.5 secs Computing kpt #: 111 total cpu time spent up to now is 265.3 secs Computing kpt #: 112 total cpu time spent up to now is 267.1 secs Computing kpt #: 113 total cpu time spent up to now is 268.9 secs Computing kpt #: 114 total cpu time spent up to now is 270.8 secs Computing kpt #: 115 total cpu time spent up to now is 272.6 secs Computing kpt #: 116 total cpu time spent up to now is 274.5 secs Computing kpt #: 117 total cpu time spent up to now is 276.3 secs Computing kpt #: 118 total cpu time spent up to now is 278.2 secs Computing kpt #: 119 total cpu time spent up to now is 280.0 secs Computing kpt #: 120 total cpu time spent up to now is 282.0 secs Computing kpt #: 121 total cpu time spent up to now is 284.1 secs Computing kpt #: 122 total cpu time spent up to now is 286.3 secs Computing kpt #: 123 total cpu time spent up to now is 288.4 secs Computing kpt #: 124 total cpu time spent up to now is 290.5 secs Computing kpt #: 125 total cpu time spent up to now is 292.6 secs Computing kpt #: 126 total cpu time spent up to now is 294.7 secs Computing kpt #: 127 total cpu time spent up to now is 296.8 secs Computing kpt #: 128 total cpu time spent up to now is 298.9 secs Computing kpt #: 129 total cpu time spent up to now is 301.0 secs Computing kpt #: 130 total cpu time spent up to now is 303.2 secs Computing kpt #: 131 total cpu time spent up to now is 305.2 secs Computing kpt #: 132 total cpu time spent up to now is 307.2 secs Computing kpt #: 133 total cpu time spent up to now is 309.3 secs Computing kpt #: 134 total cpu time spent up to now is 311.3 secs Computing kpt #: 135 total cpu time spent up to now is 313.3 secs Computing kpt #: 136 total cpu time spent up to now is 315.4 secs Computing kpt #: 137 total cpu time spent up to now is 317.5 secs Computing kpt #: 138 total cpu time spent up to now is 319.6 secs Computing kpt #: 139 total cpu time spent up to now is 321.7 secs Computing kpt #: 140 total cpu time spent up to now is 323.8 secs Computing kpt #: 141 total cpu time spent up to now is 325.8 secs Computing kpt #: 142 total cpu time spent up to now is 327.9 secs Computing kpt #: 143 total cpu time spent up to now is 329.9 secs Computing kpt #: 144 total cpu time spent up to now is 332.0 secs Computing kpt #: 145 total cpu time spent up to now is 334.1 secs Computing kpt #: 146 total cpu time spent up to now is 336.1 secs Computing kpt #: 147 total cpu time spent up to now is 338.2 secs Computing kpt #: 148 total cpu time spent up to now is 340.3 secs Computing kpt #: 149 total cpu time spent up to now is 342.3 secs Computing kpt #: 150 total cpu time spent up to now is 344.4 secs Computing kpt #: 151 total cpu time spent up to now is 346.5 secs Computing kpt #: 152 total cpu time spent up to now is 348.5 secs Computing kpt #: 153 total cpu time spent up to now is 350.6 secs Computing kpt #: 154 total cpu time spent up to now is 352.6 secs Computing kpt #: 155 total cpu time spent up to now is 354.7 secs Computing kpt #: 156 total cpu time spent up to now is 356.9 secs Computing kpt #: 157 total cpu time spent up to now is 359.0 secs Computing kpt #: 158 total cpu time spent up to now is 361.1 secs Computing kpt #: 159 total cpu time spent up to now is 363.2 secs Computing kpt #: 160 total cpu time spent up to now is 365.2 secs Computing kpt #: 161 total cpu time spent up to now is 367.3 secs Computing kpt #: 162 total cpu time spent up to now is 369.4 secs Computing kpt #: 163 total cpu time spent up to now is 371.4 secs Computing kpt #: 164 total cpu time spent up to now is 373.4 secs Computing kpt #: 165 total cpu time spent up to now is 375.5 secs Computing kpt #: 166 total cpu time spent up to now is 377.5 secs Computing kpt #: 167 total cpu time spent up to now is 379.7 secs Computing kpt #: 168 total cpu time spent up to now is 381.8 secs Computing kpt #: 169 total cpu time spent up to now is 383.7 secs Computing kpt #: 170 total cpu time spent up to now is 385.8 secs Computing kpt #: 171 total cpu time spent up to now is 387.6 secs Computing kpt #: 172 total cpu time spent up to now is 389.3 secs Computing kpt #: 173 total cpu time spent up to now is 391.1 secs Computing kpt #: 174 total cpu time spent up to now is 392.9 secs Computing kpt #: 175 total cpu time spent up to now is 394.6 secs Computing kpt #: 176 total cpu time spent up to now is 396.4 secs Computing kpt #: 177 total cpu time spent up to now is 398.2 secs Computing kpt #: 178 total cpu time spent up to now is 400.0 secs Computing kpt #: 179 total cpu time spent up to now is 401.8 secs Computing kpt #: 180 total cpu time spent up to now is 403.5 secs Computing kpt #: 181 total cpu time spent up to now is 405.3 secs Computing kpt #: 182 total cpu time spent up to now is 407.1 secs Computing kpt #: 183 total cpu time spent up to now is 408.9 secs Computing kpt #: 184 total cpu time spent up to now is 410.7 secs Computing kpt #: 185 total cpu time spent up to now is 412.5 secs Computing kpt #: 186 total cpu time spent up to now is 414.3 secs Computing kpt #: 187 total cpu time spent up to now is 416.1 secs Computing kpt #: 188 total cpu time spent up to now is 417.9 secs Computing kpt #: 189 total cpu time spent up to now is 420.1 secs Computing kpt #: 190 total cpu time spent up to now is 422.1 secs Computing kpt #: 191 total cpu time spent up to now is 423.9 secs Computing kpt #: 192 total cpu time spent up to now is 425.7 secs Computing kpt #: 193 total cpu time spent up to now is 427.9 secs Computing kpt #: 194 total cpu time spent up to now is 429.9 secs Computing kpt #: 195 total cpu time spent up to now is 431.9 secs Computing kpt #: 196 total cpu time spent up to now is 433.9 secs Computing kpt #: 197 total cpu time spent up to now is 435.9 secs Computing kpt #: 198 total cpu time spent up to now is 437.9 secs Computing kpt #: 199 total cpu 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up to now is 470.2 secs Computing kpt #: 215 total cpu time spent up to now is 472.2 secs Computing kpt #: 216 total cpu time spent up to now is 474.2 secs Computing kpt #: 217 total cpu time spent up to now is 476.3 secs Computing kpt #: 218 total cpu time spent up to now is 478.4 secs Computing kpt #: 219 total cpu time spent up to now is 480.4 secs Computing kpt #: 220 total cpu time spent up to now is 482.5 secs Computing kpt #: 221 total cpu time spent up to now is 484.5 secs Computing kpt #: 222 total cpu time spent up to now is 486.5 secs Computing kpt #: 223 total cpu time spent up to now is 488.6 secs Computing kpt #: 224 total cpu time spent up to now is 490.7 secs Computing kpt #: 225 total cpu time spent up to now is 492.8 secs Computing kpt #: 226 total cpu time spent up to now is 494.9 secs Computing kpt #: 227 total cpu time spent up to now is 496.9 secs Computing kpt #: 228 total cpu time spent up to now is 499.0 secs Computing kpt #: 229 total cpu time spent up to now is 501.0 secs Computing kpt #: 230 total cpu time spent up to now is 503.1 secs Computing kpt #: 231 total cpu time spent up to now is 505.1 secs Computing kpt #: 232 total cpu time spent up to now is 507.2 secs Computing kpt #: 233 total cpu time spent up to now is 509.2 secs Computing kpt #: 234 total cpu time spent up to now is 511.3 secs Computing kpt #: 235 total cpu time spent up to now is 513.4 secs Computing kpt #: 236 total cpu time spent up to now is 515.4 secs Computing kpt #: 237 total cpu time spent up to now is 517.5 secs Computing kpt #: 238 total cpu time spent up to now is 519.6 secs Computing kpt #: 239 total cpu time spent up to now is 521.6 secs Computing kpt #: 240 total cpu time spent up to now is 523.7 secs Computing kpt #: 241 total cpu time spent up to now is 525.8 secs Computing kpt #: 242 total cpu time spent up to now is 527.9 secs Computing kpt #: 243 total cpu time spent up to now is 530.0 secs Computing kpt #: 244 total cpu time spent up to now is 532.1 secs Computing kpt #: 245 total cpu time spent up to now is 534.1 secs Computing kpt #: 246 total cpu time spent up to now is 536.2 secs Computing kpt #: 247 total cpu time spent up to now is 538.3 secs Computing kpt #: 248 total cpu time spent up to now is 540.4 secs Computing kpt #: 249 total cpu time spent up to now is 542.5 secs Computing kpt #: 250 total cpu time spent up to now is 544.6 secs Computing kpt #: 251 total cpu time spent up to now is 546.7 secs Computing kpt #: 252 total cpu time spent up to now is 548.9 secs Computing kpt #: 253 total cpu time spent up to now is 552.5 secs Computing kpt #: 254 total cpu time spent up to now is 555.8 secs Computing kpt #: 255 total cpu time spent up to now is 558.2 secs Computing kpt #: 256 total cpu time spent up to now is 560.3 secs Computing kpt #: 257 total cpu time spent up to now is 562.4 secs Computing kpt #: 258 total cpu time spent up to now is 564.5 secs Computing kpt #: 259 total cpu time spent up to now is 566.6 secs Computing kpt #: 260 total cpu time spent up to now is 568.7 secs Computing kpt #: 261 total cpu time spent up to now is 570.8 secs Computing kpt #: 262 total cpu time spent up to now is 573.0 secs Computing kpt #: 263 total cpu time spent up to now is 575.1 secs Computing kpt #: 264 total cpu time spent up to now is 577.2 secs Computing kpt #: 265 total cpu time spent up to now is 579.4 secs Computing kpt #: 266 total cpu time spent up to now is 581.5 secs Computing kpt #: 267 total cpu time spent up to now is 583.6 secs Computing kpt #: 268 total cpu time spent up to now is 585.8 secs Computing kpt #: 269 total cpu time spent up to now is 587.9 secs Computing kpt #: 270 total cpu time spent up to now is 590.0 secs Computing kpt #: 271 total cpu time spent up to now is 592.1 secs Computing kpt #: 272 total cpu time spent up to now is 594.2 secs Computing kpt #: 273 total cpu time spent up to now is 596.3 secs Computing kpt #: 274 total cpu time spent up to now is 598.4 secs Computing kpt #: 275 total cpu time spent up to now is 600.5 secs Computing kpt #: 276 total cpu time spent up to now is 602.6 secs Computing kpt #: 277 total cpu time spent up to now is 604.7 secs Computing kpt #: 278 total cpu time spent up to now is 606.8 secs Computing kpt #: 279 total cpu time spent up to now is 608.9 secs Computing kpt #: 280 total cpu time spent up to now is 611.0 secs Computing kpt #: 281 total cpu time spent up to now is 613.0 secs Computing kpt #: 282 total cpu time spent up to now is 615.1 secs Computing kpt #: 283 total cpu time spent up to now is 617.3 secs Computing kpt #: 284 total cpu time spent up to now is 619.4 secs Computing kpt #: 285 total cpu time spent up to now is 621.5 secs Computing kpt #: 286 total cpu time spent up to now is 623.6 secs Computing kpt #: 287 total cpu time spent up to now is 625.8 secs Computing kpt #: 288 total cpu time spent up to now is 628.0 secs Computing kpt #: 289 total cpu time spent up to now is 630.1 secs Computing kpt #: 290 total cpu time spent up to now is 632.2 secs Computing kpt #: 291 total cpu time spent up to now is 634.3 secs Computing kpt #: 292 total cpu time spent up to now is 636.4 secs Computing kpt #: 293 total cpu time spent up to now is 638.6 secs Computing kpt #: 294 total cpu time spent up to now is 640.8 secs Computing kpt #: 295 total cpu time spent up to now is 642.9 secs Computing kpt #: 296 total cpu time spent up to now is 645.0 secs Computing kpt #: 297 total cpu time spent up to now is 647.1 secs Computing kpt #: 298 total cpu time spent up to now is 649.2 secs Computing kpt #: 299 total cpu time spent up to now is 651.3 secs Computing kpt #: 300 total cpu time spent up to now is 653.4 secs Computing kpt #: 301 total cpu time spent up to now is 655.5 secs Computing kpt #: 302 total cpu time spent up to now is 657.6 secs Computing kpt #: 303 total cpu time spent up to now is 659.7 secs Computing kpt #: 304 total cpu time spent up to now is 661.8 secs Computing kpt #: 305 total cpu time spent up to now is 663.9 secs Computing kpt #: 306 total cpu time spent up to now is 666.0 secs Computing kpt #: 307 total cpu time spent up to now is 668.0 secs Computing kpt #: 308 total cpu time spent up to now is 670.1 secs Computing kpt #: 309 total cpu time spent up to now is 672.2 secs Computing kpt #: 310 total cpu time spent up to now is 674.3 secs Computing kpt #: 311 total cpu time spent up to now is 676.3 secs Computing kpt #: 312 total cpu time spent up to now is 678.4 secs Computing kpt #: 313 total cpu time spent up to now is 680.7 secs Computing kpt #: 314 total cpu time spent up to now is 682.9 secs Computing kpt #: 315 total cpu time spent up to now is 685.0 secs Computing kpt #: 316 total cpu time spent up to now is 687.1 secs Computing kpt #: 317 total cpu time spent up to now is 689.2 secs Computing kpt #: 318 total cpu time spent up to now is 691.3 secs Computing kpt #: 319 total cpu time spent up to now is 693.4 secs Computing kpt #: 320 total cpu time spent up to now is 695.5 secs Computing kpt #: 321 total cpu time spent up to now is 697.7 secs Computing kpt #: 322 total cpu time spent up to now is 699.8 secs Computing kpt #: 323 total cpu time spent up to now is 701.9 secs Computing kpt #: 324 total cpu time spent up to now is 703.9 secs Computing kpt #: 325 total cpu time spent up to now is 706.0 secs Computing kpt #: 326 total cpu time spent up to now is 708.0 secs Computing kpt #: 327 total cpu time spent up to now is 710.1 secs Computing kpt #: 328 total cpu time spent up to now is 712.2 secs Computing kpt #: 329 total cpu time spent up to now is 714.2 secs Computing kpt #: 330 total cpu time spent up to now is 716.3 secs Computing kpt #: 331 total cpu time spent up to now is 718.4 secs Computing kpt #: 332 total cpu time spent up to now is 720.4 secs Computing kpt #: 333 total cpu time spent up to now is 722.5 secs Computing kpt #: 334 total cpu time spent up to now is 724.6 secs Computing kpt #: 335 total cpu time spent up to now is 726.6 secs Computing kpt #: 336 total cpu time spent up to now is 728.7 secs Computing kpt #: 337 total cpu time spent up to now is 730.7 secs Computing kpt #: 338 total cpu time spent up to now is 732.7 secs Computing kpt #: 339 total cpu time spent up to now is 734.8 secs Computing kpt #: 340 total cpu time spent up to now is 736.9 secs Computing kpt #: 341 total cpu time spent up to now is 738.9 secs Computing kpt #: 342 total cpu time spent up to now is 741.0 secs Computing kpt #: 343 total cpu time spent up to now is 743.0 secs Computing kpt #: 344 total cpu time spent up to now is 745.1 secs Computing kpt #: 345 total cpu time spent up to now is 747.2 secs Computing kpt #: 346 total cpu time spent up to now is 749.3 secs Computing kpt #: 347 total cpu time spent up to now is 751.4 secs Computing kpt #: 348 total cpu time spent up to now is 753.6 secs Computing kpt #: 349 total cpu time spent up to now is 755.7 secs Computing kpt #: 350 total cpu time spent up to now is 757.8 secs Computing kpt #: 351 total cpu time spent up to now is 759.9 secs Computing kpt #: 352 total cpu time spent up to now is 762.0 secs Computing kpt #: 353 total cpu time spent up to now is 764.1 secs Computing kpt #: 354 total cpu time spent up to now is 766.3 secs Computing kpt #: 355 total cpu time spent up to now is 768.4 secs Computing kpt #: 356 total cpu time spent up to now is 770.5 secs Computing kpt #: 357 total cpu time spent up to now is 772.7 secs Computing kpt #: 358 total cpu time spent up to now is 774.8 secs Computing kpt #: 359 total cpu time spent up to now is 776.9 secs Computing kpt #: 360 total cpu time spent up to now is 779.0 secs Computing kpt #: 361 total cpu time spent up to now is 781.3 secs Computing kpt #: 362 total cpu time spent up to now is 783.4 secs Computing kpt #: 363 total cpu time spent up to now is 785.5 secs Computing kpt #: 364 total cpu time spent up to now is 787.6 secs ethr = 2.78E-11, avg # of iterations = 22.0 total cpu time spent up to now is 787.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4375 PWs) bands (ev): -26.9283 -26.9283 -26.9206 -26.9206 -15.3445 -15.3445 -15.3308 -15.3308 -10.6000 -10.6000 -10.5871 -10.5871 -10.3547 -10.3547 -10.3376 -10.3376 -10.3007 -10.3007 -10.2972 -10.2972 -3.2673 -3.2673 -2.8243 -2.8243 -1.4367 -1.4367 -1.3610 -1.3610 -1.3402 -1.3402 -1.1943 -1.1943 -0.8177 -0.8177 0.0347 0.0347 6.0546 6.0546 6.1381 6.1381 6.4550 6.4550 6.9658 6.9658 k = 0.0100 0.0030-0.0236 ( 4383 PWs) bands (ev): -26.9283 -26.9283 -26.9206 -26.9206 -15.3445 -15.3445 -15.3308 -15.3308 -10.6006 -10.5997 -10.5871 -10.5871 -10.3560 -10.3535 -10.3382 -10.3371 -10.3012 -10.3005 -10.2979 -10.2967 -3.2669 -3.2668 -2.8248 -2.8247 -1.4369 -1.4367 -1.3610 -1.3610 -1.3405 -1.3402 -1.1965 -1.1961 -0.8152 -0.8152 0.0344 0.0346 6.0538 6.0538 6.1383 6.1383 6.4563 6.4563 6.9652 6.9652 k = 0.0200 0.0059-0.0472 ( 4390 PWs) bands (ev): -26.9283 -26.9283 -26.9206 -26.9206 -15.3444 -15.3443 -15.3309 -15.3309 -10.6015 -10.5996 -10.5871 -10.5869 -10.3576 -10.3525 -10.3387 -10.3365 -10.3018 -10.3006 -10.2984 -10.2962 -3.2655 -3.2653 -2.8260 -2.8259 -1.4373 -1.4371 -1.3607 -1.3607 -1.3412 -1.3407 -1.2025 -1.2018 -0.8081 -0.8080 0.0338 0.0341 6.0513 6.0513 6.1389 6.1390 6.4600 6.4600 6.9633 6.9633 k = 0.0300 0.0089-0.0709 ( 4390 PWs) bands (ev): -26.9282 -26.9282 -26.9206 -26.9206 -15.3442 -15.3441 -15.3310 -15.3309 -10.6026 -10.5998 -10.5869 -10.5868 -10.3593 -10.3517 -10.3392 -10.3360 -10.3026 -10.3012 -10.2987 -10.2957 -3.2632 -3.2629 -2.8280 -2.8279 -1.4380 -1.4377 -1.3604 -1.3603 -1.3423 -1.3415 -1.2117 -1.2108 -0.7966 -0.7966 0.0327 0.0332 6.0472 6.0472 6.1400 6.1401 6.4661 6.4662 6.9601 6.9602 k = 0.0400 0.0118-0.0945 ( 4394 PWs) bands (ev): -26.9281 -26.9281 -26.9206 -26.9206 -15.3440 -15.3439 -15.3311 -15.3310 -10.6040 -10.6003 -10.5868 -10.5866 -10.3611 -10.3513 -10.3397 -10.3356 -10.3035 -10.3021 -10.2989 -10.2955 -3.2599 -3.2596 -2.8308 -2.8306 -1.4390 -1.4385 -1.3599 -1.3598 -1.3439 -1.3428 -1.2236 -1.2223 -0.7816 -0.7816 0.0314 0.0320 6.0414 6.0415 6.1415 6.1416 6.4746 6.4747 6.9557 6.9557 k = 0.0500 0.0148-0.1181 ( 4392 PWs) bands (ev): -26.9280 -26.9280 -26.9206 -26.9206 -15.3436 -15.3435 -15.3313 -15.3312 -10.6055 -10.6010 -10.5866 -10.5864 -10.3630 -10.3511 -10.3400 -10.3352 -10.3046 -10.3033 -10.2991 -10.2953 -3.2559 -3.2555 -2.8343 -2.8341 -1.4402 -1.4396 -1.3593 -1.3591 -1.3461 -1.3446 -1.2373 -1.2355 -0.7637 -0.7637 0.0296 0.0304 6.0341 6.0342 6.1435 6.1436 6.4854 6.4855 6.9499 6.9500 k = 0.0600 0.0178-0.1417 ( 4397 PWs) bands (ev): -26.9278 -26.9278 -26.9206 -26.9206 -15.3433 -15.3431 -15.3315 -15.3313 -10.6072 -10.6018 -10.5865 -10.5862 -10.3650 -10.3513 -10.3402 -10.3349 -10.3057 -10.3046 -10.2994 -10.2952 -3.2509 -3.2505 -2.8385 -2.8382 -1.4417 -1.4410 -1.3587 -1.3584 -1.3489 -1.3472 -1.2518 -1.2496 -0.7436 -0.7435 0.0276 0.0285 6.0251 6.0252 6.1459 6.1461 6.4983 6.4985 6.9429 6.9430 k = 0.0700 0.0207-0.1653 ( 4399 PWs) bands (ev): -26.9277 -26.9277 -26.9205 -26.9205 -15.3428 -15.3426 -15.3317 -15.3315 -10.6089 -10.6028 -10.5865 -10.5861 -10.3671 -10.3517 -10.3404 -10.3347 -10.3070 -10.3061 -10.2998 -10.2953 -3.2453 -3.2448 -2.8433 -2.8430 -1.4434 -1.4427 -1.3587 -1.3578 -1.3521 -1.3505 -1.2666 -1.2638 -0.7217 -0.7217 0.0251 0.0262 6.0146 6.0147 6.1489 6.1490 6.5132 6.5134 6.9347 6.9348 k = 0.0800 0.0237-0.1890 ( 4393 PWs) bands (ev): -26.9274 -26.9274 -26.9204 -26.9204 -15.3423 -15.3421 -15.3319 -15.3317 -10.6108 -10.6040 -10.5865 -10.5860 -10.3692 -10.3525 -10.3405 -10.3345 -10.3083 -10.3075 -10.3003 -10.2955 -3.2389 -3.2383 -2.8487 -2.8483 -1.4454 -1.4446 -1.3612 -1.3586 -1.3540 -1.3537 -1.2805 -1.2773 -0.6986 -0.6986 0.0225 0.0237 6.0025 6.0026 6.1523 6.1524 6.5299 6.5301 6.9253 6.9254 k = 0.0900 0.0266-0.2126 ( 4386 PWs) bands (ev): -26.9272 -26.9272 -26.9204 -26.9204 -15.3417 -15.3415 -15.3321 -15.3319 -10.6128 -10.6052 -10.5867 -10.5861 -10.3714 -10.3534 -10.3407 -10.3345 -10.3097 -10.3091 -10.3009 -10.2957 -3.2319 -3.2313 -2.8545 -2.8542 -1.4477 -1.4468 -1.3676 -1.3640 -1.3540 -1.3538 -1.2930 -1.2893 -0.6747 -0.6747 0.0195 0.0209 5.9889 5.9890 6.1562 6.1564 6.5482 6.5484 6.9148 6.9149 k = 0.1000 0.0296-0.2362 ( 4384 PWs) bands (ev): -26.9269 -26.9269 -26.9203 -26.9203 -15.3411 -15.3409 -15.3323 -15.3321 -10.6147 -10.6066 -10.5869 -10.5862 -10.3736 -10.3545 -10.3410 -10.3346 -10.3112 -10.3106 -10.3017 -10.2961 -3.2243 -3.2236 -2.8608 -2.8605 -1.4503 -1.4493 -1.3766 -1.3728 -1.3530 -1.3529 -1.3033 -1.2995 -0.6502 -0.6502 0.0163 0.0178 5.9738 5.9740 6.1607 6.1609 6.5679 6.5681 6.9033 6.9034 k = 0.1100 0.0325-0.2598 ( 4392 PWs) bands (ev): -26.9267 -26.9267 -26.9202 -26.9202 -15.3405 -15.3402 -15.3325 -15.3323 -10.6168 -10.6081 -10.5873 -10.5864 -10.3758 -10.3558 -10.3414 -10.3348 -10.3128 -10.3121 -10.3025 -10.2966 -3.2163 -3.2156 -2.8675 -2.8671 -1.4532 -1.4522 -1.3876 -1.3839 -1.3519 -1.3518 -1.3114 -1.3076 -0.6254 -0.6254 0.0129 0.0145 5.9573 5.9575 6.1657 6.1659 6.5887 6.5890 6.8910 6.8912 k = 0.1200 0.0355-0.2834 ( 4388 PWs) bands (ev): -26.9263 -26.9263 -26.9201 -26.9201 -15.3399 -15.3396 -15.3327 -15.3325 -10.6188 -10.6097 -10.5878 -10.5867 -10.3780 -10.3572 -10.3419 -10.3351 -10.3144 -10.3136 -10.3035 -10.2972 -3.2079 -3.2071 -2.8744 -2.8740 -1.4563 -1.4553 -1.4000 -1.3967 -1.3506 -1.3505 -1.3175 -1.3139 -0.6004 -0.6004 0.0093 0.0110 5.9395 5.9398 6.1713 6.1714 6.6106 6.6109 6.8782 6.8784 k = 0.1300 0.0385-0.3071 ( 4386 PWs) bands (ev): -26.9260 -26.9260 -26.9200 -26.9200 -15.3392 -15.3389 -15.3329 -15.3326 -10.6209 -10.6113 -10.5885 -10.5872 -10.3802 -10.3587 -10.3427 -10.3356 -10.3160 -10.3150 -10.3046 -10.2980 -3.1991 -3.1983 -2.8816 -2.8811 -1.4599 -1.4589 -1.4133 -1.4103 -1.3493 -1.3493 -1.3221 -1.3188 -0.5755 -0.5755 0.0056 0.0074 5.9205 5.9208 6.1775 6.1776 6.6333 6.6336 6.8650 6.8652 k = 0.1400 0.0414-0.3307 ( 4382 PWs) bands (ev): -26.9257 -26.9257 -26.9200 -26.9200 -15.3386 -15.3382 -15.3331 -15.3328 -10.6229 -10.6130 -10.5892 -10.5878 -10.3823 -10.3604 -10.3437 -10.3362 -10.3177 -10.3163 -10.3057 -10.2988 -3.1902 -3.1894 -2.8888 -2.8883 -1.4639 -1.4628 -1.4270 -1.4244 -1.3481 -1.3480 -1.3257 -1.3227 -0.5507 -0.5506 0.0018 0.0037 5.9004 5.9007 6.1843 6.1843 6.6565 6.6569 6.8516 6.8519 k = 0.1500 0.0444-0.3543 ( 4380 PWs) bands (ev): -26.9253 -26.9253 -26.9198 -26.9198 -15.3379 -15.3375 -15.3332 -15.3329 -10.6248 -10.6148 -10.5901 -10.5885 -10.3844 -10.3621 -10.3450 -10.3370 -10.3194 -10.3175 -10.3070 -10.2997 -3.1811 -3.1803 -2.8960 -2.8955 -1.4682 -1.4672 -1.4407 -1.4384 -1.3469 -1.3467 -1.3286 -1.3258 -0.5261 -0.5261 -0.0021 -0.0001 5.8792 5.8795 6.1917 6.1917 6.6801 6.6805 6.8385 6.8388 k = 0.1600 0.0473-0.3779 ( 4374 PWs) bands (ev): -26.9249 -26.9249 -26.9197 -26.9197 -15.3372 -15.3369 -15.3333 -15.3329 -10.6267 -10.6166 -10.5911 -10.5894 -10.3863 -10.3638 -10.3464 -10.3380 -10.3210 -10.3187 -10.3084 -10.3007 -3.1720 -3.1711 -2.9031 -2.9027 -1.4731 -1.4721 -1.4539 -1.4519 -1.3457 -1.3455 -1.3310 -1.3285 -0.5019 -0.5018 -0.0059 -0.0038 5.8571 5.8574 6.1997 6.1998 6.7039 6.7042 6.8258 6.8262 k = 0.1700 0.0503-0.4015 ( 4377 PWs) bands (ev): -26.9245 -26.9245 -26.9196 -26.9196 -15.3366 -15.3362 -15.3333 -15.3329 -10.6285 -10.6184 -10.5922 -10.5904 -10.3882 -10.3657 -10.3481 -10.3392 -10.3227 -10.3197 -10.3099 -10.3018 -3.1629 -3.1621 -2.9101 -2.9097 -1.4786 -1.4776 -1.4665 -1.4648 -1.3447 -1.3445 -1.3331 -1.3307 -0.4781 -0.4780 -0.0097 -0.0076 5.8341 5.8345 6.2084 6.2086 6.7275 6.7279 6.8139 6.8143 k = 0.1800 0.0533-0.4252 ( 4379 PWs) bands (ev): -26.9241 -26.9241 -26.9195 -26.9195 -15.3360 -15.3356 -15.3333 -15.3329 -10.6302 -10.6204 -10.5934 -10.5916 -10.3899 -10.3676 -10.3499 -10.3406 -10.3244 -10.3206 -10.3114 -10.3030 -3.1540 -3.1531 -2.9168 -2.9164 -1.4851 -1.4840 -1.4779 -1.4765 -1.3439 -1.3437 -1.3348 -1.3326 -0.4548 -0.4547 -0.0134 -0.0112 5.8105 5.8109 6.2178 6.2180 6.7510 6.7514 6.8029 6.8035 k = 0.1900 0.0562-0.4488 ( 4379 PWs) bands (ev): -26.9237 -26.9237 -26.9194 -26.9194 -15.3355 -15.3351 -15.3332 -15.3328 -10.6318 -10.6223 -10.5947 -10.5930 -10.3914 -10.3696 -10.3519 -10.3423 -10.3261 -10.3216 -10.3130 -10.3043 -3.1452 -3.1443 -2.9233 -2.9229 -1.4934 -1.4922 -1.4874 -1.4863 -1.3433 -1.3431 -1.3360 -1.3342 -0.4320 -0.4319 -0.0169 -0.0147 5.7863 5.7868 6.2280 6.2283 6.7740 6.7744 6.7932 6.7939 k = 0.2000 0.0592-0.4724 ( 4378 PWs) bands (ev): -26.9232 -26.9232 -26.9193 -26.9193 -15.3350 -15.3345 -15.3330 -15.3327 -10.6332 -10.6243 -10.5961 -10.5945 -10.3929 -10.3717 -10.3540 -10.3442 -10.3277 -10.3225 -10.3146 -10.3056 -3.1367 -3.1358 -2.9293 -2.9289 -1.5030 -1.5019 -1.4954 -1.4943 -1.3431 -1.3431 -1.3368 -1.3352 -0.4098 -0.4096 -0.0203 -0.0180 5.7617 5.7621 6.2390 6.2394 6.7848 6.7855 6.7965 6.7969 k = 0.2100 0.0621-0.4960 ( 4370 PWs) bands (ev): -26.9228 -26.9228 -26.9192 -26.9192 -15.3345 -15.3341 -15.3328 -15.3324 -10.6345 -10.6263 -10.5975 -10.5962 -10.3941 -10.3739 -10.3561 -10.3463 -10.3294 -10.3234 -10.3161 -10.3069 -3.1285 -3.1276 -2.9349 -2.9346 -1.5125 -1.5115 -1.5032 -1.5022 -1.3435 -1.3432 -1.3370 -1.3358 -0.3882 -0.3880 -0.0233 -0.0211 5.7368 5.7372 6.2508 6.2513 6.7782 6.7790 6.8182 6.8186 k = 0.2200 0.0651-0.5196 ( 4376 PWs) bands (ev): -26.9223 -26.9223 -26.9190 -26.9190 -15.3341 -15.3337 -15.3325 -15.3321 -10.6356 -10.6284 -10.5989 -10.5980 -10.3952 -10.3763 -10.3583 -10.3486 -10.3311 -10.3244 -10.3177 -10.3083 -3.1206 -3.1198 -2.9401 -2.9397 -1.5213 -1.5206 -1.5114 -1.5104 -1.3444 -1.3439 -1.3367 -1.3360 -0.3672 -0.3670 -0.0261 -0.0239 5.7116 5.7120 6.2636 6.2642 6.7732 6.7741 6.8390 6.8394 k = 0.2300 0.0680-0.5433 ( 4377 PWs) bands (ev): -26.9219 -26.9219 -26.9189 -26.9189 -15.3338 -15.3333 -15.3322 -15.3318 -10.6366 -10.6305 -10.6004 -10.6000 -10.3961 -10.3787 -10.3604 -10.3512 -10.3327 -10.3256 -10.3191 -10.3097 -3.1132 -3.1124 -2.9447 -2.9444 -1.5294 -1.5288 -1.5201 -1.5192 -1.3455 -1.3448 -1.3363 -1.3359 -0.3469 -0.3466 -0.0286 -0.0264 5.6863 5.6868 6.2773 6.2780 6.7700 6.7710 6.8588 6.8592 k = 0.2400 0.0710-0.5669 ( 4375 PWs) bands (ev): -26.9214 -26.9214 -26.9188 -26.9188 -15.3335 -15.3331 -15.3318 -15.3314 -10.6374 -10.6327 -10.6022 -10.6019 -10.3968 -10.3814 -10.3624 -10.3539 -10.3344 -10.3269 -10.3204 -10.3111 -3.1062 -3.1054 -2.9488 -2.9485 -1.5368 -1.5364 -1.5294 -1.5284 -1.3466 -1.3458 -1.3359 -1.3356 -0.3273 -0.3270 -0.0307 -0.0285 5.6611 5.6615 6.2921 6.2930 6.7686 6.7697 6.8774 6.8779 k = 0.2500 0.0740-0.5905 ( 4375 PWs) bands (ev): -26.9210 -26.9210 -26.9187 -26.9187 -15.3333 -15.3328 -15.3313 -15.3309 -10.6380 -10.6349 -10.6045 -10.6033 -10.3973 -10.3841 -10.3642 -10.3569 -10.3362 -10.3284 -10.3215 -10.3124 -3.0997 -3.0989 -2.9523 -2.9520 -1.5438 -1.5436 -1.5388 -1.5377 -1.3478 -1.3469 -1.3354 -1.3352 -0.3084 -0.3081 -0.0324 -0.0303 5.6359 5.6364 6.3081 6.3090 6.7690 6.7702 6.8948 6.8952 k = 0.2600 0.0769-0.6141 ( 4375 PWs) bands (ev): -26.9205 -26.9205 -26.9185 -26.9185 -15.3331 -15.3327 -15.3307 -15.3303 -10.6385 -10.6372 -10.6070 -10.6046 -10.3976 -10.3871 -10.3660 -10.3600 -10.3380 -10.3300 -10.3224 -10.3137 -3.0936 -3.0929 -2.9552 -2.9550 -1.5521 -1.5519 -1.5466 -1.5458 -1.3489 -1.3481 -1.3350 -1.3348 -0.2902 -0.2899 -0.0337 -0.0316 5.6110 5.6115 6.3252 6.3262 6.7711 6.7724 6.9107 6.9112 k = 0.2700 0.0799-0.6377 ( 4370 PWs) bands (ev): -26.9200 -26.9200 -26.9184 -26.9184 -15.3331 -15.3326 -15.3301 -15.3297 -10.6396 -10.6388 -10.6096 -10.6059 -10.3977 -10.3902 -10.3675 -10.3633 -10.3397 -10.3317 -10.3233 -10.3150 -3.0881 -3.0874 -2.9576 -2.9574 -1.5628 -1.5624 -1.5520 -1.5514 -1.3500 -1.3492 -1.3346 -1.3345 -0.2728 -0.2724 -0.0346 -0.0326 5.5865 5.5869 6.3435 6.3446 6.7749 6.7762 6.9252 6.9256 k = 0.2800 0.0828-0.6614 ( 4376 PWs) bands (ev): -26.9196 -26.9196 -26.9183 -26.9183 -15.3331 -15.3326 -15.3294 -15.3290 -10.6420 -10.6391 -10.6123 -10.6071 -10.3977 -10.3934 -10.3689 -10.3667 -10.3416 -10.3335 -10.3240 -10.3162 -3.0831 -3.0824 -2.9593 -2.9592 -1.5745 -1.5740 -1.5560 -1.5556 -1.3511 -1.3503 -1.3343 -1.3342 -0.2561 -0.2557 -0.0351 -0.0331 5.5623 5.5628 6.3630 6.3642 6.7802 6.7816 6.9381 6.9385 k = 0.2900 0.0858-0.6850 ( 4366 PWs) bands (ev): -26.9191 -26.9191 -26.9181 -26.9181 -15.3331 -15.3327 -15.3287 -15.3283 -10.6445 -10.6392 -10.6151 -10.6082 -10.3975 -10.3967 -10.3701 -10.3701 -10.3434 -10.3353 -10.3247 -10.3174 -3.0786 -3.0779 -2.9606 -2.9604 -1.5868 -1.5864 -1.5591 -1.5588 -1.3522 -1.3514 -1.3340 -1.3339 -0.2401 -0.2397 -0.0352 -0.0333 5.5387 5.5391 6.3838 6.3851 6.7869 6.7884 6.9493 6.9497 k = 0.3000 0.0888-0.7086 ( 4372 PWs) bands (ev): -26.9187 -26.9187 -26.9180 -26.9180 -15.3332 -15.3328 -15.3279 -15.3275 -10.6471 -10.6393 -10.6179 -10.6092 -10.4001 -10.3973 -10.3737 -10.3711 -10.3452 -10.3372 -10.3253 -10.3185 -3.0746 -3.0740 -2.9613 -2.9612 -1.5996 -1.5992 -1.5615 -1.5613 -1.3532 -1.3524 -1.3337 -1.3337 -0.2249 -0.2245 -0.0349 -0.0331 5.5156 5.5161 6.4057 6.4071 6.7949 6.7964 6.9587 6.9591 k = 0.3100 0.0917-0.7322 ( 4370 PWs) bands (ev): -26.9183 -26.9183 -26.9179 -26.9179 -15.3334 -15.3330 -15.3270 -15.3266 -10.6497 -10.6395 -10.6206 -10.6100 -10.4035 -10.3969 -10.3772 -10.3720 -10.3471 -10.3390 -10.3259 -10.3195 -3.0710 -3.0705 -2.9615 -2.9614 -1.6129 -1.6125 -1.5631 -1.5629 -1.3541 -1.3534 -1.3335 -1.3335 -0.2104 -0.2100 -0.0343 -0.0325 5.4932 5.4937 6.4288 6.4302 6.8041 6.8056 6.9663 6.9667 k = 0.3200 0.0947-0.7558 ( 4375 PWs) bands (ev): -26.9179 -26.9179 -26.9178 -26.9178 -15.3336 -15.3333 -15.3261 -15.3258 -10.6524 -10.6398 -10.6231 -10.6107 -10.4069 -10.3966 -10.3805 -10.3727 -10.3489 -10.3408 -10.3265 -10.3205 -3.0680 -3.0675 -2.9613 -2.9612 -1.6264 -1.6261 -1.5640 -1.5640 -1.3551 -1.3544 -1.3333 -1.3333 -0.1968 -0.1964 -0.0333 -0.0317 5.4716 5.4720 6.4529 6.4542 6.8143 6.8158 6.9721 6.9725 k = 0.3300 0.0976-0.7795 ( 4380 PWs) bands (ev): -26.9176 -26.9176 -26.9175 -26.9175 -15.3339 -15.3336 -15.3252 -15.3248 -10.6552 -10.6406 -10.6252 -10.6114 -10.4102 -10.3967 -10.3834 -10.3733 -10.3507 -10.3425 -10.3270 -10.3215 -3.0654 -3.0649 -2.9607 -2.9606 -1.6402 -1.6399 -1.5644 -1.5643 -1.3560 -1.3553 -1.3332 -1.3332 -0.1838 -0.1834 -0.0320 -0.0305 5.4507 5.4512 6.4777 6.4791 6.8253 6.8267 6.9762 6.9766 k = 0.3400 0.1006-0.8031 ( 4373 PWs) bands (ev): -26.9175 -26.9175 -26.9171 -26.9171 -15.3342 -15.3339 -15.3243 -15.3239 -10.6579 -10.6419 -10.6267 -10.6119 -10.4135 -10.3974 -10.3855 -10.3738 -10.3524 -10.3442 -10.3275 -10.3223 -3.0632 -3.0627 -2.9597 -2.9597 -1.6540 -1.6538 -1.5641 -1.5641 -1.3568 -1.3562 -1.3330 -1.3330 -0.1717 -0.1713 -0.0305 -0.0291 5.4308 5.4312 6.5032 6.5046 6.8370 6.8384 6.9785 6.9789 k = 0.3500 0.1035-0.8267 ( 4375 PWs) bands (ev): -26.9174 -26.9174 -26.9167 -26.9167 -15.3346 -15.3343 -15.3233 -15.3230 -10.6606 -10.6439 -10.6275 -10.6123 -10.4167 -10.3991 -10.3864 -10.3741 -10.3541 -10.3458 -10.3279 -10.3232 -3.0614 -3.0610 -2.9584 -2.9584 -1.6678 -1.6676 -1.5634 -1.5633 -1.3576 -1.3570 -1.3329 -1.3329 -0.1603 -0.1599 -0.0288 -0.0275 5.4117 5.4121 6.5291 6.5304 6.8494 6.8507 6.9792 6.9795 k = 0.3600 0.1065-0.8503 ( 4387 PWs) bands (ev): -26.9173 -26.9173 -26.9164 -26.9164 -15.3350 -15.3347 -15.3224 -15.3220 -10.6633 -10.6464 -10.6277 -10.6127 -10.4197 -10.4018 -10.3863 -10.3744 -10.3558 -10.3473 -10.3284 -10.3239 -3.0600 -3.0596 -2.9569 -2.9569 -1.6815 -1.6813 -1.5622 -1.5621 -1.3584 -1.3578 -1.3329 -1.3328 -0.1496 -0.1492 -0.0269 -0.0257 5.3937 5.3941 6.5550 6.5562 6.8623 6.8635 6.9783 6.9786 k = 0.3700 0.1095-0.8739 ( 4393 PWs) bands (ev): -26.9172 -26.9172 -26.9160 -26.9160 -15.3354 -15.3351 -15.3214 -15.3211 -10.6660 -10.6493 -10.6274 -10.6129 -10.4226 -10.4049 -10.3855 -10.3746 -10.3573 -10.3488 -10.3288 -10.3247 -3.0589 -3.0585 -2.9552 -2.9552 -1.6948 -1.6947 -1.5607 -1.5606 -1.3591 -1.3586 -1.3328 -1.3328 -0.1398 -0.1394 -0.0250 -0.0238 5.3767 5.3770 6.5808 6.5818 6.8756 6.8767 6.9760 6.9763 k = 0.3800 0.1124-0.8976 ( 4398 PWs) bands (ev): -26.9171 -26.9171 -26.9157 -26.9157 -15.3358 -15.3355 -15.3205 -15.3202 -10.6685 -10.6525 -10.6268 -10.6132 -10.4252 -10.4083 -10.3844 -10.3747 -10.3588 -10.3502 -10.3291 -10.3254 -3.0580 -3.0577 -2.9534 -2.9534 -1.7078 -1.7077 -1.5588 -1.5587 -1.3598 -1.3593 -1.3327 -1.3327 -0.1306 -0.1303 -0.0229 -0.0218 5.3607 5.3611 6.6059 6.6068 6.8893 6.8902 6.9725 6.9728 k = 0.3900 0.1154-0.9212 ( 4390 PWs) bands (ev): -26.9170 -26.9170 -26.9154 -26.9154 -15.3362 -15.3360 -15.3196 -15.3193 -10.6709 -10.6557 -10.6261 -10.6134 -10.4277 -10.4116 -10.3830 -10.3748 -10.3602 -10.3515 -10.3294 -10.3260 -3.0574 -3.0572 -2.9515 -2.9514 -1.7202 -1.7202 -1.5567 -1.5566 -1.3605 -1.3600 -1.3327 -1.3327 -0.1222 -0.1219 -0.0208 -0.0198 5.3459 5.3463 6.6300 6.6309 6.9032 6.9040 6.9680 6.9683 k = 0.4000 0.1183-0.9448 ( 4390 PWs) bands (ev): -26.9169 -26.9169 -26.9151 -26.9151 -15.3366 -15.3364 -15.3187 -15.3184 -10.6732 -10.6590 -10.6252 -10.6136 -10.4299 -10.4149 -10.3815 -10.3748 -10.3616 -10.3528 -10.3297 -10.3266 -3.0571 -3.0568 -2.9495 -2.9495 -1.7321 -1.7320 -1.5545 -1.5543 -1.3611 -1.3606 -1.3326 -1.3326 -0.1146 -0.1143 -0.0188 -0.0179 5.3323 5.3326 6.6529 6.6536 6.9173 6.9179 6.9627 6.9630 k = 0.4100 0.1213-0.9684 ( 4390 PWs) bands (ev): -26.9168 -26.9168 -26.9149 -26.9149 -15.3370 -15.3368 -15.3179 -15.3176 -10.6752 -10.6622 -10.6243 -10.6137 -10.4318 -10.4180 -10.3800 -10.3748 -10.3628 -10.3540 -10.3299 -10.3271 -3.0568 -3.0566 -2.9476 -2.9476 -1.7431 -1.7430 -1.5521 -1.5520 -1.3616 -1.3612 -1.3326 -1.3326 -0.1077 -0.1074 -0.0168 -0.0160 5.3199 5.3201 6.6741 6.6747 6.9314 6.9319 6.9569 6.9571 k = 0.4200 0.1243-0.9920 ( 4387 PWs) bands (ev): -26.9168 -26.9168 -26.9147 -26.9147 -15.3374 -15.3372 -15.3171 -15.3169 -10.6770 -10.6653 -10.6233 -10.6139 -10.4335 -10.4210 -10.3784 -10.3747 -10.3639 -10.3551 -10.3301 -10.3276 -3.0568 -3.0566 -2.9458 -2.9457 -1.7533 -1.7532 -1.5498 -1.5497 -1.3621 -1.3618 -1.3326 -1.3326 -0.1016 -0.1013 -0.0149 -0.0142 5.3086 5.3089 6.6934 6.6939 6.9453 6.9456 6.9509 6.9511 k = 0.4300 0.1272-1.0157 ( 4395 PWs) bands (ev): -26.9167 -26.9167 -26.9145 -26.9145 -15.3378 -15.3376 -15.3164 -15.3162 -10.6787 -10.6682 -10.6224 -10.6141 -10.4349 -10.4238 -10.3770 -10.3746 -10.3648 -10.3562 -10.3303 -10.3280 -3.0568 -3.0566 -2.9440 -2.9440 -1.7625 -1.7625 -1.5476 -1.5474 -1.3626 -1.3623 -1.3326 -1.3325 -0.0962 -0.0959 -0.0131 -0.0125 5.2987 5.2989 6.7106 6.7109 6.9448 6.9449 6.9587 6.9589 k = 0.4400 0.1302-1.0393 ( 4393 PWs) bands (ev): -26.9167 -26.9167 -26.9143 -26.9143 -15.3381 -15.3379 -15.3157 -15.3156 -10.6800 -10.6709 -10.6214 -10.6144 -10.4360 -10.4264 -10.3756 -10.3744 -10.3656 -10.3573 -10.3304 -10.3285 -3.0569 -3.0567 -2.9424 -2.9424 -1.7707 -1.7707 -1.5454 -1.5453 -1.3630 -1.3627 -1.3326 -1.3325 -0.0915 -0.0912 -0.0115 -0.0110 5.2900 5.2902 6.7255 6.7257 6.9389 6.9391 6.9714 6.9715 k = 0.4500 0.1331-1.0629 ( 4392 PWs) bands (ev): -26.9166 -26.9166 -26.9141 -26.9141 -15.3384 -15.3382 -15.3152 -15.3151 -10.6810 -10.6734 -10.6205 -10.6146 -10.4368 -10.4287 -10.3744 -10.3743 -10.3661 -10.3584 -10.3304 -10.3288 -3.0570 -3.0569 -2.9410 -2.9410 -1.7777 -1.7777 -1.5435 -1.5434 -1.3633 -1.3631 -1.3325 -1.3325 -0.0875 -0.0873 -0.0101 -0.0097 5.2827 5.2828 6.7381 6.7382 6.9335 6.9336 6.9829 6.9830 k = 0.4600 0.1361-1.0865 ( 4389 PWs) bands (ev): -26.9166 -26.9166 -26.9140 -26.9140 -15.3386 -15.3385 -15.3147 -15.3146 -10.6818 -10.6756 -10.6197 -10.6149 -10.4374 -10.4308 -10.3741 -10.3735 -10.3663 -10.3594 -10.3305 -10.3292 -3.0571 -3.0570 -2.9399 -2.9398 -1.7836 -1.7836 -1.5418 -1.5418 -1.3636 -1.3634 -1.3325 -1.3325 -0.0843 -0.0841 -0.0089 -0.0086 5.2766 5.2768 6.7483 6.7484 6.9288 6.9289 6.9930 6.9930 k = 0.4700 0.1390-1.1101 ( 4388 PWs) bands (ev): -26.9165 -26.9165 -26.9139 -26.9139 -15.3388 -15.3387 -15.3144 -15.3143 -10.6822 -10.6775 -10.6189 -10.6153 -10.4376 -10.4326 -10.3739 -10.3730 -10.3661 -10.3605 -10.3304 -10.3295 -3.0573 -3.0572 -2.9389 -2.9389 -1.7882 -1.7882 -1.5405 -1.5404 -1.3638 -1.3637 -1.3325 -1.3325 -0.0817 -0.0816 -0.0079 -0.0077 5.2719 5.2720 6.7562 6.7562 6.9250 6.9250 7.0012 7.0013 k = 0.4800 0.1420-1.1338 ( 4394 PWs) bands (ev): -26.9165 -26.9165 -26.9138 -26.9138 -15.3389 -15.3389 -15.3141 -15.3140 -10.6823 -10.6791 -10.6181 -10.6158 -10.4375 -10.4342 -10.3736 -10.3728 -10.3655 -10.3616 -10.3304 -10.3297 -3.0574 -3.0573 -2.9382 -2.9382 -1.7916 -1.7916 -1.5395 -1.5395 -1.3640 -1.3639 -1.3325 -1.3325 -0.0799 -0.0799 -0.0072 -0.0071 5.2685 5.2686 6.7618 6.7618 6.9221 6.9221 7.0074 7.0074 k = 0.4900 0.1450-1.1574 ( 4395 PWs) bands (ev): -26.9165 -26.9165 -26.9138 -26.9138 -15.3390 -15.3390 -15.3139 -15.3139 -10.6820 -10.6804 -10.6174 -10.6162 -10.4371 -10.4355 -10.3733 -10.3729 -10.3647 -10.3626 -10.3303 -10.3300 -3.0574 -3.0574 -2.9378 -2.9378 -1.7936 -1.7936 -1.5389 -1.5389 -1.3641 -1.3640 -1.3325 -1.3325 -0.0789 -0.0788 -0.0068 -0.0067 5.2665 5.2666 6.7651 6.7651 6.9203 6.9203 7.0112 7.0112 k = 0.5000 0.1479-1.1810 ( 4400 PWs) bands (ev): -26.9165 -26.9165 -26.9138 -26.9138 -15.3390 -15.3390 -15.3139 -15.3139 -10.6814 -10.6814 -10.6168 -10.6168 -10.4365 -10.4365 -10.3731 -10.3731 -10.3637 -10.3637 -10.3301 -10.3301 -3.0575 -3.0575 -2.9377 -2.9377 -1.7943 -1.7943 -1.5387 -1.5387 -1.3641 -1.3641 -1.3325 -1.3325 -0.0785 -0.0785 -0.0066 -0.0066 5.2659 5.2659 6.7662 6.7662 6.9197 6.9197 7.0125 7.0125 k = 0.5000 0.1479-1.1810 ( 4400 PWs) bands (ev): -26.9165 -26.9165 -26.9138 -26.9138 -15.3390 -15.3390 -15.3139 -15.3139 -10.6814 -10.6814 -10.6168 -10.6168 -10.4365 -10.4365 -10.3731 -10.3731 -10.3637 -10.3637 -10.3301 -10.3301 -3.0575 -3.0575 -2.9377 -2.9377 -1.7943 -1.7943 -1.5387 -1.5387 -1.3641 -1.3641 -1.3325 -1.3325 -0.0785 -0.0785 -0.0066 -0.0066 5.2659 5.2659 6.7662 6.7662 6.9197 6.9197 7.0125 7.0125 k = 0.4791 0.1417-1.1906 ( 4398 PWs) bands (ev): -26.9165 -26.9165 -26.9138 -26.9138 -15.3390 -15.3390 -15.3139 -15.3139 -10.6819 -10.6808 -10.6171 -10.6166 -10.4371 -10.4358 -10.3738 -10.3726 -10.3638 -10.3632 -10.3302 -10.3301 -3.0572 -3.0571 -2.9379 -2.9379 -1.7942 -1.7941 -1.5387 -1.5387 -1.3644 -1.3643 -1.3326 -1.3326 -0.0781 -0.0779 -0.0070 -0.0069 5.2675 5.2676 6.7646 6.7648 6.9191 6.9193 7.0112 7.0115 k = 0.4582 0.1356-1.2002 ( 4388 PWs) bands (ev): -26.9165 -26.9165 -26.9138 -26.9138 -15.3389 -15.3389 -15.3140 -15.3139 -10.6824 -10.6800 -10.6174 -10.6164 -10.4376 -10.4351 -10.3748 -10.3724 -10.3635 -10.3624 -10.3302 -10.3301 -3.0563 -3.0562 -2.9387 -2.9386 -1.7937 -1.7937 -1.5387 -1.5386 -1.3653 -1.3652 -1.3328 -1.3328 -0.0768 -0.0764 -0.0080 -0.0078 5.2725 5.2726 6.7599 6.7602 6.9175 6.9179 7.0079 7.0084 k = 0.4373 0.1294-1.2099 ( 4394 PWs) bands (ev): -26.9166 -26.9166 -26.9138 -26.9138 -15.3389 -15.3388 -15.3141 -15.3141 -10.6827 -10.6792 -10.6178 -10.6163 -10.4381 -10.4343 -10.3758 -10.3726 -10.3628 -10.3614 -10.3302 -10.3301 -3.0548 -3.0547 -2.9400 -2.9398 -1.7930 -1.7929 -1.5387 -1.5385 -1.3668 -1.3666 -1.3332 -1.3332 -0.0745 -0.0740 -0.0096 -0.0093 5.2809 5.2810 6.7518 6.7523 6.9150 6.9155 7.0029 7.0036 k = 0.4164 0.1232-1.2195 ( 4383 PWs) bands (ev): -26.9166 -26.9166 -26.9138 -26.9138 -15.3387 -15.3387 -15.3143 -15.3142 -10.6829 -10.6782 -10.6182 -10.6162 -10.4385 -10.4334 -10.3767 -10.3730 -10.3617 -10.3604 -10.3302 -10.3300 -3.0527 -3.0526 -2.9418 -2.9415 -1.7919 -1.7918 -1.5386 -1.5385 -1.3688 -1.3685 -1.3338 -1.3338 -0.0714 -0.0707 -0.0119 -0.0115 5.2925 5.2927 6.7399 6.7405 6.9114 6.9120 6.9969 6.9978 k = 0.3955 0.1170-1.2291 ( 4384 PWs) bands (ev): -26.9166 -26.9166 -26.9138 -26.9138 -15.3386 -15.3385 -15.3145 -15.3144 -10.6830 -10.6772 -10.6186 -10.6162 -10.4388 -10.4326 -10.3777 -10.3736 -10.3604 -10.3592 -10.3303 -10.3300 -3.0501 -3.0499 -2.9441 -2.9437 -1.7906 -1.7904 -1.5386 -1.5384 -1.3712 -1.3709 -1.3345 -1.3345 -0.0675 -0.0666 -0.0148 -0.0143 5.3074 5.3077 6.7237 6.7244 6.9068 6.9077 6.9906 6.9917 k = 0.3746 0.1108-1.2387 ( 4385 PWs) bands (ev): -26.9167 -26.9167 -26.9138 -26.9138 -15.3384 -15.3383 -15.3148 -15.3147 -10.6830 -10.6761 -10.6191 -10.6162 -10.4391 -10.4316 -10.3787 -10.3742 -10.3590 -10.3581 -10.3303 -10.3300 -3.0469 -3.0467 -2.9468 -2.9464 -1.7889 -1.7886 -1.5387 -1.5384 -1.3740 -1.3737 -1.3353 -1.3353 -0.0629 -0.0618 -0.0183 -0.0178 5.3255 5.3259 6.7029 6.7037 6.9013 6.9023 6.9847 6.9859 k = 0.3537 0.1046-1.2484 ( 4385 PWs) bands (ev): -26.9167 -26.9167 -26.9138 -26.9138 -15.3382 -15.3381 -15.3151 -15.3150 -10.6829 -10.6749 -10.6196 -10.6162 -10.4393 -10.4307 -10.3796 -10.3749 -10.3574 -10.3569 -10.3304 -10.3300 -3.0432 -3.0430 -2.9500 -2.9496 -1.7868 -1.7865 -1.5388 -1.5385 -1.3770 -1.3767 -1.3363 -1.3362 -0.0576 -0.0563 -0.0225 -0.0218 5.3468 5.3472 6.6773 6.6781 6.8949 6.8961 6.9797 6.9811 k = 0.3328 0.0985-1.2580 ( 4389 PWs) bands (ev): -26.9168 -26.9168 -26.9139 -26.9139 -15.3379 -15.3378 -15.3155 -15.3154 -10.6827 -10.6736 -10.6202 -10.6163 -10.4394 -10.4296 -10.3804 -10.3755 -10.3558 -10.3556 -10.3305 -10.3300 -3.0391 -3.0388 -2.9537 -2.9532 -1.7843 -1.7840 -1.5391 -1.5387 -1.3801 -1.3798 -1.3373 -1.3373 -0.0518 -0.0503 -0.0273 -0.0265 5.3711 5.3715 6.6470 6.6478 6.8877 6.8890 6.9760 6.9775 k = 0.3328 0.0985-1.2580 ( 4389 PWs) bands (ev): -26.9168 -26.9168 -26.9139 -26.9139 -15.3379 -15.3378 -15.3155 -15.3154 -10.6827 -10.6736 -10.6202 -10.6163 -10.4394 -10.4296 -10.3804 -10.3755 -10.3558 -10.3556 -10.3305 -10.3300 -3.0391 -3.0388 -2.9537 -2.9532 -1.7843 -1.7840 -1.5391 -1.5387 -1.3801 -1.3798 -1.3373 -1.3373 -0.0518 -0.0503 -0.0273 -0.0265 5.3711 5.3715 6.6470 6.6478 6.8877 6.8890 6.9760 6.9775 k = 0.3364 0.0995-1.2329 ( 4379 PWs) bands (ev): -26.9166 -26.9166 -26.9138 -26.9138 -15.3379 -15.3378 -15.3153 -15.3152 -10.6820 -10.6748 -10.6203 -10.6176 -10.4385 -10.4308 -10.3807 -10.3761 -10.3574 -10.3559 -10.3307 -10.3305 -3.0422 -3.0419 -2.9504 -2.9499 -1.7852 -1.7849 -1.5422 -1.5418 -1.3778 -1.3775 -1.3375 -1.3374 -0.0558 -0.0545 -0.0206 -0.0199 5.3594 5.3598 6.6542 6.6551 6.8974 6.8986 6.9817 6.9832 k = 0.3399 0.1006-1.2077 ( 4379 PWs) bands (ev): -26.9165 -26.9165 -26.9138 -26.9138 -15.3378 -15.3378 -15.3152 -15.3151 -10.6811 -10.6757 -10.6203 -10.6188 -10.4375 -10.4317 -10.3810 -10.3768 -10.3588 -10.3562 -10.3309 -10.3308 -3.0450 -3.0447 -2.9476 -2.9472 -1.7851 -1.7848 -1.5451 -1.5448 -1.3755 -1.3753 -1.3376 -1.3376 -0.0601 -0.0589 -0.0150 -0.0143 5.3492 5.3496 6.6608 6.6616 6.9070 6.9082 6.9847 6.9861 k = 0.3435 0.1016-1.1826 ( 4377 PWs) bands (ev): -26.9164 -26.9164 -26.9138 -26.9138 -15.3377 -15.3377 -15.3152 -15.3152 -10.6799 -10.6765 -10.6202 -10.6200 -10.4362 -10.4325 -10.3810 -10.3775 -10.3600 -10.3563 -10.3313 -10.3309 -3.0475 -3.0472 -2.9453 -2.9449 -1.7839 -1.7837 -1.5478 -1.5476 -1.3734 -1.3732 -1.3376 -1.3376 -0.0647 -0.0636 -0.0104 -0.0096 5.3407 5.3410 6.6664 6.6672 6.9164 6.9175 6.9849 6.9863 k = 0.3470 0.1027-1.1575 ( 4377 PWs) bands (ev): -26.9163 -26.9163 -26.9139 -26.9139 -15.3376 -15.3376 -15.3153 -15.3153 -10.6784 -10.6770 -10.6211 -10.6200 -10.4346 -10.4330 -10.3810 -10.3782 -10.3610 -10.3564 -10.3315 -10.3308 -3.0497 -3.0494 -2.9436 -2.9432 -1.7817 -1.7815 -1.5503 -1.5501 -1.3714 -1.3712 -1.3376 -1.3375 -0.0694 -0.0685 -0.0068 -0.0060 5.3338 5.3340 6.6711 6.6719 6.9255 6.9265 6.9826 6.9840 k = 0.3506 0.1037-1.1323 ( 4374 PWs) bands (ev): -26.9163 -26.9163 -26.9140 -26.9140 -15.3375 -15.3374 -15.3154 -15.3154 -10.6772 -10.6767 -10.6222 -10.6197 -10.4333 -10.4329 -10.3808 -10.3789 -10.3617 -10.3564 -10.3317 -10.3307 -3.0516 -3.0513 -2.9423 -2.9420 -1.7786 -1.7784 -1.5525 -1.5524 -1.3695 -1.3694 -1.3375 -1.3374 -0.0744 -0.0736 -0.0041 -0.0033 5.3286 5.3287 6.6745 6.6752 6.9341 6.9351 6.9780 6.9793 k = 0.3542 0.1048-1.1072 ( 4374 PWs) bands (ev): -26.9163 -26.9163 -26.9141 -26.9141 -15.3373 -15.3373 -15.3157 -15.3156 -10.6772 -10.6748 -10.6231 -10.6194 -10.4334 -10.4309 -10.3805 -10.3797 -10.3623 -10.3563 -10.3318 -10.3305 -3.0533 -3.0530 -2.9416 -2.9413 -1.7745 -1.7743 -1.5545 -1.5544 -1.3678 -1.3677 -1.3373 -1.3372 -0.0795 -0.0789 -0.0024 -0.0016 5.3250 5.3251 6.6765 6.6772 6.9421 6.9430 6.9714 6.9725 k = 0.3577 0.1058-1.0821 ( 4379 PWs) bands (ev): -26.9163 -26.9163 -26.9142 -26.9142 -15.3372 -15.3371 -15.3160 -15.3159 -10.6769 -10.6727 -10.6240 -10.6189 -10.4332 -10.4288 -10.3804 -10.3801 -10.3626 -10.3561 -10.3318 -10.3302 -3.0546 -3.0544 -2.9414 -2.9412 -1.7695 -1.7693 -1.5562 -1.5562 -1.3662 -1.3662 -1.3370 -1.3370 -0.0849 -0.0844 -0.0017 -0.0009 5.3230 5.3231 6.6768 6.6774 6.9494 6.9502 6.9632 6.9642 k = 0.3613 0.1069-1.0570 ( 4386 PWs) bands (ev): -26.9163 -26.9163 -26.9143 -26.9143 -15.3370 -15.3369 -15.3164 -15.3163 -10.6765 -10.6703 -10.6248 -10.6184 -10.4329 -10.4265 -10.3812 -10.3795 -10.3627 -10.3558 -10.3317 -10.3298 -3.0558 -3.0555 -2.9417 -2.9415 -1.7636 -1.7634 -1.5576 -1.5576 -1.3649 -1.3648 -1.3367 -1.3366 -0.0905 -0.0901 -0.0020 -0.0011 5.3227 5.3228 6.6752 6.6757 6.9536 6.9545 6.9560 6.9567 k = 0.3648 0.1079-1.0318 ( 4376 PWs) bands (ev): -26.9164 -26.9164 -26.9145 -26.9145 -15.3369 -15.3367 -15.3169 -15.3168 -10.6758 -10.6678 -10.6254 -10.6177 -10.4323 -10.4239 -10.3819 -10.3789 -10.3626 -10.3553 -10.3315 -10.3293 -3.0566 -3.0563 -2.9424 -2.9423 -1.7568 -1.7567 -1.5586 -1.5586 -1.3636 -1.3635 -1.3362 -1.3362 -0.0962 -0.0959 -0.0031 -0.0022 5.3241 5.3242 6.6714 6.6717 6.9436 6.9442 6.9614 6.9621 k = 0.3684 0.1090-1.0067 ( 4381 PWs) bands (ev): -26.9165 -26.9165 -26.9147 -26.9147 -15.3367 -15.3365 -15.3175 -15.3173 -10.6749 -10.6652 -10.6259 -10.6170 -10.4315 -10.4213 -10.3825 -10.3782 -10.3623 -10.3547 -10.3312 -10.3287 -3.0573 -3.0570 -2.9436 -2.9435 -1.7493 -1.7492 -1.5594 -1.5593 -1.3626 -1.3624 -1.3357 -1.3357 -0.1021 -0.1020 -0.0051 -0.0042 5.3272 5.3273 6.6652 6.6653 6.9332 6.9336 6.9659 6.9664 k = 0.3719 0.1100-0.9816 ( 4388 PWs) bands (ev): -26.9166 -26.9166 -26.9149 -26.9149 -15.3365 -15.3363 -15.3181 -15.3178 -10.6738 -10.6624 -10.6264 -10.6162 -10.4304 -10.4185 -10.3830 -10.3774 -10.3618 -10.3539 -10.3308 -10.3280 -3.0577 -3.0574 -2.9452 -2.9452 -1.7410 -1.7409 -1.5597 -1.5596 -1.3618 -1.3615 -1.3351 -1.3351 -0.1082 -0.1082 -0.0081 -0.0071 5.3318 5.3320 6.6563 6.6565 6.9229 6.9230 6.9691 6.9696 k = 0.3755 0.1111-0.9564 ( 4392 PWs) bands (ev): -26.9167 -26.9167 -26.9151 -26.9151 -15.3363 -15.3361 -15.3187 -15.3185 -10.6725 -10.6595 -10.6266 -10.6153 -10.4292 -10.4156 -10.3835 -10.3766 -10.3611 -10.3530 -10.3304 -10.3273 -3.0579 -3.0576 -2.9473 -2.9473 -1.7320 -1.7319 -1.5597 -1.5596 -1.3610 -1.3607 -1.3345 -1.3344 -0.1146 -0.1145 -0.0119 -0.0109 5.3382 5.3384 6.6447 6.6451 6.9128 6.9130 6.9712 6.9716 k = 0.3791 0.1121-0.9313 ( 4394 PWs) bands (ev): -26.9169 -26.9169 -26.9154 -26.9154 -15.3361 -15.3359 -15.3194 -15.3191 -10.6710 -10.6566 -10.6267 -10.6143 -10.4277 -10.4125 -10.3838 -10.3757 -10.3603 -10.3519 -10.3298 -10.3265 -3.0580 -3.0577 -2.9497 -2.9497 -1.7224 -1.7223 -1.5592 -1.5591 -1.3605 -1.3600 -1.3337 -1.3337 -0.1211 -0.1208 -0.0165 -0.0155 5.3461 5.3464 6.6306 6.6313 6.9031 6.9036 6.9720 6.9723 k = 0.3826 0.1132-0.9062 ( 4392 PWs) bands (ev): -26.9171 -26.9171 -26.9156 -26.9156 -15.3359 -15.3357 -15.3201 -15.3199 -10.6693 -10.6536 -10.6266 -10.6133 -10.4261 -10.4094 -10.3840 -10.3748 -10.3593 -10.3507 -10.3293 -10.3256 -3.0579 -3.0575 -2.9526 -2.9526 -1.7122 -1.7121 -1.5583 -1.5582 -1.3601 -1.3596 -1.3328 -1.3328 -0.1277 -0.1273 -0.0219 -0.0208 5.3556 5.3559 6.6142 6.6151 6.8939 6.8948 6.9714 6.9717 k = 0.3862 0.1142-0.8811 ( 4394 PWs) bands (ev): -26.9173 -26.9173 -26.9159 -26.9159 -15.3358 -15.3355 -15.3209 -15.3206 -10.6675 -10.6507 -10.6263 -10.6122 -10.4242 -10.4063 -10.3839 -10.3739 -10.3582 -10.3493 -10.3286 -10.3247 -3.0576 -3.0573 -2.9558 -2.9558 -1.7015 -1.7014 -1.5570 -1.5568 -1.3598 -1.3592 -1.3318 -1.3318 -0.1344 -0.1339 -0.0280 -0.0270 5.3666 5.3670 6.5959 6.5970 6.8852 6.8864 6.9695 6.9697 k = 0.3897 0.1153-0.8559 ( 4389 PWs) bands (ev): -26.9175 -26.9175 -26.9162 -26.9162 -15.3356 -15.3353 -15.3217 -15.3214 -10.6656 -10.6479 -10.6258 -10.6111 -10.4222 -10.4032 -10.3837 -10.3728 -10.3569 -10.3477 -10.3279 -10.3236 -3.0573 -3.0569 -2.9593 -2.9593 -1.6904 -1.6903 -1.5552 -1.5550 -1.3596 -1.3590 -1.3307 -1.3306 -0.1411 -0.1405 -0.0349 -0.0338 5.3792 5.3796 6.5760 6.5774 6.8769 6.8784 6.9663 6.9665 k = 0.3933 0.1163-0.8308 ( 4380 PWs) bands (ev): -26.9177 -26.9177 -26.9165 -26.9165 -15.3354 -15.3351 -15.3226 -15.3222 -10.6635 -10.6451 -10.6250 -10.6099 -10.4200 -10.4002 -10.3831 -10.3718 -10.3555 -10.3460 -10.3271 -10.3226 -3.0568 -3.0565 -2.9632 -2.9631 -1.6790 -1.6789 -1.5529 -1.5528 -1.3596 -1.3588 -1.3294 -1.3294 -0.1480 -0.1473 -0.0424 -0.0413 5.3932 5.3936 6.5550 6.5566 6.8687 6.8704 6.9619 6.9620 k = 0.3968 0.1174-0.8057 ( 4382 PWs) bands (ev): -26.9180 -26.9180 -26.9168 -26.9168 -15.3353 -15.3349 -15.3234 -15.3230 -10.6613 -10.6426 -10.6239 -10.6086 -10.4176 -10.3973 -10.3822 -10.3707 -10.3540 -10.3441 -10.3262 -10.3215 -3.0563 -3.0560 -2.9672 -2.9671 -1.6672 -1.6672 -1.5502 -1.5501 -1.3596 -1.3588 -1.3280 -1.3279 -0.1549 -0.1541 -0.0506 -0.0494 5.4085 5.4090 6.5333 6.5350 6.8604 6.8624 6.9562 6.9562 k = 0.4004 0.1185-0.7806 ( 4375 PWs) bands (ev): -26.9182 -26.9182 -26.9171 -26.9171 -15.3351 -15.3348 -15.3243 -15.3239 -10.6590 -10.6402 -10.6225 -10.6073 -10.4151 -10.3947 -10.3809 -10.3695 -10.3524 -10.3422 -10.3253 -10.3203 -3.0557 -3.0554 -2.9716 -2.9714 -1.6553 -1.6553 -1.5471 -1.5470 -1.3598 -1.3589 -1.3264 -1.3264 -0.1618 -0.1609 -0.0593 -0.0581 5.4252 5.4257 6.5112 6.5131 6.8518 6.8541 6.9493 6.9493 k = 0.4040 0.1195-0.7554 ( 4374 PWs) bands (ev): -26.9185 -26.9185 -26.9175 -26.9175 -15.3350 -15.3346 -15.3252 -15.3248 -10.6566 -10.6380 -10.6208 -10.6060 -10.4125 -10.3924 -10.3791 -10.3683 -10.3507 -10.3402 -10.3243 -10.3192 -3.0551 -3.0548 -2.9761 -2.9759 -1.6433 -1.6433 -1.5435 -1.5435 -1.3600 -1.3590 -1.3247 -1.3246 -0.1688 -0.1678 -0.0686 -0.0674 5.4431 5.4436 6.4892 6.4912 6.8429 6.8453 6.9414 6.9415 k = 0.4075 0.1206-0.7303 ( 4375 PWs) bands (ev): -26.9188 -26.9188 -26.9178 -26.9178 -15.3349 -15.3345 -15.3261 -15.3257 -10.6541 -10.6361 -10.6189 -10.6047 -10.4098 -10.3904 -10.3768 -10.3671 -10.3489 -10.3381 -10.3232 -10.3180 -3.0545 -3.0541 -2.9807 -2.9806 -1.6313 -1.6312 -1.5395 -1.5395 -1.3602 -1.3592 -1.3228 -1.3227 -0.1758 -0.1747 -0.0783 -0.0771 5.4623 5.4628 6.4674 6.4695 6.8336 6.8361 6.9325 6.9326 k = 0.4111 0.1216-0.7052 ( 4375 PWs) bands (ev): -26.9191 -26.9191 -26.9182 -26.9182 -15.3348 -15.3344 -15.3270 -15.3265 -10.6516 -10.6343 -10.6167 -10.6034 -10.4070 -10.3887 -10.3742 -10.3657 -10.3471 -10.3360 -10.3221 -10.3168 -3.0539 -3.0535 -2.9855 -2.9854 -1.6194 -1.6193 -1.5351 -1.5351 -1.3605 -1.3594 -1.3208 -1.3206 -0.1827 -0.1816 -0.0885 -0.0872 5.4825 5.4831 6.4462 6.4483 6.8237 6.8264 6.9228 6.9229 k = 0.4146 0.1227-0.6800 ( 4379 PWs) bands (ev): -26.9194 -26.9194 -26.9185 -26.9185 -15.3347 -15.3343 -15.3278 -15.3274 -10.6490 -10.6327 -10.6144 -10.6021 -10.4042 -10.3871 -10.3713 -10.3643 -10.3452 -10.3340 -10.3208 -10.3155 -3.0534 -3.0530 -2.9904 -2.9903 -1.6076 -1.6075 -1.5304 -1.5303 -1.3608 -1.3596 -1.3185 -1.3183 -0.1897 -0.1885 -0.0990 -0.0977 5.5038 5.5044 6.4256 6.4278 6.8133 6.8161 6.9124 6.9125 k = 0.4182 0.1237-0.6549 ( 4384 PWs) bands (ev): -26.9197 -26.9197 -26.9189 -26.9189 -15.3347 -15.3343 -15.3287 -15.3283 -10.6464 -10.6311 -10.6121 -10.6008 -10.4013 -10.3856 -10.3682 -10.3629 -10.3432 -10.3319 -10.3195 -10.3143 -3.0529 -3.0525 -2.9953 -2.9952 -1.5960 -1.5960 -1.5254 -1.5253 -1.3611 -1.3598 -1.3160 -1.3158 -0.1966 -0.1954 -0.1098 -0.1085 5.5260 5.5266 6.4060 6.4082 6.8024 6.8053 6.9014 6.9016 k = 0.4217 0.1248-0.6298 ( 4384 PWs) bands (ev): -26.9201 -26.9201 -26.9192 -26.9192 -15.3347 -15.3343 -15.3295 -15.3291 -10.6437 -10.6295 -10.6097 -10.5995 -10.3984 -10.3841 -10.3651 -10.3613 -10.3412 -10.3299 -10.3180 -10.3131 -3.0524 -3.0520 -3.0003 -3.0001 -1.5848 -1.5847 -1.5201 -1.5199 -1.3613 -1.3599 -1.3133 -1.3131 -0.2034 -0.2022 -0.1208 -0.1195 5.5492 5.5497 6.3873 6.3895 6.7911 6.7940 6.8900 6.8902 k = 0.4253 0.1258-0.6047 ( 4383 PWs) bands (ev): -26.9204 -26.9204 -26.9196 -26.9196 -15.3347 -15.3343 -15.3304 -15.3299 -10.6410 -10.6280 -10.6073 -10.5983 -10.3956 -10.3826 -10.3620 -10.3597 -10.3391 -10.3280 -10.3164 -10.3119 -3.0520 -3.0516 -3.0052 -3.0050 -1.5739 -1.5739 -1.5146 -1.5143 -1.3613 -1.3598 -1.3104 -1.3102 -0.2101 -0.2089 -0.1320 -0.1307 5.5731 5.5736 6.3697 6.3719 6.7794 6.7823 6.8782 6.8784 k = 0.4289 0.1269-0.5795 ( 4389 PWs) bands (ev): -26.9207 -26.9207 -26.9200 -26.9200 -15.3347 -15.3343 -15.3312 -15.3307 -10.6383 -10.6264 -10.6050 -10.5971 -10.3928 -10.3810 -10.3589 -10.3581 -10.3371 -10.3262 -10.3147 -10.3106 -3.0518 -3.0513 -3.0100 -3.0099 -1.5635 -1.5635 -1.5089 -1.5085 -1.3612 -1.3597 -1.3074 -1.3071 -0.2168 -0.2155 -0.1434 -0.1420 5.5977 5.5982 6.3531 6.3553 6.7675 6.7704 6.8662 6.8664 k = 0.4324 0.1279-0.5544 ( 4386 PWs) bands (ev): -26.9210 -26.9210 -26.9203 -26.9203 -15.3347 -15.3343 -15.3319 -15.3315 -10.6356 -10.6248 -10.6028 -10.5959 -10.3900 -10.3794 -10.3565 -10.3560 -10.3350 -10.3245 -10.3128 -10.3094 -3.0516 -3.0511 -3.0148 -3.0147 -1.5536 -1.5536 -1.5031 -1.5027 -1.3609 -1.3592 -1.3041 -1.3038 -0.2234 -0.2221 -0.1547 -0.1533 5.6229 5.6234 6.3377 6.3398 6.7555 6.7584 6.8541 6.8543 k = 0.4360 0.1290-0.5293 ( 4388 PWs) bands (ev): -26.9213 -26.9213 -26.9207 -26.9207 -15.3348 -15.3344 -15.3326 -15.3322 -10.6329 -10.6231 -10.6008 -10.5948 -10.3873 -10.3777 -10.3548 -10.3531 -10.3329 -10.3229 -10.3110 -10.3083 -3.0515 -3.0510 -3.0194 -3.0193 -1.5442 -1.5442 -1.4974 -1.4969 -1.3603 -1.3586 -1.3007 -1.3004 -0.2298 -0.2285 -0.1660 -0.1646 5.6486 5.6491 6.3232 6.3253 6.7435 6.7463 6.8420 6.8421 k = 0.4395 0.1300-0.5041 ( 4395 PWs) bands (ev): -26.9216 -26.9216 -26.9211 -26.9211 -15.3349 -15.3345 -15.3333 -15.3329 -10.6302 -10.6214 -10.5988 -10.5938 -10.3847 -10.3759 -10.3532 -10.3505 -10.3308 -10.3212 -10.3091 -10.3071 -3.0515 -3.0511 -3.0239 -3.0238 -1.5355 -1.5355 -1.4917 -1.4911 -1.3593 -1.3576 -1.2973 -1.2969 -0.2360 -0.2348 -0.1772 -0.1758 5.6747 5.6751 6.3098 6.3117 6.7317 6.7345 6.8300 6.8301 k = 0.4431 0.1311-0.4790 ( 4398 PWs) bands (ev): -26.9219 -26.9219 -26.9214 -26.9214 -15.3350 -15.3346 -15.3340 -15.3335 -10.6276 -10.6196 -10.5971 -10.5929 -10.3821 -10.3740 -10.3517 -10.3480 -10.3287 -10.3196 -10.3072 -10.3061 -3.0517 -3.0512 -3.0282 -3.0281 -1.5273 -1.5273 -1.4863 -1.4856 -1.3580 -1.3562 -1.2938 -1.2933 -0.2421 -0.2409 -0.1882 -0.1868 5.7011 5.7015 6.2972 6.2990 6.7203 6.7230 6.8182 6.8182 k = 0.4466 0.1321-0.4539 ( 4386 PWs) bands (ev): -26.9222 -26.9222 -26.9217 -26.9217 -15.3351 -15.3348 -15.3346 -15.3341 -10.6249 -10.6178 -10.5954 -10.5920 -10.3797 -10.3720 -10.3503 -10.3457 -10.3267 -10.3180 -10.3053 -10.3050 -3.0519 -3.0514 -3.0323 -3.0322 -1.5197 -1.5197 -1.4811 -1.4804 -1.3561 -1.3543 -1.2902 -1.2897 -0.2480 -0.2468 -0.1989 -0.1976 5.7277 5.7281 6.2853 6.2870 6.7095 6.7120 6.8066 6.8066 k = 0.4502 0.1332-0.4288 ( 4389 PWs) bands (ev): -26.9225 -26.9225 -26.9221 -26.9221 -15.3353 -15.3351 -15.3349 -15.3347 -10.6223 -10.6160 -10.5940 -10.5912 -10.3773 -10.3701 -10.3490 -10.3437 -10.3246 -10.3163 -10.3040 -10.3035 -3.0523 -3.0518 -3.0361 -3.0361 -1.5127 -1.5127 -1.4763 -1.4755 -1.3538 -1.3519 -1.2868 -1.2863 -0.2537 -0.2526 -0.2094 -0.2080 5.7543 5.7547 6.2740 6.2756 6.6994 6.7017 6.7953 6.7953 k = 0.4538 0.1342-0.4036 ( 4393 PWs) bands (ev): -26.9228 -26.9228 -26.9224 -26.9224 -15.3356 -15.3355 -15.3351 -15.3351 -10.6198 -10.6141 -10.5927 -10.5906 -10.3750 -10.3680 -10.3479 -10.3420 -10.3226 -10.3146 -10.3031 -10.3017 -3.0527 -3.0522 -3.0397 -3.0397 -1.5063 -1.5063 -1.4720 -1.4712 -1.3508 -1.3489 -1.2835 -1.2830 -0.2592 -0.2581 -0.2194 -0.2181 5.7810 5.7814 6.2631 6.2646 6.6901 6.6924 6.7843 6.7843 k = 0.4573 0.1353-0.3785 ( 4395 PWs) bands (ev): -26.9230 -26.9230 -26.9227 -26.9227 -15.3361 -15.3358 -15.3355 -15.3353 -10.6173 -10.6122 -10.5917 -10.5901 -10.3727 -10.3659 -10.3470 -10.3405 -10.3205 -10.3128 -10.3022 -10.3001 -3.0533 -3.0528 -3.0430 -3.0430 -1.5004 -1.5004 -1.4682 -1.4674 -1.3473 -1.3454 -1.2805 -1.2800 -0.2644 -0.2633 -0.2290 -0.2277 5.8076 5.8079 6.2525 6.2538 6.6819 6.6840 6.7737 6.7737 k = 0.4609 0.1363-0.3534 ( 4389 PWs) bands (ev): -26.9232 -26.9232 -26.9229 -26.9229 -15.3365 -15.3362 -15.3357 -15.3355 -10.6149 -10.6104 -10.5908 -10.5897 -10.3705 -10.3638 -10.3463 -10.3393 -10.3185 -10.3110 -10.3015 -10.2986 -3.0539 -3.0534 -3.0461 -3.0460 -1.4951 -1.4951 -1.4649 -1.4642 -1.3431 -1.3413 -1.2778 -1.2772 -0.2692 -0.2683 -0.2381 -0.2369 5.8340 5.8343 6.2419 6.2431 6.6749 6.6768 6.7635 6.7636 k = 0.4644 0.1374-0.3283 ( 4392 PWs) bands (ev): -26.9235 -26.9235 -26.9232 -26.9232 -15.3368 -15.3366 -15.3359 -15.3357 -10.6125 -10.6085 -10.5901 -10.5894 -10.3684 -10.3617 -10.3459 -10.3384 -10.3165 -10.3092 -10.3008 -10.2973 -3.0546 -3.0541 -3.0489 -3.0487 -1.4902 -1.4902 -1.4623 -1.4616 -1.3385 -1.3368 -1.2754 -1.2749 -0.2738 -0.2729 -0.2467 -0.2454 5.8601 5.8603 6.2312 6.2322 6.6692 6.6709 6.7537 6.7538 k = 0.4680 0.1384-0.3031 ( 4390 PWs) bands (ev): -26.9237 -26.9237 -26.9234 -26.9234 -15.3371 -15.3369 -15.3361 -15.3359 -10.6102 -10.6066 -10.5895 -10.5893 -10.3664 -10.3595 -10.3456 -10.3377 -10.3146 -10.3073 -10.3003 -10.2961 -3.0553 -3.0548 -3.0513 -3.0512 -1.4858 -1.4858 -1.4603 -1.4596 -1.3333 -1.3318 -1.2735 -1.2730 -0.2780 -0.2772 -0.2546 -0.2534 5.8858 5.8860 6.2201 6.2209 6.6648 6.6663 6.7444 6.7445 k = 0.4715 0.1395-0.2780 ( 4386 PWs) bands (ev): -26.9238 -26.9238 -26.9236 -26.9236 -15.3374 -15.3371 -15.3363 -15.3362 -10.6080 -10.6048 -10.5892 -10.5892 -10.3644 -10.3574 -10.3455 -10.3374 -10.3128 -10.3055 -10.2999 -10.2951 -3.0561 -3.0556 -3.0535 -3.0533 -1.4818 -1.4818 -1.4588 -1.4581 -1.3278 -1.3264 -1.2722 -1.2717 -0.2817 -0.2811 -0.2619 -0.2607 5.9111 5.9112 6.2086 6.2093 6.6618 6.6630 6.7355 6.7356 k = 0.4751 0.1406-0.2529 ( 4394 PWs) bands (ev): -26.9240 -26.9240 -26.9238 -26.9238 -15.3376 -15.3374 -15.3366 -15.3364 -10.6059 -10.6030 -10.5894 -10.5890 -10.3625 -10.3553 -10.3457 -10.3373 -10.3110 -10.3037 -10.2996 -10.2944 -3.0569 -3.0564 -3.0553 -3.0551 -1.4782 -1.4782 -1.4578 -1.4572 -1.3221 -1.3208 -1.2714 -1.2710 -0.2851 -0.2845 -0.2684 -0.2674 5.9358 5.9358 6.1964 6.1970 6.6601 6.6611 6.7270 6.7272 k = 0.4787 0.1416-0.2277 ( 4396 PWs) bands (ev): -26.9242 -26.9242 -26.9240 -26.9240 -15.3377 -15.3375 -15.3368 -15.3366 -10.6039 -10.6013 -10.5897 -10.5891 -10.3607 -10.3533 -10.3460 -10.3374 -10.3093 -10.3020 -10.2994 -10.2938 -3.0577 -3.0572 -3.0569 -3.0566 -1.4750 -1.4750 -1.4573 -1.4568 -1.3162 -1.3151 -1.2713 -1.2710 -0.2880 -0.2875 -0.2743 -0.2733 5.9598 5.9598 6.1836 6.1840 6.6597 6.6605 6.7189 6.7191 k = 0.4822 0.1427-0.2026 ( 4391 PWs) bands (ev): -26.9243 -26.9243 -26.9241 -26.9241 -15.3378 -15.3376 -15.3370 -15.3368 -10.6020 -10.5996 -10.5901 -10.5893 -10.3589 -10.3513 -10.3466 -10.3378 -10.3077 -10.3004 -10.2994 -10.2934 -3.0584 -3.0581 -3.0580 -3.0578 -1.4720 -1.4720 -1.4572 -1.4567 -1.3103 -1.3093 -1.2718 -1.2715 -0.2903 -0.2900 -0.2794 -0.2785 5.9832 5.9832 6.1699 6.1702 6.6605 6.6612 6.7112 6.7114 k = 0.4858 0.1437-0.1775 ( 4394 PWs) bands (ev): -26.9244 -26.9244 -26.9243 -26.9243 -15.3378 -15.3377 -15.3371 -15.3371 -10.6002 -10.5981 -10.5907 -10.5897 -10.3572 -10.3493 -10.3472 -10.3384 -10.3062 -10.2996 -10.2989 -10.2932 -3.0591 -3.0590 -3.0588 -3.0586 -1.4694 -1.4693 -1.4574 -1.4570 -1.3045 -1.3037 -1.2730 -1.2728 -0.2921 -0.2919 -0.2837 -0.2830 6.0058 6.0059 6.1554 6.1555 6.6624 6.6629 6.7039 6.7040 k = 0.4893 0.1448-0.1524 ( 4394 PWs) bands (ev): -26.9245 -26.9245 -26.9244 -26.9244 -15.3379 -15.3378 -15.3373 -15.3372 -10.5986 -10.5966 -10.5914 -10.5902 -10.3556 -10.3481 -10.3475 -10.3392 -10.3049 -10.2999 -10.2976 -10.2932 -3.0599 -3.0596 -3.0595 -3.0592 -1.4670 -1.4669 -1.4580 -1.4576 -1.2990 -1.2983 -1.2748 -1.2747 -0.2934 -0.2933 -0.2873 -0.2867 6.0276 6.0277 6.1399 6.1400 6.6653 6.6657 6.6970 6.6971 k = 0.4929 0.1458-0.1272 ( 4390 PWs) bands (ev): -26.9245 -26.9245 -26.9245 -26.9245 -15.3378 -15.3378 -15.3375 -15.3374 -10.5970 -10.5952 -10.5922 -10.5909 -10.3541 -10.3490 -10.3458 -10.3402 -10.3037 -10.3003 -10.2964 -10.2934 -3.0603 -3.0601 -3.0600 -3.0597 -1.4649 -1.4648 -1.4588 -1.4585 -1.2937 -1.2931 -1.2773 -1.2773 -0.2940 -0.2940 -0.2901 -0.2896 6.0486 6.0487 6.1236 6.1236 6.6691 6.6693 6.6904 6.6905 k = 0.4964 0.1469-0.1021 ( 4392 PWs) bands (ev): -26.9245 -26.9245 -26.9245 -26.9245 -15.3378 -15.3377 -15.3376 -15.3376 -10.5956 -10.5939 -10.5932 -10.5918 -10.3527 -10.3501 -10.3442 -10.3413 -10.3026 -10.3009 -10.2954 -10.2939 -3.0605 -3.0604 -3.0602 -3.0600 -1.4630 -1.4628 -1.4600 -1.4597 -1.2888 -1.2884 -1.2806 -1.2805 -0.2941 -0.2939 -0.2922 -0.2917 6.0687 6.0688 6.1062 6.1062 6.6736 6.6737 6.6843 6.6844 k = 0.5000 0.1479-0.0770 ( 4392 PWs) bands (ev): -26.9245 -26.9245 -26.9245 -26.9245 -15.3377 -15.3377 -15.3377 -15.3377 -10.5944 -10.5944 -10.5928 -10.5928 -10.3514 -10.3514 -10.3427 -10.3427 -10.3017 -10.3017 -10.2945 -10.2945 -3.0606 -3.0606 -3.0602 -3.0602 -1.4613 -1.4613 -1.4611 -1.4611 -1.2844 -1.2844 -1.2842 -1.2842 -0.2935 -0.2935 -0.2932 -0.2932 6.0879 6.0879 6.0880 6.0880 6.6787 6.6787 6.6787 6.6787 k = 0.5000 0.1479-0.0770 ( 4392 PWs) bands (ev): -26.9245 -26.9245 -26.9245 -26.9245 -15.3377 -15.3377 -15.3377 -15.3377 -10.5944 -10.5944 -10.5928 -10.5928 -10.3514 -10.3514 -10.3427 -10.3427 -10.3017 -10.3017 -10.2945 -10.2945 -3.0606 -3.0606 -3.0602 -3.0602 -1.4613 -1.4613 -1.4611 -1.4611 -1.2844 -1.2844 -1.2842 -1.2842 -0.2935 -0.2935 -0.2932 -0.2932 6.0879 6.0879 6.0880 6.0880 6.6787 6.6787 6.6787 6.6787 k = 0.5072 0.1235-0.0770 ( 4396 PWs) bands (ev): -26.9245 -26.9245 -26.9245 -26.9245 -15.3377 -15.3377 -15.3377 -15.3376 -10.5948 -10.5948 -10.5924 -10.5924 -10.3516 -10.3516 -10.3426 -10.3426 -10.3018 -10.3018 -10.2946 -10.2946 -3.0607 -3.0607 -3.0603 -3.0603 -1.4615 -1.4615 -1.4613 -1.4613 -1.2846 -1.2846 -1.2843 -1.2843 -0.2930 -0.2930 -0.2927 -0.2927 6.0889 6.0889 6.0890 6.0890 6.6788 6.6788 6.6790 6.6790 k = 0.5145 0.0990-0.0770 ( 4396 PWs) bands (ev): -26.9245 -26.9245 -26.9245 -26.9245 -15.3377 -15.3376 -15.3376 -15.3376 -10.5958 -10.5958 -10.5918 -10.5918 -10.3522 -10.3522 -10.3423 -10.3423 -10.3021 -10.3021 -10.2949 -10.2949 -3.0610 -3.0610 -3.0605 -3.0605 -1.4621 -1.4621 -1.4617 -1.4617 -1.2849 -1.2849 -1.2846 -1.2846 -0.2914 -0.2914 -0.2911 -0.2911 6.0918 6.0918 6.0920 6.0920 6.6793 6.6793 6.6797 6.6797 k = 0.5217 0.0745-0.0770 ( 4400 PWs) bands (ev): -26.9245 -26.9245 -26.9244 -26.9244 -15.3376 -15.3376 -15.3375 -15.3375 -10.5970 -10.5970 -10.5913 -10.5912 -10.3531 -10.3531 -10.3419 -10.3419 -10.3027 -10.3027 -10.2953 -10.2953 -3.0614 -3.0614 -3.0610 -3.0610 -1.4629 -1.4629 -1.4624 -1.4624 -1.2855 -1.2855 -1.2850 -1.2850 -0.2889 -0.2889 -0.2884 -0.2884 6.0966 6.0966 6.0969 6.0969 6.6802 6.6802 6.6809 6.6809 k = 0.5290 0.0500-0.0770 ( 4404 PWs) bands (ev): -26.9244 -26.9244 -26.9244 -26.9244 -15.3375 -15.3375 -15.3374 -15.3374 -10.5983 -10.5983 -10.5908 -10.5908 -10.3543 -10.3543 -10.3414 -10.3414 -10.3034 -10.3034 -10.2959 -10.2959 -3.0621 -3.0621 -3.0616 -3.0616 -1.4640 -1.4640 -1.4634 -1.4634 -1.2863 -1.2863 -1.2858 -1.2858 -0.2853 -0.2853 -0.2848 -0.2848 6.1032 6.1032 6.1037 6.1037 6.6816 6.6816 6.6825 6.6825 k = 0.5362 0.0256-0.0770 ( 4402 PWs) bands (ev): -26.9243 -26.9243 -26.9243 -26.9243 -15.3374 -15.3374 -15.3372 -15.3372 -10.5997 -10.5997 -10.5905 -10.5905 -10.3556 -10.3556 -10.3410 -10.3410 -10.3043 -10.3043 -10.2966 -10.2966 -3.0629 -3.0629 -3.0624 -3.0624 -1.4654 -1.4654 -1.4647 -1.4647 -1.2873 -1.2873 -1.2867 -1.2867 -0.2807 -0.2807 -0.2801 -0.2801 6.1117 6.1117 6.1122 6.1122 6.6835 6.6835 6.6847 6.6847 k = 0.5434 0.0011-0.0770 ( 4398 PWs) bands (ev): -26.9242 -26.9242 -26.9242 -26.9242 -15.3372 -15.3372 -15.3371 -15.3371 -10.6012 -10.6012 -10.5903 -10.5903 -10.3571 -10.3571 -10.3407 -10.3407 -10.3054 -10.3054 -10.2976 -10.2976 -3.0639 -3.0639 -3.0634 -3.0633 -1.4671 -1.4671 -1.4662 -1.4662 -1.2885 -1.2885 -1.2878 -1.2878 -0.2752 -0.2752 -0.2745 -0.2745 6.1217 6.1217 6.1224 6.1224 6.6861 6.6861 6.6875 6.6875 k = 0.5507-0.0234-0.0770 ( 4392 PWs) bands (ev): -26.9241 -26.9241 -26.9241 -26.9241 -15.3370 -15.3370 -15.3369 -15.3368 -10.6028 -10.6028 -10.5902 -10.5902 -10.3587 -10.3587 -10.3404 -10.3404 -10.3066 -10.3066 -10.2986 -10.2986 -3.0650 -3.0650 -3.0644 -3.0644 -1.4689 -1.4689 -1.4680 -1.4680 -1.2899 -1.2899 -1.2892 -1.2892 -0.2687 -0.2687 -0.2679 -0.2679 6.1332 6.1332 6.1340 6.1340 6.6894 6.6894 6.6910 6.6910 k = 0.5579-0.0478-0.0770 ( 4386 PWs) bands (ev): -26.9239 -26.9239 -26.9239 -26.9239 -15.3368 -15.3368 -15.3366 -15.3366 -10.6044 -10.6044 -10.5902 -10.5902 -10.3604 -10.3604 -10.3402 -10.3402 -10.3080 -10.3080 -10.2999 -10.2999 -3.0663 -3.0663 -3.0657 -3.0657 -1.4710 -1.4710 -1.4700 -1.4700 -1.2916 -1.2916 -1.2908 -1.2908 -0.2614 -0.2614 -0.2605 -0.2605 6.1460 6.1460 6.1469 6.1469 6.6936 6.6936 6.6954 6.6954 k = 0.5651-0.0723-0.0770 ( 4388 PWs) bands (ev): -26.9238 -26.9238 -26.9238 -26.9238 -15.3366 -15.3366 -15.3364 -15.3364 -10.6062 -10.6062 -10.5904 -10.5904 -10.3621 -10.3621 -10.3402 -10.3402 -10.3096 -10.3096 -10.3013 -10.3013 -3.0677 -3.0677 -3.0670 -3.0670 -1.4732 -1.4732 -1.4722 -1.4722 -1.2935 -1.2935 -1.2927 -1.2927 -0.2532 -0.2532 -0.2523 -0.2523 6.1599 6.1599 6.1608 6.1608 6.6988 6.6988 6.7008 6.7008 k = 0.5724-0.0968-0.0770 ( 4384 PWs) bands (ev): -26.9236 -26.9236 -26.9236 -26.9236 -15.3363 -15.3363 -15.3361 -15.3361 -10.6080 -10.6080 -10.5907 -10.5907 -10.3639 -10.3639 -10.3403 -10.3403 -10.3112 -10.3112 -10.3028 -10.3028 -3.0692 -3.0692 -3.0685 -3.0685 -1.4756 -1.4756 -1.4745 -1.4745 -1.2957 -1.2957 -1.2948 -1.2948 -0.2443 -0.2443 -0.2433 -0.2433 6.1745 6.1745 6.1756 6.1756 6.7051 6.7051 6.7074 6.7074 k = 0.5796-0.1212-0.0770 ( 4378 PWs) bands (ev): -26.9234 -26.9234 -26.9234 -26.9234 -15.3361 -15.3361 -15.3358 -15.3358 -10.6099 -10.6099 -10.5911 -10.5911 -10.3658 -10.3658 -10.3406 -10.3406 -10.3130 -10.3130 -10.3045 -10.3045 -3.0709 -3.0708 -3.0701 -3.0700 -1.4781 -1.4781 -1.4770 -1.4770 -1.2981 -1.2981 -1.2971 -1.2971 -0.2346 -0.2346 -0.2336 -0.2336 6.1898 6.1898 6.1910 6.1910 6.7127 6.7127 6.7152 6.7152 k = 0.5869-0.1457-0.0770 ( 4374 PWs) bands (ev): -26.9232 -26.9232 -26.9232 -26.9232 -15.3358 -15.3358 -15.3355 -15.3354 -10.6118 -10.6118 -10.5916 -10.5916 -10.3676 -10.3676 -10.3410 -10.3410 -10.3148 -10.3148 -10.3063 -10.3063 -3.0726 -3.0725 -3.0717 -3.0717 -1.4807 -1.4807 -1.4797 -1.4797 -1.3007 -1.3007 -1.2997 -1.2997 -0.2243 -0.2243 -0.2232 -0.2232 6.2054 6.2054 6.2067 6.2067 6.7218 6.7218 6.7245 6.7245 k = 0.5941-0.1702-0.0770 ( 4380 PWs) bands (ev): -26.9230 -26.9230 -26.9230 -26.9230 -15.3355 -15.3354 -15.3351 -15.3351 -10.6137 -10.6137 -10.5923 -10.5923 -10.3695 -10.3695 -10.3416 -10.3416 -10.3167 -10.3167 -10.3082 -10.3082 -3.0743 -3.0743 -3.0734 -3.0734 -1.4835 -1.4835 -1.4824 -1.4824 -1.3036 -1.3036 -1.3026 -1.3026 -0.2135 -0.2135 -0.2123 -0.2122 6.2210 6.2210 6.2224 6.2224 6.7325 6.7325 6.7354 6.7354 k = 0.6013-0.1946-0.0770 ( 4380 PWs) bands (ev): -26.9227 -26.9227 -26.9227 -26.9227 -15.3351 -15.3351 -15.3348 -15.3348 -10.6157 -10.6157 -10.5930 -10.5930 -10.3715 -10.3714 -10.3423 -10.3423 -10.3187 -10.3187 -10.3102 -10.3102 -3.0761 -3.0761 -3.0751 -3.0751 -1.4862 -1.4862 -1.4853 -1.4853 -1.3067 -1.3067 -1.3057 -1.3057 -0.2021 -0.2021 -0.2008 -0.2008 6.2365 6.2365 6.2380 6.2380 6.7450 6.7450 6.7480 6.7480 k = 0.6086-0.2191-0.0770 ( 4380 PWs) bands (ev): -26.9225 -26.9225 -26.9225 -26.9225 -15.3348 -15.3348 -15.3344 -15.3344 -10.6178 -10.6177 -10.5939 -10.5939 -10.3734 -10.3734 -10.3432 -10.3432 -10.3208 -10.3208 -10.3122 -10.3122 -3.0779 -3.0779 -3.0769 -3.0769 -1.4890 -1.4890 -1.4881 -1.4881 -1.3100 -1.3100 -1.3090 -1.3090 -0.1903 -0.1903 -0.1889 -0.1889 6.2515 6.2515 6.2531 6.2531 6.7592 6.7592 6.7624 6.7624 k = 0.6158-0.2436-0.0770 ( 4382 PWs) bands (ev): -26.9223 -26.9223 -26.9223 -26.9223 -15.3344 -15.3344 -15.3340 -15.3340 -10.6198 -10.6198 -10.5948 -10.5948 -10.3753 -10.3753 -10.3443 -10.3443 -10.3229 -10.3229 -10.3143 -10.3143 -3.0797 -3.0797 -3.0786 -3.0786 -1.4918 -1.4918 -1.4910 -1.4910 -1.3137 -1.3137 -1.3125 -1.3125 -0.1781 -0.1781 -0.1766 -0.1766 6.2659 6.2659 6.2676 6.2676 6.7752 6.7752 6.7786 6.7786 k = 0.6231-0.2680-0.0770 ( 4382 PWs) bands (ev): -26.9220 -26.9220 -26.9220 -26.9220 -15.3340 -15.3340 -15.3336 -15.3336 -10.6218 -10.6218 -10.5959 -10.5959 -10.3772 -10.3772 -10.3455 -10.3455 -10.3250 -10.3250 -10.3164 -10.3164 -3.0815 -3.0815 -3.0803 -3.0803 -1.4946 -1.4946 -1.4939 -1.4939 -1.3175 -1.3175 -1.3163 -1.3163 -0.1656 -0.1656 -0.1641 -0.1641 6.2796 6.2796 6.2813 6.2813 6.7930 6.7930 6.7965 6.7965 k = 0.6303-0.2925-0.0770 ( 4386 PWs) bands (ev): -26.9218 -26.9218 -26.9218 -26.9218 -15.3336 -15.3336 -15.3332 -15.3332 -10.6239 -10.6239 -10.5970 -10.5970 -10.3791 -10.3791 -10.3469 -10.3469 -10.3272 -10.3272 -10.3185 -10.3185 -3.0833 -3.0833 -3.0820 -3.0820 -1.4973 -1.4973 -1.4968 -1.4968 -1.3216 -1.3216 -1.3203 -1.3203 -0.1529 -0.1529 -0.1513 -0.1513 6.2924 6.2924 6.2942 6.2942 6.8125 6.8125 6.8161 6.8161 k = 0.6375-0.3170-0.0770 ( 4388 PWs) bands (ev): -26.9215 -26.9215 -26.9215 -26.9215 -15.3332 -15.3332 -15.3328 -15.3328 -10.6259 -10.6259 -10.5982 -10.5982 -10.3809 -10.3809 -10.3485 -10.3485 -10.3294 -10.3294 -10.3205 -10.3205 -3.0850 -3.0850 -3.0836 -3.0836 -1.5000 -1.5000 -1.4997 -1.4997 -1.3259 -1.3259 -1.3246 -1.3246 -0.1401 -0.1401 -0.1383 -0.1383 6.3043 6.3043 6.3062 6.3062 6.8335 6.8335 6.8372 6.8372 k = 0.6448-0.3414-0.0770 ( 4386 PWs) bands (ev): -26.9212 -26.9212 -26.9212 -26.9212 -15.3328 -15.3328 -15.3324 -15.3324 -10.6279 -10.6279 -10.5995 -10.5995 -10.3828 -10.3828 -10.3501 -10.3501 -10.3317 -10.3317 -10.3225 -10.3225 -3.0866 -3.0866 -3.0851 -3.0851 -1.5027 -1.5027 -1.5025 -1.5024 -1.3305 -1.3305 -1.3291 -1.3291 -0.1272 -0.1272 -0.1253 -0.1253 6.3153 6.3153 6.3173 6.3173 6.8558 6.8558 6.8595 6.8595 k = 0.6520-0.3659-0.0770 ( 4384 PWs) bands (ev): -26.9209 -26.9209 -26.9209 -26.9209 -15.3324 -15.3324 -15.3320 -15.3320 -10.6299 -10.6299 -10.6008 -10.6008 -10.3846 -10.3846 -10.3519 -10.3519 -10.3340 -10.3340 -10.3244 -10.3243 -3.0880 -3.0880 -3.0866 -3.0866 -1.5053 -1.5053 -1.5051 -1.5051 -1.3353 -1.3353 -1.3337 -1.3337 -0.1142 -0.1142 -0.1123 -0.1123 6.3254 6.3254 6.3275 6.3275 6.8791 6.8791 6.8829 6.8829 k = 0.6592-0.3904-0.0770 ( 4380 PWs) bands (ev): -26.9207 -26.9207 -26.9206 -26.9206 -15.3320 -15.3320 -15.3315 -15.3315 -10.6318 -10.6318 -10.6022 -10.6022 -10.3863 -10.3863 -10.3539 -10.3538 -10.3364 -10.3364 -10.3261 -10.3261 -3.0894 -3.0894 -3.0878 -3.0878 -1.5080 -1.5080 -1.5076 -1.5076 -1.3403 -1.3403 -1.3386 -1.3386 -0.1014 -0.1014 -0.0993 -0.0993 6.3348 6.3348 6.3370 6.3370 6.9031 6.9031 6.9070 6.9070 k = 0.6665-0.4148-0.0770 ( 4384 PWs) bands (ev): -26.9204 -26.9204 -26.9204 -26.9204 -15.3316 -15.3316 -15.3311 -15.3311 -10.6338 -10.6337 -10.6036 -10.6036 -10.3881 -10.3881 -10.3559 -10.3559 -10.3388 -10.3388 -10.3278 -10.3278 -3.0906 -3.0906 -3.0890 -3.0890 -1.5105 -1.5105 -1.5100 -1.5099 -1.3455 -1.3455 -1.3437 -1.3437 -0.0887 -0.0886 -0.0865 -0.0865 6.3435 6.3435 6.3458 6.3458 6.9275 6.9275 6.9314 6.9314 k = 0.6737-0.4393-0.0770 ( 4388 PWs) bands (ev): -26.9201 -26.9201 -26.9201 -26.9201 -15.3312 -15.3312 -15.3307 -15.3307 -10.6356 -10.6356 -10.6051 -10.6051 -10.3898 -10.3898 -10.3579 -10.3579 -10.3412 -10.3411 -10.3294 -10.3294 -3.0916 -3.0916 -3.0899 -3.0899 -1.5130 -1.5130 -1.5122 -1.5122 -1.3509 -1.3509 -1.3490 -1.3490 -0.0761 -0.0761 -0.0739 -0.0739 6.3516 6.3516 6.3540 6.3540 6.9518 6.9519 6.9557 6.9557 k = 0.6810-0.4638-0.0770 ( 4384 PWs) bands (ev): -26.9198 -26.9198 -26.9198 -26.9198 -15.3308 -15.3308 -15.3303 -15.3303 -10.6375 -10.6375 -10.6065 -10.6065 -10.3914 -10.3914 -10.3601 -10.3601 -10.3435 -10.3435 -10.3309 -10.3309 -3.0925 -3.0925 -3.0907 -3.0907 -1.5153 -1.5153 -1.5143 -1.5143 -1.3565 -1.3565 -1.3544 -1.3544 -0.0639 -0.0639 -0.0615 -0.0615 6.3592 6.3592 6.3617 6.3617 6.9758 6.9758 6.9797 6.9797 k = 0.6882-0.4882-0.0770 ( 4388 PWs) bands (ev): -26.9196 -26.9196 -26.9196 -26.9196 -15.3305 -15.3304 -15.3299 -15.3299 -10.6392 -10.6392 -10.6080 -10.6080 -10.3930 -10.3930 -10.3622 -10.3622 -10.3457 -10.3457 -10.3323 -10.3323 -3.0932 -3.0932 -3.0913 -3.0913 -1.5175 -1.5175 -1.5163 -1.5163 -1.3623 -1.3623 -1.3601 -1.3601 -0.0520 -0.0520 -0.0495 -0.0495 6.3664 6.3664 6.3690 6.3690 6.9991 6.9991 7.0030 7.0030 k = 0.6954-0.5127-0.0770 ( 4390 PWs) bands (ev): -26.9193 -26.9193 -26.9193 -26.9193 -15.3301 -15.3301 -15.3295 -15.3295 -10.6410 -10.6410 -10.6096 -10.6096 -10.3946 -10.3946 -10.3644 -10.3644 -10.3478 -10.3478 -10.3336 -10.3336 -3.0936 -3.0936 -3.0917 -3.0917 -1.5196 -1.5196 -1.5181 -1.5181 -1.3682 -1.3682 -1.3658 -1.3658 -0.0405 -0.0405 -0.0378 -0.0378 6.3732 6.3732 6.3760 6.3760 7.0213 7.0213 7.0251 7.0251 k = 0.7027-0.5372-0.0770 ( 4384 PWs) bands (ev): -26.9190 -26.9190 -26.9190 -26.9190 -15.3297 -15.3297 -15.3292 -15.3292 -10.6426 -10.6426 -10.6111 -10.6111 -10.3962 -10.3962 -10.3667 -10.3667 -10.3498 -10.3498 -10.3349 -10.3349 -3.0938 -3.0938 -3.0918 -3.0918 -1.5215 -1.5215 -1.5198 -1.5198 -1.3742 -1.3742 -1.3717 -1.3717 -0.0294 -0.0294 -0.0266 -0.0266 6.3798 6.3798 6.3827 6.3827 7.0420 7.0420 7.0459 7.0459 k = 0.7099-0.5616-0.0770 ( 4382 PWs) bands (ev): -26.9187 -26.9187 -26.9187 -26.9187 -15.3293 -15.3293 -15.3288 -15.3288 -10.6442 -10.6442 -10.6126 -10.6126 -10.3977 -10.3977 -10.3689 -10.3689 -10.3517 -10.3517 -10.3361 -10.3361 -3.0938 -3.0938 -3.0918 -3.0918 -1.5233 -1.5233 -1.5213 -1.5213 -1.3804 -1.3804 -1.3777 -1.3777 -0.0188 -0.0188 -0.0160 -0.0160 6.3862 6.3862 6.3892 6.3892 7.0610 7.0610 7.0648 7.0648 k = 0.7172-0.5861-0.0770 ( 4388 PWs) bands (ev): -26.9185 -26.9185 -26.9185 -26.9185 -15.3290 -15.3290 -15.3285 -15.3285 -10.6458 -10.6458 -10.6141 -10.6141 -10.3992 -10.3992 -10.3711 -10.3711 -10.3534 -10.3534 -10.3373 -10.3373 -3.0936 -3.0936 -3.0914 -3.0914 -1.5250 -1.5250 -1.5227 -1.5227 -1.3867 -1.3867 -1.3838 -1.3838 -0.0088 -0.0088 -0.0058 -0.0058 6.3923 6.3923 6.3954 6.3954 7.0779 7.0779 7.0816 7.0816 k = 0.7244-0.6106-0.0770 ( 4384 PWs) bands (ev): -26.9182 -26.9182 -26.9182 -26.9182 -15.3287 -15.3287 -15.3281 -15.3281 -10.6473 -10.6472 -10.6156 -10.6156 -10.4006 -10.4006 -10.3733 -10.3733 -10.3549 -10.3549 -10.3384 -10.3384 -3.0931 -3.0931 -3.0909 -3.0909 -1.5265 -1.5265 -1.5240 -1.5240 -1.3930 -1.3930 -1.3899 -1.3899 0.0006 0.0006 0.0037 0.0037 6.3983 6.3983 6.4015 6.4015 7.0923 7.0923 7.0960 7.0960 k = 0.7316-0.6351-0.0770 ( 4386 PWs) bands (ev): -26.9180 -26.9180 -26.9180 -26.9180 -15.3284 -15.3283 -15.3278 -15.3278 -10.6487 -10.6486 -10.6170 -10.6170 -10.4021 -10.4021 -10.3755 -10.3755 -10.3562 -10.3562 -10.3394 -10.3394 -3.0923 -3.0923 -3.0901 -3.0901 -1.5280 -1.5280 -1.5252 -1.5252 -1.3993 -1.3993 -1.3960 -1.3960 0.0094 0.0094 0.0126 0.0126 6.4040 6.4040 6.4074 6.4074 7.1041 7.1041 7.1078 7.1078 k = 0.7389-0.6595-0.0770 ( 4388 PWs) bands (ev): -26.9178 -26.9178 -26.9178 -26.9178 -15.3281 -15.3281 -15.3275 -15.3275 -10.6500 -10.6500 -10.6184 -10.6184 -10.4035 -10.4035 -10.3776 -10.3776 -10.3573 -10.3573 -10.3404 -10.3404 -3.0913 -3.0913 -3.0890 -3.0890 -1.5294 -1.5294 -1.5263 -1.5263 -1.4056 -1.4056 -1.4021 -1.4021 0.0175 0.0175 0.0208 0.0208 6.4096 6.4096 6.4130 6.4130 7.1130 7.1130 7.1166 7.1166 k = 0.7461-0.6840-0.0770 ( 4382 PWs) bands (ev): -26.9175 -26.9175 -26.9175 -26.9175 -15.3278 -15.3278 -15.3272 -15.3272 -10.6512 -10.6512 -10.6198 -10.6198 -10.4049 -10.4049 -10.3797 -10.3797 -10.3582 -10.3582 -10.3413 -10.3413 -3.0900 -3.0900 -3.0877 -3.0876 -1.5307 -1.5307 -1.5273 -1.5273 -1.4117 -1.4117 -1.4081 -1.4081 0.0249 0.0249 0.0283 0.0283 6.4148 6.4148 6.4184 6.4184 7.1188 7.1188 7.1224 7.1224 k = 0.7533-0.7085-0.0770 ( 4382 PWs) bands (ev): -26.9173 -26.9173 -26.9173 -26.9173 -15.3275 -15.3275 -15.3270 -15.3270 -10.6524 -10.6524 -10.6212 -10.6212 -10.4063 -10.4062 -10.3816 -10.3816 -10.3589 -10.3589 -10.3421 -10.3421 -3.0885 -3.0885 -3.0861 -3.0861 -1.5320 -1.5320 -1.5284 -1.5284 -1.4177 -1.4177 -1.4139 -1.4139 0.0316 0.0316 0.0351 0.0351 6.4197 6.4197 6.4233 6.4233 7.1214 7.1214 7.1249 7.1249 k = 0.7606-0.7329-0.0770 ( 4388 PWs) bands (ev): -26.9171 -26.9171 -26.9171 -26.9171 -15.3273 -15.3273 -15.3267 -15.3267 -10.6535 -10.6535 -10.6225 -10.6225 -10.4076 -10.4076 -10.3835 -10.3835 -10.3594 -10.3594 -10.3429 -10.3429 -3.0867 -3.0867 -3.0842 -3.0842 -1.5334 -1.5334 -1.5295 -1.5295 -1.4235 -1.4235 -1.4195 -1.4195 0.0375 0.0375 0.0411 0.0411 6.4240 6.4240 6.4278 6.4278 7.1207 7.1207 7.1242 7.1242 k = 0.7678-0.7574-0.0770 ( 4392 PWs) bands (ev): -26.9170 -26.9170 -26.9169 -26.9169 -15.3271 -15.3270 -15.3265 -15.3265 -10.6545 -10.6545 -10.6238 -10.6237 -10.4089 -10.4089 -10.3853 -10.3853 -10.3598 -10.3597 -10.3436 -10.3436 -3.0846 -3.0846 -3.0822 -3.0822 -1.5349 -1.5349 -1.5308 -1.5308 -1.4289 -1.4289 -1.4248 -1.4248 0.0427 0.0427 0.0463 0.0463 6.4278 6.4278 6.4317 6.4317 7.1168 7.1168 7.1203 7.1203 k = 0.7751-0.7819-0.0770 ( 4384 PWs) bands (ev): -26.9168 -26.9168 -26.9167 -26.9167 -15.3268 -15.3268 -15.3263 -15.3263 -10.6554 -10.6554 -10.6250 -10.6249 -10.4102 -10.4102 -10.3870 -10.3870 -10.3599 -10.3599 -10.3442 -10.3442 -3.0824 -3.0823 -3.0799 -3.0799 -1.5366 -1.5366 -1.5324 -1.5324 -1.4339 -1.4338 -1.4297 -1.4297 0.0471 0.0471 0.0508 0.0508 6.4308 6.4308 6.4348 6.4348 7.1098 7.1098 7.1133 7.1133 k = 0.7823-0.8063-0.0770 ( 4382 PWs) bands (ev): -26.9166 -26.9166 -26.9166 -26.9166 -15.3267 -15.3267 -15.3261 -15.3261 -10.6563 -10.6562 -10.6261 -10.6261 -10.4115 -10.4115 -10.3886 -10.3886 -10.3599 -10.3599 -10.3447 -10.3447 -3.0798 -3.0798 -3.0773 -3.0773 -1.5386 -1.5386 -1.5343 -1.5343 -1.4382 -1.4382 -1.4340 -1.4340 0.0507 0.0507 0.0545 0.0545 6.4329 6.4329 6.4370 6.4370 7.0999 7.0999 7.1034 7.1034 k = 0.7895-0.8308-0.0770 ( 4388 PWs) bands (ev): -26.9164 -26.9164 -26.9164 -26.9164 -15.3265 -15.3265 -15.3260 -15.3260 -10.6570 -10.6570 -10.6272 -10.6272 -10.4127 -10.4127 -10.3901 -10.3901 -10.3598 -10.3598 -10.3452 -10.3452 -3.0771 -3.0771 -3.0746 -3.0746 -1.5410 -1.5410 -1.5367 -1.5367 -1.4419 -1.4419 -1.4377 -1.4377 0.0536 0.0536 0.0574 0.0574 6.4337 6.4337 6.4379 6.4379 7.0874 7.0874 7.0910 7.0910 k = 0.7968-0.8553-0.0770 ( 4386 PWs) bands (ev): -26.9163 -26.9163 -26.9163 -26.9163 -15.3264 -15.3264 -15.3258 -15.3258 -10.6577 -10.6577 -10.6283 -10.6283 -10.4139 -10.4139 -10.3915 -10.3915 -10.3595 -10.3595 -10.3456 -10.3456 -3.0742 -3.0742 -3.0716 -3.0716 -1.5439 -1.5439 -1.5396 -1.5396 -1.4447 -1.4447 -1.4406 -1.4406 0.0557 0.0557 0.0596 0.0596 6.4331 6.4331 6.4373 6.4373 7.0728 7.0728 7.0766 7.0766 k = 0.8040-0.8797-0.0770 ( 4392 PWs) bands (ev): -26.9161 -26.9161 -26.9161 -26.9161 -15.3262 -15.3262 -15.3257 -15.3257 -10.6583 -10.6583 -10.6293 -10.6293 -10.4150 -10.4150 -10.3928 -10.3928 -10.3591 -10.3591 -10.3459 -10.3459 -3.0710 -3.0710 -3.0685 -3.0685 -1.5474 -1.5474 -1.5431 -1.5431 -1.4467 -1.4467 -1.4427 -1.4427 0.0571 0.0571 0.0609 0.0609 6.4307 6.4307 6.4350 6.4350 7.0567 7.0567 7.0605 7.0605 k = 0.8113-0.9042-0.0770 ( 4398 PWs) bands (ev): -26.9160 -26.9160 -26.9160 -26.9160 -15.3261 -15.3261 -15.3256 -15.3256 -10.6588 -10.6588 -10.6303 -10.6303 -10.4160 -10.4160 -10.3939 -10.3939 -10.3586 -10.3586 -10.3461 -10.3461 -3.0677 -3.0677 -3.0652 -3.0652 -1.5513 -1.5513 -1.5472 -1.5472 -1.4478 -1.4478 -1.4441 -1.4441 0.0577 0.0577 0.0616 0.0616 6.4263 6.4263 6.4306 6.4306 7.0397 7.0397 7.0436 7.0436 k = 0.8185-0.9287-0.0770 ( 4400 PWs) bands (ev): -26.9159 -26.9159 -26.9159 -26.9159 -15.3260 -15.3260 -15.3255 -15.3255 -10.6592 -10.6592 -10.6312 -10.6312 -10.4170 -10.4169 -10.3950 -10.3950 -10.3580 -10.3580 -10.3462 -10.3462 -3.0643 -3.0643 -3.0618 -3.0618 -1.5558 -1.5558 -1.5519 -1.5519 -1.4481 -1.4481 -1.4445 -1.4445 0.0576 0.0576 0.0615 0.0615 6.4195 6.4195 6.4238 6.4238 7.0223 7.0223 7.0263 7.0263 k = 0.8257-0.9531-0.0770 ( 4396 PWs) bands (ev): -26.9158 -26.9158 -26.9158 -26.9158 -15.3260 -15.3260 -15.3255 -15.3255 -10.6595 -10.6595 -10.6321 -10.6321 -10.4178 -10.4178 -10.3960 -10.3960 -10.3573 -10.3573 -10.3462 -10.3462 -3.0606 -3.0606 -3.0582 -3.0582 -1.5609 -1.5609 -1.5572 -1.5572 -1.4474 -1.4474 -1.4442 -1.4442 0.0569 0.0569 0.0608 0.0608 6.4100 6.4100 6.4143 6.4143 7.0054 7.0054 7.0095 7.0095 k = 0.1743-0.5891 1.1040 ( 4396 PWs) bands (ev): -26.9158 -26.9158 -26.9158 -26.9158 -15.3260 -15.3260 -15.3255 -15.3255 -10.6595 -10.6595 -10.6321 -10.6321 -10.4178 -10.4178 -10.3960 -10.3960 -10.3573 -10.3573 -10.3462 -10.3462 -3.0606 -3.0606 -3.0582 -3.0582 -1.5609 -1.5609 -1.5572 -1.5572 -1.4474 -1.4474 -1.4442 -1.4442 0.0569 0.0569 0.0608 0.0608 6.4100 6.4100 6.4143 6.4143 7.0054 7.0054 7.0095 7.0095 k = 0.1670-0.5645 1.1040 ( 4398 PWs) bands (ev): -26.9157 -26.9157 -26.9157 -26.9157 -15.3259 -15.3259 -15.3254 -15.3254 -10.6597 -10.6597 -10.6329 -10.6329 -10.4186 -10.4186 -10.3969 -10.3969 -10.3565 -10.3565 -10.3462 -10.3462 -3.0569 -3.0569 -3.0545 -3.0545 -1.5664 -1.5664 -1.5629 -1.5629 -1.4460 -1.4460 -1.4430 -1.4430 0.0555 0.0555 0.0594 0.0594 6.3976 6.3976 6.4019 6.4019 6.9893 6.9893 6.9935 6.9935 k = 0.1597-0.5400 1.1040 ( 4394 PWs) bands (ev): -26.9156 -26.9156 -26.9156 -26.9156 -15.3259 -15.3259 -15.3254 -15.3254 -10.6599 -10.6599 -10.6337 -10.6337 -10.4192 -10.4192 -10.3977 -10.3977 -10.3557 -10.3557 -10.3461 -10.3461 -3.0531 -3.0531 -3.0507 -3.0507 -1.5722 -1.5722 -1.5690 -1.5690 -1.4439 -1.4439 -1.4412 -1.4412 0.0536 0.0536 0.0574 0.0574 6.3822 6.3822 6.3864 6.3864 6.9748 6.9748 6.9790 6.9790 k = 0.1525-0.5154 1.1040 ( 4394 PWs) bands (ev): -26.9155 -26.9155 -26.9155 -26.9155 -15.3259 -15.3259 -15.3254 -15.3254 -10.6599 -10.6599 -10.6345 -10.6345 -10.4198 -10.4198 -10.3985 -10.3985 -10.3549 -10.3549 -10.3459 -10.3459 -3.0492 -3.0492 -3.0468 -3.0468 -1.5784 -1.5784 -1.5754 -1.5754 -1.4413 -1.4413 -1.4388 -1.4388 0.0511 0.0511 0.0549 0.0549 6.3638 6.3638 6.3678 6.3678 6.9622 6.9622 6.9664 6.9664 k = 0.1452-0.4909 1.1040 ( 4392 PWs) bands (ev): -26.9155 -26.9155 -26.9155 -26.9155 -15.3259 -15.3258 -15.3254 -15.3254 -10.6599 -10.6599 -10.6352 -10.6352 -10.4202 -10.4202 -10.3992 -10.3991 -10.3540 -10.3540 -10.3457 -10.3456 -3.0452 -3.0452 -3.0429 -3.0429 -1.5847 -1.5847 -1.5820 -1.5820 -1.4381 -1.4381 -1.4358 -1.4358 0.0481 0.0481 0.0519 0.0519 6.3425 6.3425 6.3463 6.3463 6.9517 6.9517 6.9558 6.9558 k = 0.1380-0.4663 1.1040 ( 4392 PWs) bands (ev): -26.9154 -26.9154 -26.9154 -26.9154 -15.3259 -15.3259 -15.3254 -15.3254 -10.6599 -10.6598 -10.6359 -10.6359 -10.4206 -10.4206 -10.3998 -10.3998 -10.3532 -10.3532 -10.3454 -10.3453 -3.0412 -3.0412 -3.0390 -3.0390 -1.5912 -1.5912 -1.5886 -1.5886 -1.4345 -1.4345 -1.4324 -1.4324 0.0446 0.0446 0.0484 0.0484 6.3186 6.3186 6.3222 6.3222 6.9433 6.9433 6.9474 6.9474 k = 0.1307-0.4418 1.1040 ( 4392 PWs) bands (ev): -26.9154 -26.9154 -26.9154 -26.9154 -15.3259 -15.3259 -15.3254 -15.3254 -10.6597 -10.6597 -10.6366 -10.6366 -10.4208 -10.4208 -10.4004 -10.4004 -10.3523 -10.3523 -10.3450 -10.3450 -3.0373 -3.0373 -3.0351 -3.0351 -1.5977 -1.5977 -1.5953 -1.5953 -1.4306 -1.4306 -1.4287 -1.4287 0.0408 0.0408 0.0445 0.0445 6.2925 6.2925 6.2959 6.2959 6.9371 6.9371 6.9411 6.9411 k = 0.1234-0.4173 1.1040 ( 4394 PWs) bands (ev): -26.9153 -26.9153 -26.9153 -26.9153 -15.3259 -15.3259 -15.3255 -15.3255 -10.6595 -10.6595 -10.6373 -10.6373 -10.4209 -10.4209 -10.4009 -10.4009 -10.3515 -10.3515 -10.3446 -10.3446 -3.0333 -3.0333 -3.0312 -3.0312 -1.6042 -1.6042 -1.6020 -1.6020 -1.4264 -1.4264 -1.4246 -1.4246 0.0366 0.0366 0.0402 0.0402 6.2648 6.2648 6.2679 6.2679 6.9328 6.9328 6.9366 6.9366 k = 0.1162-0.3927 1.1040 ( 4382 PWs) bands (ev): -26.9153 -26.9153 -26.9153 -26.9153 -15.3259 -15.3259 -15.3255 -15.3255 -10.6592 -10.6592 -10.6380 -10.6380 -10.4208 -10.4208 -10.4014 -10.4014 -10.3506 -10.3506 -10.3442 -10.3442 -3.0294 -3.0294 -3.0274 -3.0274 -1.6107 -1.6106 -1.6086 -1.6086 -1.4220 -1.4220 -1.4204 -1.4204 0.0322 0.0322 0.0357 0.0357 6.2358 6.2358 6.2387 6.2387 6.9302 6.9302 6.9339 6.9339 k = 0.1089-0.3682 1.1040 ( 4380 PWs) bands (ev): -26.9152 -26.9152 -26.9152 -26.9152 -15.3260 -15.3260 -15.3256 -15.3256 -10.6588 -10.6588 -10.6386 -10.6386 -10.4207 -10.4207 -10.4019 -10.4019 -10.3498 -10.3498 -10.3438 -10.3438 -3.0256 -3.0256 -3.0237 -3.0237 -1.6170 -1.6169 -1.6150 -1.6150 -1.4175 -1.4175 -1.4159 -1.4159 0.0276 0.0276 0.0311 0.0311 6.2061 6.2061 6.2088 6.2088 6.9290 6.9290 6.9326 6.9326 k = 0.1017-0.3436 1.1040 ( 4376 PWs) bands (ev): -26.9152 -26.9152 -26.9152 -26.9152 -15.3260 -15.3260 -15.3256 -15.3256 -10.6584 -10.6584 -10.6393 -10.6393 -10.4205 -10.4205 -10.4024 -10.4023 -10.3490 -10.3490 -10.3433 -10.3433 -3.0219 -3.0219 -3.0201 -3.0201 -1.6231 -1.6231 -1.6212 -1.6212 -1.4129 -1.4129 -1.4114 -1.4114 0.0229 0.0229 0.0262 0.0262 6.1762 6.1762 6.1787 6.1787 6.9290 6.9290 6.9325 6.9325 k = 0.0944-0.3191 1.1040 ( 4378 PWs) bands (ev): -26.9152 -26.9152 -26.9152 -26.9152 -15.3260 -15.3260 -15.3257 -15.3257 -10.6580 -10.6580 -10.6400 -10.6399 -10.4201 -10.4201 -10.4028 -10.4028 -10.3482 -10.3482 -10.3429 -10.3429 -3.0183 -3.0183 -3.0166 -3.0166 -1.6290 -1.6289 -1.6273 -1.6272 -1.4083 -1.4083 -1.4069 -1.4069 0.0181 0.0181 0.0213 0.0213 6.1466 6.1466 6.1489 6.1489 6.9300 6.9300 6.9333 6.9333 k = 0.0871-0.2945 1.1040 ( 4370 PWs) bands (ev): -26.9151 -26.9151 -26.9151 -26.9151 -15.3261 -15.3261 -15.3258 -15.3258 -10.6575 -10.6575 -10.6406 -10.6406 -10.4197 -10.4197 -10.4032 -10.4032 -10.3475 -10.3475 -10.3425 -10.3425 -3.0149 -3.0149 -3.0132 -3.0132 -1.6346 -1.6346 -1.6330 -1.6330 -1.4037 -1.4037 -1.4024 -1.4024 0.0134 0.0134 0.0164 0.0164 6.1177 6.1177 6.1198 6.1198 6.9316 6.9316 6.9349 6.9349 k = 0.0799-0.2700 1.1040 ( 4364 PWs) bands (ev): -26.9151 -26.9151 -26.9151 -26.9151 -15.3261 -15.3261 -15.3258 -15.3258 -10.6570 -10.6570 -10.6413 -10.6413 -10.4191 -10.4191 -10.4037 -10.4037 -10.3468 -10.3468 -10.3421 -10.3421 -3.0116 -3.0116 -3.0101 -3.0101 -1.6398 -1.6398 -1.6384 -1.6384 -1.3992 -1.3992 -1.3980 -1.3980 0.0087 0.0087 0.0116 0.0116 6.0899 6.0899 6.0917 6.0917 6.9337 6.9337 6.9369 6.9369 k = 0.0726-0.2454 1.1040 ( 4366 PWs) bands (ev): -26.9151 -26.9151 -26.9151 -26.9151 -15.3262 -15.3262 -15.3259 -15.3259 -10.6564 -10.6564 -10.6419 -10.6419 -10.4185 -10.4185 -10.4041 -10.4041 -10.3461 -10.3461 -10.3417 -10.3417 -3.0086 -3.0086 -3.0071 -3.0071 -1.6448 -1.6448 -1.6435 -1.6435 -1.3950 -1.3949 -1.3938 -1.3938 0.0041 0.0041 0.0070 0.0070 6.0635 6.0635 6.0651 6.0651 6.9362 6.9362 6.9392 6.9392 k = 0.0654-0.2209 1.1040 ( 4370 PWs) bands (ev): -26.9151 -26.9151 -26.9151 -26.9151 -15.3262 -15.3262 -15.3260 -15.3260 -10.6558 -10.6558 -10.6426 -10.6426 -10.4179 -10.4179 -10.4046 -10.4046 -10.3455 -10.3455 -10.3414 -10.3414 -3.0058 -3.0058 -3.0044 -3.0044 -1.6494 -1.6494 -1.6481 -1.6481 -1.3909 -1.3909 -1.3899 -1.3899 -0.0002 -0.0002 0.0025 0.0025 6.0387 6.0387 6.0403 6.0403 6.9388 6.9388 6.9417 6.9417 k = 0.0581-0.1964 1.1040 ( 4372 PWs) bands (ev): -26.9151 -26.9151 -26.9151 -26.9151 -15.3263 -15.3263 -15.3261 -15.3261 -10.6552 -10.6552 -10.6433 -10.6433 -10.4172 -10.4172 -10.4051 -10.4051 -10.3449 -10.3449 -10.3412 -10.3412 -3.0032 -3.0032 -3.0019 -3.0019 -1.6535 -1.6535 -1.6524 -1.6524 -1.3871 -1.3871 -1.3861 -1.3861 -0.0043 -0.0043 -0.0017 -0.0017 6.0160 6.0160 6.0174 6.0174 6.9415 6.9415 6.9443 6.9443 k = 0.0508-0.1718 1.1040 ( 4384 PWs) bands (ev): -26.9151 -26.9151 -26.9151 -26.9151 -15.3263 -15.3263 -15.3261 -15.3261 -10.6546 -10.6546 -10.6440 -10.6440 -10.4164 -10.4164 -10.4056 -10.4056 -10.3443 -10.3443 -10.3410 -10.3410 -3.0009 -3.0009 -2.9997 -2.9997 -1.6573 -1.6573 -1.6563 -1.6563 -1.3836 -1.3836 -1.3828 -1.3828 -0.0080 -0.0080 -0.0056 -0.0056 5.9955 5.9955 5.9967 5.9967 6.9440 6.9440 6.9467 6.9467 k = 0.0436-0.1473 1.1040 ( 4386 PWs) bands (ev): -26.9151 -26.9151 -26.9151 -26.9151 -15.3264 -15.3264 -15.3262 -15.3262 -10.6539 -10.6539 -10.6447 -10.6447 -10.4156 -10.4156 -10.4062 -10.4062 -10.3438 -10.3438 -10.3408 -10.3408 -2.9988 -2.9988 -2.9978 -2.9978 -1.6606 -1.6606 -1.6596 -1.6596 -1.3805 -1.3804 -1.3797 -1.3797 -0.0114 -0.0114 -0.0091 -0.0091 5.9773 5.9773 5.9784 5.9784 6.9464 6.9464 6.9490 6.9490 k = 0.0363-0.1227 1.1040 ( 4394 PWs) bands (ev): -26.9151 -26.9151 -26.9151 -26.9151 -15.3264 -15.3264 -15.3263 -15.3263 -10.6533 -10.6533 -10.6454 -10.6454 -10.4148 -10.4148 -10.4068 -10.4068 -10.3433 -10.3433 -10.3408 -10.3408 -2.9971 -2.9970 -2.9961 -2.9961 -1.6634 -1.6634 -1.6625 -1.6625 -1.3777 -1.3777 -1.3771 -1.3771 -0.0143 -0.0143 -0.0121 -0.0121 5.9616 5.9616 5.9626 5.9626 6.9485 6.9485 6.9511 6.9511 k = 0.0290-0.0982 1.1040 ( 4394 PWs) bands (ev): -26.9151 -26.9151 -26.9151 -26.9151 -15.3264 -15.3264 -15.3263 -15.3263 -10.6526 -10.6526 -10.6460 -10.6460 -10.4140 -10.4140 -10.4074 -10.4074 -10.3428 -10.3428 -10.3407 -10.3407 -2.9956 -2.9956 -2.9947 -2.9947 -1.6657 -1.6657 -1.6649 -1.6649 -1.3754 -1.3754 -1.3749 -1.3749 -0.0167 -0.0167 -0.0147 -0.0147 5.9487 5.9487 5.9496 5.9496 6.9504 6.9504 6.9529 6.9529 k = 0.0218-0.0736 1.1040 ( 4390 PWs) bands (ev): -26.9151 -26.9151 -26.9151 -26.9151 -15.3265 -15.3265 -15.3264 -15.3264 -10.6520 -10.6520 -10.6467 -10.6467 -10.4132 -10.4132 -10.4080 -10.4080 -10.3424 -10.3424 -10.3408 -10.3408 -2.9944 -2.9944 -2.9936 -2.9936 -1.6675 -1.6675 -1.6668 -1.6668 -1.3736 -1.3736 -1.3732 -1.3732 -0.0187 -0.0187 -0.0167 -0.0167 5.9385 5.9385 5.9393 5.9393 6.9519 6.9519 6.9543 6.9543 k = 0.0145-0.0491 1.1040 ( 4396 PWs) bands (ev): -26.9152 -26.9152 -26.9151 -26.9151 -15.3265 -15.3265 -15.3264 -15.3264 -10.6514 -10.6514 -10.6473 -10.6472 -10.4125 -10.4125 -10.4086 -10.4086 -10.3421 -10.3421 -10.3408 -10.3408 -2.9936 -2.9936 -2.9929 -2.9929 -1.6688 -1.6688 -1.6682 -1.6682 -1.3722 -1.3722 -1.3720 -1.3719 -0.0201 -0.0201 -0.0182 -0.0182 5.9312 5.9312 5.9319 5.9319 6.9529 6.9529 6.9553 6.9553 k = 0.0073-0.0245 1.1040 ( 4404 PWs) bands (ev): -26.9152 -26.9152 -26.9152 -26.9152 -15.3265 -15.3265 -15.3264 -15.3264 -10.6510 -10.6510 -10.6477 -10.6477 -10.4119 -10.4119 -10.4091 -10.4091 -10.3418 -10.3418 -10.3409 -10.3409 -2.9931 -2.9931 -2.9924 -2.9924 -1.6695 -1.6695 -1.6690 -1.6690 -1.3714 -1.3714 -1.3712 -1.3712 -0.0209 -0.0209 -0.0191 -0.0191 5.9267 5.9267 5.9275 5.9275 6.9536 6.9536 6.9560 6.9560 k = 0.0000 0.0000 1.1040 ( 4412 PWs) bands (ev): -26.9152 -26.9152 -26.9152 -26.9152 -15.3265 -15.3265 -15.3264 -15.3264 -10.6508 -10.6508 -10.6479 -10.6479 -10.4116 -10.4116 -10.4094 -10.4094 -10.3417 -10.3417 -10.3410 -10.3410 -2.9929 -2.9929 -2.9923 -2.9923 -1.6698 -1.6698 -1.6693 -1.6693 -1.3711 -1.3711 -1.3710 -1.3710 -0.0212 -0.0212 -0.0194 -0.0194 5.9253 5.9253 5.9260 5.9260 6.9538 6.9538 6.9562 6.9562 k = 0.0000 0.0000 1.1040 ( 4412 PWs) bands (ev): -26.9152 -26.9152 -26.9152 -26.9152 -15.3265 -15.3265 -15.3264 -15.3264 -10.6508 -10.6508 -10.6479 -10.6479 -10.4116 -10.4116 -10.4094 -10.4094 -10.3417 -10.3417 -10.3410 -10.3410 -2.9929 -2.9929 -2.9923 -2.9923 -1.6698 -1.6698 -1.6693 -1.6693 -1.3711 -1.3711 -1.3710 -1.3710 -0.0212 -0.0212 -0.0194 -0.0194 5.9253 5.9253 5.9260 5.9260 6.9538 6.9538 6.9562 6.9562 k = 0.0247 0.0073 1.1040 ( 4407 PWs) bands (ev): -26.9153 -26.9153 -26.9151 -26.9151 -15.3274 -15.3274 -15.3256 -15.3255 -10.6529 -10.6503 -10.6486 -10.6455 -10.4136 -10.4114 -10.4096 -10.4073 -10.3430 -10.3419 -10.3405 -10.3401 -2.9981 -2.9974 -2.9879 -2.9872 -1.6795 -1.6790 -1.6600 -1.6595 -1.3730 -1.3729 -1.3690 -1.3689 -0.0251 -0.0233 -0.0176 -0.0158 5.8675 5.8681 5.9843 5.9850 6.9521 6.9545 6.9554 6.9577 k = 0.0494 0.0146 1.1040 ( 4401 PWs) bands (ev): -26.9153 -26.9153 -26.9150 -26.9150 -15.3283 -15.3283 -15.3246 -15.3246 -10.6550 -10.6526 -10.6464 -10.6432 -10.4155 -10.4134 -10.4075 -10.4052 -10.3443 -10.3429 -10.3394 -10.3392 -3.0033 -3.0026 -2.9829 -2.9822 -1.6890 -1.6885 -1.6500 -1.6496 -1.3747 -1.3745 -1.3666 -1.3665 -0.0293 -0.0275 -0.0144 -0.0125 5.8112 5.8118 6.0442 6.0450 6.9503 6.9527 6.9567 6.9590 k = 0.0741 0.0219 1.1040 ( 4403 PWs) bands (ev): -26.9154 -26.9154 -26.9149 -26.9149 -15.3292 -15.3292 -15.3237 -15.3237 -10.6571 -10.6550 -10.6443 -10.6408 -10.4173 -10.4154 -10.4053 -10.4030 -10.3457 -10.3439 -10.3384 -10.3383 -3.0084 -3.0078 -2.9781 -2.9774 -1.6982 -1.6977 -1.6401 -1.6397 -1.3760 -1.3759 -1.3642 -1.3641 -0.0337 -0.0319 -0.0114 -0.0096 5.7567 5.7572 6.1046 6.1055 6.9485 6.9509 6.9578 6.9600 k = 0.0988 0.0292 1.1040 ( 4403 PWs) bands (ev): -26.9155 -26.9155 -26.9148 -26.9148 -15.3301 -15.3300 -15.3229 -15.3228 -10.6591 -10.6573 -10.6421 -10.6385 -10.4190 -10.4174 -10.4031 -10.4009 -10.3471 -10.3450 -10.3377 -10.3373 -3.0135 -3.0129 -2.9735 -2.9728 -1.7071 -1.7066 -1.6304 -1.6299 -1.3770 -1.3769 -1.3616 -1.3615 -0.0383 -0.0366 -0.0089 -0.0071 5.7042 5.7047 6.1652 6.1661 6.9468 6.9492 6.9585 6.9607 k = 0.1236 0.0366 1.1040 ( 4391 PWs) bands (ev): -26.9156 -26.9156 -26.9147 -26.9147 -15.3310 -15.3309 -15.3220 -15.3220 -10.6610 -10.6595 -10.6399 -10.6363 -10.4207 -10.4192 -10.4008 -10.3988 -10.3485 -10.3460 -10.3369 -10.3363 -3.0186 -3.0179 -2.9690 -2.9684 -1.7156 -1.7152 -1.6208 -1.6203 -1.3776 -1.3775 -1.3590 -1.3589 -0.0430 -0.0413 -0.0067 -0.0050 5.6540 5.6545 6.2255 6.2265 6.9454 6.9478 6.9589 6.9610 k = 0.1483 0.0439 1.1040 ( 4393 PWs) bands (ev): -26.9157 -26.9157 -26.9146 -26.9146 -15.3318 -15.3317 -15.3211 -15.3211 -10.6629 -10.6618 -10.6378 -10.6341 -10.4222 -10.4211 -10.3985 -10.3966 -10.3500 -10.3471 -10.3362 -10.3354 -3.0235 -3.0229 -2.9649 -2.9642 -1.7238 -1.7233 -1.6115 -1.6111 -1.3779 -1.3777 -1.3563 -1.3562 -0.0478 -0.0462 -0.0048 -0.0032 5.6062 5.6067 6.2851 6.2861 6.9444 6.9467 6.9588 6.9609 k = 0.1730 0.0512 1.1040 ( 4389 PWs) bands (ev): -26.9157 -26.9157 -26.9146 -26.9146 -15.3326 -15.3326 -15.3203 -15.3203 -10.6647 -10.6639 -10.6358 -10.6319 -10.4236 -10.4228 -10.3962 -10.3946 -10.3515 -10.3482 -10.3355 -10.3346 -3.0282 -3.0276 -2.9609 -2.9603 -1.7315 -1.7311 -1.6026 -1.6022 -1.3777 -1.3776 -1.3536 -1.3536 -0.0526 -0.0510 -0.0034 -0.0018 5.5611 5.5615 6.3434 6.3444 6.9439 6.9461 6.9584 6.9603 k = 0.1977 0.0585 1.1040 ( 4377 PWs) bands (ev): -26.9158 -26.9158 -26.9145 -26.9145 -15.3334 -15.3333 -15.3196 -15.3196 -10.6664 -10.6660 -10.6337 -10.6299 -10.4249 -10.4245 -10.3939 -10.3925 -10.3530 -10.3493 -10.3349 -10.3338 -3.0327 -3.0321 -2.9573 -2.9567 -1.7387 -1.7383 -1.5942 -1.5938 -1.3771 -1.3770 -1.3510 -1.3509 -0.0573 -0.0558 -0.0022 -0.0007 5.5188 5.5192 6.3999 6.4009 6.9441 6.9462 6.9575 6.9593 k = 0.2224 0.0658 1.1040 ( 4380 PWs) bands (ev): -26.9159 -26.9159 -26.9144 -26.9144 -15.3341 -15.3341 -15.3188 -15.3188 -10.6680 -10.6680 -10.6318 -10.6279 -10.4261 -10.4261 -10.3916 -10.3904 -10.3545 -10.3504 -10.3343 -10.3331 -3.0369 -3.0364 -2.9539 -2.9534 -1.7456 -1.7452 -1.5863 -1.5860 -1.3762 -1.3761 -1.3485 -1.3484 -0.0618 -0.0605 -0.0015 -0.0000 5.4795 5.4798 6.4539 6.4550 6.9451 6.9471 6.9563 6.9579 k = 0.2471 0.0731 1.1040 ( 4370 PWs) bands (ev): -26.9160 -26.9160 -26.9143 -26.9143 -15.3348 -15.3348 -15.3181 -15.3181 -10.6700 -10.6695 -10.6300 -10.6260 -10.4276 -10.4272 -10.3893 -10.3884 -10.3560 -10.3515 -10.3338 -10.3325 -3.0408 -3.0403 -2.9509 -2.9504 -1.7519 -1.7516 -1.5790 -1.5788 -1.3749 -1.3748 -1.3460 -1.3460 -0.0662 -0.0649 -0.0010 0.0003 5.4433 5.4436 6.5049 6.5060 6.9471 6.9491 6.9546 6.9562 k = 0.2718 0.0804 1.1040 ( 4374 PWs) bands (ev): -26.9160 -26.9160 -26.9143 -26.9143 -15.3355 -15.3354 -15.3175 -15.3175 -10.6718 -10.6708 -10.6282 -10.6243 -10.4291 -10.4282 -10.3870 -10.3865 -10.3575 -10.3527 -10.3333 -10.3319 -3.0444 -3.0440 -2.9482 -2.9477 -1.7578 -1.7575 -1.5724 -1.5721 -1.3734 -1.3733 -1.3437 -1.3437 -0.0702 -0.0690 -0.0008 0.0004 5.4103 5.4105 6.5523 6.5533 6.9502 6.9520 6.9528 6.9542 k = 0.2965 0.0877 1.1040 ( 4376 PWs) bands (ev): -26.9161 -26.9161 -26.9142 -26.9142 -15.3361 -15.3360 -15.3169 -15.3169 -10.6735 -10.6721 -10.6266 -10.6226 -10.4305 -10.4290 -10.3848 -10.3846 -10.3590 -10.3538 -10.3328 -10.3314 -3.0476 -3.0472 -2.9458 -2.9454 -1.7632 -1.7629 -1.5664 -1.5662 -1.3717 -1.3716 -1.3416 -1.3415 -0.0738 -0.0728 -0.0010 0.0001 5.3806 5.3808 6.5953 6.5962 6.9499 6.9512 6.9551 6.9567 k = 0.3212 0.0950 1.1040 ( 4373 PWs) bands (ev): -26.9162 -26.9162 -26.9141 -26.9141 -15.3367 -15.3366 -15.3164 -15.3163 -10.6752 -10.6732 -10.6251 -10.6211 -10.4318 -10.4298 -10.3828 -10.3826 -10.3605 -10.3549 -10.3323 -10.3309 -3.0504 -3.0500 -2.9437 -2.9434 -1.7681 -1.7678 -1.5610 -1.5609 -1.3699 -1.3698 -1.3396 -1.3396 -0.0769 -0.0760 -0.0014 -0.0004 5.3544 5.3546 6.6334 6.6343 6.9473 6.9484 6.9608 6.9623 k = 0.3460 0.1023 1.1040 ( 4378 PWs) bands (ev): -26.9163 -26.9163 -26.9141 -26.9141 -15.3372 -15.3371 -15.3159 -15.3158 -10.6767 -10.6742 -10.6237 -10.6198 -10.4330 -10.4305 -10.3810 -10.3805 -10.3619 -10.3559 -10.3319 -10.3306 -3.0527 -3.0524 -2.9421 -2.9418 -1.7725 -1.7723 -1.5563 -1.5562 -1.3681 -1.3681 -1.3378 -1.3378 -0.0794 -0.0787 -0.0020 -0.0011 5.3317 5.3318 6.6663 6.6671 6.9442 6.9452 6.9678 6.9690 k = 0.3707 0.1097 1.1040 ( 4381 PWs) bands (ev): -26.9163 -26.9163 -26.9140 -26.9140 -15.3376 -15.3375 -15.3155 -15.3154 -10.6780 -10.6751 -10.6224 -10.6185 -10.4341 -10.4310 -10.3794 -10.3785 -10.3632 -10.3569 -10.3316 -10.3302 -3.0546 -3.0544 -2.9407 -2.9405 -1.7764 -1.7763 -1.5521 -1.5521 -1.3665 -1.3665 -1.3363 -1.3362 -0.0814 -0.0808 -0.0029 -0.0021 5.3126 5.3127 6.6939 6.6945 6.9409 6.9417 6.9755 6.9765 k = 0.3954 0.1170 1.1040 ( 4384 PWs) bands (ev): -26.9164 -26.9164 -26.9140 -26.9140 -15.3380 -15.3379 -15.3151 -15.3151 -10.6793 -10.6758 -10.6214 -10.6175 -10.4351 -10.4315 -10.3778 -10.3766 -10.3644 -10.3579 -10.3312 -10.3299 -3.0560 -3.0558 -2.9398 -2.9396 -1.7799 -1.7798 -1.5485 -1.5485 -1.3652 -1.3652 -1.3349 -1.3349 -0.0827 -0.0823 -0.0040 -0.0033 5.2971 5.2971 6.7162 6.7166 6.9374 6.9379 6.9833 6.9840 k = 0.4201 0.1243 1.1040 ( 4388 PWs) bands (ev): -26.9165 -26.9165 -26.9140 -26.9140 -15.3383 -15.3382 -15.3148 -15.3148 -10.6804 -10.6764 -10.6204 -10.6165 -10.4360 -10.4318 -10.3763 -10.3750 -10.3655 -10.3588 -10.3309 -10.3297 -3.0569 -3.0568 -2.9392 -2.9391 -1.7829 -1.7828 -1.5454 -1.5454 -1.3643 -1.3642 -1.3339 -1.3338 -0.0832 -0.0830 -0.0053 -0.0047 5.2853 5.2853 6.7336 6.7338 6.9336 6.9340 6.9904 6.9909 k = 0.4448 0.1316 1.1040 ( 4389 PWs) bands (ev): -26.9165 -26.9165 -26.9139 -26.9139 -15.3386 -15.3385 -15.3146 -15.3145 -10.6814 -10.6768 -10.6196 -10.6158 -10.4369 -10.4321 -10.3750 -10.3737 -10.3661 -10.3596 -10.3307 -10.3295 -3.0573 -3.0572 -2.9390 -2.9389 -1.7853 -1.7853 -1.5428 -1.5428 -1.3638 -1.3637 -1.3330 -1.3330 -0.0830 -0.0830 -0.0067 -0.0063 5.2772 5.2772 6.7464 6.7465 6.9296 6.9299 6.9960 6.9963 k = 0.4695 0.1389 1.1040 ( 4390 PWs) bands (ev): -26.9166 -26.9166 -26.9139 -26.9139 -15.3388 -15.3387 -15.3144 -15.3143 -10.6822 -10.6771 -10.6190 -10.6152 -10.4376 -10.4322 -10.3738 -10.3731 -10.3662 -10.3603 -10.3304 -10.3294 -3.0572 -3.0571 -2.9392 -2.9391 -1.7873 -1.7873 -1.5407 -1.5406 -1.3638 -1.3636 -1.3325 -1.3325 -0.0822 -0.0821 -0.0083 -0.0080 5.2728 5.2729 6.7549 6.7550 6.9255 6.9256 6.9995 6.9995 k = 0.4942 0.1462 1.1040 ( 4388 PWs) bands (ev): -26.9166 -26.9166 -26.9139 -26.9139 -15.3389 -15.3388 -15.3143 -15.3142 -10.6828 -10.6772 -10.6186 -10.6147 -10.4382 -10.4322 -10.3732 -10.3729 -10.3655 -10.3607 -10.3302 -10.3293 -3.0566 -3.0565 -2.9397 -2.9396 -1.7888 -1.7888 -1.5389 -1.5388 -1.3643 -1.3641 -1.3322 -1.3322 -0.0807 -0.0803 -0.0101 -0.0100 5.2722 5.2723 6.7594 6.7596 6.9212 6.9213 7.0003 7.0005 k = 0.5189 0.1535 1.1040 ( 4388 PWs) bands (ev): -26.9166 -26.9166 -26.9139 -26.9139 -15.3389 -15.3389 -15.3143 -15.3142 -10.6833 -10.6771 -10.6183 -10.6145 -10.4387 -10.4322 -10.3738 -10.3724 -10.3643 -10.3608 -10.3301 -10.3293 -3.0554 -3.0554 -2.9407 -2.9405 -1.7898 -1.7898 -1.5375 -1.5374 -1.3654 -1.3652 -1.3322 -1.3322 -0.0784 -0.0779 -0.0120 -0.0120 5.2753 5.2755 6.7597 6.7601 6.9166 6.9169 6.9985 6.9989 k = 0.5436 0.1608 1.1040 ( 4381 PWs) bands (ev): -26.9167 -26.9167 -26.9138 -26.9138 -15.3389 -15.3388 -15.3143 -15.3142 -10.6836 -10.6769 -10.6182 -10.6144 -10.4391 -10.4320 -10.3747 -10.3721 -10.3629 -10.3606 -10.3300 -10.3292 -3.0538 -3.0538 -2.9420 -2.9418 -1.7903 -1.7902 -1.5366 -1.5364 -1.3670 -1.3668 -1.3324 -1.3324 -0.0754 -0.0747 -0.0142 -0.0140 5.2821 5.2824 6.7556 6.7561 6.9120 6.9124 6.9948 6.9954 k = 0.5683 0.1681 1.1040 ( 4388 PWs) bands (ev): -26.9167 -26.9167 -26.9139 -26.9139 -15.3389 -15.3388 -15.3145 -15.3143 -10.6838 -10.6766 -10.6183 -10.6145 -10.4394 -10.4317 -10.3758 -10.3723 -10.3614 -10.3601 -10.3300 -10.3293 -3.0518 -3.0516 -2.9436 -2.9434 -1.7903 -1.7901 -1.5361 -1.5359 -1.3691 -1.3688 -1.3329 -1.3329 -0.0717 -0.0709 -0.0165 -0.0163 5.2927 5.2930 6.7463 6.7469 6.9072 6.9079 6.9898 6.9906 k = 0.5931 0.1754 1.1040 ( 4384 PWs) bands (ev): -26.9167 -26.9167 -26.9138 -26.9138 -15.3387 -15.3386 -15.3146 -15.3145 -10.6837 -10.6760 -10.6185 -10.6147 -10.4396 -10.4313 -10.3769 -10.3728 -10.3599 -10.3592 -10.3300 -10.3294 -3.0492 -3.0491 -2.9456 -2.9453 -1.7897 -1.7895 -1.5360 -1.5357 -1.3716 -1.3713 -1.3337 -1.3337 -0.0674 -0.0664 -0.0190 -0.0186 5.3069 5.3073 6.7312 6.7318 6.9024 6.9033 6.9846 6.9857 k = 0.6178 0.1828 1.1040 ( 4384 PWs) bands (ev): -26.9168 -26.9168 -26.9138 -26.9138 -15.3385 -15.3384 -15.3149 -15.3147 -10.6836 -10.6754 -10.6189 -10.6151 -10.4396 -10.4309 -10.3780 -10.3735 -10.3585 -10.3582 -10.3301 -10.3295 -3.0462 -3.0460 -2.9480 -2.9476 -1.7885 -1.7882 -1.5365 -1.5361 -1.3743 -1.3740 -1.3347 -1.3346 -0.0626 -0.0615 -0.0216 -0.0211 5.3248 5.3251 6.7096 6.7104 6.8976 6.8985 6.9802 6.9814 k = 0.6425 0.1901 1.1040 ( 4389 PWs) bands (ev): -26.9168 -26.9168 -26.9139 -26.9139 -15.3383 -15.3382 -15.3152 -15.3150 -10.6832 -10.6746 -10.6195 -10.6156 -10.4396 -10.4303 -10.3792 -10.3744 -10.3570 -10.3570 -10.3303 -10.3297 -3.0429 -3.0426 -2.9507 -2.9502 -1.7867 -1.7864 -1.5375 -1.5371 -1.3772 -1.3769 -1.3359 -1.3359 -0.0574 -0.0561 -0.0244 -0.0237 5.3462 5.3466 6.6815 6.6823 6.8926 6.8938 6.9772 6.9786 k = 0.6672 0.1974 1.1040 ( 4389 PWs) bands (ev): -26.9168 -26.9168 -26.9139 -26.9139 -15.3379 -15.3378 -15.3155 -15.3154 -10.6827 -10.6736 -10.6202 -10.6163 -10.4394 -10.4296 -10.3804 -10.3755 -10.3558 -10.3556 -10.3305 -10.3300 -3.0391 -3.0388 -2.9537 -2.9532 -1.7843 -1.7840 -1.5391 -1.5387 -1.3801 -1.3798 -1.3373 -1.3373 -0.0518 -0.0503 -0.0273 -0.0265 5.3711 5.3715 6.6470 6.6478 6.8877 6.8890 6.9760 6.9775 k = 0.5000 0.1479-1.1810 ( 4400 PWs) bands (ev): -26.9165 -26.9165 -26.9138 -26.9138 -15.3390 -15.3390 -15.3139 -15.3139 -10.6814 -10.6814 -10.6168 -10.6168 -10.4365 -10.4365 -10.3731 -10.3731 -10.3637 -10.3637 -10.3301 -10.3301 -3.0575 -3.0575 -2.9377 -2.9377 -1.7943 -1.7943 -1.5387 -1.5387 -1.3641 -1.3641 -1.3325 -1.3325 -0.0785 -0.0785 -0.0066 -0.0066 5.2659 5.2659 6.7662 6.7662 6.9197 6.9197 7.0125 7.0125 k = 0.5072 0.1234-1.1810 ( 4394 PWs) bands (ev): -26.9165 -26.9165 -26.9138 -26.9138 -15.3390 -15.3390 -15.3139 -15.3139 -10.6818 -10.6810 -10.6170 -10.6167 -10.4368 -10.4361 -10.3739 -10.3723 -10.3639 -10.3635 -10.3302 -10.3302 -3.0576 -3.0575 -2.9378 -2.9378 -1.7940 -1.7939 -1.5386 -1.5385 -1.3645 -1.3640 -1.3333 -1.3327 -0.0782 -0.0779 -0.0065 -0.0062 5.2677 5.2678 6.7656 6.7664 6.9199 6.9207 7.0126 7.0129 k = 0.5145 0.0990-1.1810 ( 4392 PWs) bands (ev): -26.9165 -26.9165 -26.9138 -26.9138 -15.3389 -15.3389 -15.3140 -15.3139 -10.6820 -10.6805 -10.6173 -10.6166 -10.4370 -10.4356 -10.3747 -10.3716 -10.3641 -10.3632 -10.3305 -10.3304 -3.0580 -3.0578 -2.9382 -2.9381 -1.7932 -1.7930 -1.5383 -1.5381 -1.3653 -1.3644 -1.3350 -1.3337 -0.0770 -0.0764 -0.0057 -0.0052 5.2733 5.2734 6.7645 6.7661 6.9214 6.9229 7.0134 7.0139 k = 0.5217 0.0745-1.1810 ( 4394 PWs) bands (ev): -26.9165 -26.9165 -26.9138 -26.9138 -15.3387 -15.3387 -15.3141 -15.3140 -10.6823 -10.6799 -10.6176 -10.6166 -10.4372 -10.4351 -10.3756 -10.3710 -10.3643 -10.3630 -10.3310 -10.3309 -3.0587 -3.0583 -2.9388 -2.9387 -1.7917 -1.7914 -1.5377 -1.5373 -1.3666 -1.3652 -1.3376 -1.3357 -0.0749 -0.0740 -0.0045 -0.0037 5.2825 5.2827 6.7630 6.7651 6.9239 6.9262 7.0150 7.0157 k = 0.5290 0.0500-1.1810 ( 4392 PWs) bands (ev): -26.9165 -26.9165 -26.9138 -26.9138 -15.3385 -15.3385 -15.3143 -15.3142 -10.6824 -10.6793 -10.6180 -10.6167 -10.4373 -10.4345 -10.3765 -10.3705 -10.3645 -10.3628 -10.3316 -10.3314 -3.0595 -3.0590 -2.9397 -2.9395 -1.7896 -1.7893 -1.5369 -1.5364 -1.3683 -1.3663 -1.3410 -1.3384 -0.0720 -0.0708 -0.0027 -0.0017 5.2954 5.2956 6.7608 6.7635 6.9276 6.9303 7.0175 7.0183 k = 0.5362 0.0255-1.1810 ( 4390 PWs) bands (ev): -26.9165 -26.9165 -26.9138 -26.9138 -15.3383 -15.3382 -15.3145 -15.3143 -10.6825 -10.6786 -10.6184 -10.6169 -10.4373 -10.4339 -10.3775 -10.3702 -10.3646 -10.3626 -10.3323 -10.3321 -3.0606 -3.0600 -2.9408 -2.9406 -1.7870 -1.7865 -1.5358 -1.5351 -1.3706 -1.3680 -1.3452 -1.3417 -0.0683 -0.0669 -0.0003 0.0009 5.3120 5.3122 6.7578 6.7611 6.9321 6.9351 7.0213 7.0221 k = 0.5435 0.0010-1.1810 ( 4388 PWs) bands (ev): -26.9165 -26.9165 -26.9138 -26.9138 -15.3380 -15.3379 -15.3148 -15.3146 -10.6825 -10.6779 -10.6189 -10.6172 -10.4373 -10.4332 -10.3785 -10.3699 -10.3647 -10.3624 -10.3332 -10.3329 -3.0620 -3.0613 -2.9421 -2.9419 -1.7837 -1.7831 -1.5344 -1.5336 -1.3734 -1.3701 -1.3499 -1.3456 -0.0640 -0.0623 0.0025 0.0040 5.3320 5.3323 6.7541 6.7578 6.9370 6.9401 7.0268 7.0275 k = 0.5507-0.0234-1.1810 ( 4378 PWs) bands (ev): -26.9165 -26.9165 -26.9137 -26.9137 -15.3376 -15.3375 -15.3150 -15.3148 -10.6825 -10.6771 -10.6194 -10.6175 -10.4371 -10.4325 -10.3795 -10.3697 -10.3649 -10.3622 -10.3343 -10.3337 -3.0637 -3.0629 -2.9435 -2.9433 -1.7798 -1.7791 -1.5327 -1.5319 -1.3769 -1.3728 -1.3550 -1.3498 -0.0590 -0.0570 0.0058 0.0075 5.3554 5.3558 6.7496 6.7536 6.9418 6.9447 7.0345 7.0350 k = 0.5579-0.0479-1.1810 ( 4374 PWs) bands (ev): -26.9165 -26.9165 -26.9137 -26.9137 -15.3372 -15.3370 -15.3154 -15.3151 -10.6823 -10.6764 -10.6199 -10.6179 -10.4369 -10.4317 -10.3805 -10.3697 -10.3650 -10.3619 -10.3354 -10.3346 -3.0656 -3.0647 -2.9452 -2.9450 -1.7753 -1.7745 -1.5308 -1.5298 -1.3811 -1.3765 -1.3601 -1.3542 -0.0535 -0.0513 0.0096 0.0115 5.3822 5.3826 6.7443 6.7484 6.9459 6.9483 7.0448 7.0451 k = 0.5652-0.0724-1.1810 ( 4374 PWs) bands (ev): -26.9165 -26.9165 -26.9137 -26.9137 -15.3367 -15.3366 -15.3157 -15.3155 -10.6822 -10.6755 -10.6205 -10.6183 -10.4366 -10.4310 -10.3816 -10.3697 -10.3653 -10.3616 -10.3366 -10.3354 -3.0679 -3.0668 -2.9471 -2.9468 -1.7701 -1.7693 -1.5286 -1.5275 -1.3862 -1.3812 -1.3649 -1.3586 -0.0477 -0.0453 0.0137 0.0159 5.4121 5.4125 6.7381 6.7424 6.9487 6.9506 7.0577 7.0582 k = 0.5724-0.0969-1.1810 ( 4376 PWs) bands (ev): -26.9165 -26.9165 -26.9137 -26.9137 -15.3362 -15.3361 -15.3162 -15.3158 -10.6819 -10.6747 -10.6211 -10.6189 -10.4362 -10.4302 -10.3827 -10.3699 -10.3656 -10.3613 -10.3379 -10.3363 -3.0704 -3.0693 -2.9491 -2.9488 -1.7644 -1.7635 -1.5261 -1.5250 -1.3921 -1.3872 -1.3692 -1.3629 -0.0416 -0.0389 0.0182 0.0206 5.4450 5.4455 6.7313 6.7356 6.9501 6.9515 7.0733 7.0742 k = 0.5797-0.1214-1.1810 ( 4376 PWs) bands (ev): -26.9166 -26.9166 -26.9137 -26.9137 -15.3357 -15.3355 -15.3166 -15.3162 -10.6816 -10.6738 -10.6216 -10.6195 -10.4358 -10.4293 -10.3838 -10.3701 -10.3660 -10.3611 -10.3391 -10.3370 -3.0733 -3.0721 -2.9512 -2.9509 -1.7581 -1.7571 -1.5234 -1.5221 -1.3988 -1.3943 -1.3730 -1.3670 -0.0352 -0.0325 0.0231 0.0256 5.4807 5.4813 6.7238 6.7281 6.9501 6.9509 7.0914 7.0927 k = 0.5869-0.1458-1.1810 ( 4370 PWs) bands (ev): -26.9166 -26.9166 -26.9137 -26.9137 -15.3351 -15.3349 -15.3170 -15.3167 -10.6813 -10.6729 -10.6222 -10.6201 -10.4352 -10.4285 -10.3850 -10.3704 -10.3665 -10.3609 -10.3402 -10.3377 -3.0764 -3.0751 -2.9535 -2.9531 -1.7512 -1.7501 -1.5204 -1.5190 -1.4061 -1.4021 -1.3765 -1.3709 -0.0289 -0.0259 0.0282 0.0309 5.5191 5.5197 6.7158 6.7201 6.9486 6.9491 7.1116 7.1132 k = 0.5941-0.1703-1.1810 ( 4374 PWs) bands (ev): -26.9166 -26.9166 -26.9137 -26.9137 -15.3345 -15.3343 -15.3175 -15.3171 -10.6809 -10.6721 -10.6227 -10.6207 -10.4346 -10.4277 -10.3861 -10.3708 -10.3670 -10.3608 -10.3412 -10.3382 -3.0799 -3.0786 -2.9558 -2.9554 -1.7438 -1.7426 -1.5171 -1.5157 -1.4140 -1.4104 -1.3799 -1.3748 -0.0225 -0.0194 0.0336 0.0365 5.5599 5.5606 6.7074 6.7117 6.9457 6.9462 7.1335 7.1353 k = 0.6014-0.1948-1.1810 ( 4373 PWs) bands (ev): -26.9166 -26.9166 -26.9137 -26.9137 -15.3339 -15.3337 -15.3180 -15.3176 -10.6805 -10.6712 -10.6231 -10.6214 -10.4338 -10.4269 -10.3873 -10.3714 -10.3674 -10.3608 -10.3420 -10.3386 -3.0836 -3.0823 -2.9583 -2.9578 -1.7358 -1.7345 -1.5135 -1.5121 -1.4222 -1.4191 -1.3831 -1.3785 -0.0163 -0.0131 0.0391 0.0422 5.6029 5.6037 6.6987 6.7030 6.9416 6.9422 7.1565 7.1585 k = 0.6086-0.2193-1.1810 ( 4373 PWs) bands (ev): -26.9167 -26.9167 -26.9137 -26.9137 -15.3333 -15.3331 -15.3185 -15.3181 -10.6801 -10.6704 -10.6236 -10.6221 -10.4330 -10.4261 -10.3885 -10.3722 -10.3678 -10.3610 -10.3425 -10.3389 -3.0877 -3.0862 -2.9607 -2.9602 -1.7273 -1.7260 -1.5097 -1.5082 -1.4307 -1.4280 -1.3863 -1.3821 -0.0104 -0.0071 0.0448 0.0481 5.6478 5.6487 6.6899 6.6941 6.9364 6.9373 7.1802 7.1823 k = 0.6159-0.2438-1.1810 ( 4377 PWs) bands (ev): -26.9167 -26.9167 -26.9138 -26.9138 -15.3327 -15.3325 -15.3190 -15.3186 -10.6796 -10.6696 -10.6240 -10.6227 -10.4321 -10.4253 -10.3897 -10.3731 -10.3682 -10.3612 -10.3428 -10.3390 -3.0920 -3.0905 -2.9633 -2.9626 -1.7184 -1.7170 -1.5056 -1.5040 -1.4394 -1.4370 -1.3894 -1.3856 -0.0049 -0.0015 0.0507 0.0541 5.6944 5.6952 6.6810 6.6851 6.9303 6.9314 7.2040 7.2061 k = 0.3841-1.2984 0.0000 ( 4377 PWs) bands (ev): -26.9167 -26.9167 -26.9138 -26.9138 -15.3327 -15.3325 -15.3190 -15.3186 -10.6796 -10.6696 -10.6240 -10.6227 -10.4321 -10.4253 -10.3897 -10.3731 -10.3682 -10.3612 -10.3428 -10.3390 -3.0920 -3.0905 -2.9633 -2.9626 -1.7184 -1.7170 -1.5056 -1.5040 -1.4394 -1.4370 -1.3894 -1.3856 -0.0049 -0.0015 0.0507 0.0541 5.6944 5.6952 6.6810 6.6851 6.9303 6.9314 7.2040 7.2061 k = 0.3769-1.2739 0.0000 ( 4371 PWs) bands (ev): -26.9168 -26.9168 -26.9138 -26.9138 -15.3322 -15.3319 -15.3195 -15.3191 -10.6791 -10.6688 -10.6243 -10.6233 -10.4312 -10.4246 -10.3909 -10.3742 -10.3685 -10.3615 -10.3429 -10.3389 -3.0965 -3.0950 -2.9658 -2.9651 -1.7091 -1.7075 -1.5012 -1.4996 -1.4481 -1.4460 -1.3925 -1.3890 0.0002 0.0037 0.0566 0.0602 5.7422 5.7432 6.6721 6.6762 6.9234 6.9246 7.2274 7.2296 k = 0.3696-1.2494 0.0000 ( 4373 PWs) bands (ev): -26.9169 -26.9169 -26.9138 -26.9138 -15.3316 -15.3314 -15.3201 -15.3195 -10.6787 -10.6680 -10.6248 -10.6236 -10.4301 -10.4239 -10.3920 -10.3753 -10.3689 -10.3617 -10.3427 -10.3387 -3.1013 -3.0997 -2.9683 -2.9676 -1.6994 -1.6978 -1.4967 -1.4950 -1.4568 -1.4550 -1.3955 -1.3923 0.0048 0.0083 0.0625 0.0662 5.7910 5.7920 6.6635 6.6675 6.9158 6.9171 7.2500 7.2522 k = 0.3624-1.2249 0.0000 ( 4377 PWs) bands (ev): -26.9169 -26.9169 -26.9138 -26.9138 -15.3311 -15.3309 -15.3205 -15.3200 -10.6782 -10.6673 -10.6253 -10.6237 -10.4290 -10.4233 -10.3932 -10.3766 -10.3693 -10.3617 -10.3424 -10.3383 -3.1062 -3.1046 -2.9708 -2.9700 -1.6894 -1.6878 -1.4918 -1.4902 -1.4655 -1.4639 -1.3983 -1.3954 0.0087 0.0123 0.0685 0.0722 5.8402 5.8413 6.6552 6.6591 6.9075 6.9090 7.2712 7.2733 k = 0.3551-1.2004 0.0000 ( 4373 PWs) bands (ev): -26.9170 -26.9170 -26.9138 -26.9138 -15.3306 -15.3304 -15.3210 -15.3204 -10.6777 -10.6666 -10.6258 -10.6236 -10.4278 -10.4228 -10.3942 -10.3778 -10.3697 -10.3616 -10.3419 -10.3378 -3.1113 -3.1097 -2.9731 -2.9723 -1.6793 -1.6776 -1.4869 -1.4853 -1.4740 -1.4724 -1.4010 -1.3984 0.0119 0.0155 0.0743 0.0782 5.8896 5.8907 6.6473 6.6511 6.8988 6.9004 7.2904 7.2926 k = 0.3479-1.1759 0.0000 ( 4377 PWs) bands (ev): -26.9171 -26.9171 -26.9139 -26.9139 -15.3302 -15.3300 -15.3214 -15.3208 -10.6772 -10.6660 -10.6263 -10.6234 -10.4266 -10.4223 -10.3952 -10.3790 -10.3702 -10.3613 -10.3413 -10.3371 -3.1165 -3.1149 -2.9754 -2.9745 -1.6691 -1.6674 -1.4830 -1.4823 -1.4809 -1.4786 -1.4034 -1.4011 0.0144 0.0180 0.0801 0.0840 5.9385 5.9398 6.6399 6.6436 6.8897 6.8915 7.3073 7.3095 k = 0.3406-1.1514 0.0000 ( 4373 PWs) bands (ev): -26.9172 -26.9172 -26.9139 -26.9139 -15.3299 -15.3296 -15.3218 -15.3212 -10.6768 -10.6653 -10.6267 -10.6231 -10.4255 -10.4218 -10.3960 -10.3800 -10.3707 -10.3608 -10.3406 -10.3363 -3.1218 -3.1201 -2.9775 -2.9766 -1.6590 -1.6572 -1.4901 -1.4893 -1.4761 -1.4744 -1.4056 -1.4035 0.0160 0.0197 0.0857 0.0897 5.9866 5.9879 6.6331 6.6367 6.8805 6.8824 7.3214 7.3236 k = 0.3334-1.1269 0.0000 ( 4371 PWs) bands (ev): -26.9173 -26.9173 -26.9140 -26.9140 -15.3297 -15.3294 -15.3221 -15.3215 -10.6763 -10.6647 -10.6270 -10.6226 -10.4245 -10.4212 -10.3967 -10.3810 -10.3711 -10.3602 -10.3398 -10.3354 -3.1271 -3.1255 -2.9795 -2.9786 -1.6492 -1.6474 -1.4975 -1.4967 -1.4707 -1.4691 -1.4074 -1.4056 0.0167 0.0204 0.0912 0.0952 6.0332 6.0345 6.6269 6.6305 6.8715 6.8735 7.3324 7.3346 k = 0.3261-1.1024 0.0000 ( 4371 PWs) bands (ev): -26.9175 -26.9175 -26.9140 -26.9140 -15.3295 -15.3292 -15.3223 -15.3217 -10.6759 -10.6641 -10.6271 -10.6219 -10.4237 -10.4205 -10.3972 -10.3817 -10.3715 -10.3594 -10.3390 -10.3344 -3.1324 -3.1308 -2.9812 -2.9803 -1.6399 -1.6381 -1.5041 -1.5034 -1.4653 -1.4637 -1.4088 -1.4072 0.0166 0.0203 0.0964 0.1004 6.0777 6.0791 6.6215 6.6248 6.8628 6.8650 7.3401 7.3422 k = 0.3189-1.0779 0.0000 ( 4365 PWs) bands (ev): -26.9176 -26.9176 -26.9141 -26.9141 -15.3295 -15.3292 -15.3225 -15.3219 -10.6755 -10.6634 -10.6271 -10.6212 -10.4234 -10.4194 -10.3976 -10.3823 -10.3717 -10.3586 -10.3381 -10.3333 -3.1377 -3.1360 -2.9828 -2.9818 -1.6314 -1.6297 -1.5096 -1.5091 -1.4600 -1.4585 -1.4097 -1.4083 0.0154 0.0191 0.1013 0.1053 6.1196 6.1210 6.6166 6.6198 6.8549 6.8572 7.3443 7.3464 k = 0.3116-1.0534 0.0000 ( 4371 PWs) bands (ev): -26.9178 -26.9178 -26.9142 -26.9142 -15.3296 -15.3292 -15.3226 -15.3220 -10.6751 -10.6628 -10.6270 -10.6204 -10.4233 -10.4181 -10.3977 -10.3826 -10.3719 -10.3576 -10.3372 -10.3322 -3.1429 -3.1413 -2.9840 -2.9830 -1.6242 -1.6226 -1.5139 -1.5134 -1.4549 -1.4535 -1.4099 -1.4086 0.0133 0.0170 0.1060 0.1100 6.1584 6.1598 6.6123 6.6153 6.8480 6.8506 7.3450 7.3471 k = 0.3044-1.0289 0.0000 ( 4377 PWs) bands (ev): -26.9180 -26.9180 -26.9143 -26.9143 -15.3297 -15.3293 -15.3226 -15.3221 -10.6747 -10.6621 -10.6268 -10.6194 -10.4234 -10.4167 -10.3977 -10.3827 -10.3720 -10.3566 -10.3362 -10.3310 -3.1480 -3.1464 -2.9850 -2.9840 -1.6188 -1.6173 -1.5163 -1.5160 -1.4502 -1.4489 -1.4093 -1.4079 0.0101 0.0138 0.1103 0.1143 6.1935 6.1950 6.6083 6.6111 6.8426 6.8455 7.3422 7.3444 k = 0.2972-1.0044 0.0000 ( 4371 PWs) bands (ev): -26.9182 -26.9182 -26.9143 -26.9143 -15.3299 -15.3295 -15.3226 -15.3221 -10.6743 -10.6614 -10.6264 -10.6184 -10.4236 -10.4153 -10.3974 -10.3825 -10.3720 -10.3555 -10.3351 -10.3298 -3.1530 -3.1514 -2.9856 -2.9846 -1.6154 -1.6141 -1.5167 -1.5163 -1.4460 -1.4449 -1.4077 -1.4062 0.0059 0.0096 0.1143 0.1182 6.2246 6.2262 6.6043 6.6068 6.8390 6.8422 7.3362 7.3384 k = 0.2899-0.9800 0.0000 ( 4371 PWs) bands (ev): -26.9183 -26.9183 -26.9144 -26.9144 -15.3302 -15.3298 -15.3226 -15.3221 -10.6739 -10.6605 -10.6259 -10.6173 -10.4239 -10.4138 -10.3968 -10.3821 -10.3718 -10.3543 -10.3341 -10.3285 -3.1578 -3.1563 -2.9859 -2.9849 -1.6144 -1.6133 -1.5148 -1.5143 -1.4426 -1.4416 -1.4049 -1.4032 0.0006 0.0042 0.1180 0.1218 6.2516 6.2531 6.6000 6.6022 6.8375 6.8410 7.3271 7.3293 k = 0.2827-0.9555 0.0000 ( 4369 PWs) bands (ev): -26.9186 -26.9186 -26.9145 -26.9145 -15.3305 -15.3301 -15.3226 -15.3222 -10.6735 -10.6596 -10.6252 -10.6161 -10.4241 -10.4123 -10.3960 -10.3815 -10.3716 -10.3530 -10.3329 -10.3273 -3.1625 -3.1609 -2.9858 -2.9848 -1.6157 -1.6147 -1.5108 -1.5101 -1.4399 -1.4390 -1.4009 -1.3991 -0.0059 -0.0022 0.1212 0.1250 6.2744 6.2760 6.5949 6.5969 6.8382 6.8420 7.3153 7.3175 k = 0.2754-0.9310 0.0000 ( 4369 PWs) bands (ev): -26.9188 -26.9188 -26.9147 -26.9147 -15.3308 -15.3304 -15.3227 -15.3222 -10.6730 -10.6586 -10.6244 -10.6148 -10.4243 -10.4108 -10.3949 -10.3807 -10.3712 -10.3518 -10.3318 -10.3260 -3.1670 -3.1654 -2.9853 -2.9843 -1.6187 -1.6178 -1.5052 -1.5042 -1.4377 -1.4369 -1.3960 -1.3941 -0.0134 -0.0098 0.1240 0.1277 6.2933 6.2948 6.5889 6.5907 6.8408 6.8450 7.3009 7.3032 k = 0.2682-0.9065 0.0000 ( 4369 PWs) bands (ev): -26.9190 -26.9190 -26.9148 -26.9148 -15.3311 -15.3307 -15.3228 -15.3223 -10.6724 -10.6575 -10.6235 -10.6135 -10.4244 -10.4093 -10.3936 -10.3798 -10.3707 -10.3505 -10.3306 -10.3248 -3.1712 -3.1697 -2.9844 -2.9835 -1.6231 -1.6221 -1.4983 -1.4972 -1.4359 -1.4353 -1.3902 -1.3882 -0.0221 -0.0185 0.1264 0.1300 6.3085 6.3100 6.5819 6.5834 6.8452 6.8496 7.2842 7.2866 k = 0.2609-0.8820 0.0000 ( 4371 PWs) bands (ev): -26.9193 -26.9193 -26.9149 -26.9149 -15.3314 -15.3310 -15.3229 -15.3224 -10.6718 -10.6563 -10.6225 -10.6122 -10.4244 -10.4077 -10.3921 -10.3787 -10.3702 -10.3491 -10.3293 -10.3235 -3.1753 -3.1737 -2.9831 -2.9822 -1.6283 -1.6273 -1.4907 -1.4894 -1.4342 -1.4338 -1.3838 -1.3818 -0.0319 -0.0284 0.1283 0.1319 6.3205 6.3220 6.5737 6.5750 6.8507 6.8554 7.2655 7.2679 k = 0.2537-0.8575 0.0000 ( 4369 PWs) bands (ev): -26.9195 -26.9195 -26.9150 -26.9150 -15.3317 -15.3313 -15.3231 -15.3226 -10.6711 -10.6550 -10.6214 -10.6108 -10.4243 -10.4060 -10.3904 -10.3774 -10.3695 -10.3478 -10.3281 -10.3222 -3.1791 -3.1776 -2.9815 -2.9805 -1.6340 -1.6329 -1.4827 -1.4814 -1.4326 -1.4323 -1.3769 -1.3750 -0.0429 -0.0394 0.1298 0.1333 6.3297 6.3312 6.5645 6.5658 6.8568 6.8617 7.2450 7.2475 k = 0.2464-0.8330 0.0000 ( 4369 PWs) bands (ev): -26.9198 -26.9198 -26.9152 -26.9152 -15.3320 -15.3316 -15.3233 -15.3229 -10.6702 -10.6536 -10.6202 -10.6095 -10.4241 -10.4043 -10.3886 -10.3760 -10.3686 -10.3464 -10.3268 -10.3210 -3.1827 -3.1812 -2.9793 -2.9784 -1.6399 -1.6388 -1.4746 -1.4732 -1.4309 -1.4307 -1.3698 -1.3678 -0.0550 -0.0516 0.1309 0.1343 6.3366 6.3379 6.5546 6.5557 6.8629 6.8681 7.2228 7.2254 k = 0.2392-0.8085 0.0000 ( 4371 PWs) bands (ev): -26.9201 -26.9201 -26.9154 -26.9154 -15.3323 -15.3318 -15.3236 -15.3232 -10.6693 -10.6520 -10.6189 -10.6081 -10.4236 -10.4024 -10.3867 -10.3744 -10.3677 -10.3450 -10.3255 -10.3198 -3.1861 -3.1846 -2.9768 -2.9759 -1.6458 -1.6446 -1.4665 -1.4650 -1.4291 -1.4290 -1.3624 -1.3605 -0.0684 -0.0650 0.1315 0.1348 6.3414 6.3427 6.5440 6.5451 6.8687 6.8740 7.1990 7.2017 k = 0.2319-0.7840 0.0000 ( 4369 PWs) bands (ev): -26.9204 -26.9204 -26.9155 -26.9155 -15.3325 -15.3321 -15.3239 -15.3235 -10.6682 -10.6503 -10.6176 -10.6067 -10.4231 -10.4004 -10.3847 -10.3727 -10.3666 -10.3437 -10.3241 -10.3185 -3.1892 -3.1877 -2.9739 -2.9730 -1.6515 -1.6503 -1.4585 -1.4571 -1.4272 -1.4270 -1.3548 -1.3530 -0.0829 -0.0796 0.1316 0.1349 6.3445 6.3456 6.5331 6.5342 6.8737 6.8793 7.1739 7.1766 k = 0.2247-0.7595 0.0000 ( 4377 PWs) bands (ev): -26.9207 -26.9207 -26.9157 -26.9157 -15.3327 -15.3323 -15.3243 -15.3239 -10.6670 -10.6485 -10.6162 -10.6053 -10.4223 -10.3983 -10.3826 -10.3710 -10.3655 -10.3423 -10.3228 -10.3174 -3.1922 -3.1907 -2.9705 -2.9697 -1.6569 -1.6556 -1.4509 -1.4494 -1.4250 -1.4248 -1.3472 -1.3454 -0.0986 -0.0954 0.1313 0.1345 6.3459 6.3469 6.5220 6.5231 6.8779 6.8836 7.1473 7.1501 k = 0.2174-0.7350 0.0000 ( 4383 PWs) bands (ev): -26.9210 -26.9210 -26.9159 -26.9159 -15.3329 -15.3325 -15.3248 -15.3244 -10.6657 -10.6466 -10.6148 -10.6039 -10.4214 -10.3961 -10.3805 -10.3691 -10.3642 -10.3409 -10.3215 -10.3162 -3.1950 -3.1936 -2.9668 -2.9660 -1.6619 -1.6605 -1.4436 -1.4421 -1.4227 -1.4224 -1.3395 -1.3378 -0.1154 -0.1123 0.1305 0.1337 6.3460 6.3468 6.5109 6.5120 6.8812 6.8869 7.1194 7.1223 k = 0.2102-0.7105 0.0000 ( 4389 PWs) bands (ev): -26.9214 -26.9214 -26.9161 -26.9161 -15.3331 -15.3327 -15.3253 -15.3249 -10.6643 -10.6446 -10.6134 -10.6025 -10.4202 -10.3938 -10.3784 -10.3671 -10.3629 -10.3396 -10.3201 -10.3151 -3.1977 -3.1962 -2.9627 -2.9619 -1.6662 -1.6648 -1.4366 -1.4353 -1.4200 -1.4197 -1.3318 -1.3301 -0.1335 -0.1304 0.1294 0.1324 6.3446 6.3452 6.5000 6.5012 6.8836 6.8893 7.0903 7.0932 k = 0.2029-0.6860 0.0000 ( 4387 PWs) bands (ev): -26.9217 -26.9217 -26.9163 -26.9163 -15.3332 -15.3328 -15.3259 -15.3255 -10.6627 -10.6425 -10.6119 -10.6012 -10.4189 -10.3914 -10.3762 -10.3650 -10.3614 -10.3383 -10.3187 -10.3140 -3.2003 -3.1988 -2.9582 -2.9574 -1.6699 -1.6684 -1.4302 -1.4289 -1.4171 -1.4168 -1.3241 -1.3225 -0.1526 -0.1497 0.1277 0.1308 6.3417 6.3421 6.4895 6.4907 6.8850 6.8908 7.0600 7.0630 k = 0.1957-0.6615 0.0000 ( 4391 PWs) bands (ev): -26.9220 -26.9220 -26.9165 -26.9165 -15.3333 -15.3330 -15.3266 -15.3261 -10.6609 -10.6404 -10.6103 -10.5999 -10.4173 -10.3890 -10.3740 -10.3628 -10.3599 -10.3370 -10.3174 -10.3129 -3.2027 -3.2012 -2.9534 -2.9526 -1.6727 -1.6713 -1.4242 -1.4230 -1.4139 -1.4136 -1.3164 -1.3149 -0.1729 -0.1701 0.1257 0.1287 6.3374 6.3377 6.4794 6.4807 6.8855 6.8913 7.0288 7.0318 k = 0.1884-0.6370 0.0000 ( 4391 PWs) bands (ev): -26.9224 -26.9224 -26.9167 -26.9167 -15.3334 -15.3331 -15.3272 -15.3268 -10.6590 -10.6381 -10.6088 -10.5986 -10.4156 -10.3865 -10.3717 -10.3605 -10.3582 -10.3357 -10.3160 -10.3118 -3.2051 -3.2036 -2.9482 -2.9475 -1.6747 -1.6733 -1.4187 -1.4176 -1.4105 -1.4101 -1.3088 -1.3074 -0.1943 -0.1916 0.1233 0.1262 6.3314 6.3320 6.4698 6.4713 6.8849 6.8906 6.9972 7.0002 k = 0.1812-0.6125 0.0000 ( 4389 PWs) bands (ev): -26.9227 -26.9227 -26.9169 -26.9169 -15.3335 -15.3331 -15.3279 -15.3275 -10.6570 -10.6358 -10.6073 -10.5973 -10.4137 -10.3841 -10.3694 -10.3582 -10.3565 -10.3345 -10.3147 -10.3108 -3.2075 -3.2060 -2.9428 -2.9421 -1.6757 -1.6743 -1.4138 -1.4127 -1.4068 -1.4064 -1.3014 -1.3000 -0.2168 -0.2142 0.1206 0.1234 6.3238 6.3248 6.4608 6.4625 6.8823 6.8878 6.9663 6.9691 k = 0.1739-0.5880 0.0000 ( 4383 PWs) bands (ev): -26.9230 -26.9230 -26.9171 -26.9171 -15.3335 -15.3332 -15.3287 -15.3282 -10.6549 -10.6335 -10.6057 -10.5961 -10.4117 -10.3817 -10.3669 -10.3561 -10.3545 -10.3333 -10.3133 -10.3098 -3.2098 -3.2084 -2.9371 -2.9365 -1.6756 -1.6742 -1.4093 -1.4082 -1.4029 -1.4025 -1.2940 -1.2927 -0.2402 -0.2378 0.1175 0.1202 6.3149 6.3161 6.4524 6.4542 6.8755 6.8801 6.9392 6.9412 k = 0.1667-0.5635 0.0000 ( 4379 PWs) bands (ev): -26.9234 -26.9234 -26.9173 -26.9173 -15.3336 -15.3333 -15.3294 -15.3290 -10.6526 -10.6311 -10.6042 -10.5950 -10.4095 -10.3794 -10.3643 -10.3542 -10.3523 -10.3321 -10.3120 -10.3087 -3.2122 -3.2108 -2.9312 -2.9306 -1.6744 -1.6730 -1.4052 -1.4040 -1.3990 -1.3986 -1.2868 -1.2856 -0.2647 -0.2624 0.1141 0.1167 6.3045 6.3061 6.4443 6.4464 6.8596 6.8619 6.9211 6.9223 k = 0.1594-0.5390 0.0000 ( 4383 PWs) bands (ev): -26.9237 -26.9237 -26.9176 -26.9176 -15.3337 -15.3334 -15.3302 -15.3297 -10.6502 -10.6288 -10.6027 -10.5940 -10.4071 -10.3772 -10.3617 -10.3524 -10.3498 -10.3309 -10.3108 -10.3078 -3.2147 -3.2132 -2.9251 -2.9245 -1.6720 -1.6706 -1.4013 -1.4000 -1.3950 -1.3948 -1.2797 -1.2786 -0.2902 -0.2880 0.1104 0.1130 6.2929 6.2948 6.4365 6.4388 6.8327 6.8331 6.9121 6.9148 k = 0.1522-0.5145 0.0000 ( 4377 PWs) bands (ev): -26.9241 -26.9241 -26.9178 -26.9178 -15.3338 -15.3335 -15.3309 -15.3304 -10.6478 -10.6264 -10.6013 -10.5930 -10.4047 -10.3751 -10.3589 -10.3508 -10.3473 -10.3297 -10.3095 -10.3068 -3.2172 -3.2158 -2.9189 -2.9183 -1.6684 -1.6670 -1.3977 -1.3963 -1.3912 -1.3910 -1.2729 -1.2718 -0.3165 -0.3145 0.1064 0.1089 6.2802 6.2824 6.4288 6.4313 6.7992 6.8000 6.9090 6.9124 k = 0.1450-0.4900 0.0000 ( 4379 PWs) bands (ev): -26.9244 -26.9244 -26.9180 -26.9180 -15.3340 -15.3337 -15.3316 -15.3310 -10.6453 -10.6240 -10.5998 -10.5921 -10.4021 -10.3731 -10.3561 -10.3492 -10.3447 -10.3285 -10.3083 -10.3058 -3.2198 -3.2184 -2.9125 -2.9119 -1.6634 -1.6621 -1.3943 -1.3927 -1.3877 -1.3872 -1.2662 -1.2652 -0.3437 -0.3418 0.1022 0.1047 6.2667 6.2690 6.4208 6.4235 6.7636 6.7649 6.9084 6.9121 k = 0.1377-0.4655 0.0000 ( 4381 PWs) bands (ev): -26.9247 -26.9247 -26.9182 -26.9182 -15.3343 -15.3341 -15.3320 -15.3314 -10.6427 -10.6217 -10.5984 -10.5912 -10.3994 -10.3712 -10.3532 -10.3478 -10.3421 -10.3273 -10.3072 -10.3049 -3.2225 -3.2211 -2.9061 -2.9055 -1.6571 -1.6559 -1.3912 -1.3894 -1.3843 -1.3833 -1.2597 -1.2588 -0.3716 -0.3698 0.0978 0.1002 6.2524 6.2549 6.4122 6.4152 6.7277 6.7293 6.9092 6.9130 k = 0.1305-0.4410 0.0000 ( 4377 PWs) bands (ev): -26.9250 -26.9250 -26.9184 -26.9184 -15.3349 -15.3347 -15.3322 -15.3317 -10.6400 -10.6194 -10.5971 -10.5904 -10.3967 -10.3694 -10.3504 -10.3464 -10.3394 -10.3260 -10.3061 -10.3039 -3.2254 -3.2240 -2.8996 -2.8990 -1.6495 -1.6483 -1.3884 -1.3865 -1.3808 -1.3794 -1.2535 -1.2526 -0.4001 -0.3985 0.0933 0.0956 6.2375 6.2402 6.4029 6.4060 6.6925 6.6942 6.9109 6.9147 k = 0.1232-0.4165 0.0000 ( 4373 PWs) bands (ev): -26.9254 -26.9254 -26.9186 -26.9186 -15.3356 -15.3354 -15.3323 -15.3318 -10.6373 -10.6171 -10.5958 -10.5897 -10.3939 -10.3677 -10.3478 -10.3450 -10.3368 -10.3246 -10.3050 -10.3030 -3.2283 -3.2270 -2.8931 -2.8926 -1.6406 -1.6394 -1.3860 -1.3839 -1.3773 -1.3756 -1.2475 -1.2467 -0.4292 -0.4277 0.0887 0.0909 6.2224 6.2251 6.3923 6.3956 6.6586 6.6604 6.9132 6.9169 k = 0.1160-0.3920 0.0000 ( 4375 PWs) bands (ev): -26.9257 -26.9257 -26.9188 -26.9188 -15.3363 -15.3362 -15.3323 -15.3319 -10.6346 -10.6149 -10.5946 -10.5891 -10.3910 -10.3660 -10.3454 -10.3437 -10.3342 -10.3231 -10.3040 -10.3021 -3.2313 -3.2300 -2.8867 -2.8862 -1.6304 -1.6293 -1.3838 -1.3816 -1.3737 -1.3718 -1.2418 -1.2410 -0.4588 -0.4574 0.0840 0.0861 6.2070 6.2098 6.3801 6.3835 6.6268 6.6287 6.9160 6.9196 k = 0.1087-0.3675 0.0000 ( 4383 PWs) bands (ev): -26.9260 -26.9260 -26.9190 -26.9190 -15.3372 -15.3370 -15.3322 -15.3318 -10.6319 -10.6128 -10.5935 -10.5886 -10.3882 -10.3644 -10.3435 -10.3423 -10.3316 -10.3215 -10.3031 -10.3012 -3.2344 -3.2332 -2.8804 -2.8799 -1.6190 -1.6179 -1.3819 -1.3797 -1.3701 -1.3680 -1.2364 -1.2356 -0.4887 -0.4875 0.0792 0.0812 6.1916 6.1944 6.3661 6.3695 6.5977 6.5995 6.9192 6.9226 k = 0.1015-0.3430 0.0000 ( 4379 PWs) bands (ev): -26.9263 -26.9263 -26.9192 -26.9192 -15.3380 -15.3378 -15.3321 -15.3318 -10.6292 -10.6107 -10.5925 -10.5882 -10.3853 -10.3629 -10.3423 -10.3407 -10.3290 -10.3198 -10.3022 -10.3004 -3.2376 -3.2364 -2.8742 -2.8737 -1.6064 -1.6053 -1.3803 -1.3780 -1.3665 -1.3644 -1.2312 -1.2305 -0.5188 -0.5177 0.0745 0.0764 6.1764 6.1792 6.3500 6.3534 6.5719 6.5736 6.9228 6.9260 k = 0.0942-0.3185 0.0000 ( 4385 PWs) bands (ev): -26.9265 -26.9265 -26.9194 -26.9194 -15.3388 -15.3386 -15.3320 -15.3317 -10.6265 -10.6088 -10.5916 -10.5878 -10.3825 -10.3615 -10.3414 -10.3392 -10.3264 -10.3179 -10.3013 -10.2997 -3.2408 -3.2396 -2.8681 -2.8677 -1.5928 -1.5917 -1.3788 -1.3766 -1.3631 -1.3608 -1.2264 -1.2257 -0.5490 -0.5480 0.0699 0.0717 6.1615 6.1642 6.3319 6.3351 6.5495 6.5511 6.9267 6.9297 k = 0.0870-0.2940 0.0000 ( 4393 PWs) bands (ev): -26.9268 -26.9268 -26.9196 -26.9196 -15.3395 -15.3394 -15.3319 -15.3316 -10.6239 -10.6069 -10.5908 -10.5874 -10.3797 -10.3601 -10.3407 -10.3380 -10.3238 -10.3159 -10.3005 -10.2990 -3.2440 -3.2429 -2.8624 -2.8620 -1.5783 -1.5772 -1.3775 -1.3753 -1.3598 -1.3575 -1.2218 -1.2212 -0.5790 -0.5781 0.0653 0.0670 6.1471 6.1497 6.3121 6.3151 6.5307 6.5321 6.9307 6.9335 k = 0.0797-0.2695 0.0000 ( 4397 PWs) bands (ev): -26.9270 -26.9270 -26.9198 -26.9198 -15.3403 -15.3401 -15.3318 -15.3315 -10.6213 -10.6052 -10.5901 -10.5871 -10.3769 -10.3588 -10.3402 -10.3370 -10.3213 -10.3139 -10.2998 -10.2984 -3.2471 -3.2461 -2.8568 -2.8565 -1.5630 -1.5620 -1.3763 -1.3742 -1.3566 -1.3543 -1.2176 -1.2170 -0.6086 -0.6079 0.0609 0.0625 6.1333 6.1358 6.2910 6.2938 6.5150 6.5162 6.9349 6.9374 k = 0.0725-0.2450 0.0000 ( 4389 PWs) bands (ev): -26.9273 -26.9273 -26.9199 -26.9199 -15.3410 -15.3408 -15.3316 -15.3314 -10.6188 -10.6035 -10.5896 -10.5868 -10.3742 -10.3576 -10.3397 -10.3364 -10.3187 -10.3118 -10.2991 -10.2979 -3.2502 -3.2492 -2.8516 -2.8513 -1.5472 -1.5462 -1.3752 -1.3731 -1.3537 -1.3513 -1.2136 -1.2131 -0.6377 -0.6371 0.0568 0.0582 6.1202 6.1227 6.2694 6.2719 6.5021 6.5031 6.9391 6.9414 k = 0.0652-0.2205 0.0000 ( 4389 PWs) bands (ev): -26.9275 -26.9275 -26.9200 -26.9200 -15.3416 -15.3415 -15.3315 -15.3313 -10.6164 -10.6021 -10.5893 -10.5866 -10.3716 -10.3564 -10.3394 -10.3359 -10.3163 -10.3098 -10.2985 -10.2975 -3.2531 -3.2522 -2.8468 -2.8465 -1.5311 -1.5301 -1.3741 -1.3720 -1.3510 -1.3486 -1.2101 -1.2096 -0.6660 -0.6655 0.0528 0.0542 6.1081 6.1104 6.2479 6.2502 6.4915 6.4923 6.9433 6.9453 k = 0.0580-0.1960 0.0000 ( 4389 PWs) bands (ev): -26.9276 -26.9276 -26.9202 -26.9202 -15.3422 -15.3421 -15.3314 -15.3312 -10.6140 -10.6007 -10.5891 -10.5864 -10.3691 -10.3554 -10.3392 -10.3357 -10.3140 -10.3079 -10.2980 -10.2971 -3.2558 -3.2551 -2.8423 -2.8420 -1.5151 -1.5141 -1.3730 -1.3709 -1.3486 -1.3461 -1.2068 -1.2064 -0.6931 -0.6927 0.0492 0.0504 6.0970 6.0992 6.2272 6.2293 6.4828 6.4834 6.9473 6.9491 k = 0.0507-0.1715 0.0000 ( 4389 PWs) bands (ev): -26.9278 -26.9278 -26.9203 -26.9203 -15.3428 -15.3426 -15.3313 -15.3311 -10.6118 -10.5996 -10.5890 -10.5862 -10.3668 -10.3545 -10.3390 -10.3356 -10.3118 -10.3060 -10.2977 -10.2968 -3.2584 -3.2577 -2.8383 -2.8380 -1.4994 -1.4985 -1.3718 -1.3697 -1.3465 -1.3440 -1.2040 -1.2036 -0.7187 -0.7183 0.0459 0.0470 6.0870 6.0890 6.2079 6.2097 6.4757 6.4761 6.9511 6.9527 k = 0.0435-0.1470 0.0000 ( 4393 PWs) bands (ev): -26.9280 -26.9280 -26.9204 -26.9204 -15.3432 -15.3431 -15.3312 -15.3310 -10.6097 -10.5988 -10.5889 -10.5861 -10.3645 -10.3538 -10.3389 -10.3357 -10.3097 -10.3043 -10.2975 -10.2966 -3.2607 -3.2601 -2.8347 -2.8345 -1.4846 -1.4837 -1.3705 -1.3684 -1.3448 -1.3423 -1.2015 -1.2011 -0.7424 -0.7421 0.0430 0.0439 6.0783 6.0801 6.1903 6.1919 6.4698 6.4702 6.9547 6.9560 k = 0.0362-0.1225 0.0000 ( 4387 PWs) bands (ev): -26.9281 -26.9281 -26.9205 -26.9205 -15.3436 -15.3435 -15.3311 -15.3309 -10.6077 -10.5981 -10.5887 -10.5861 -10.3624 -10.3533 -10.3388 -10.3358 -10.3078 -10.3027 -10.2976 -10.2964 -3.2627 -3.2622 -2.8316 -2.8314 -1.4710 -1.4703 -1.3690 -1.3669 -1.3434 -1.3409 -1.1993 -1.1990 -0.7637 -0.7635 0.0404 0.0412 6.0709 6.0725 6.1748 6.1762 6.4651 6.4654 6.9578 6.9589 k = 0.0290-0.0980 0.0000 ( 4393 PWs) bands (ev): -26.9282 -26.9282 -26.9205 -26.9205 -15.3440 -15.3439 -15.3310 -15.3309 -10.6058 -10.5979 -10.5886 -10.5861 -10.3604 -10.3530 -10.3387 -10.3361 -10.3061 -10.3013 -10.2978 -10.2963 -3.2643 -3.2639 -2.8290 -2.8289 -1.4593 -1.4586 -1.3672 -1.3652 -1.3424 -1.3400 -1.1976 -1.1973 -0.7822 -0.7820 0.0383 0.0389 6.0649 6.0662 6.1618 6.1630 6.4614 6.4616 6.9605 6.9614 k = 0.0217-0.0735 0.0000 ( 4387 PWs) bands (ev): -26.9283 -26.9283 -26.9206 -26.9206 -15.3442 -15.3442 -15.3309 -15.3308 -10.6041 -10.5979 -10.5883 -10.5863 -10.3587 -10.3530 -10.3385 -10.3365 -10.3045 -10.3002 -10.2982 -10.2963 -3.2657 -3.2654 -2.8270 -2.8269 -1.4496 -1.4491 -1.3653 -1.3635 -1.3416 -1.3395 -1.1962 -1.1960 -0.7972 -0.7971 0.0367 0.0371 6.0602 6.0613 6.1514 6.1523 6.4585 6.4587 6.9627 6.9634 k = 0.0145-0.0490 0.0000 ( 4385 PWs) bands (ev): -26.9283 -26.9283 -26.9206 -26.9206 -15.3444 -15.3444 -15.3309 -15.3308 -10.6025 -10.5983 -10.5879 -10.5865 -10.3571 -10.3533 -10.3383 -10.3368 -10.3030 -10.2995 -10.2983 -10.2964 -3.2666 -3.2664 -2.8256 -2.8255 -1.4425 -1.4422 -1.3634 -1.3620 -1.3411 -1.3395 -1.1951 -1.1950 -0.8085 -0.8084 0.0355 0.0358 6.0569 6.0577 6.1439 6.1446 6.4566 6.4567 6.9644 6.9648 k = 0.0072-0.0245 0.0000 ( 4379 PWs) bands (ev): -26.9283 -26.9283 -26.9206 -26.9206 -15.3445 -15.3445 -15.3308 -15.3308 -10.6012 -10.5990 -10.5875 -10.5868 -10.3558 -10.3538 -10.3380 -10.3372 -10.3018 -10.2999 -10.2979 -10.2968 -3.2672 -3.2670 -2.8247 -2.8246 -1.4382 -1.4380 -1.3619 -1.3611 -1.3406 -1.3397 -1.1945 -1.1944 -0.8154 -0.8153 0.0349 0.0350 6.0551 6.0555 6.1395 6.1398 6.4554 6.4554 6.9654 6.9656 k = 0.0000 0.0000 0.0000 ( 4375 PWs) bands (ev): -26.9283 -26.9283 -26.9206 -26.9206 -15.3445 -15.3445 -15.3308 -15.3308 -10.6000 -10.6000 -10.5871 -10.5871 -10.3547 -10.3547 -10.3376 -10.3376 -10.3007 -10.3007 -10.2972 -10.2972 -3.2673 -3.2673 -2.8243 -2.8243 -1.4367 -1.4367 -1.3610 -1.3610 -1.3402 -1.3402 -1.1943 -1.1943 -0.8177 -0.8177 0.0347 0.0347 6.0546 6.0546 6.1381 6.1381 6.4550 6.4550 6.9658 6.9658 k = 0.0000 0.0000 0.0000 ( 4375 PWs) bands (ev): -26.9283 -26.9283 -26.9206 -26.9206 -15.3445 -15.3445 -15.3308 -15.3308 -10.6000 -10.6000 -10.5871 -10.5871 -10.3547 -10.3547 -10.3376 -10.3376 -10.3007 -10.3007 -10.2972 -10.2972 -3.2673 -3.2673 -2.8243 -2.8243 -1.4367 -1.4367 -1.3610 -1.3610 -1.3402 -1.3402 -1.1943 -1.1943 -0.8177 -0.8177 0.0347 0.0347 6.0546 6.0546 6.1381 6.1381 6.4550 6.4550 6.9658 6.9658 k = 0.0116-0.0179-0.0137 ( 4381 PWs) bands (ev): -26.9283 -26.9283 -26.9206 -26.9206 -15.3445 -15.3445 -15.3308 -15.3308 -10.6010 -10.5992 -10.5874 -10.5868 -10.3559 -10.3537 -10.3380 -10.3372 -10.3016 -10.3000 -10.2978 -10.2967 -3.2671 -3.2670 -2.8247 -2.8246 -1.4377 -1.4375 -1.3616 -1.3610 -1.3406 -1.3398 -1.1952 -1.1950 -0.8154 -0.8153 0.0347 0.0349 6.0546 6.0549 6.1390 6.1393 6.4557 6.4557 6.9653 6.9655 k = 0.0233-0.0359-0.0275 ( 4390 PWs) bands (ev): -26.9283 -26.9283 -26.9206 -26.9206 -15.3444 -15.3444 -15.3309 -15.3308 -10.6023 -10.5987 -10.5877 -10.5865 -10.3573 -10.3530 -10.3385 -10.3367 -10.3027 -10.2999 -10.2983 -10.2963 -3.2662 -3.2661 -2.8257 -2.8256 -1.4407 -1.4404 -1.3627 -1.3615 -1.3411 -1.3397 -1.1976 -1.1972 -0.8085 -0.8084 0.0349 0.0352 6.0549 6.0555 6.1421 6.1426 6.4577 6.4578 6.9640 6.9644 k = 0.0349-0.0538-0.0412 ( 4391 PWs) bands (ev): -26.9283 -26.9283 -26.9206 -26.9206 -15.3442 -15.3442 -15.3309 -15.3309 -10.6037 -10.5984 -10.5880 -10.5863 -10.3589 -10.3525 -10.3389 -10.3362 -10.3039 -10.3005 -10.2983 -10.2961 -3.2649 -3.2646 -2.8273 -2.8272 -1.4456 -1.4451 -1.3642 -1.3625 -1.3417 -1.3398 -1.2013 -1.2008 -0.7974 -0.7973 0.0353 0.0358 6.0556 6.0565 6.1472 6.1480 6.4610 6.4612 6.9619 6.9624 k = 0.0465-0.0717-0.0549 ( 4393 PWs) bands (ev): -26.9282 -26.9282 -26.9206 -26.9206 -15.3440 -15.3439 -15.3310 -15.3309 -10.6053 -10.5984 -10.5883 -10.5860 -10.3607 -10.3522 -10.3392 -10.3358 -10.3053 -10.3016 -10.2981 -10.2959 -3.2629 -3.2625 -2.8296 -2.8294 -1.4523 -1.4517 -1.3659 -1.3639 -1.3423 -1.3400 -1.2060 -1.2053 -0.7824 -0.7823 0.0359 0.0365 6.0567 6.0577 6.1544 6.1553 6.4658 6.4659 6.9590 6.9596 k = 0.0581-0.0897-0.0687 ( 4390 PWs) bands (ev): -26.9281 -26.9281 -26.9205 -26.9205 -15.3436 -15.3435 -15.3311 -15.3310 -10.6071 -10.5987 -10.5886 -10.5857 -10.3627 -10.3521 -10.3396 -10.3354 -10.3069 -10.3029 -10.2981 -10.2958 -3.2604 -3.2599 -2.8324 -2.8323 -1.4607 -1.4600 -1.3678 -1.3655 -1.3430 -1.3404 -1.2114 -1.2106 -0.7643 -0.7641 0.0366 0.0374 6.0580 6.0592 6.1634 6.1645 6.4719 6.4721 6.9553 6.9562 k = 0.0698-0.1076-0.0824 ( 4389 PWs) bands (ev): -26.9279 -26.9279 -26.9204 -26.9204 -15.3432 -15.3431 -15.3313 -15.3311 -10.6090 -10.5992 -10.5888 -10.5856 -10.3649 -10.3523 -10.3400 -10.3351 -10.3086 -10.3044 -10.2982 -10.2957 -3.2574 -3.2569 -2.8359 -2.8357 -1.4707 -1.4699 -1.3698 -1.3674 -1.3436 -1.3409 -1.2172 -1.2162 -0.7434 -0.7432 0.0376 0.0385 6.0596 6.0610 6.1743 6.1755 6.4794 6.4797 6.9510 6.9520 k = 0.0814-0.1255-0.0961 ( 4391 PWs) bands (ev): -26.9278 -26.9278 -26.9204 -26.9204 -15.3428 -15.3426 -15.3314 -15.3312 -10.6111 -10.5999 -10.5891 -10.5854 -10.3672 -10.3526 -10.3403 -10.3349 -10.3104 -10.3060 -10.2986 -10.2957 -3.2539 -3.2533 -2.8400 -2.8397 -1.4821 -1.4812 -1.3719 -1.3695 -1.3443 -1.3414 -1.2232 -1.2221 -0.7203 -0.7201 0.0386 0.0397 6.0613 6.0629 6.1868 6.1881 6.4883 6.4887 6.9461 6.9473 k = 0.0930-0.1435-0.1099 ( 4391 PWs) bands (ev): -26.9276 -26.9276 -26.9203 -26.9203 -15.3423 -15.3421 -15.3316 -15.3314 -10.6133 -10.6007 -10.5895 -10.5854 -10.3696 -10.3531 -10.3407 -10.3348 -10.3125 -10.3077 -10.2990 -10.2957 -3.2500 -3.2493 -2.8445 -2.8443 -1.4945 -1.4936 -1.3742 -1.3717 -1.3448 -1.3420 -1.2292 -1.2281 -0.6954 -0.6951 0.0398 0.0410 6.0631 6.0648 6.2008 6.2022 6.4987 6.4991 6.9407 6.9421 k = 0.1047-0.1614-0.1236 ( 4392 PWs) bands (ev): -26.9274 -26.9274 -26.9202 -26.9202 -15.3417 -15.3415 -15.3317 -15.3315 -10.6155 -10.6018 -10.5899 -10.5854 -10.3722 -10.3537 -10.3412 -10.3348 -10.3146 -10.3095 -10.2996 -10.2958 -3.2457 -3.2449 -2.8497 -2.8493 -1.5077 -1.5068 -1.3767 -1.3743 -1.3453 -1.3425 -1.2353 -1.2341 -0.6690 -0.6687 0.0411 0.0424 6.0648 6.0665 6.2164 6.2179 6.5105 6.5110 6.9350 6.9365 k = 0.1163-0.1793-0.1373 ( 4391 PWs) bands (ev): -26.9272 -26.9272 -26.9200 -26.9200 -15.3411 -15.3409 -15.3319 -15.3317 -10.6179 -10.6030 -10.5904 -10.5854 -10.3748 -10.3545 -10.3417 -10.3350 -10.3169 -10.3114 -10.3003 -10.2959 -3.2410 -3.2402 -2.8552 -2.8549 -1.5213 -1.5205 -1.3794 -1.3770 -1.3456 -1.3429 -1.2413 -1.2400 -0.6415 -0.6412 0.0425 0.0439 6.0662 6.0680 6.2334 6.2349 6.5238 6.5244 6.9291 6.9308 k = 0.1279-0.1973-0.1511 ( 4390 PWs) bands (ev): -26.9269 -26.9269 -26.9199 -26.9199 -15.3404 -15.3402 -15.3320 -15.3318 -10.6203 -10.6043 -10.5910 -10.5856 -10.3775 -10.3555 -10.3422 -10.3353 -10.3193 -10.3133 -10.3010 -10.2962 -3.2361 -3.2352 -2.8613 -2.8609 -1.5352 -1.5343 -1.3824 -1.3801 -1.3458 -1.3431 -1.2472 -1.2459 -0.6132 -0.6128 0.0439 0.0455 6.0671 6.0689 6.2517 6.2532 6.5385 6.5392 6.9232 6.9251 k = 0.1395-0.2152-0.1648 ( 4387 PWs) bands (ev): -26.9267 -26.9267 -26.9198 -26.9198 -15.3397 -15.3395 -15.3322 -15.3319 -10.6228 -10.6057 -10.5916 -10.5858 -10.3803 -10.3566 -10.3428 -10.3358 -10.3218 -10.3153 -10.3018 -10.2965 -3.2309 -3.2299 -2.8677 -2.8674 -1.5491 -1.5482 -1.3857 -1.3834 -1.3458 -1.3433 -1.2530 -1.2517 -0.5843 -0.5839 0.0454 0.0470 6.0674 6.0692 6.2711 6.2727 6.5547 6.5555 6.9176 6.9196 k = 0.1512-0.2331-0.1785 ( 4389 PWs) bands (ev): -26.9264 -26.9264 -26.9197 -26.9197 -15.3391 -15.3388 -15.3323 -15.3320 -10.6253 -10.6073 -10.5924 -10.5861 -10.3831 -10.3579 -10.3435 -10.3365 -10.3242 -10.3172 -10.3026 -10.2969 -3.2254 -3.2244 -2.8746 -2.8742 -1.5628 -1.5619 -1.3892 -1.3870 -1.3458 -1.3433 -1.2587 -1.2574 -0.5550 -0.5546 0.0469 0.0486 6.0669 6.0687 6.2918 6.2933 6.5723 6.5732 6.9123 6.9144 k = 0.1628-0.2511-0.1923 ( 4381 PWs) bands (ev): -26.9261 -26.9261 -26.9195 -26.9195 -15.3384 -15.3381 -15.3323 -15.3320 -10.6279 -10.6090 -10.5931 -10.5865 -10.3860 -10.3594 -10.3442 -10.3375 -10.3267 -10.3191 -10.3035 -10.2974 -3.2199 -3.2188 -2.8818 -2.8813 -1.5761 -1.5752 -1.3930 -1.3908 -1.3456 -1.3432 -1.2642 -1.2630 -0.5255 -0.5250 0.0483 0.0502 6.0654 6.0672 6.3135 6.3150 6.5913 6.5923 6.9075 6.9099 k = 0.1744-0.2690-0.2060 ( 4379 PWs) bands (ev): -26.9258 -26.9258 -26.9194 -26.9194 -15.3378 -15.3375 -15.3322 -15.3319 -10.6305 -10.6107 -10.5940 -10.5869 -10.3889 -10.3611 -10.3451 -10.3386 -10.3291 -10.3210 -10.3043 -10.2980 -3.2142 -3.2131 -2.8892 -2.8888 -1.5889 -1.5880 -1.3971 -1.3949 -1.3453 -1.3430 -1.2696 -1.2684 -0.4960 -0.4955 0.0498 0.0517 6.0628 6.0645 6.3362 6.3377 6.6115 6.6127 6.9036 6.9060 k = 0.1860-0.2869-0.2197 ( 4381 PWs) bands (ev): -26.9255 -26.9255 -26.9192 -26.9192 -15.3374 -15.3371 -15.3320 -15.3317 -10.6331 -10.6126 -10.5949 -10.5874 -10.3918 -10.3629 -10.3460 -10.3400 -10.3314 -10.3228 -10.3052 -10.2987 -3.2085 -3.2074 -2.8969 -2.8965 -1.6011 -1.6002 -1.4013 -1.3993 -1.3451 -1.3428 -1.2748 -1.2736 -0.4667 -0.4661 0.0512 0.0532 6.0590 6.0607 6.3598 6.3613 6.6329 6.6342 6.9005 6.9031 k = 0.1977-0.3049-0.2335 ( 4381 PWs) bands (ev): -26.9252 -26.9252 -26.9190 -26.9190 -15.3371 -15.3367 -15.3316 -15.3313 -10.6356 -10.6146 -10.5959 -10.5880 -10.3947 -10.3650 -10.3471 -10.3415 -10.3336 -10.3245 -10.3060 -10.2994 -3.2029 -3.2017 -2.9049 -2.9044 -1.6125 -1.6116 -1.4058 -1.4038 -1.3448 -1.3427 -1.2798 -1.2786 -0.4375 -0.4369 0.0525 0.0545 6.0540 6.0556 6.3842 6.3857 6.6552 6.6566 6.8985 6.9012 k = 0.2093-0.3228-0.2472 ( 4386 PWs) bands (ev): -26.9248 -26.9248 -26.9189 -26.9189 -15.3370 -15.3366 -15.3311 -15.3307 -10.6382 -10.6166 -10.5969 -10.5886 -10.3976 -10.3673 -10.3484 -10.3431 -10.3356 -10.3261 -10.3069 -10.3002 -3.1973 -3.1961 -2.9129 -2.9125 -1.6231 -1.6222 -1.4104 -1.4084 -1.3447 -1.3426 -1.2845 -1.2833 -0.4088 -0.4081 0.0537 0.0558 6.0477 6.0493 6.4093 6.4108 6.6784 6.6798 6.8978 6.9005 k = 0.2209-0.3407-0.2609 ( 4382 PWs) bands (ev): -26.9245 -26.9245 -26.9187 -26.9187 -15.3370 -15.3366 -15.3303 -15.3300 -10.6407 -10.6187 -10.5979 -10.5893 -10.4005 -10.3697 -10.3498 -10.3449 -10.3376 -10.3276 -10.3077 -10.3010 -3.1918 -3.1906 -2.9211 -2.9207 -1.6328 -1.6319 -1.4151 -1.4132 -1.3447 -1.3426 -1.2888 -1.2877 -0.3805 -0.3798 0.0548 0.0570 6.0403 6.0418 6.4351 6.4365 6.7019 6.7034 6.8985 6.9013 k = 0.2326-0.3587-0.2747 ( 4378 PWs) bands (ev): -26.9241 -26.9241 -26.9186 -26.9186 -15.3371 -15.3367 -15.3295 -15.3291 -10.6432 -10.6210 -10.5990 -10.5901 -10.4033 -10.3724 -10.3513 -10.3466 -10.3394 -10.3290 -10.3085 -10.3019 -3.1865 -3.1853 -2.9293 -2.9289 -1.6417 -1.6408 -1.4200 -1.4181 -1.3450 -1.3429 -1.2927 -1.2916 -0.3528 -0.3521 0.0558 0.0580 6.0318 6.0332 6.4614 6.4628 6.7255 6.7270 6.9009 6.9037 k = 0.2442-0.3766-0.2884 ( 4378 PWs) bands (ev): -26.9238 -26.9238 -26.9184 -26.9184 -15.3372 -15.3369 -15.3285 -15.3282 -10.6457 -10.6232 -10.6001 -10.5908 -10.4061 -10.3752 -10.3529 -10.3485 -10.3410 -10.3304 -10.3093 -10.3028 -3.1814 -3.1802 -2.9376 -2.9372 -1.6496 -1.6487 -1.4249 -1.4231 -1.3456 -1.3435 -1.2961 -1.2950 -0.3258 -0.3251 0.0567 0.0589 6.0222 6.0236 6.4881 6.4895 6.7487 6.7501 6.9053 6.9080 k = 0.2558-0.3945-0.3021 ( 4377 PWs) bands (ev): -26.9234 -26.9234 -26.9182 -26.9182 -15.3375 -15.3371 -15.3276 -15.3273 -10.6480 -10.6256 -10.6012 -10.5917 -10.4088 -10.3781 -10.3547 -10.3503 -10.3425 -10.3317 -10.3101 -10.3038 -3.1765 -3.1753 -2.9458 -2.9454 -1.6566 -1.6557 -1.4298 -1.4281 -1.3465 -1.3445 -1.2988 -1.2978 -0.2996 -0.2989 0.0574 0.0597 6.0118 6.0131 6.5151 6.5164 6.7707 6.7719 6.9122 6.9148 k = 0.2674-0.4124-0.3158 ( 4379 PWs) bands (ev): -26.9231 -26.9231 -26.9181 -26.9181 -15.3377 -15.3374 -15.3266 -15.3263 -10.6503 -10.6280 -10.6022 -10.5925 -10.4114 -10.3811 -10.3565 -10.3521 -10.3439 -10.3330 -10.3108 -10.3047 -3.1719 -3.1707 -2.9540 -2.9536 -1.6627 -1.6618 -1.4348 -1.4331 -1.3478 -1.3459 -1.3010 -1.3000 -0.2742 -0.2735 0.0581 0.0603 6.0007 6.0019 6.5422 6.5435 6.7908 6.7917 6.9221 6.9244 k = 0.2791-0.4304-0.3296 ( 4382 PWs) bands (ev): -26.9227 -26.9227 -26.9179 -26.9179 -15.3380 -15.3376 -15.3256 -15.3252 -10.6526 -10.6304 -10.6033 -10.5935 -10.4140 -10.3843 -10.3584 -10.3539 -10.3451 -10.3342 -10.3116 -10.3057 -3.1676 -3.1665 -2.9620 -2.9617 -1.6680 -1.6670 -1.4397 -1.4381 -1.3496 -1.3477 -1.3024 -1.3016 -0.2498 -0.2491 0.0586 0.0608 5.9890 5.9902 6.5693 6.5706 6.8083 6.8089 6.9354 6.9373 k = 0.2907-0.4483-0.3433 ( 4385 PWs) bands (ev): -26.9224 -26.9224 -26.9178 -26.9178 -15.3383 -15.3379 -15.3245 -15.3242 -10.6547 -10.6329 -10.6043 -10.5944 -10.4164 -10.3874 -10.3604 -10.3556 -10.3463 -10.3355 -10.3122 -10.3067 -3.1636 -3.1625 -2.9699 -2.9696 -1.6724 -1.6714 -1.4445 -1.4430 -1.3516 -1.3499 -1.3033 -1.3026 -0.2264 -0.2256 0.0590 0.0612 5.9769 5.9780 6.5963 6.5976 6.8226 6.8234 6.9522 6.9537 k = 0.3023-0.4662-0.3570 ( 4380 PWs) bands (ev): -26.9220 -26.9220 -26.9176 -26.9176 -15.3386 -15.3382 -15.3235 -15.3232 -10.6567 -10.6354 -10.6053 -10.5953 -10.4187 -10.3906 -10.3623 -10.3573 -10.3473 -10.3367 -10.3129 -10.3076 -3.1599 -3.1589 -2.9776 -2.9772 -1.6760 -1.6750 -1.4493 -1.4478 -1.3540 -1.3523 -1.3037 -1.3031 -0.2040 -0.2033 0.0594 0.0615 5.9645 5.9656 6.6229 6.6242 6.8339 6.8352 6.9720 6.9732 k = 0.3140-0.4842-0.3708 ( 4381 PWs) bands (ev): -26.9217 -26.9217 -26.9175 -26.9175 -15.3389 -15.3386 -15.3225 -15.3222 -10.6586 -10.6379 -10.6062 -10.5963 -10.4209 -10.3938 -10.3642 -10.3590 -10.3483 -10.3379 -10.3135 -10.3086 -3.1566 -3.1556 -2.9850 -2.9847 -1.6788 -1.6779 -1.4540 -1.4526 -1.3565 -1.3550 -1.3037 -1.3032 -0.1828 -0.1821 0.0596 0.0618 5.9520 5.9531 6.6489 6.6503 6.8430 6.8447 6.9940 6.9951 k = 0.3256-0.5021-0.3845 ( 4376 PWs) bands (ev): -26.9213 -26.9213 -26.9173 -26.9173 -15.3392 -15.3389 -15.3215 -15.3212 -10.6604 -10.6404 -10.6071 -10.5973 -10.4229 -10.3969 -10.3660 -10.3606 -10.3491 -10.3391 -10.3141 -10.3095 -3.1536 -3.1526 -2.9921 -2.9919 -1.6810 -1.6801 -1.4585 -1.4571 -1.3591 -1.3577 -1.3033 -1.3029 -0.1629 -0.1622 0.0599 0.0619 5.9396 5.9406 6.6742 6.6757 6.8504 6.8526 7.0174 7.0186 k = 0.3372-0.5200-0.3982 ( 4381 PWs) bands (ev): -26.9210 -26.9210 -26.9172 -26.9172 -15.3394 -15.3391 -15.3206 -15.3203 -10.6621 -10.6429 -10.6079 -10.5983 -10.4248 -10.4000 -10.3677 -10.3622 -10.3500 -10.3403 -10.3147 -10.3104 -3.1509 -3.1500 -2.9990 -2.9987 -1.6825 -1.6817 -1.4629 -1.4616 -1.3618 -1.3605 -1.3027 -1.3023 -0.1442 -0.1435 0.0601 0.0621 5.9274 5.9283 6.6984 6.7001 6.8568 6.8595 7.0416 7.0428 k = 0.3488-0.5380-0.4120 ( 4383 PWs) bands (ev): -26.9207 -26.9207 -26.9171 -26.9171 -15.3397 -15.3394 -15.3197 -15.3194 -10.6636 -10.6453 -10.6086 -10.5993 -10.4265 -10.4030 -10.3694 -10.3637 -10.3507 -10.3415 -10.3152 -10.3112 -3.1485 -3.1477 -3.0055 -3.0052 -1.6836 -1.6827 -1.4671 -1.4658 -1.3643 -1.3631 -1.3019 -1.3016 -0.1268 -0.1261 0.0603 0.0622 5.9155 5.9164 6.7213 6.7232 6.8627 6.8657 7.0660 7.0673 k = 0.3605-0.5559-0.4257 ( 4383 PWs) bands (ev): -26.9204 -26.9204 -26.9170 -26.9170 -15.3400 -15.3397 -15.3188 -15.3186 -10.6649 -10.6477 -10.6093 -10.6003 -10.4280 -10.4060 -10.3709 -10.3652 -10.3514 -10.3426 -10.3156 -10.3120 -3.1464 -3.1457 -3.0116 -3.0114 -1.6841 -1.6833 -1.4710 -1.4699 -1.3668 -1.3657 -1.3010 -1.3008 -0.1108 -0.1102 0.0606 0.0624 5.9041 5.9048 6.7425 6.7447 6.8684 6.8718 7.0902 7.0914 k = 0.3721-0.5738-0.4394 ( 4385 PWs) bands (ev): -26.9201 -26.9201 -26.9169 -26.9169 -15.3402 -15.3400 -15.3180 -15.3178 -10.6662 -10.6501 -10.6099 -10.6012 -10.4294 -10.4088 -10.3723 -10.3666 -10.3520 -10.3437 -10.3161 -10.3128 -3.1447 -3.1440 -3.0173 -3.0171 -1.6843 -1.6836 -1.4748 -1.4737 -1.3691 -1.3681 -1.3001 -1.2998 -0.0962 -0.0956 0.0610 0.0627 5.8931 5.8939 6.7617 6.7641 6.8744 6.8781 7.1137 7.1150 k = 0.3837-0.5918-0.4532 ( 4388 PWs) bands (ev): -26.9198 -26.9198 -26.9168 -26.9168 -15.3405 -15.3402 -15.3172 -15.3170 -10.6672 -10.6524 -10.6103 -10.6022 -10.4305 -10.4116 -10.3735 -10.3680 -10.3525 -10.3448 -10.3164 -10.3135 -3.1431 -3.1426 -3.0226 -3.0224 -1.6842 -1.6835 -1.4783 -1.4773 -1.3713 -1.3703 -1.2991 -1.2989 -0.0831 -0.0826 0.0615 0.0631 5.8829 5.8835 6.7786 6.7811 6.8811 6.8849 7.1362 7.1375 k = 0.3953-0.6097-0.4669 ( 4388 PWs) bands (ev): -26.9196 -26.9196 -26.9168 -26.9168 -15.3407 -15.3405 -15.3165 -15.3163 -10.6681 -10.6546 -10.6107 -10.6032 -10.4315 -10.4142 -10.3746 -10.3693 -10.3529 -10.3459 -10.3168 -10.3142 -3.1419 -3.1414 -3.0275 -3.0272 -1.6838 -1.6832 -1.4815 -1.4806 -1.3732 -1.3724 -1.2981 -1.2979 -0.0714 -0.0710 0.0622 0.0637 5.8733 5.8739 6.7928 6.7954 6.8886 6.8924 7.1576 7.1588 k = 0.4070-0.6276-0.4806 ( 4392 PWs) bands (ev): -26.9194 -26.9194 -26.9167 -26.9167 -15.3409 -15.3407 -15.3159 -15.3157 -10.6689 -10.6566 -10.6110 -10.6041 -10.4322 -10.4167 -10.3755 -10.3706 -10.3532 -10.3469 -10.3171 -10.3148 -3.1408 -3.1404 -3.0318 -3.0316 -1.6833 -1.6827 -1.4844 -1.4836 -1.3750 -1.3742 -1.2971 -1.2970 -0.0613 -0.0609 0.0631 0.0644 5.8646 5.8651 6.8043 6.8068 6.8970 6.9007 7.1775 7.1786 k = 0.4186-0.6456-0.4944 ( 4389 PWs) bands (ev): -26.9191 -26.9191 -26.9166 -26.9166 -15.3410 -15.3409 -15.3153 -15.3151 -10.6694 -10.6586 -10.6112 -10.6050 -10.4328 -10.4190 -10.3763 -10.3718 -10.3535 -10.3478 -10.3173 -10.3153 -3.1400 -3.1396 -3.0357 -3.0355 -1.6827 -1.6821 -1.4870 -1.4863 -1.3765 -1.3758 -1.2962 -1.2961 -0.0526 -0.0522 0.0641 0.0652 5.8567 5.8572 6.8133 6.8155 6.9061 6.9094 7.1957 7.1967 k = 0.4302-0.6635-0.5081 ( 4392 PWs) bands (ev): -26.9189 -26.9189 -26.9166 -26.9166 -15.3412 -15.3410 -15.3148 -15.3146 -10.6698 -10.6604 -10.6113 -10.6059 -10.4331 -10.4212 -10.3770 -10.3729 -10.3536 -10.3487 -10.3175 -10.3158 -3.1393 -3.1390 -3.0391 -3.0389 -1.6820 -1.6815 -1.4893 -1.4887 -1.3778 -1.3772 -1.2954 -1.2953 -0.0453 -0.0450 0.0652 0.0662 5.8498 5.8502 6.8200 6.8219 6.9154 6.9183 7.2120 7.2129 k = 0.4419-0.6814-0.5218 ( 4395 PWs) bands (ev): -26.9188 -26.9188 -26.9166 -26.9166 -15.3413 -15.3412 -15.3143 -15.3142 -10.6700 -10.6621 -10.6113 -10.6067 -10.4332 -10.4232 -10.3774 -10.3740 -10.3537 -10.3496 -10.3177 -10.3163 -3.1387 -3.1385 -3.0419 -3.0418 -1.6813 -1.6809 -1.4913 -1.4908 -1.3789 -1.3784 -1.2947 -1.2946 -0.0393 -0.0391 0.0663 0.0671 5.8439 5.8442 6.8249 6.8265 6.9242 6.9266 7.2261 7.2269 k = 0.4535-0.6994-0.5356 ( 4393 PWs) bands (ev): -26.9186 -26.9186 -26.9166 -26.9166 -15.3414 -15.3413 -15.3140 -15.3139 -10.6701 -10.6637 -10.6112 -10.6075 -10.4331 -10.4251 -10.3777 -10.3749 -10.3537 -10.3503 -10.3178 -10.3167 -3.1383 -3.1381 -3.0443 -3.0442 -1.6807 -1.6804 -1.4929 -1.4925 -1.3797 -1.3794 -1.2941 -1.2940 -0.0347 -0.0345 0.0674 0.0681 5.8390 5.8393 6.8285 6.8297 6.9321 6.9340 7.2380 7.2387 k = 0.4651-0.7173-0.5493 ( 4400 PWs) bands (ev): -26.9185 -26.9185 -26.9165 -26.9165 -15.3415 -15.3414 -15.3137 -15.3136 -10.6699 -10.6651 -10.6111 -10.6082 -10.4328 -10.4267 -10.3779 -10.3757 -10.3536 -10.3510 -10.3178 -10.3170 -3.1380 -3.1379 -3.0461 -3.0460 -1.6802 -1.6799 -1.4941 -1.4938 -1.3804 -1.3801 -1.2936 -1.2936 -0.0312 -0.0310 0.0684 0.0689 5.8351 5.8353 6.8310 6.8318 6.9387 6.9401 7.2475 7.2480 k = 0.4767-0.7352-0.5630 ( 4397 PWs) bands (ev): -26.9184 -26.9184 -26.9165 -26.9165 -15.3415 -15.3415 -15.3135 -15.3134 -10.6695 -10.6663 -10.6108 -10.6089 -10.4323 -10.4282 -10.3779 -10.3764 -10.3534 -10.3517 -10.3178 -10.3173 -3.1378 -3.1377 -3.0474 -3.0474 -1.6797 -1.6796 -1.4950 -1.4948 -1.3809 -1.3807 -1.2933 -1.2932 -0.0287 -0.0286 0.0693 0.0696 5.8324 5.8325 6.8326 6.8332 6.9437 6.9446 7.2543 7.2547 k = 0.4884-0.7532-0.5768 ( 4394 PWs) bands (ev): -26.9184 -26.9184 -26.9165 -26.9165 -15.3416 -15.3415 -15.3133 -15.3133 -10.6690 -10.6674 -10.6104 -10.6095 -10.4316 -10.4295 -10.3777 -10.3770 -10.3531 -10.3522 -10.3178 -10.3175 -3.1377 -3.1376 -3.0482 -3.0482 -1.6795 -1.6794 -1.4955 -1.4954 -1.3811 -1.3810 -1.2930 -1.2930 -0.0273 -0.0272 0.0698 0.0700 5.8307 5.8308 6.8336 6.8339 6.9468 6.9473 7.2586 7.2587 k = 0.5000-0.7711-0.5905 ( 4392 PWs) bands (ev): -26.9184 -26.9184 -26.9165 -26.9165 -15.3416 -15.3416 -15.3133 -15.3133 -10.6683 -10.6683 -10.6100 -10.6100 -10.4307 -10.4307 -10.3774 -10.3774 -10.3527 -10.3527 -10.3177 -10.3177 -3.1376 -3.1376 -3.0484 -3.0484 -1.6793 -1.6793 -1.4956 -1.4956 -1.3812 -1.3812 -1.2929 -1.2929 -0.0268 -0.0268 0.0700 0.0700 5.8302 5.8302 6.8340 6.8340 6.9480 6.9480 7.2600 7.2600 k = 0.5000-0.7711 0.5135 ( 4402 PWs) bands (ev): -26.9195 -26.9195 -26.9154 -26.9154 -15.3343 -15.3343 -15.3207 -15.3207 -10.6512 -10.6512 -10.6262 -10.6262 -10.4156 -10.4156 -10.3808 -10.3808 -10.3503 -10.3503 -10.3334 -10.3334 -3.0993 -3.0993 -3.0700 -3.0700 -1.6293 -1.6293 -1.5768 -1.5768 -1.3890 -1.3890 -1.3076 -1.3076 0.0112 0.0112 0.0751 0.0751 6.1337 6.1337 6.6221 6.6221 6.8352 6.8352 7.1747 7.1747 k = 0.4878-0.7523 0.5010 ( 4401 PWs) bands (ev): -26.9195 -26.9195 -26.9154 -26.9154 -15.3343 -15.3343 -15.3207 -15.3207 -10.6517 -10.6507 -10.6268 -10.6254 -10.4164 -10.4146 -10.3815 -10.3798 -10.3505 -10.3501 -10.3336 -10.3330 -3.1007 -3.1004 -3.0687 -3.0685 -1.6300 -1.6300 -1.5758 -1.5757 -1.3890 -1.3890 -1.3075 -1.3075 0.0093 0.0097 0.0756 0.0761 6.1341 6.1342 6.6212 6.6214 6.8343 6.8345 7.1735 7.1738 k = 0.4756-0.7335 0.4885 ( 4397 PWs) bands (ev): -26.9196 -26.9196 -26.9154 -26.9154 -15.3343 -15.3343 -15.3208 -15.3208 -10.6523 -10.6501 -10.6271 -10.6244 -10.4173 -10.4137 -10.3819 -10.3785 -10.3506 -10.3499 -10.3336 -10.3325 -3.1040 -3.1036 -3.0650 -3.0647 -1.6321 -1.6319 -1.5728 -1.5726 -1.3888 -1.3888 -1.3073 -1.3073 0.0042 0.0049 0.0776 0.0785 6.1355 6.1357 6.6188 6.6192 6.8319 6.8322 7.1702 7.1708 k = 0.4634-0.7147 0.4759 ( 4396 PWs) bands (ev): -26.9196 -26.9196 -26.9154 -26.9154 -15.3344 -15.3343 -15.3209 -15.3209 -10.6527 -10.6495 -10.6272 -10.6231 -10.4180 -10.4127 -10.3819 -10.3770 -10.3506 -10.3496 -10.3335 -10.3319 -3.1084 -3.1079 -3.0598 -3.0595 -1.6350 -1.6349 -1.5683 -1.5681 -1.3886 -1.3886 -1.3069 -1.3068 -0.0035 -0.0027 0.0804 0.0816 6.1378 6.1381 6.6148 6.6154 6.8280 6.8284 7.1648 7.1656 k = 0.4512-0.6959 0.4634 ( 4398 PWs) bands (ev): -26.9197 -26.9197 -26.9155 -26.9155 -15.3345 -15.3343 -15.3211 -15.3210 -10.6532 -10.6489 -10.6270 -10.6217 -10.4187 -10.4116 -10.3815 -10.3752 -10.3506 -10.3493 -10.3332 -10.3311 -3.1132 -3.1126 -3.0539 -3.0536 -1.6385 -1.6383 -1.5627 -1.5624 -1.3883 -1.3883 -1.3063 -1.3063 -0.0133 -0.0124 0.0835 0.0849 6.1410 6.1415 6.6092 6.6101 6.8227 6.8232 7.1573 7.1584 k = 0.4390-0.6771 0.4509 ( 4400 PWs) bands (ev): -26.9199 -26.9199 -26.9155 -26.9155 -15.3346 -15.3344 -15.3213 -15.3212 -10.6536 -10.6482 -10.6266 -10.6202 -10.4193 -10.4104 -10.3809 -10.3732 -10.3506 -10.3490 -10.3327 -10.3301 -3.1182 -3.1176 -3.0475 -3.0472 -1.6422 -1.6419 -1.5562 -1.5559 -1.3879 -1.3878 -1.3056 -1.3055 -0.0248 -0.0238 0.0866 0.0881 6.1451 6.1457 6.6023 6.6033 6.8160 6.8167 7.1478 7.1490 k = 0.4268-0.6583 0.4384 ( 4397 PWs) bands (ev): -26.9200 -26.9200 -26.9156 -26.9156 -15.3346 -15.3344 -15.3215 -15.3214 -10.6540 -10.6474 -10.6259 -10.6185 -10.4198 -10.4091 -10.3800 -10.3711 -10.3505 -10.3486 -10.3322 -10.3290 -3.1233 -3.1226 -3.0407 -3.0404 -1.6458 -1.6455 -1.5492 -1.5487 -1.3874 -1.3873 -1.3047 -1.3046 -0.0377 -0.0367 0.0894 0.0911 6.1501 6.1508 6.5939 6.5951 6.8082 6.8090 7.1362 7.1377 k = 0.4146-0.6394 0.4258 ( 4397 PWs) bands (ev): -26.9202 -26.9202 -26.9157 -26.9157 -15.3347 -15.3345 -15.3218 -15.3217 -10.6543 -10.6465 -10.6251 -10.6168 -10.4202 -10.4078 -10.3788 -10.3688 -10.3504 -10.3482 -10.3314 -10.3279 -3.1283 -3.1275 -3.0336 -3.0334 -1.6493 -1.6490 -1.5416 -1.5412 -1.3869 -1.3868 -1.3036 -1.3035 -0.0520 -0.0509 0.0918 0.0935 6.1558 6.1566 6.5842 6.5855 6.7993 6.8003 7.1227 7.1244 k = 0.4024-0.6206 0.4133 ( 4392 PWs) bands (ev): -26.9204 -26.9204 -26.9158 -26.9158 -15.3348 -15.3346 -15.3221 -15.3220 -10.6545 -10.6455 -10.6240 -10.6150 -10.4203 -10.4062 -10.3773 -10.3665 -10.3502 -10.3477 -10.3306 -10.3266 -3.1333 -3.1324 -3.0263 -3.0261 -1.6524 -1.6521 -1.5338 -1.5333 -1.3863 -1.3861 -1.3023 -1.3023 -0.0674 -0.0663 0.0936 0.0955 6.1622 6.1631 6.5733 6.5747 6.7894 6.7906 7.1073 7.1093 k = 0.3902-0.6018 0.4008 ( 4393 PWs) bands (ev): -26.9206 -26.9206 -26.9159 -26.9159 -15.3350 -15.3346 -15.3225 -15.3224 -10.6545 -10.6443 -10.6228 -10.6131 -10.4204 -10.4046 -10.3757 -10.3642 -10.3499 -10.3471 -10.3296 -10.3252 -3.1382 -3.1373 -3.0188 -3.0186 -1.6553 -1.6549 -1.5257 -1.5251 -1.3856 -1.3854 -1.3009 -1.3008 -0.0839 -0.0829 0.0950 0.0969 6.1693 6.1703 6.5612 6.5627 6.7788 6.7802 7.0903 7.0925 k = 0.3780-0.5830 0.3883 ( 4390 PWs) bands (ev): -26.9208 -26.9208 -26.9160 -26.9160 -15.3351 -15.3347 -15.3230 -15.3228 -10.6544 -10.6431 -10.6215 -10.6113 -10.4202 -10.4028 -10.3739 -10.3619 -10.3495 -10.3465 -10.3285 -10.3237 -3.1430 -3.1420 -3.0112 -3.0110 -1.6577 -1.6573 -1.5174 -1.5168 -1.3848 -1.3846 -1.2993 -1.2992 -0.1015 -0.1005 0.0958 0.0978 6.1768 6.1779 6.5482 6.5498 6.7674 6.7690 7.0717 7.0742 k = 0.3659-0.5642 0.3757 ( 4391 PWs) bands (ev): -26.9211 -26.9211 -26.9162 -26.9162 -15.3352 -15.3348 -15.3234 -15.3233 -10.6542 -10.6417 -10.6200 -10.6094 -10.4198 -10.4009 -10.3719 -10.3597 -10.3491 -10.3458 -10.3273 -10.3221 -3.1477 -3.1467 -3.0034 -3.0033 -1.6596 -1.6592 -1.5091 -1.5084 -1.3840 -1.3837 -1.2976 -1.2975 -0.1201 -0.1191 0.0962 0.0982 6.1846 6.1858 6.5344 6.5360 6.7554 6.7572 7.0518 7.0545 k = 0.3537-0.5454 0.3632 ( 4389 PWs) bands (ev): -26.9213 -26.9213 -26.9163 -26.9163 -15.3353 -15.3349 -15.3239 -15.3238 -10.6538 -10.6402 -10.6185 -10.6075 -10.4193 -10.3988 -10.3699 -10.3576 -10.3486 -10.3449 -10.3260 -10.3205 -3.1523 -3.1514 -2.9956 -2.9954 -1.6609 -1.6605 -1.5006 -1.4999 -1.3831 -1.3828 -1.2956 -1.2955 -0.1396 -0.1386 0.0960 0.0981 6.1925 6.1939 6.5201 6.5217 6.7427 6.7447 7.0309 7.0338 k = 0.3415-0.5266 0.3507 ( 4383 PWs) bands (ev): -26.9216 -26.9216 -26.9165 -26.9165 -15.3353 -15.3349 -15.3245 -15.3244 -10.6532 -10.6386 -10.6168 -10.6057 -10.4185 -10.3965 -10.3677 -10.3555 -10.3480 -10.3440 -10.3246 -10.3188 -3.1569 -3.1559 -2.9876 -2.9874 -1.6616 -1.6612 -1.4922 -1.4914 -1.3822 -1.3819 -1.2935 -1.2933 -0.1601 -0.1591 0.0954 0.0976 6.2003 6.2019 6.5055 6.5070 6.7295 6.7317 7.0093 7.0125 k = 0.3293-0.5078 0.3382 ( 4383 PWs) bands (ev): -26.9219 -26.9219 -26.9167 -26.9167 -15.3354 -15.3350 -15.3251 -15.3249 -10.6524 -10.6369 -10.6151 -10.6039 -10.4175 -10.3942 -10.3654 -10.3536 -10.3473 -10.3429 -10.3231 -10.3172 -3.1615 -3.1605 -2.9795 -2.9793 -1.6617 -1.6612 -1.4838 -1.4829 -1.3812 -1.3809 -1.2912 -1.2910 -0.1815 -0.1805 0.0944 0.0966 6.2078 6.2095 6.4907 6.4922 6.7156 6.7180 6.9875 6.9909 k = 0.3171-0.4890 0.3256 ( 4377 PWs) bands (ev): -26.9222 -26.9222 -26.9168 -26.9168 -15.3355 -15.3351 -15.3257 -15.3255 -10.6514 -10.6351 -10.6134 -10.6021 -10.4163 -10.3916 -10.3632 -10.3519 -10.3465 -10.3418 -10.3216 -10.3154 -3.1661 -3.1650 -2.9714 -2.9712 -1.6610 -1.6605 -1.4754 -1.4745 -1.3802 -1.3798 -1.2888 -1.2885 -0.2037 -0.2028 0.0931 0.0953 6.2145 6.2164 6.4762 6.4777 6.7011 6.7037 6.9659 6.9695 k = 0.3049-0.4702 0.3131 ( 4377 PWs) bands (ev): -26.9225 -26.9225 -26.9170 -26.9170 -15.3356 -15.3351 -15.3264 -15.3262 -10.6503 -10.6333 -10.6117 -10.6004 -10.4148 -10.3890 -10.3609 -10.3503 -10.3456 -10.3404 -10.3200 -10.3137 -3.1706 -3.1695 -2.9632 -2.9630 -1.6596 -1.6590 -1.4672 -1.4663 -1.3792 -1.3787 -1.2861 -1.2859 -0.2268 -0.2259 0.0913 0.0936 6.2200 6.2221 6.4621 6.4637 6.6858 6.6885 6.9450 6.9488 k = 0.2927-0.4514 0.3006 ( 4379 PWs) bands (ev): -26.9228 -26.9228 -26.9172 -26.9172 -15.3357 -15.3352 -15.3270 -15.3269 -10.6490 -10.6313 -10.6099 -10.5988 -10.4132 -10.3863 -10.3587 -10.3488 -10.3446 -10.3390 -10.3185 -10.3120 -3.1752 -3.1741 -2.9550 -2.9547 -1.6573 -1.6567 -1.4591 -1.4581 -1.3781 -1.3776 -1.2834 -1.2831 -0.2507 -0.2499 0.0893 0.0915 6.2241 6.2263 6.4486 6.4504 6.6697 6.6725 6.9255 6.9294 k = 0.2805-0.4326 0.2881 ( 4383 PWs) bands (ev): -26.9232 -26.9232 -26.9174 -26.9174 -15.3358 -15.3353 -15.3277 -15.3275 -10.6475 -10.6293 -10.6082 -10.5972 -10.4114 -10.3835 -10.3566 -10.3474 -10.3435 -10.3375 -10.3169 -10.3104 -3.1798 -3.1787 -2.9467 -2.9465 -1.6541 -1.6535 -1.4513 -1.4502 -1.3770 -1.3764 -1.2804 -1.2801 -0.2753 -0.2745 0.0870 0.0892 6.2262 6.2286 6.4361 6.4380 6.6528 6.6558 6.9078 6.9118 k = 0.2683-0.4138 0.2755 ( 4382 PWs) bands (ev): -26.9235 -26.9235 -26.9176 -26.9176 -15.3359 -15.3354 -15.3284 -15.3282 -10.6459 -10.6272 -10.6065 -10.5957 -10.4094 -10.3807 -10.3546 -10.3461 -10.3423 -10.3359 -10.3153 -10.3087 -3.1845 -3.1834 -2.9385 -2.9383 -1.6500 -1.6494 -1.4436 -1.4425 -1.3759 -1.3752 -1.2773 -1.2770 -0.3007 -0.2999 0.0844 0.0867 6.2260 6.2287 6.4244 6.4266 6.6353 6.6383 6.8924 6.8965 k = 0.2561-0.3950 0.2630 ( 4377 PWs) bands (ev): -26.9239 -26.9239 -26.9178 -26.9178 -15.3360 -15.3355 -15.3291 -15.3289 -10.6441 -10.6251 -10.6048 -10.5943 -10.4072 -10.3779 -10.3528 -10.3448 -10.3409 -10.3342 -10.3137 -10.3072 -3.1893 -3.1881 -2.9303 -2.9301 -1.6449 -1.6443 -1.4362 -1.4351 -1.3747 -1.3740 -1.2741 -1.2737 -0.3268 -0.3260 0.0817 0.0840 6.2235 6.2263 6.4134 6.4159 6.6175 6.6204 6.8798 6.8838 k = 0.2439-0.3761 0.2505 ( 4378 PWs) bands (ev): -26.9242 -26.9242 -26.9180 -26.9180 -15.3361 -15.3357 -15.3297 -15.3295 -10.6422 -10.6230 -10.6031 -10.5930 -10.4049 -10.3750 -10.3511 -10.3436 -10.3393 -10.3325 -10.3122 -10.3057 -3.1941 -3.1929 -2.9222 -2.9220 -1.6388 -1.6381 -1.4291 -1.4279 -1.3735 -1.3726 -1.2707 -1.2703 -0.3535 -0.3528 0.0789 0.0811 6.2186 6.2215 6.4026 6.4054 6.5996 6.6025 6.8701 6.8741 k = 0.2317-0.3573 0.2380 ( 4379 PWs) bands (ev): -26.9245 -26.9245 -26.9182 -26.9182 -15.3364 -15.3359 -15.3302 -15.3300 -10.6401 -10.6209 -10.6015 -10.5917 -10.4025 -10.3723 -10.3496 -10.3424 -10.3375 -10.3307 -10.3107 -10.3042 -3.1989 -3.1978 -2.9142 -2.9140 -1.6316 -1.6310 -1.4224 -1.4211 -1.3723 -1.3713 -1.2673 -1.2668 -0.3807 -0.3801 0.0759 0.0780 6.2116 6.2146 6.3914 6.3944 6.5824 6.5852 6.8636 6.8674 k = 0.2195-0.3385 0.2254 ( 4379 PWs) bands (ev): -26.9248 -26.9248 -26.9184 -26.9184 -15.3366 -15.3362 -15.3307 -15.3305 -10.6380 -10.6188 -10.6000 -10.5906 -10.3999 -10.3696 -10.3483 -10.3413 -10.3355 -10.3288 -10.3093 -10.3029 -3.2039 -3.2027 -2.9064 -2.9061 -1.6234 -1.6228 -1.4160 -1.4147 -1.3709 -1.3698 -1.2637 -1.2632 -0.4085 -0.4079 0.0728 0.0749 6.2029 6.2059 6.3791 6.3823 6.5663 6.5689 6.8601 6.8638 k = 0.2073-0.3197 0.2129 ( 4377 PWs) bands (ev): -26.9252 -26.9252 -26.9186 -26.9186 -15.3370 -15.3366 -15.3311 -15.3309 -10.6357 -10.6167 -10.5986 -10.5896 -10.3972 -10.3670 -10.3471 -10.3403 -10.3334 -10.3269 -10.3079 -10.3017 -3.2089 -3.2077 -2.8987 -2.8984 -1.6142 -1.6135 -1.4100 -1.4086 -1.3694 -1.3682 -1.2600 -1.2595 -0.4368 -0.4362 0.0696 0.0717 6.1929 6.1959 6.3652 6.3684 6.5518 6.5542 6.8596 6.8631 k = 0.1951-0.3009 0.2004 ( 4379 PWs) bands (ev): -26.9255 -26.9255 -26.9188 -26.9188 -15.3375 -15.3371 -15.3314 -15.3312 -10.6333 -10.6146 -10.5972 -10.5887 -10.3944 -10.3646 -10.3460 -10.3394 -10.3312 -10.3250 -10.3066 -10.3005 -3.2139 -3.2128 -2.8912 -2.8909 -1.6040 -1.6033 -1.4045 -1.4031 -1.3679 -1.3664 -1.2562 -1.2556 -0.4654 -0.4648 0.0664 0.0685 6.1820 6.1849 6.3495 6.3526 6.5390 6.5411 6.8617 6.8650 k = 0.1829-0.2821 0.1879 ( 4376 PWs) bands (ev): -26.9258 -26.9258 -26.9190 -26.9190 -15.3380 -15.3376 -15.3316 -15.3313 -10.6309 -10.6126 -10.5959 -10.5878 -10.3915 -10.3624 -10.3451 -10.3385 -10.3290 -10.3229 -10.3053 -10.2995 -3.2189 -3.2178 -2.8839 -2.8836 -1.5928 -1.5920 -1.3995 -1.3979 -1.3661 -1.3645 -1.2523 -1.2517 -0.4942 -0.4937 0.0633 0.0652 6.1705 6.1734 6.3319 6.3349 6.5279 6.5298 6.8662 6.8692 k = 0.1707-0.2633 0.1753 ( 4379 PWs) bands (ev): -26.9261 -26.9261 -26.9192 -26.9192 -15.3386 -15.3382 -15.3317 -15.3314 -10.6285 -10.6107 -10.5948 -10.5871 -10.3886 -10.3604 -10.3442 -10.3377 -10.3267 -10.3209 -10.3041 -10.2986 -3.2239 -3.2229 -2.8769 -2.8766 -1.5807 -1.5799 -1.3950 -1.3933 -1.3642 -1.3624 -1.2484 -1.2477 -0.5233 -0.5228 0.0602 0.0620 6.1588 6.1616 6.3130 6.3159 6.5183 6.5199 6.8726 6.8754 k = 0.1585-0.2445 0.1628 ( 4381 PWs) bands (ev): -26.9264 -26.9264 -26.9194 -26.9194 -15.3392 -15.3389 -15.3317 -15.3315 -10.6260 -10.6089 -10.5937 -10.5866 -10.3857 -10.3586 -10.3434 -10.3370 -10.3243 -10.3188 -10.3030 -10.2978 -3.2288 -3.2279 -2.8703 -2.8700 -1.5678 -1.5671 -1.3910 -1.3893 -1.3621 -1.3601 -1.2443 -1.2436 -0.5524 -0.5519 0.0571 0.0589 6.1471 6.1499 6.2933 6.2960 6.5099 6.5112 6.8805 6.8831 k = 0.1463-0.2257 0.1503 ( 4385 PWs) bands (ev): -26.9267 -26.9267 -26.9196 -26.9196 -15.3399 -15.3396 -15.3317 -15.3315 -10.6236 -10.6071 -10.5927 -10.5861 -10.3827 -10.3570 -10.3427 -10.3364 -10.3219 -10.3167 -10.3020 -10.2971 -3.2337 -3.2327 -2.8639 -2.8637 -1.5544 -1.5536 -1.3875 -1.3856 -1.3599 -1.3577 -1.2402 -1.2395 -0.5814 -0.5810 0.0541 0.0558 6.1356 6.1383 6.2733 6.2758 6.5023 6.5034 6.8895 6.8918 k = 0.1341-0.2069 0.1378 ( 4393 PWs) bands (ev): -26.9269 -26.9269 -26.9197 -26.9197 -15.3405 -15.3402 -15.3317 -15.3314 -10.6211 -10.6055 -10.5919 -10.5857 -10.3798 -10.3556 -10.3421 -10.3360 -10.3196 -10.3146 -10.3011 -10.2966 -3.2384 -3.2375 -2.8580 -2.8577 -1.5404 -1.5396 -1.3844 -1.3825 -1.3575 -1.3552 -1.2359 -1.2352 -0.6101 -0.6097 0.0513 0.0528 6.1244 6.1270 6.2537 6.2560 6.4953 6.4962 6.8990 6.9012 k = 0.1220-0.1881 0.1252 ( 4392 PWs) bands (ev): -26.9272 -26.9272 -26.9199 -26.9199 -15.3411 -15.3409 -15.3316 -15.3314 -10.6187 -10.6040 -10.5911 -10.5855 -10.3770 -10.3544 -10.3415 -10.3357 -10.3172 -10.3126 -10.3003 -10.2962 -3.2429 -3.2420 -2.8524 -2.8522 -1.5263 -1.5254 -1.3816 -1.3796 -1.3551 -1.3527 -1.2316 -1.2308 -0.6384 -0.6380 0.0486 0.0500 6.1138 6.1162 6.2347 6.2369 6.4889 6.4897 6.9088 6.9107 k = 0.1098-0.1693 0.1127 ( 4394 PWs) bands (ev): -26.9274 -26.9274 -26.9200 -26.9200 -15.3417 -15.3415 -15.3315 -15.3313 -10.6163 -10.6026 -10.5904 -10.5854 -10.3741 -10.3534 -10.3410 -10.3355 -10.3150 -10.3106 -10.2996 -10.2958 -3.2471 -3.2464 -2.8473 -2.8471 -1.5121 -1.5113 -1.3791 -1.3771 -1.3527 -1.3502 -1.2272 -1.2264 -0.6659 -0.6656 0.0460 0.0474 6.1037 6.1059 6.2170 6.2190 6.4830 6.4836 6.9185 6.9202 k = 0.0976-0.1505 0.1002 ( 4391 PWs) bands (ev): -26.9276 -26.9276 -26.9202 -26.9202 -15.3423 -15.3421 -15.3314 -15.3312 -10.6139 -10.6014 -10.5899 -10.5853 -10.3714 -10.3527 -10.3405 -10.3354 -10.3128 -10.3086 -10.2990 -10.2956 -3.2511 -3.2504 -2.8426 -2.8424 -1.4983 -1.4975 -1.3767 -1.3747 -1.3505 -1.3479 -1.2226 -1.2218 -0.6925 -0.6922 0.0437 0.0449 6.0942 6.0964 6.2006 6.2025 6.4775 6.4780 6.9277 6.9292 k = 0.0854-0.1317 0.0877 ( 4393 PWs) bands (ev): -26.9278 -26.9278 -26.9203 -26.9203 -15.3428 -15.3426 -15.3313 -15.3311 -10.6117 -10.6003 -10.5894 -10.5854 -10.3687 -10.3521 -10.3401 -10.3355 -10.3107 -10.3068 -10.2986 -10.2955 -3.2547 -3.2541 -2.8385 -2.8383 -1.4852 -1.4844 -1.3744 -1.3723 -1.3484 -1.3458 -1.2179 -1.2172 -0.7177 -0.7175 0.0416 0.0427 6.0856 6.0875 6.1860 6.1877 6.4725 6.4729 6.9362 6.9375 k = 0.0732-0.1128 0.0751 ( 4390 PWs) bands (ev): -26.9279 -26.9279 -26.9204 -26.9204 -15.3433 -15.3431 -15.3312 -15.3310 -10.6096 -10.5995 -10.5890 -10.5855 -10.3662 -10.3517 -10.3397 -10.3356 -10.3088 -10.3051 -10.2983 -10.2954 -3.2580 -3.2574 -2.8348 -2.8346 -1.4731 -1.4723 -1.3721 -1.3700 -1.3465 -1.3439 -1.2133 -1.2125 -0.7412 -0.7411 0.0398 0.0407 6.0777 6.0794 6.1732 6.1746 6.4681 6.4684 6.9438 6.9449 k = 0.0610-0.0940 0.0626 ( 4390 PWs) bands (ev): -26.9281 -26.9281 -26.9205 -26.9205 -15.3436 -15.3435 -15.3311 -15.3310 -10.6075 -10.5988 -10.5887 -10.5857 -10.3638 -10.3516 -10.3393 -10.3359 -10.3070 -10.3034 -10.2982 -10.2954 -3.2608 -3.2603 -2.8317 -2.8315 -1.4623 -1.4616 -1.3697 -1.3677 -1.3448 -1.3424 -1.2086 -1.2079 -0.7626 -0.7624 0.0382 0.0390 6.0709 6.0723 6.1623 6.1636 6.4642 6.4645 6.9504 6.9513 k = 0.0488-0.0752 0.0501 ( 4389 PWs) bands (ev): -26.9282 -26.9282 -26.9205 -26.9205 -15.3440 -15.3439 -15.3310 -15.3309 -10.6057 -10.5985 -10.5884 -10.5859 -10.3616 -10.3517 -10.3390 -10.3362 -10.3054 -10.3020 -10.2982 -10.2955 -3.2631 -3.2628 -2.8291 -2.8289 -1.4532 -1.4526 -1.3674 -1.3655 -1.3435 -1.3412 -1.2042 -1.2036 -0.7812 -0.7811 0.0369 0.0375 6.0651 6.0663 6.1534 6.1545 6.4609 6.4611 6.9559 6.9566 k = 0.0366-0.0564 0.0376 ( 4387 PWs) bands (ev): -26.9283 -26.9283 -26.9206 -26.9206 -15.3442 -15.3442 -15.3309 -15.3308 -10.6039 -10.5984 -10.5881 -10.5862 -10.3595 -10.3520 -10.3386 -10.3365 -10.3040 -10.3007 -10.2984 -10.2958 -3.2650 -3.2647 -2.8270 -2.8269 -1.4461 -1.4456 -1.3652 -1.3635 -1.3423 -1.3404 -1.2003 -1.1998 -0.7966 -0.7965 0.0359 0.0363 6.0605 6.0614 6.1466 6.1474 6.4584 6.4585 6.9601 6.9607 k = 0.0244-0.0376 0.0250 ( 4387 PWs) bands (ev): -26.9283 -26.9283 -26.9206 -26.9206 -15.3444 -15.3444 -15.3309 -15.3308 -10.6024 -10.5986 -10.5878 -10.5865 -10.3577 -10.3527 -10.3383 -10.3369 -10.3027 -10.2999 -10.2985 -10.2961 -3.2663 -3.2661 -2.8255 -2.8255 -1.4409 -1.4406 -1.3633 -1.3620 -1.3414 -1.3400 -1.1972 -1.1968 -0.8081 -0.8081 0.0351 0.0355 6.0571 6.0577 6.1417 6.1423 6.4565 6.4566 6.9632 6.9636 k = 0.0122-0.0188 0.0125 ( 4377 PWs) bands (ev): -26.9283 -26.9283 -26.9206 -26.9206 -15.3445 -15.3445 -15.3308 -15.3308 -10.6011 -10.5992 -10.5875 -10.5868 -10.3560 -10.3535 -10.3380 -10.3372 -10.3016 -10.3000 -10.2980 -10.2966 -3.2671 -3.2670 -2.8246 -2.8246 -1.4378 -1.4376 -1.3618 -1.3611 -1.3407 -1.3399 -1.1950 -1.1949 -0.8153 -0.8152 0.0348 0.0349 6.0552 6.0555 6.1389 6.1392 6.4554 6.4554 6.9652 6.9653 k = 0.0000 0.0000 0.0000 ( 4375 PWs) bands (ev): -26.9283 -26.9283 -26.9206 -26.9206 -15.3445 -15.3445 -15.3308 -15.3308 -10.6000 -10.6000 -10.5871 -10.5871 -10.3547 -10.3547 -10.3376 -10.3376 -10.3007 -10.3007 -10.2972 -10.2972 -3.2673 -3.2673 -2.8243 -2.8243 -1.4367 -1.4367 -1.3610 -1.3610 -1.3402 -1.3402 -1.1943 -1.1943 -0.8177 -0.8177 0.0347 0.0347 6.0546 6.0546 6.1381 6.1381 6.4550 6.4550 6.9658 6.9658 Writing output data file KCN.save init_run : 3.28s CPU 12.29s WALL ( 1 calls) electrons : 743.89s CPU 750.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.50s CPU 1.78s WALL ( 1 calls) Called by electrons: c_bands : 743.86s CPU 750.20s WALL ( 1 calls) v_of_rho : 0.17s CPU 1.01s WALL ( 1 calls) v_h : 0.04s CPU 0.10s WALL ( 1 calls) v_xc : 0.12s CPU 0.68s WALL ( 1 calls) newd : 0.50s CPU 0.55s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 364 calls) cegterg : 675.98s CPU 680.09s WALL ( 670 calls) Called by sum_band: Called by *egterg: h_psi : 538.59s CPU 545.04s WALL ( 9037 calls) s_psi : 18.29s CPU 18.49s WALL ( 9037 calls) g_psi : 0.48s CPU 0.54s WALL ( 8003 calls) cdiaghg : 107.09s CPU 105.87s WALL ( 8367 calls) cegterg:over : 35.83s CPU 33.12s WALL ( 8003 calls) cegterg:upda : 6.29s CPU 8.71s WALL ( 8003 calls) cegterg:last : 5.91s CPU 6.61s WALL ( 1762 calls) Called by h_psi: h_psi:vloc : 496.13s CPU 501.89s WALL ( 9037 calls) h_psi:vnl : 42.24s CPU 42.58s WALL ( 9037 calls) add_vuspsi : 11.34s CPU 14.72s WALL ( 9037 calls) General routines calbec : 30.87s CPU 27.74s WALL ( 9037 calls) fft : 0.33s CPU 1.54s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 439.68s CPU 446.58s WALL ( 966832 calls) interpolate : 0.07s CPU 0.16s WALL ( 4 calls) davcio : 0.04s CPU 1.16s WALL ( 728 calls) Parallel routines fft_scatter : 215.07s CPU 224.83s WALL ( 966855 calls) PWSCF : 13m16.08s CPU 14m30.56s WALL This run was terminated on: 19:18:55 12Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=