Program PWSCF v.5.3.0 (svn rev. 11974) starts on 28Nov2016 at 17:28:23 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 64 processors R & G space division: proc/nbgrp/npool/nimage = 64 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: ./Ca3SiBr2.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Ca.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 62 45 13 1602 986 152 Max 63 46 14 1604 1005 154 Sum 3983 2891 833 102555 63797 9795 bravais-lattice index = 14 lattice parameter (alat) = 21.7659 a.u. unit-cell volume = 1338.1924 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 21.765864 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.923076 celldm(5)= 0.923076 celldm(6)= 0.923076 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.923076 0.384618 0.000000 ) a(3) = ( 0.923076 0.184616 0.337413 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.399984 -1.422589 ) b(2) = ( 0.000000 2.599985 -1.422589 ) b(3) = ( 0.000000 0.000000 2.963728 ) PseudoPot. # 1 for Br read from file: /home/autes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /home/autes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 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 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Br 7.00 79.90400 Br( 1.00) Ca 10.00 40.07800 Ca( 1.00) Si 4.00 28.08550 Si( 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 and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 261 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 2) = ( 0.0121951 -0.0292681 -0.0173486), wk = 0.0038314 k( 3) = ( 0.0243902 -0.0585362 -0.0346973), wk = 0.0038314 k( 4) = ( 0.0365854 -0.0878043 -0.0520459), wk = 0.0038314 k( 5) = ( 0.0487805 -0.1170724 -0.0693946), wk = 0.0038314 k( 6) = ( 0.0609756 -0.1463405 -0.0867432), wk = 0.0038314 k( 7) = ( 0.0731707 -0.1756086 -0.1040918), wk = 0.0038314 k( 8) = ( 0.0853658 -0.2048767 -0.1214405), wk = 0.0038314 k( 9) = ( 0.0975610 -0.2341448 -0.1387891), wk = 0.0038314 k( 10) = ( 0.1097561 -0.2634129 -0.1561378), wk = 0.0038314 k( 11) = ( 0.1219512 -0.2926810 -0.1734864), wk = 0.0038314 k( 12) = ( 0.1341463 -0.3219491 -0.1908350), wk = 0.0038314 k( 13) = ( 0.1463415 -0.3512172 -0.2081837), wk = 0.0038314 k( 14) = ( 0.1585366 -0.3804853 -0.2255323), wk = 0.0038314 k( 15) = ( 0.1707317 -0.4097534 -0.2428810), wk = 0.0038314 k( 16) = ( 0.1829268 -0.4390215 -0.2602296), wk = 0.0038314 k( 17) = ( 0.1951219 -0.4682896 -0.2775783), wk = 0.0038314 k( 18) = ( 0.2073171 -0.4975577 -0.2949269), wk = 0.0038314 k( 19) = ( 0.2195122 -0.5268258 -0.3122755), wk = 0.0038314 k( 20) = ( 0.2317073 -0.5560939 -0.3296242), wk = 0.0038314 k( 21) = ( 0.2439024 -0.5853620 -0.3469728), wk = 0.0038314 k( 22) = ( 0.2560976 -0.6146301 -0.3643215), wk = 0.0038314 k( 23) = ( 0.2682927 -0.6438982 -0.3816701), wk = 0.0038314 k( 24) = ( 0.2804878 -0.6731663 -0.3990187), wk = 0.0038314 k( 25) = ( 0.2926829 -0.7024344 -0.4163674), wk = 0.0038314 k( 26) = ( 0.3048781 -0.7317025 -0.4337160), wk = 0.0038314 k( 27) = ( 0.3170732 -0.7609706 -0.4510647), wk = 0.0038314 k( 28) = ( 0.3292683 -0.7902386 -0.4684133), wk = 0.0038314 k( 29) = ( 0.3414634 -0.8195067 -0.4857619), wk = 0.0038314 k( 30) = ( 0.3536585 -0.8487749 -0.5031106), wk = 0.0038314 k( 31) = ( 0.3658537 -0.8780430 -0.5204592), wk = 0.0038314 k( 32) = ( 0.3780488 -0.9073110 -0.5378079), wk = 0.0038314 k( 33) = ( 0.3902439 -0.9365791 -0.5551565), wk = 0.0038314 k( 34) = ( 0.4024390 -0.9658472 -0.5725051), wk = 0.0038314 k( 35) = ( 0.4146341 -0.9951154 -0.5898538), wk = 0.0038314 k( 36) = ( 0.4268293 -1.0243834 -0.6072024), wk = 0.0038314 k( 37) = ( 0.4390244 -1.0536515 -0.6245511), wk = 0.0038314 k( 38) = ( 0.4512195 -1.0829196 -0.6418997), wk = 0.0038314 k( 39) = ( 0.4634146 -1.1121877 -0.6592483), wk = 0.0038314 k( 40) = ( 0.4756098 -1.1414558 -0.6765970), wk = 0.0038314 k( 41) = ( 0.4878049 -1.1707239 -0.6939456), wk = 0.0038314 k( 42) = ( 0.5000000 -1.1999920 -0.7112943), wk = 0.0038314 k( 43) = ( 0.5000000 -1.1999920 -0.7112943), wk = 0.0038314 k( 44) = ( 0.5000000 -1.1817219 -0.7421171), wk = 0.0038314 k( 45) = ( 0.5000000 -1.1634517 -0.7729398), wk = 0.0038314 k( 46) = ( 0.5000000 -1.1451815 -0.8037626), wk = 0.0038314 k( 47) = ( 0.5000000 -1.1269113 -0.8345854), wk = 0.0038314 k( 48) = ( 0.5000000 -1.1086411 -0.8654082), wk = 0.0038314 k( 49) = ( 0.5000000 -1.0903710 -0.8962310), wk = 0.0038314 k( 50) = ( 0.5000000 -1.0721008 -0.9270538), wk = 0.0038314 k( 51) = ( 0.5000000 -1.0538306 -0.9578765), wk = 0.0038314 k( 52) = ( 0.5000000 -1.0355604 -0.9886993), wk = 0.0038314 k( 53) = ( 0.5000000 -1.0172902 -1.0195221), wk = 0.0038314 k( 54) = ( 0.5000000 -0.9990201 -1.0503449), wk = 0.0038314 k( 55) = ( 0.5000000 -0.9807499 -1.0811677), wk = 0.0038314 k( 56) = ( 0.5000000 -0.9624797 -1.1119905), wk = 0.0038314 k( 57) = ( 0.5000000 -0.9442095 -1.1428132), wk = 0.0038314 k( 58) = ( 0.5000000 -0.9259394 -1.1736360), wk = 0.0038314 k( 59) = ( 0.5000000 -0.9076692 -1.2044588), wk = 0.0038314 k( 60) = ( 0.5000000 -0.8893990 -1.2352816), wk = 0.0038314 k( 61) = ( 0.5000000 -0.8711288 -1.2661044), wk = 0.0038314 k( 62) = ( 0.5000000 -0.8528586 -1.2969271), wk = 0.0038314 k( 63) = ( 0.5000000 -0.8345885 -1.3277499), wk = 0.0038314 k( 64) = ( 0.5000000 -0.8163183 -1.3585727), wk = 0.0038314 k( 65) = ( 0.5000000 -0.7980481 -1.3893955), wk = 0.0038314 k( 66) = ( 0.5000000 -0.7797779 -1.4202183), wk = 0.0038314 k( 67) = ( 0.5000000 -0.7615077 -1.4510411), wk = 0.0038314 k( 68) = ( 0.5000000 -0.7432376 -1.4818638), wk = 0.0038314 k( 69) = ( 0.8243242 -0.6783723 -1.3633133), wk = 0.0038314 k( 70) = ( 0.8172737 -0.6614512 -1.3323875), wk = 0.0038314 k( 71) = ( 0.8102232 -0.6445300 -1.3014616), wk = 0.0038314 k( 72) = ( 0.8031726 -0.6276089 -1.2705357), wk = 0.0038314 k( 73) = ( 0.7961221 -0.6106877 -1.2396099), wk = 0.0038314 k( 74) = ( 0.7890716 -0.5937666 -1.2086841), wk = 0.0038314 k( 75) = ( 0.7820210 -0.5768454 -1.1777582), wk = 0.0038314 k( 76) = ( 0.7749705 -0.5599243 -1.1468324), wk = 0.0038314 k( 77) = ( 0.7679200 -0.5430031 -1.1159066), wk = 0.0038314 k( 78) = ( 0.7608695 -0.5260820 -1.0849808), wk = 0.0038314 k( 79) = ( 0.7538189 -0.5091608 -1.0540549), wk = 0.0038314 k( 80) = ( 0.7467684 -0.4922397 -1.0231290), wk = 0.0038314 k( 81) = ( 0.7397179 -0.4753185 -0.9922032), wk = 0.0038314 k( 82) = ( 0.7326674 -0.4583974 -0.9612774), wk = 0.0038314 k( 83) = ( 0.7256168 -0.4414762 -0.9303515), wk = 0.0038314 k( 84) = ( 0.7185663 -0.4245551 -0.8994257), wk = 0.0038314 k( 85) = ( 0.7115158 -0.4076339 -0.8684999), wk = 0.0038314 k( 86) = ( 0.7044653 -0.3907128 -0.8375740), wk = 0.0038314 k( 87) = ( 0.6974147 -0.3737916 -0.8066482), wk = 0.0038314 k( 88) = ( 0.6903642 -0.3568705 -0.7757223), wk = 0.0038314 k( 89) = ( 0.6833137 -0.3399493 -0.7447965), wk = 0.0038314 k( 90) = ( 0.6762632 -0.3230282 -0.7138707), wk = 0.0038314 k( 91) = ( 0.6692126 -0.3061070 -0.6829448), wk = 0.0038314 k( 92) = ( 0.6621621 -0.2891859 -0.6520190), wk = 0.0038314 k( 93) = ( 0.6551116 -0.2722647 -0.6210932), wk = 0.0038314 k( 94) = ( 0.6480611 -0.2553435 -0.5901673), wk = 0.0038314 k( 95) = ( 0.6410105 -0.2384224 -0.5592415), wk = 0.0038314 k( 96) = ( 0.6339600 -0.2215013 -0.5283156), wk = 0.0038314 k( 97) = ( 0.6269095 -0.2045801 -0.4973898), wk = 0.0038314 k( 98) = ( 0.6198590 -0.1876590 -0.4664640), wk = 0.0038314 k( 99) = ( 0.6128084 -0.1707378 -0.4355381), wk = 0.0038314 k( 100) = ( 0.6057579 -0.1538167 -0.4046123), wk = 0.0038314 k( 101) = ( 0.5987074 -0.1368955 -0.3736865), wk = 0.0038314 k( 102) = ( 0.5916568 -0.1199743 -0.3427606), wk = 0.0038314 k( 103) = ( 0.5846063 -0.1030532 -0.3118348), wk = 0.0038314 k( 104) = ( 0.5775558 -0.0861320 -0.2809089), wk = 0.0038314 k( 105) = ( 0.5705053 -0.0692109 -0.2499831), wk = 0.0038314 k( 106) = ( 0.5634547 -0.0522898 -0.2190573), wk = 0.0038314 k( 107) = ( 0.5564042 -0.0353686 -0.1881314), wk = 0.0038314 k( 108) = ( 0.5493537 -0.0184474 -0.1572056), wk = 0.0038314 k( 109) = ( 0.5423032 -0.0015263 -0.1262798), wk = 0.0038314 k( 110) = ( 0.5352526 0.0153949 -0.0953539), wk = 0.0038314 k( 111) = ( 0.5282021 0.0323160 -0.0644281), wk = 0.0038314 k( 112) = ( 0.5211516 0.0492372 -0.0335022), wk = 0.0038314 k( 113) = ( 0.5141010 0.0661583 -0.0025764), wk = 0.0038314 k( 114) = ( 0.5070505 0.0830795 0.0283494), wk = 0.0038314 k( 115) = ( 0.5000000 0.1000006 0.0592753), wk = 0.0038314 k( 116) = ( 0.5000000 0.1000006 0.0592753), wk = 0.0038314 k( 117) = ( 0.4666667 0.0933339 0.0553236), wk = 0.0038314 k( 118) = ( 0.4333333 0.0866672 0.0513719), wk = 0.0038314 k( 119) = ( 0.4000000 0.0800005 0.0474202), wk = 0.0038314 k( 120) = ( 0.3666667 0.0733338 0.0434685), wk = 0.0038314 k( 121) = ( 0.3333333 0.0666671 0.0395169), wk = 0.0038314 k( 122) = ( 0.3000000 0.0600004 0.0355652), wk = 0.0038314 k( 123) = ( 0.2666667 0.0533337 0.0316135), wk = 0.0038314 k( 124) = ( 0.2333333 0.0466670 0.0276618), wk = 0.0038314 k( 125) = ( 0.2000000 0.0400002 0.0237101), wk = 0.0038314 k( 126) = ( 0.1666667 0.0333335 0.0197584), wk = 0.0038314 k( 127) = ( 0.1333333 0.0266668 0.0158067), wk = 0.0038314 k( 128) = ( 0.1000000 0.0200001 0.0118551), wk = 0.0038314 k( 129) = ( 0.0666667 0.0133334 0.0079034), wk = 0.0038314 k( 130) = ( 0.0333333 0.0066667 0.0039517), wk = 0.0038314 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 133) = ( 0.0071880 -0.0172512 -0.0315290), wk = 0.0038314 k( 134) = ( 0.0143761 -0.0345024 -0.0630580), wk = 0.0038314 k( 135) = ( 0.0215641 -0.0517535 -0.0945870), wk = 0.0038314 k( 136) = ( 0.0287522 -0.0690047 -0.1261161), wk = 0.0038314 k( 137) = ( 0.0359402 -0.0862559 -0.1576451), wk = 0.0038314 k( 138) = ( 0.0431282 -0.1035071 -0.1891741), wk = 0.0038314 k( 139) = ( 0.0503163 -0.1207583 -0.2207031), wk = 0.0038314 k( 140) = ( 0.0575043 -0.1380095 -0.2522321), wk = 0.0038314 k( 141) = ( 0.0646924 -0.1552606 -0.2837611), wk = 0.0038314 k( 142) = ( 0.0718804 -0.1725118 -0.3152902), wk = 0.0038314 k( 143) = ( 0.0790684 -0.1897630 -0.3468192), wk = 0.0038314 k( 144) = ( 0.0862565 -0.2070142 -0.3783482), wk = 0.0038314 k( 145) = ( 0.0934445 -0.2242654 -0.4098772), wk = 0.0038314 k( 146) = ( 0.1006326 -0.2415165 -0.4414062), wk = 0.0038314 k( 147) = ( 0.1078206 -0.2587677 -0.4729352), wk = 0.0038314 k( 148) = ( 0.1150086 -0.2760189 -0.5044643), wk = 0.0038314 k( 149) = ( 0.1221967 -0.2932701 -0.5359933), wk = 0.0038314 k( 150) = ( 0.1293847 -0.3105213 -0.5675223), wk = 0.0038314 k( 151) = ( 0.1365728 -0.3277725 -0.5990514), wk = 0.0038314 k( 152) = ( 0.1437608 -0.3450237 -0.6305804), wk = 0.0038314 k( 153) = ( 0.1509488 -0.3622748 -0.6621094), wk = 0.0038314 k( 154) = ( 0.1581369 -0.3795260 -0.6936384), wk = 0.0038314 k( 155) = ( 0.1653249 -0.3967772 -0.7251674), wk = 0.0038314 k( 156) = ( 0.1725130 -0.4140284 -0.7566964), wk = 0.0038314 k( 157) = ( 0.1797010 -0.4312796 -0.7882255), wk = 0.0038314 k( 158) = ( 0.1868891 -0.4485307 -0.8197545), wk = 0.0038314 k( 159) = ( 0.1940771 -0.4657819 -0.8512835), wk = 0.0038314 k( 160) = ( 0.2012651 -0.4830331 -0.8828125), wk = 0.0038314 k( 161) = ( 0.2084532 -0.5002843 -0.9143415), wk = 0.0038314 k( 162) = ( 0.2156412 -0.5175355 -0.9458705), wk = 0.0038314 k( 163) = ( 0.2228293 -0.5347866 -0.9773996), wk = 0.0038314 k( 164) = ( 0.2300173 -0.5520378 -1.0089286), wk = 0.0038314 k( 165) = ( 0.2372053 -0.5692890 -1.0404576), wk = 0.0038314 k( 166) = ( 0.2443934 -0.5865402 -1.0719866), wk = 0.0038314 k( 167) = ( 0.2515814 -0.6037914 -1.1035156), wk = 0.0038314 k( 168) = ( 0.2587695 -0.6210426 -1.1350446), wk = 0.0038314 k( 169) = ( 0.2659575 -0.6382937 -1.1665737), wk = 0.0038314 k( 170) = ( 0.2731455 -0.6555449 -1.1981027), wk = 0.0038314 k( 171) = ( 0.2803336 -0.6727961 -1.2296317), wk = 0.0038314 k( 172) = ( 0.2875216 -0.6900473 -1.2611607), wk = 0.0038314 k( 173) = ( 0.2947096 -0.7072985 -1.2926897), wk = 0.0038314 k( 174) = ( 0.3018977 -0.7245496 -1.3242187), wk = 0.0038314 k( 175) = ( 0.3090857 -0.7418008 -1.3557478), wk = 0.0038314 k( 176) = ( 0.3162738 -0.7590520 -1.3872768), wk = 0.0038314 k( 177) = ( 0.3234618 -0.7763032 -1.4188058), wk = 0.0038314 k( 178) = ( 0.3306499 -0.7935544 -1.4503348), wk = 0.0038314 k( 179) = ( 0.3378379 -0.8108056 -1.4818638), wk = 0.0038314 k( 180) = ( 0.6621621 -0.7108050 -1.4225886), wk = 0.0038314 k( 181) = ( 0.6551116 -0.6755525 -1.4225886), wk = 0.0038314 k( 182) = ( 0.6480611 -0.6403001 -1.4225886), wk = 0.0038314 k( 183) = ( 0.6410105 -0.6050477 -1.4225886), wk = 0.0038314 k( 184) = ( 0.6339600 -0.5697953 -1.4225886), wk = 0.0038314 k( 185) = ( 0.6269095 -0.5345428 -1.4225886), wk = 0.0038314 k( 186) = ( 0.6198590 -0.4992905 -1.4225886), wk = 0.0038314 k( 187) = ( 0.6128084 -0.4640380 -1.4225886), wk = 0.0038314 k( 188) = ( 0.6057579 -0.4287856 -1.4225886), wk = 0.0038314 k( 189) = ( 0.5987074 -0.3935332 -1.4225886), wk = 0.0038314 k( 190) = ( 0.5916568 -0.3582808 -1.4225886), wk = 0.0038314 k( 191) = ( 0.5846063 -0.3230284 -1.4225886), wk = 0.0038314 k( 192) = ( 0.5775558 -0.2877760 -1.4225886), wk = 0.0038314 k( 193) = ( 0.5705053 -0.2525235 -1.4225886), wk = 0.0038314 k( 194) = ( 0.5634547 -0.2172711 -1.4225886), wk = 0.0038314 k( 195) = ( 0.5564042 -0.1820187 -1.4225886), wk = 0.0038314 k( 196) = ( 0.5493537 -0.1467663 -1.4225886), wk = 0.0038314 k( 197) = ( 0.5423032 -0.1115139 -1.4225886), wk = 0.0038314 k( 198) = ( 0.5352526 -0.0762615 -1.4225886), wk = 0.0038314 k( 199) = ( 0.5282021 -0.0410091 -1.4225886), wk = 0.0038314 k( 200) = ( 0.5211516 -0.0057566 -1.4225886), wk = 0.0038314 k( 201) = ( 0.5141010 0.0294958 -1.4225886), wk = 0.0038314 k( 202) = ( 0.5070505 0.0647482 -1.4225886), wk = 0.0038314 k( 203) = ( 0.5000000 0.1000006 -1.4225886), wk = 0.0038314 k( 204) = ( 0.5000000 0.1000006 -1.4225886), wk = 0.0038314 k( 205) = ( 0.5324324 0.1064871 -1.4107335), wk = 0.0038314 k( 206) = ( 0.5648648 0.1129737 -1.3988784), wk = 0.0038314 k( 207) = ( 0.5972973 0.1194602 -1.3870234), wk = 0.0038314 k( 208) = ( 0.6297297 0.1259467 -1.3751683), wk = 0.0038314 k( 209) = ( 0.6621621 0.1324332 -1.3633133), wk = 0.0038314 k( 210) = ( 0.6621621 0.1324332 -1.3633133), wk = 0.0038314 k( 211) = ( 0.6581081 0.1316224 -1.3277486), wk = 0.0038314 k( 212) = ( 0.6540540 0.1308116 -1.2921838), wk = 0.0038314 k( 213) = ( 0.6499999 0.1300008 -1.2566192), wk = 0.0038314 k( 214) = ( 0.6459459 0.1291900 -1.2210544), wk = 0.0038314 k( 215) = ( 0.6418918 0.1283792 -1.1854897), wk = 0.0038314 k( 216) = ( 0.6378378 0.1275683 -1.1499250), wk = 0.0038314 k( 217) = ( 0.6337837 0.1267575 -1.1143603), wk = 0.0038314 k( 218) = ( 0.6297297 0.1259467 -1.0787956), wk = 0.0038314 k( 219) = ( 0.6256756 0.1251359 -1.0432308), wk = 0.0038314 k( 220) = ( 0.6216216 0.1243251 -1.0076661), wk = 0.0038314 k( 221) = ( 0.6175675 0.1235143 -0.9721014), wk = 0.0038314 k( 222) = ( 0.6135135 0.1227034 -0.9365367), wk = 0.0038314 k( 223) = ( 0.6094594 0.1218926 -0.9009720), wk = 0.0038314 k( 224) = ( 0.6054054 0.1210818 -0.8654073), wk = 0.0038314 k( 225) = ( 0.6013513 0.1202710 -0.8298426), wk = 0.0038314 k( 226) = ( 0.5972973 0.1194602 -0.7942779), wk = 0.0038314 k( 227) = ( 0.5932432 0.1186494 -0.7587131), wk = 0.0038314 k( 228) = ( 0.5891892 0.1178386 -0.7231484), wk = 0.0038314 k( 229) = ( 0.5851351 0.1170277 -0.6875837), wk = 0.0038314 k( 230) = ( 0.5810810 0.1162169 -0.6520190), wk = 0.0038314 k( 231) = ( 0.5770270 0.1154061 -0.6164543), wk = 0.0038314 k( 232) = ( 0.5729730 0.1145953 -0.5808896), wk = 0.0038314 k( 233) = ( 0.5689189 0.1137845 -0.5453249), wk = 0.0038314 k( 234) = ( 0.5648648 0.1129737 -0.5097601), wk = 0.0038314 k( 235) = ( 0.5608108 0.1121628 -0.4741954), wk = 0.0038314 k( 236) = ( 0.5567567 0.1113520 -0.4386307), wk = 0.0038314 k( 237) = ( 0.5527027 0.1105412 -0.4030660), wk = 0.0038314 k( 238) = ( 0.5486486 0.1097304 -0.3675013), wk = 0.0038314 k( 239) = ( 0.5445946 0.1089196 -0.3319366), wk = 0.0038314 k( 240) = ( 0.5405405 0.1081088 -0.2963719), wk = 0.0038314 k( 241) = ( 0.5364865 0.1072980 -0.2608071), wk = 0.0038314 k( 242) = ( 0.5324324 0.1064871 -0.2252424), wk = 0.0038314 k( 243) = ( 0.5283784 0.1056763 -0.1896777), wk = 0.0038314 k( 244) = ( 0.5243243 0.1048655 -0.1541130), wk = 0.0038314 k( 245) = ( 0.5202703 0.1040547 -0.1185483), wk = 0.0038314 k( 246) = ( 0.5162162 0.1032439 -0.0829836), wk = 0.0038314 k( 247) = ( 0.5121622 0.1024331 -0.0474189), wk = 0.0038314 k( 248) = ( 0.5081081 0.1016222 -0.0118542), wk = 0.0038314 k( 249) = ( 0.5040541 0.1008114 0.0237106), wk = 0.0038314 k( 250) = ( 0.5000000 0.1000006 0.0592753), wk = 0.0038314 k( 251) = ( 0.5000000 -1.1999920 -0.7112943), wk = 0.0038314 k( 252) = ( 0.5324324 -1.1899920 -0.7053667), wk = 0.0038314 k( 253) = ( 0.5648648 -1.1799919 -0.6994392), wk = 0.0038314 k( 254) = ( 0.5972973 -1.1699918 -0.6935117), wk = 0.0038314 k( 255) = ( 0.6297297 -1.1599918 -0.6875842), wk = 0.0038314 k( 256) = ( 0.6621621 -1.1499917 -0.6816566), wk = 0.0038314 k( 257) = ( 0.6945945 -1.1399917 -0.6757291), wk = 0.0038314 k( 258) = ( 0.7270269 -1.1299916 -0.6698016), wk = 0.0038314 k( 259) = ( 0.7594594 -1.1199915 -0.6638740), wk = 0.0038314 k( 260) = ( 0.7918918 -1.1099915 -0.6579465), wk = 0.0038314 k( 261) = ( 0.8243242 -1.0999914 -0.6520190), wk = 0.0038314 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 2) = ( 0.0121951 -0.0000000 -0.0000000), wk = 0.0038314 k( 3) = ( 0.0243902 -0.0000000 -0.0000000), wk = 0.0038314 k( 4) = ( 0.0365854 0.0000000 -0.0000000), wk = 0.0038314 k( 5) = ( 0.0487805 0.0000000 -0.0000000), wk = 0.0038314 k( 6) = ( 0.0609756 0.0000000 -0.0000000), wk = 0.0038314 k( 7) = ( 0.0731707 0.0000000 -0.0000000), wk = 0.0038314 k( 8) = ( 0.0853658 0.0000000 -0.0000000), wk = 0.0038314 k( 9) = ( 0.0975610 0.0000000 -0.0000000), wk = 0.0038314 k( 10) = ( 0.1097561 0.0000000 -0.0000000), wk = 0.0038314 k( 11) = ( 0.1219512 0.0000000 -0.0000000), wk = 0.0038314 k( 12) = ( 0.1341463 0.0000000 -0.0000000), wk = 0.0038314 k( 13) = ( 0.1463415 0.0000000 -0.0000000), wk = 0.0038314 k( 14) = ( 0.1585366 -0.0000000 -0.0000000), wk = 0.0038314 k( 15) = ( 0.1707317 0.0000000 -0.0000000), wk = 0.0038314 k( 16) = ( 0.1829268 0.0000000 0.0000000), wk = 0.0038314 k( 17) = ( 0.1951219 0.0000000 -0.0000000), wk = 0.0038314 k( 18) = ( 0.2073171 0.0000000 -0.0000000), wk = 0.0038314 k( 19) = ( 0.2195122 0.0000000 -0.0000000), wk = 0.0038314 k( 20) = ( 0.2317073 0.0000000 -0.0000000), wk = 0.0038314 k( 21) = ( 0.2439024 0.0000000 -0.0000000), wk = 0.0038314 k( 22) = ( 0.2560976 -0.0000000 -0.0000000), wk = 0.0038314 k( 23) = ( 0.2682927 0.0000000 -0.0000000), wk = 0.0038314 k( 24) = ( 0.2804878 0.0000000 -0.0000000), wk = 0.0038314 k( 25) = ( 0.2926829 -0.0000000 -0.0000000), wk = 0.0038314 k( 26) = ( 0.3048781 0.0000000 -0.0000000), wk = 0.0038314 k( 27) = ( 0.3170732 0.0000000 -0.0000000), wk = 0.0038314 k( 28) = ( 0.3292683 -0.0000000 -0.0000000), wk = 0.0038314 k( 29) = ( 0.3414634 0.0000000 -0.0000000), wk = 0.0038314 k( 30) = ( 0.3536585 -0.0000000 -0.0000000), wk = 0.0038314 k( 31) = ( 0.3658537 0.0000000 0.0000000), wk = 0.0038314 k( 32) = ( 0.3780488 0.0000000 -0.0000000), wk = 0.0038314 k( 33) = ( 0.3902439 0.0000000 -0.0000000), wk = 0.0038314 k( 34) = ( 0.4024390 0.0000000 -0.0000000), wk = 0.0038314 k( 35) = ( 0.4146341 0.0000000 -0.0000000), wk = 0.0038314 k( 36) = ( 0.4268293 -0.0000000 -0.0000000), wk = 0.0038314 k( 37) = ( 0.4390244 -0.0000000 -0.0000000), wk = 0.0038314 k( 38) = ( 0.4512195 -0.0000000 -0.0000000), wk = 0.0038314 k( 39) = ( 0.4634146 -0.0000000 -0.0000000), wk = 0.0038314 k( 40) = ( 0.4756098 -0.0000000 -0.0000000), wk = 0.0038314 k( 41) = ( 0.4878049 0.0000000 -0.0000000), wk = 0.0038314 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0038314 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0038314 k( 44) = ( 0.5000000 0.0070270 -0.0070270), wk = 0.0038314 k( 45) = ( 0.5000000 0.0140541 -0.0140541), wk = 0.0038314 k( 46) = ( 0.5000000 0.0210811 -0.0210811), wk = 0.0038314 k( 47) = ( 0.5000000 0.0281081 -0.0281081), wk = 0.0038314 k( 48) = ( 0.5000000 0.0351352 -0.0351352), wk = 0.0038314 k( 49) = ( 0.5000000 0.0421622 -0.0421622), wk = 0.0038314 k( 50) = ( 0.5000000 0.0491892 -0.0491892), wk = 0.0038314 k( 51) = ( 0.5000000 0.0562163 -0.0562163), wk = 0.0038314 k( 52) = ( 0.5000000 0.0632433 -0.0632433), wk = 0.0038314 k( 53) = ( 0.5000000 0.0702703 -0.0702703), wk = 0.0038314 k( 54) = ( 0.5000000 0.0772973 -0.0772974), wk = 0.0038314 k( 55) = ( 0.5000000 0.0843244 -0.0843244), wk = 0.0038314 k( 56) = ( 0.5000000 0.0913514 -0.0913514), wk = 0.0038314 k( 57) = ( 0.5000000 0.0983784 -0.0983784), wk = 0.0038314 k( 58) = ( 0.5000000 0.1054055 -0.1054055), wk = 0.0038314 k( 59) = ( 0.5000000 0.1124325 -0.1124325), wk = 0.0038314 k( 60) = ( 0.5000000 0.1194595 -0.1194595), wk = 0.0038314 k( 61) = ( 0.5000000 0.1264866 -0.1264866), wk = 0.0038314 k( 62) = ( 0.5000000 0.1335136 -0.1335136), wk = 0.0038314 k( 63) = ( 0.5000000 0.1405406 -0.1405406), wk = 0.0038314 k( 64) = ( 0.5000000 0.1475677 -0.1475677), wk = 0.0038314 k( 65) = ( 0.5000000 0.1545947 -0.1545947), wk = 0.0038314 k( 66) = ( 0.5000000 0.1616217 -0.1616217), wk = 0.0038314 k( 67) = ( 0.5000000 0.1686488 -0.1686488), wk = 0.0038314 k( 68) = ( 0.5000000 0.1756758 -0.1756758), wk = 0.0038314 k( 69) = ( 0.8243242 0.5000000 0.1756758), wk = 0.0038314 k( 70) = ( 0.8172737 0.5000000 0.1827263), wk = 0.0038314 k( 71) = ( 0.8102232 0.5000000 0.1897768), wk = 0.0038314 k( 72) = ( 0.8031726 0.5000000 0.1968274), wk = 0.0038314 k( 73) = ( 0.7961221 0.5000000 0.2038779), wk = 0.0038314 k( 74) = ( 0.7890716 0.5000000 0.2109284), wk = 0.0038314 k( 75) = ( 0.7820210 0.5000000 0.2179790), wk = 0.0038314 k( 76) = ( 0.7749705 0.5000000 0.2250295), wk = 0.0038314 k( 77) = ( 0.7679200 0.5000000 0.2320800), wk = 0.0038314 k( 78) = ( 0.7608695 0.5000000 0.2391305), wk = 0.0038314 k( 79) = ( 0.7538189 0.5000000 0.2461810), wk = 0.0038314 k( 80) = ( 0.7467684 0.5000000 0.2532316), wk = 0.0038314 k( 81) = ( 0.7397179 0.5000000 0.2602821), wk = 0.0038314 k( 82) = ( 0.7326674 0.5000000 0.2673326), wk = 0.0038314 k( 83) = ( 0.7256168 0.5000000 0.2743832), wk = 0.0038314 k( 84) = ( 0.7185663 0.5000000 0.2814337), wk = 0.0038314 k( 85) = ( 0.7115158 0.5000000 0.2884842), wk = 0.0038314 k( 86) = ( 0.7044653 0.5000000 0.2955347), wk = 0.0038314 k( 87) = ( 0.6974147 0.5000000 0.3025853), wk = 0.0038314 k( 88) = ( 0.6903642 0.5000000 0.3096358), wk = 0.0038314 k( 89) = ( 0.6833137 0.5000000 0.3166863), wk = 0.0038314 k( 90) = ( 0.6762632 0.5000000 0.3237368), wk = 0.0038314 k( 91) = ( 0.6692126 0.5000000 0.3307874), wk = 0.0038314 k( 92) = ( 0.6621621 0.5000000 0.3378379), wk = 0.0038314 k( 93) = ( 0.6551116 0.5000000 0.3448884), wk = 0.0038314 k( 94) = ( 0.6480611 0.5000000 0.3519389), wk = 0.0038314 k( 95) = ( 0.6410105 0.5000000 0.3589895), wk = 0.0038314 k( 96) = ( 0.6339600 0.5000000 0.3660400), wk = 0.0038314 k( 97) = ( 0.6269095 0.5000000 0.3730905), wk = 0.0038314 k( 98) = ( 0.6198590 0.5000000 0.3801410), wk = 0.0038314 k( 99) = ( 0.6128084 0.5000000 0.3871916), wk = 0.0038314 k( 100) = ( 0.6057579 0.5000000 0.3942421), wk = 0.0038314 k( 101) = ( 0.5987074 0.5000000 0.4012926), wk = 0.0038314 k( 102) = ( 0.5916568 0.5000000 0.4083432), wk = 0.0038314 k( 103) = ( 0.5846063 0.5000000 0.4153937), wk = 0.0038314 k( 104) = ( 0.5775558 0.5000000 0.4224442), wk = 0.0038314 k( 105) = ( 0.5705053 0.5000000 0.4294947), wk = 0.0038314 k( 106) = ( 0.5634547 0.5000000 0.4365453), wk = 0.0038314 k( 107) = ( 0.5564042 0.5000000 0.4435958), wk = 0.0038314 k( 108) = ( 0.5493537 0.5000000 0.4506463), wk = 0.0038314 k( 109) = ( 0.5423032 0.5000000 0.4576968), wk = 0.0038314 k( 110) = ( 0.5352526 0.5000000 0.4647474), wk = 0.0038314 k( 111) = ( 0.5282021 0.5000000 0.4717979), wk = 0.0038314 k( 112) = ( 0.5211516 0.5000000 0.4788484), wk = 0.0038314 k( 113) = ( 0.5141010 0.5000000 0.4858989), wk = 0.0038314 k( 114) = ( 0.5070505 0.5000000 0.4929495), wk = 0.0038314 k( 115) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038314 k( 116) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038314 k( 117) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0038314 k( 118) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0038314 k( 119) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0038314 k( 120) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0038314 k( 121) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0038314 k( 122) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0038314 k( 123) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0038314 k( 124) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0038314 k( 125) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0038314 k( 126) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0038314 k( 127) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0038314 k( 128) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0038314 k( 129) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0038314 k( 130) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0038314 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 133) = ( 0.0071880 0.0000000 -0.0071880), wk = 0.0038314 k( 134) = ( 0.0143761 0.0000000 -0.0143761), wk = 0.0038314 k( 135) = ( 0.0215641 0.0000000 -0.0215641), wk = 0.0038314 k( 136) = ( 0.0287522 0.0000000 -0.0287522), wk = 0.0038314 k( 137) = ( 0.0359402 0.0000000 -0.0359402), wk = 0.0038314 k( 138) = ( 0.0431282 0.0000000 -0.0431282), wk = 0.0038314 k( 139) = ( 0.0503163 0.0000000 -0.0503163), wk = 0.0038314 k( 140) = ( 0.0575043 0.0000000 -0.0575043), wk = 0.0038314 k( 141) = ( 0.0646924 -0.0000000 -0.0646924), wk = 0.0038314 k( 142) = ( 0.0718804 0.0000000 -0.0718804), wk = 0.0038314 k( 143) = ( 0.0790684 0.0000000 -0.0790684), wk = 0.0038314 k( 144) = ( 0.0862565 0.0000000 -0.0862565), wk = 0.0038314 k( 145) = ( 0.0934445 0.0000000 -0.0934445), wk = 0.0038314 k( 146) = ( 0.1006326 0.0000000 -0.1006326), wk = 0.0038314 k( 147) = ( 0.1078206 -0.0000000 -0.1078206), wk = 0.0038314 k( 148) = ( 0.1150086 0.0000000 -0.1150086), wk = 0.0038314 k( 149) = ( 0.1221967 0.0000000 -0.1221967), wk = 0.0038314 k( 150) = ( 0.1293847 0.0000000 -0.1293847), wk = 0.0038314 k( 151) = ( 0.1365728 0.0000000 -0.1365728), wk = 0.0038314 k( 152) = ( 0.1437608 0.0000000 -0.1437608), wk = 0.0038314 k( 153) = ( 0.1509488 0.0000000 -0.1509489), wk = 0.0038314 k( 154) = ( 0.1581369 0.0000000 -0.1581369), wk = 0.0038314 k( 155) = ( 0.1653249 0.0000000 -0.1653249), wk = 0.0038314 k( 156) = ( 0.1725130 0.0000000 -0.1725130), wk = 0.0038314 k( 157) = ( 0.1797010 0.0000000 -0.1797010), wk = 0.0038314 k( 158) = ( 0.1868891 0.0000000 -0.1868891), wk = 0.0038314 k( 159) = ( 0.1940771 0.0000000 -0.1940771), wk = 0.0038314 k( 160) = ( 0.2012651 0.0000000 -0.2012651), wk = 0.0038314 k( 161) = ( 0.2084532 0.0000000 -0.2084532), wk = 0.0038314 k( 162) = ( 0.2156412 0.0000000 -0.2156412), wk = 0.0038314 k( 163) = ( 0.2228293 0.0000000 -0.2228293), wk = 0.0038314 k( 164) = ( 0.2300173 -0.0000000 -0.2300173), wk = 0.0038314 k( 165) = ( 0.2372053 -0.0000000 -0.2372053), wk = 0.0038314 k( 166) = ( 0.2443934 0.0000000 -0.2443934), wk = 0.0038314 k( 167) = ( 0.2515814 0.0000000 -0.2515814), wk = 0.0038314 k( 168) = ( 0.2587695 0.0000000 -0.2587695), wk = 0.0038314 k( 169) = ( 0.2659575 -0.0000000 -0.2659575), wk = 0.0038314 k( 170) = ( 0.2731455 -0.0000000 -0.2731455), wk = 0.0038314 k( 171) = ( 0.2803336 0.0000000 -0.2803336), wk = 0.0038314 k( 172) = ( 0.2875216 -0.0000000 -0.2875216), wk = 0.0038314 k( 173) = ( 0.2947096 0.0000000 -0.2947097), wk = 0.0038314 k( 174) = ( 0.3018977 0.0000000 -0.3018977), wk = 0.0038314 k( 175) = ( 0.3090857 0.0000000 -0.3090857), wk = 0.0038314 k( 176) = ( 0.3162738 0.0000000 -0.3162738), wk = 0.0038314 k( 177) = ( 0.3234618 0.0000000 -0.3234618), wk = 0.0038314 k( 178) = ( 0.3306499 -0.0000000 -0.3306499), wk = 0.0038314 k( 179) = ( 0.3378379 0.0000000 -0.3378379), wk = 0.0038314 k( 180) = ( 0.6621621 0.3378379 0.0000000), wk = 0.0038314 k( 181) = ( 0.6551116 0.3448884 0.0000000), wk = 0.0038314 k( 182) = ( 0.6480611 0.3519390 0.0000000), wk = 0.0038314 k( 183) = ( 0.6410105 0.3589895 -0.0000000), wk = 0.0038314 k( 184) = ( 0.6339600 0.3660400 -0.0000000), wk = 0.0038314 k( 185) = ( 0.6269095 0.3730905 0.0000000), wk = 0.0038314 k( 186) = ( 0.6198590 0.3801410 -0.0000000), wk = 0.0038314 k( 187) = ( 0.6128084 0.3871916 0.0000000), wk = 0.0038314 k( 188) = ( 0.6057579 0.3942421 -0.0000000), wk = 0.0038314 k( 189) = ( 0.5987074 0.4012926 -0.0000000), wk = 0.0038314 k( 190) = ( 0.5916568 0.4083432 -0.0000000), wk = 0.0038314 k( 191) = ( 0.5846063 0.4153937 -0.0000000), wk = 0.0038314 k( 192) = ( 0.5775558 0.4224442 0.0000000), wk = 0.0038314 k( 193) = ( 0.5705053 0.4294947 0.0000000), wk = 0.0038314 k( 194) = ( 0.5634547 0.4365453 -0.0000000), wk = 0.0038314 k( 195) = ( 0.5564042 0.4435958 -0.0000000), wk = 0.0038314 k( 196) = ( 0.5493537 0.4506463 0.0000000), wk = 0.0038314 k( 197) = ( 0.5423032 0.4576968 -0.0000000), wk = 0.0038314 k( 198) = ( 0.5352526 0.4647474 0.0000000), wk = 0.0038314 k( 199) = ( 0.5282021 0.4717979 0.0000000), wk = 0.0038314 k( 200) = ( 0.5211516 0.4788484 -0.0000000), wk = 0.0038314 k( 201) = ( 0.5141010 0.4858990 -0.0000000), wk = 0.0038314 k( 202) = ( 0.5070505 0.4929495 -0.0000000), wk = 0.0038314 k( 203) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038314 k( 204) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038314 k( 205) = ( 0.5324324 0.5324324 0.0351352), wk = 0.0038314 k( 206) = ( 0.5648648 0.5648648 0.0702703), wk = 0.0038314 k( 207) = ( 0.5972973 0.5972973 0.1054055), wk = 0.0038314 k( 208) = ( 0.6297297 0.6297297 0.1405406), wk = 0.0038314 k( 209) = ( 0.6621621 0.6621621 0.1756758), wk = 0.0038314 k( 210) = ( 0.6621621 0.6621621 0.1756758), wk = 0.0038314 k( 211) = ( 0.6581081 0.6581081 0.1837839), wk = 0.0038314 k( 212) = ( 0.6540540 0.6540540 0.1918920), wk = 0.0038314 k( 213) = ( 0.6499999 0.6500000 0.2000001), wk = 0.0038314 k( 214) = ( 0.6459459 0.6459459 0.2081082), wk = 0.0038314 k( 215) = ( 0.6418918 0.6418918 0.2162163), wk = 0.0038314 k( 216) = ( 0.6378378 0.6378378 0.2243244), wk = 0.0038314 k( 217) = ( 0.6337837 0.6337837 0.2324325), wk = 0.0038314 k( 218) = ( 0.6297297 0.6297297 0.2405406), wk = 0.0038314 k( 219) = ( 0.6256756 0.6256756 0.2486487), wk = 0.0038314 k( 220) = ( 0.6216216 0.6216216 0.2567568), wk = 0.0038314 k( 221) = ( 0.6175675 0.6175675 0.2648649), wk = 0.0038314 k( 222) = ( 0.6135135 0.6135135 0.2729730), wk = 0.0038314 k( 223) = ( 0.6094594 0.6094594 0.2810812), wk = 0.0038314 k( 224) = ( 0.6054054 0.6054054 0.2891893), wk = 0.0038314 k( 225) = ( 0.6013513 0.6013513 0.2972974), wk = 0.0038314 k( 226) = ( 0.5972973 0.5972973 0.3054055), wk = 0.0038314 k( 227) = ( 0.5932432 0.5932432 0.3135136), wk = 0.0038314 k( 228) = ( 0.5891892 0.5891892 0.3216217), wk = 0.0038314 k( 229) = ( 0.5851351 0.5851351 0.3297298), wk = 0.0038314 k( 230) = ( 0.5810810 0.5810811 0.3378379), wk = 0.0038314 k( 231) = ( 0.5770270 0.5770270 0.3459460), wk = 0.0038314 k( 232) = ( 0.5729730 0.5729730 0.3540541), wk = 0.0038314 k( 233) = ( 0.5689189 0.5689189 0.3621622), wk = 0.0038314 k( 234) = ( 0.5648648 0.5648648 0.3702703), wk = 0.0038314 k( 235) = ( 0.5608108 0.5608108 0.3783784), wk = 0.0038314 k( 236) = ( 0.5567567 0.5567567 0.3864865), wk = 0.0038314 k( 237) = ( 0.5527027 0.5527027 0.3945946), wk = 0.0038314 k( 238) = ( 0.5486486 0.5486486 0.4027027), wk = 0.0038314 k( 239) = ( 0.5445946 0.5445946 0.4108108), wk = 0.0038314 k( 240) = ( 0.5405405 0.5405405 0.4189189), wk = 0.0038314 k( 241) = ( 0.5364865 0.5364865 0.4270270), wk = 0.0038314 k( 242) = ( 0.5324324 0.5324324 0.4351352), wk = 0.0038314 k( 243) = ( 0.5283784 0.5283784 0.4432433), wk = 0.0038314 k( 244) = ( 0.5243243 0.5243243 0.4513514), wk = 0.0038314 k( 245) = ( 0.5202703 0.5202703 0.4594595), wk = 0.0038314 k( 246) = ( 0.5162162 0.5162162 0.4675676), wk = 0.0038314 k( 247) = ( 0.5121622 0.5121622 0.4756757), wk = 0.0038314 k( 248) = ( 0.5081081 0.5081081 0.4837838), wk = 0.0038314 k( 249) = ( 0.5040541 0.5040541 0.4918919), wk = 0.0038314 k( 250) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038314 k( 251) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0038314 k( 252) = ( 0.5324324 0.0337838 0.0337838), wk = 0.0038314 k( 253) = ( 0.5648648 0.0675676 0.0675676), wk = 0.0038314 k( 254) = ( 0.5972973 0.1013514 0.1013514), wk = 0.0038314 k( 255) = ( 0.6297297 0.1351352 0.1351352), wk = 0.0038314 k( 256) = ( 0.6621621 0.1689190 0.1689189), wk = 0.0038314 k( 257) = ( 0.6945945 0.2027027 0.2027027), wk = 0.0038314 k( 258) = ( 0.7270269 0.2364865 0.2364865), wk = 0.0038314 k( 259) = ( 0.7594594 0.2702703 0.2702703), wk = 0.0038314 k( 260) = ( 0.7918918 0.3040541 0.3040541), wk = 0.0038314 k( 261) = ( 0.8243242 0.3378379 0.3378379), wk = 0.0038314 Dense grid: 102555 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 63797 G-vectors FFT dimensions: ( 100, 100, 100) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 270, 58) NL pseudopotentials 0.34 Mb ( 135, 164) Each V/rho on FFT grid 0.44 Mb ( 28800) Each G-vector array 0.01 Mb ( 1603) G-vector shells 0.01 Mb ( 1450) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.96 Mb ( 270, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.29 Mb ( 164, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Ca3SiBr2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 15.9 secs Computing kpt #: 2 total cpu time spent up to now is 25.6 secs Computing kpt #: 3 total cpu time spent up to now is 32.5 secs Computing kpt #: 4 total cpu time spent up to now is 44.0 secs Computing kpt #: 5 total cpu time spent up to now is 53.9 secs Computing kpt #: 6 total cpu time spent up to now is 60.5 secs Computing kpt #: 7 total cpu time spent up to now is 70.3 secs Computing kpt #: 8 total cpu time spent up to now is 81.7 secs Computing kpt #: 9 total cpu time spent up to now is 89.2 secs Computing kpt #: 10 total cpu time spent up to now is 97.4 secs Computing kpt #: 11 total cpu time spent up to now is 109.5 secs Computing kpt #: 12 total cpu time spent up to now is 117.7 secs Computing kpt #: 13 total cpu time spent up to now is 124.9 secs Computing kpt #: 14 total cpu time spent up to now is 137.3 secs Computing kpt #: 15 total cpu time spent up to now is 146.3 secs Computing kpt #: 16 total cpu time spent up to now is 157.2 secs Computing kpt #: 17 total cpu time spent up to now is 169.3 secs Computing kpt #: 18 total cpu time spent up to now is 177.7 secs Computing kpt #: 19 total cpu time spent up to now is 185.3 secs Computing kpt #: 20 total cpu time spent up to now is 197.5 secs Computing kpt #: 21 total cpu time spent up to now is 207.2 secs Computing kpt #: 22 total cpu time spent up to now is 216.4 secs Computing kpt #: 23 total cpu time spent up to now is 230.1 secs Computing kpt #: 24 total cpu time spent up to now is 239.4 secs Computing kpt #: 25 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 251.0 secs Computing kpt #: 26 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 264.1 secs Computing kpt #: 27 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 272.6 secs Computing kpt #: 28 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 286.9 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 297.9 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 307.5 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 321.9 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 330.5 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 343.3 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 355.2 secs Computing kpt #: 35 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 363.9 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 378.5 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 388.5 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 399.2 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 413.3 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 422.0 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 436.5 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 447.6 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 461.0 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 474.3 secs Computing kpt #: 45 total cpu time spent up to now is 482.8 secs Computing kpt #: 46 total cpu time spent up to now is 495.9 secs Computing kpt #: 47 total cpu time spent up to now is 505.9 secs Computing kpt #: 48 total cpu time spent up to now is 514.8 secs Computing kpt #: 49 total cpu time spent up to now is 528.3 secs Computing kpt #: 50 total cpu time spent up to now is 537.6 secs Computing kpt #: 51 total cpu time spent up to now is 545.9 secs Computing kpt #: 52 total cpu time spent up to now is 558.6 secs Computing kpt #: 53 total cpu time spent up to now is 567.9 secs Computing kpt #: 54 total cpu time spent up to now is 576.4 secs Computing kpt #: 55 total cpu time spent up to now is 588.8 secs Computing kpt #: 56 total cpu time spent up to now is 597.7 secs Computing kpt #: 57 total cpu time spent up to now is 605.9 secs Computing kpt #: 58 total cpu time spent up to now is 620.3 secs Computing kpt #: 59 total cpu time spent up to now is 629.7 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 642.2 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 654.9 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 664.4 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 679.4 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 689.3 secs Computing kpt #: 65 total cpu time spent up to now is 698.9 secs Computing kpt #: 66 total cpu time spent up to now is 713.1 secs Computing kpt #: 67 total cpu time spent up to now is 720.4 secs Computing kpt #: 68 total cpu time spent up to now is 731.7 secs Computing kpt #: 69 total cpu time spent up to now is 743.4 secs Computing kpt #: 70 total cpu time spent up to now is 750.8 secs Computing kpt #: 71 total cpu time spent up to now is 763.6 secs Computing kpt #: 72 total cpu time spent up to now is 774.5 secs Computing kpt #: 73 total cpu time spent up to now is 782.0 secs Computing kpt #: 74 total cpu time spent up to now is 795.7 secs Computing kpt #: 75 total cpu time spent up to now is 806.8 secs Computing kpt #: 76 total cpu time spent up to now is 816.2 secs Computing kpt #: 77 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 831.0 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 840.4 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 853.5 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 865.3 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 874.6 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 889.3 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 899.0 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 910.2 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 924.0 secs Computing kpt #: 86 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 932.2 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 946.4 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 957.3 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 966.9 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 981.3 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 990.3 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1002.9 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1015.1 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1023.9 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1039.7 secs Computing kpt #: 96 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1049.1 secs Computing kpt #: 97 total cpu time spent up to now is 1060.6 secs Computing kpt #: 98 total cpu time spent up to now is 1073.6 secs Computing kpt #: 99 total cpu time spent up to now is 1082.3 secs Computing kpt #: 100 total cpu time spent up to now is 1096.8 secs Computing kpt #: 101 total cpu time spent up to now is 1106.4 secs Computing kpt #: 102 total cpu time spent up to now is 1113.3 secs Computing kpt #: 103 total cpu time spent up to now is 1125.3 secs Computing kpt #: 104 total cpu time spent up to now is 1135.2 secs Computing kpt #: 105 total cpu time spent up to now is 1141.9 secs Computing kpt #: 106 total cpu time spent up to now is 1153.1 secs Computing kpt #: 107 total cpu time spent up to now is 1163.7 secs Computing kpt #: 108 total cpu time spent up to now is 1170.4 secs Computing kpt #: 109 total cpu time spent up to now is 1179.9 secs Computing kpt #: 110 total cpu time spent up to now is 1191.2 secs Computing kpt #: 111 total cpu time spent up to now is 1198.7 secs Computing kpt #: 112 total cpu time spent up to now is 1206.3 secs Computing kpt #: 113 total cpu time spent up to now is 1218.4 secs Computing kpt #: 114 total cpu time spent up to now is 1226.5 secs Computing kpt #: 115 total cpu time spent up to now is 1233.0 secs Computing kpt #: 116 total cpu time spent up to now is 1244.7 secs Computing kpt #: 117 total cpu time spent up to now is 1254.4 secs Computing kpt #: 118 total cpu time spent up to now is 1261.0 secs Computing kpt #: 119 total cpu time spent up to now is 1271.3 secs Computing kpt #: 120 total cpu time spent up to now is 1282.3 secs Computing kpt #: 121 total cpu time spent up to now is 1289.8 secs Computing kpt #: 122 total cpu time spent up to now is 1298.3 secs Computing kpt #: 123 total cpu time spent up to now is 1310.6 secs Computing kpt #: 124 total cpu time spent up to now is 1317.9 secs Computing kpt #: 125 total cpu time spent up to now is 1325.0 secs Computing kpt #: 126 total cpu time spent up to now is 1336.9 secs Computing kpt #: 127 total cpu time spent up to now is 1345.8 secs Computing kpt #: 128 total cpu time spent up to now is 1352.3 secs Computing kpt #: 129 total cpu time spent up to now is 1363.7 secs Computing kpt #: 130 total cpu time spent up to now is 1373.7 secs Computing kpt #: 131 total cpu time spent up to now is 1380.1 secs Computing kpt #: 132 total cpu time spent up to now is 1389.1 secs Computing kpt #: 133 total cpu time spent up to now is 1400.9 secs Computing kpt #: 134 total cpu time spent up to now is 1408.3 secs Computing kpt #: 135 total cpu time spent up to now is 1415.6 secs Computing kpt #: 136 total cpu time spent up to now is 1427.6 secs Computing kpt #: 137 total cpu time spent up to now is 1436.3 secs Computing kpt #: 138 total cpu time spent up to now is 1442.8 secs Computing kpt #: 139 total cpu time spent up to now is 1454.8 secs Computing kpt #: 140 total cpu time spent up to now is 1464.7 secs Computing kpt #: 141 total cpu time spent up to now is 1471.5 secs Computing kpt #: 142 total cpu time spent up to now is 1482.5 secs Computing kpt #: 143 total cpu time spent up to now is 1494.5 secs Computing kpt #: 144 total cpu time spent up to now is 1501.5 secs Computing kpt #: 145 total cpu time spent up to now is 1512.7 secs Computing kpt #: 146 total cpu time spent up to now is 1524.8 secs Computing kpt #: 147 total cpu time spent up to now is 1532.3 secs Computing kpt #: 148 total cpu time spent up to now is 1545.4 secs Computing kpt #: 149 total cpu time spent up to now is 1556.5 secs Computing kpt #: 150 total cpu time spent up to now is 1564.5 secs Computing kpt #: 151 total cpu time spent up to now is 1578.2 secs Computing kpt #: 152 total cpu time spent up to now is 1588.0 secs Computing kpt #: 153 total cpu time spent up to now is 1597.8 secs Computing kpt #: 154 total cpu time spent up to now is 1612.8 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1621.2 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1635.7 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1646.9 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1657.7 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1673.1 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1681.8 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1695.9 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1707.0 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1716.8 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1731.4 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1740.4 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1753.8 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1765.7 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1775.3 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1790.0 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1800.0 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1812.5 secs Computing kpt #: 172 total cpu time spent up to now is 1824.0 secs Computing kpt #: 173 total cpu time spent up to now is 1832.8 secs Computing kpt #: 174 total cpu time spent up to now is 1847.7 secs Computing kpt #: 175 total cpu time spent up to now is 1857.6 secs Computing kpt #: 176 total cpu time spent up to now is 1866.6 secs Computing kpt #: 177 total cpu time spent up to now is 1880.0 secs Computing kpt #: 178 total cpu time spent up to now is 1888.2 secs Computing kpt #: 179 total cpu time spent up to now is 1895.7 secs Computing kpt #: 180 total cpu time spent up to now is 1908.0 secs Computing kpt #: 181 total cpu time spent up to now is 1916.7 secs Computing kpt #: 182 total cpu time spent up to now is 1923.9 secs Computing kpt #: 183 total cpu time spent up to now is 1935.9 secs Computing kpt #: 184 total cpu time spent up to now is 1945.4 secs Computing kpt #: 185 total cpu time spent up to now is 1953.0 secs Computing kpt #: 186 total cpu time spent up to now is 1966.3 secs Computing kpt #: 187 total cpu time spent up to now is 1979.3 secs Computing kpt #: 188 total cpu time spent up to now is 1987.9 secs Computing kpt #: 189 total cpu time spent up to now is 2001.3 secs Computing kpt #: 190 total cpu time spent up to now is 2009.5 secs Computing kpt #: 191 total cpu time spent up to now is 2019.4 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2033.5 secs Computing kpt #: 193 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2041.9 secs Computing kpt #: 194 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2056.1 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2067.7 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2078.3 secs Computing kpt #: 197 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2093.0 secs Computing kpt #: 198 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2101.3 secs Computing kpt #: 199 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2115.2 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2126.8 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2136.4 secs Computing kpt #: 202 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2151.3 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2159.9 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2172.0 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2184.7 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2193.4 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2207.9 secs Computing kpt #: 208 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2218.4 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2229.0 secs Computing kpt #: 210 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2243.5 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2251.9 secs Computing kpt #: 212 total cpu time spent up to now is 2266.2 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2278.0 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2288.2 secs Computing kpt #: 215 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2303.7 secs Computing kpt #: 216 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2312.4 secs Computing kpt #: 217 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2326.6 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2337.8 secs Computing kpt #: 219 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2347.7 secs Computing kpt #: 220 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2362.7 secs Computing kpt #: 221 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2372.7 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2387.3 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2398.1 secs Computing kpt #: 224 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2408.3 secs Computing kpt #: 225 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2422.7 secs Computing kpt #: 226 total cpu time spent up to now is 2431.3 secs Computing kpt #: 227 total cpu time spent up to now is 2444.5 secs Computing kpt #: 228 total cpu time spent up to now is 2455.8 secs Computing kpt #: 229 total cpu time spent up to now is 2463.8 secs Computing kpt #: 230 total cpu time spent up to now is 2476.6 secs Computing kpt #: 231 total cpu time spent up to now is 2486.5 secs Computing kpt #: 232 total cpu time spent up to now is 2495.3 secs Computing kpt #: 233 total cpu time spent up to now is 2508.5 secs Computing kpt #: 234 total cpu time spent up to now is 2517.7 secs Computing kpt #: 235 total cpu time spent up to now is 2525.6 secs Computing kpt #: 236 total cpu time spent up to now is 2538.5 secs Computing kpt #: 237 total cpu time spent up to now is 2546.8 secs Computing kpt #: 238 total cpu time spent up to now is 2554.3 secs Computing kpt #: 239 total cpu time spent up to now is 2567.4 secs Computing kpt #: 240 total cpu time spent up to now is 2576.6 secs Computing kpt #: 241 total cpu time spent up to now is 2583.7 secs Computing kpt #: 242 total cpu time spent up to now is 2595.5 secs Computing kpt #: 243 total cpu time spent up to now is 2605.7 secs Computing kpt #: 244 total cpu time spent up to now is 2613.0 secs Computing kpt #: 245 total cpu time spent up to now is 2625.8 secs Computing kpt #: 246 total cpu time spent up to now is 2635.8 secs Computing kpt #: 247 total cpu time spent up to now is 2642.3 secs Computing kpt #: 248 total cpu time spent up to now is 2653.9 secs Computing kpt #: 249 total cpu time spent up to now is 2664.7 secs Computing kpt #: 250 total cpu time spent up to now is 2671.4 secs Computing kpt #: 251 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2684.8 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2696.2 secs Computing kpt #: 253 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2705.3 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2720.6 secs Computing kpt #: 255 total cpu time spent up to now is 2730.3 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2743.2 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2755.3 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2764.4 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2779.1 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2789.0 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2800.2 secs ethr = 2.08E-11, avg # of iterations = 95.7 total cpu time spent up to now is 2800.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8033 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3911 -18.3911 -16.9204 -16.9204 -16.8214 -16.8214 -16.5558 -16.5558 -16.4839 -16.4839 -16.4442 -16.4442 -16.4076 -16.4076 -11.5065 -11.5065 -11.3459 -11.3459 -0.9032 -0.9032 -0.1581 -0.1581 0.3342 0.3342 0.4600 0.4600 0.7053 0.7053 0.8266 0.8266 1.0244 1.0244 4.5973 4.5973 5.1565 5.1565 6.3226 6.3226 6.3409 6.3409 6.4764 6.4764 6.7772 6.7772 6.8858 6.8858 6.8872 6.8872 k = 0.0122-0.0293-0.0173 ( 8030 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3911 -18.3911 -16.9205 -16.9204 -16.8214 -16.8214 -16.5559 -16.5558 -16.4839 -16.4839 -16.4443 -16.4442 -16.4077 -16.4077 -11.5064 -11.5064 -11.3459 -11.3458 -0.9022 -0.9021 -0.1590 -0.1573 0.3272 0.3383 0.4549 0.4655 0.7044 0.7044 0.8257 0.8268 1.0231 1.0231 4.5976 4.5980 5.1593 5.1595 6.3202 6.3203 6.3388 6.3388 6.4762 6.4785 6.7717 6.7768 6.8873 6.8878 6.8889 6.8931 k = 0.0244-0.0585-0.0347 ( 8025 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7729 -18.7728 -18.3972 -18.3972 -18.3911 -18.3911 -16.9205 -16.9204 -16.8214 -16.8214 -16.5560 -16.5558 -16.4840 -16.4840 -16.4443 -16.4442 -16.4077 -16.4077 -11.5059 -11.5059 -11.3457 -11.3456 -0.8993 -0.8991 -0.1602 -0.1567 0.3176 0.3390 0.4507 0.4712 0.7016 0.7017 0.8238 0.8263 1.0191 1.0191 4.5990 4.5997 5.1678 5.1682 6.3119 6.3121 6.3338 6.3339 6.4777 6.4822 6.7621 6.7711 6.8915 6.8918 6.8991 6.9055 k = 0.0366-0.0878-0.0520 ( 8025 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7729 -18.7729 -18.3973 -18.3973 -18.3912 -18.3911 -16.9205 -16.9204 -16.8215 -16.8215 -16.5561 -16.5558 -16.4841 -16.4841 -16.4443 -16.4442 -16.4079 -16.4078 -11.5051 -11.5050 -11.3453 -11.3453 -0.8944 -0.8941 -0.1616 -0.1564 0.3058 0.3362 0.4475 0.4766 0.6968 0.6972 0.8209 0.8250 1.0126 1.0128 4.6015 4.6025 5.1817 5.1822 6.2961 6.2964 6.3283 6.3284 6.4808 6.4875 6.7504 6.7620 6.8982 6.8985 6.9150 6.9224 k = 0.0488-0.1171-0.0694 ( 8021 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7730 -18.7730 -18.3975 -18.3975 -18.3912 -18.3911 -16.9206 -16.9204 -16.8216 -16.8215 -16.5562 -16.5558 -16.4843 -16.4843 -16.4444 -16.4442 -16.4080 -16.4080 -11.5039 -11.5039 -11.3449 -11.3448 -0.8876 -0.8872 -0.1633 -0.1562 0.2920 0.3299 0.4455 0.4816 0.6902 0.6910 0.8169 0.8229 1.0038 1.0043 4.6051 4.6064 5.2006 5.2013 6.2733 6.2735 6.3225 6.3226 6.4853 6.4940 6.7380 6.7513 6.9076 6.9079 6.9345 6.9422 k = 0.0610-0.1463-0.0867 ( 8012 PWs) bands (ev): -37.5280 -37.5280 -35.6434 -35.6434 -35.5652 -35.5652 -18.7732 -18.7731 -18.3978 -18.3978 -18.3911 -18.3910 -16.9206 -16.9204 -16.8217 -16.8216 -16.5563 -16.5558 -16.4845 -16.4845 -16.4444 -16.4442 -16.4082 -16.4082 -11.5024 -11.5024 -11.3443 -11.3442 -0.8789 -0.8783 -0.1653 -0.1562 0.2764 0.3204 0.4442 0.4860 0.6817 0.6833 0.8115 0.8199 0.9931 0.9940 4.6099 4.6114 5.2239 5.2246 6.2448 6.2451 6.3162 6.3163 6.4909 6.5015 6.7258 6.7402 6.9194 6.9197 6.9564 6.9639 k = 0.0732-0.1756-0.1041 ( 8012 PWs) bands (ev): -37.5280 -37.5280 -35.6434 -35.6434 -35.5652 -35.5652 -18.7733 -18.7732 -18.3981 -18.3981 -18.3911 -18.3910 -16.9207 -16.9204 -16.8218 -16.8218 -16.5564 -16.5559 -16.4848 -16.4848 -16.4445 -16.4442 -16.4085 -16.4085 -11.5007 -11.5006 -11.3435 -11.3435 -0.8682 -0.8676 -0.1676 -0.1565 0.2591 0.3082 0.4434 0.4896 0.6715 0.6740 0.8047 0.8161 0.9809 0.9824 4.6161 4.6178 5.2507 5.2515 6.2122 6.2124 6.3090 6.3091 6.4972 6.5097 6.7142 6.7295 6.9335 6.9338 6.9799 6.9869 k = 0.0854-0.2049-0.1214 ( 8010 PWs) bands (ev): -37.5280 -37.5280 -35.6433 -35.6433 -35.5652 -35.5652 -18.7735 -18.7733 -18.3985 -18.3984 -18.3911 -18.3910 -16.9208 -16.9204 -16.8220 -16.8219 -16.5566 -16.5560 -16.4851 -16.4851 -16.4446 -16.4443 -16.4088 -16.4088 -11.4986 -11.4985 -11.3427 -11.3426 -0.8557 -0.8549 -0.1704 -0.1572 0.2404 0.2937 0.4426 0.4923 0.6596 0.6632 0.7964 0.8113 0.9674 0.9699 4.6236 4.6254 5.2799 5.2807 6.1768 6.1769 6.3010 6.3011 6.5038 6.5180 6.7040 6.7198 6.9499 6.9502 7.0046 7.0110 k = 0.0976-0.2341-0.1388 ( 8021 PWs) bands (ev): -37.5280 -37.5280 -35.6433 -35.6433 -35.5652 -35.5652 -18.7737 -18.7735 -18.3989 -18.3989 -18.3911 -18.3910 -16.9209 -16.9205 -16.8222 -16.8221 -16.5568 -16.5560 -16.4855 -16.4855 -16.4447 -16.4443 -16.4091 -16.4091 -11.4963 -11.4962 -11.3417 -11.3416 -0.8414 -0.8404 -0.1737 -0.1582 0.2203 0.2772 0.4414 0.4942 0.6462 0.6511 0.7864 0.8053 0.9533 0.9570 4.6326 4.6345 5.3100 5.3109 6.1402 6.1403 6.2923 6.2924 6.5100 6.5256 6.6960 6.7119 6.9683 6.9687 7.0300 7.0357 k = 0.1098-0.2634-0.1561 ( 8023 PWs) bands (ev): -37.5280 -37.5280 -35.6433 -35.6433 -35.5651 -35.5651 -18.7739 -18.7737 -18.3994 -18.3993 -18.3911 -18.3909 -16.9210 -16.9205 -16.8224 -16.8223 -16.5569 -16.5562 -16.4859 -16.4859 -16.4448 -16.4444 -16.4095 -16.4095 -11.4937 -11.4935 -11.3406 -11.3405 -0.8253 -0.8242 -0.1777 -0.1596 0.1990 0.2592 0.4396 0.4950 0.6314 0.6378 0.7749 0.7983 0.9389 0.9440 4.6430 4.6451 5.3392 5.3401 6.1043 6.1043 6.2829 6.2830 6.5150 6.5313 6.6913 6.7068 6.9887 6.9891 7.0560 7.0610 k = 0.1220-0.2927-0.1735 ( 8022 PWs) bands (ev): -37.5279 -37.5279 -35.6433 -35.6433 -35.5651 -35.5651 -18.7742 -18.7740 -18.3999 -18.3998 -18.3911 -18.3909 -16.9211 -16.9206 -16.8226 -16.8225 -16.5571 -16.5563 -16.4863 -16.4863 -16.4449 -16.4444 -16.4100 -16.4099 -11.4908 -11.4907 -11.3394 -11.3392 -0.8075 -0.8062 -0.1823 -0.1615 0.1767 0.2399 0.4370 0.4946 0.6155 0.6234 0.7619 0.7901 0.9246 0.9313 4.6550 4.6571 5.3651 5.3660 6.0713 6.0713 6.2729 6.2730 6.5176 6.5337 6.6914 6.7055 7.0109 7.0113 7.0824 7.0868 k = 0.1341-0.3219-0.1908 ( 8010 PWs) bands (ev): -37.5279 -37.5279 -35.6432 -35.6432 -35.5651 -35.5651 -18.7744 -18.7742 -18.4004 -18.4004 -18.3910 -18.3908 -16.9211 -16.9206 -16.8228 -16.8227 -16.5573 -16.5564 -16.4868 -16.4868 -16.4450 -16.4445 -16.4104 -16.4104 -11.4877 -11.4876 -11.3380 -11.3379 -0.7881 -0.7865 -0.1878 -0.1641 0.1534 0.2195 0.4333 0.4928 0.5989 0.6083 0.7478 0.7808 0.9106 0.9190 4.6686 4.6708 5.3848 5.3857 6.0440 6.0440 6.2625 6.2625 6.5171 6.5319 6.6971 6.7091 7.0347 7.0352 7.1091 7.1129 k = 0.1463-0.3512-0.2082 ( 8003 PWs) bands (ev): -37.5278 -37.5278 -35.6432 -35.6432 -35.5650 -35.5650 -18.7747 -18.7745 -18.4010 -18.4010 -18.3909 -18.3908 -16.9212 -16.9207 -16.8231 -16.8230 -16.5575 -16.5565 -16.4873 -16.4873 -16.4451 -16.4445 -16.4109 -16.4108 -11.4845 -11.4843 -11.3365 -11.3364 -0.7671 -0.7652 -0.1942 -0.1675 0.1294 0.1982 0.4283 0.4892 0.5819 0.5929 0.7329 0.7706 0.8973 0.9072 4.6838 4.6860 5.3951 5.3960 6.0252 6.0253 6.2516 6.2516 6.5129 6.5258 6.7089 6.7181 7.0602 7.0606 7.1360 7.1392 k = 0.1585-0.3805-0.2255 ( 8002 PWs) bands (ev): -37.5278 -37.5278 -35.6431 -35.6431 -35.5650 -35.5650 -18.7750 -18.7748 -18.4017 -18.4016 -18.3909 -18.3907 -16.9213 -16.9208 -16.8233 -16.8232 -16.5577 -16.5567 -16.4878 -16.4878 -16.4452 -16.4446 -16.4114 -16.4113 -11.4810 -11.4808 -11.3350 -11.3348 -0.7446 -0.7424 -0.2016 -0.1718 0.1049 0.1761 0.4219 0.4836 0.5651 0.5779 0.7174 0.7594 0.8845 0.8958 4.7006 4.7028 5.3934 5.3942 6.0172 6.0172 6.2404 6.2404 6.5054 6.5162 6.7262 6.7325 7.0870 7.0875 7.1629 7.1656 k = 0.1707-0.4098-0.2429 ( 8001 PWs) bands (ev): -37.5278 -37.5278 -35.6431 -35.6431 -35.5650 -35.5650 -18.7753 -18.7751 -18.4024 -18.4023 -18.3908 -18.3906 -16.9214 -16.9208 -16.8236 -16.8235 -16.5579 -16.5568 -16.4884 -16.4884 -16.4454 -16.4447 -16.4119 -16.4118 -11.4774 -11.4772 -11.3333 -11.3331 -0.7207 -0.7181 -0.2103 -0.1772 0.0801 0.1535 0.4140 0.4753 0.5489 0.5641 0.7017 0.7476 0.8723 0.8848 4.7190 4.7213 5.3783 5.3792 6.0205 6.0205 6.2289 6.2289 6.4955 6.5043 6.7481 6.7520 7.1152 7.1157 7.1898 7.1921 k = 0.1829-0.4390-0.2602 ( 8002 PWs) bands (ev): -37.5277 -37.5277 -35.6431 -35.6431 -35.5649 -35.5649 -18.7756 -18.7754 -18.4031 -18.4030 -18.3907 -18.3905 -16.9216 -16.9209 -16.8239 -16.8238 -16.5582 -16.5570 -16.4890 -16.4890 -16.4455 -16.4448 -16.4125 -16.4124 -11.4736 -11.4734 -11.3315 -11.3313 -0.6956 -0.6925 -0.2202 -0.1839 0.0553 0.1305 0.4045 0.4640 0.5338 0.5522 0.6860 0.7353 0.8606 0.8740 4.7390 4.7413 5.3505 5.3514 6.0339 6.0339 6.2172 6.2173 6.4842 6.4914 6.7739 6.7758 7.1446 7.1451 7.2165 7.2185 k = 0.1951-0.4683-0.2776 ( 8005 PWs) bands (ev): -37.5277 -37.5277 -35.6430 -35.6430 -35.5649 -35.5649 -18.7760 -18.7757 -18.4038 -18.4037 -18.3906 -18.3905 -16.9217 -16.9210 -16.8242 -16.8241 -16.5584 -16.5572 -16.4896 -16.4896 -16.4456 -16.4449 -16.4131 -16.4129 -11.4698 -11.4696 -11.3297 -11.3295 -0.6694 -0.6657 -0.2316 -0.1920 0.0308 0.1073 0.3936 0.4501 0.5199 0.5423 0.6705 0.7227 0.8493 0.8634 4.7606 4.7628 5.3119 5.3129 6.0544 6.0545 6.2054 6.2055 6.4730 6.4788 6.8030 6.8034 7.1751 7.1756 7.2427 7.2446 k = 0.2073-0.4976-0.2949 ( 7999 PWs) bands (ev): -37.5276 -37.5276 -35.6430 -35.6430 -35.5648 -35.5648 -18.7763 -18.7761 -18.4046 -18.4045 -18.3906 -18.3904 -16.9218 -16.9211 -16.8246 -16.8244 -16.5586 -16.5574 -16.4902 -16.4902 -16.4458 -16.4450 -16.4136 -16.4135 -11.4658 -11.4656 -11.3277 -11.3275 -0.6422 -0.6378 -0.2444 -0.2019 0.0070 0.0840 0.3816 0.4340 0.5075 0.5342 0.6553 0.7100 0.8382 0.8529 4.7836 4.7858 5.2649 5.2659 6.0784 6.0786 6.1936 6.1936 6.4634 6.4680 6.8342 6.8348 7.2065 7.2071 7.2682 7.2700 k = 0.2195-0.5268-0.3123 ( 7997 PWs) bands (ev): -37.5276 -37.5276 -35.6429 -35.6429 -35.5648 -35.5648 -18.7767 -18.7764 -18.4053 -18.4052 -18.3905 -18.3903 -16.9219 -16.9212 -16.8249 -16.8248 -16.5589 -16.5576 -16.4909 -16.4908 -16.4459 -16.4451 -16.4142 -16.4141 -11.4618 -11.4616 -11.3257 -11.3255 -0.6142 -0.6089 -0.2587 -0.2136 -0.0159 0.0607 0.3688 0.4167 0.4964 0.5275 0.6405 0.6974 0.8274 0.8424 4.8080 4.8102 5.2117 5.2129 6.1020 6.1025 6.1817 6.1818 6.4572 6.4608 6.8676 6.8688 7.2388 7.2395 7.2926 7.2945 k = 0.2317-0.5561-0.3296 ( 8002 PWs) bands (ev): -37.5275 -37.5275 -35.6429 -35.6429 -35.5647 -35.5647 -18.7771 -18.7768 -18.4061 -18.4060 -18.3904 -18.3902 -16.9220 -16.9214 -16.8252 -16.8251 -16.5591 -16.5579 -16.4915 -16.4915 -16.4461 -16.4452 -16.4148 -16.4147 -11.4578 -11.4576 -11.3236 -11.3234 -0.5858 -0.5792 -0.2744 -0.2273 -0.0375 0.0378 0.3559 0.3991 0.4865 0.5216 0.6260 0.6849 0.8166 0.8319 4.8337 4.8359 5.1543 5.1555 6.1219 6.1227 6.1699 6.1700 6.4562 6.4590 6.9030 6.9044 7.2717 7.2726 7.3153 7.3175 k = 0.2439-0.5854-0.3470 ( 8008 PWs) bands (ev): -37.5275 -37.5275 -35.6428 -35.6428 -35.5647 -35.5647 -18.7775 -18.7772 -18.4069 -18.4068 -18.3903 -18.3901 -16.9222 -16.9215 -16.8255 -16.8254 -16.5594 -16.5581 -16.4922 -16.4921 -16.4462 -16.4453 -16.4154 -16.4153 -11.4538 -11.4536 -11.3214 -11.3212 -0.5571 -0.5489 -0.2915 -0.2428 -0.0574 0.0152 0.3433 0.3818 0.4774 0.5162 0.6121 0.6726 0.8059 0.8213 4.8604 4.8627 5.0941 5.0955 6.1355 6.1364 6.1582 6.1584 6.4620 6.4641 6.9396 6.9409 7.3049 7.3063 7.3355 7.3384 k = 0.2561-0.6146-0.3643 ( 8009 PWs) bands (ev): -37.5274 -37.5274 -35.6428 -35.6428 -35.5647 -35.5647 -18.7778 -18.7775 -18.4077 -18.4076 -18.3902 -18.3900 -16.9223 -16.9216 -16.8259 -16.8258 -16.5596 -16.5583 -16.4928 -16.4928 -16.4464 -16.4455 -16.4160 -16.4158 -11.4498 -11.4496 -11.3192 -11.3190 -0.5287 -0.5182 -0.3098 -0.2598 -0.0757 -0.0067 0.3313 0.3653 0.4689 0.5109 0.5988 0.6606 0.7953 0.8107 4.8879 4.8904 5.0323 5.0339 6.1412 6.1417 6.1469 6.1477 6.4751 6.4767 6.9765 6.9775 7.3375 7.3404 7.3526 7.3573 k = 0.2683-0.6439-0.3817 ( 8012 PWs) bands (ev): -37.5274 -37.5274 -35.6427 -35.6427 -35.5646 -35.5646 -18.7782 -18.7779 -18.4085 -18.4084 -18.3900 -18.3899 -16.9224 -16.9217 -16.8262 -16.8261 -16.5598 -16.5586 -16.4935 -16.4934 -16.4465 -16.4456 -16.4166 -16.4164 -11.4458 -11.4456 -11.3169 -11.3167 -0.5013 -0.4876 -0.3291 -0.2777 -0.0921 -0.0277 0.3203 0.3500 0.4609 0.5055 0.5861 0.6491 0.7846 0.8000 4.9144 4.9177 4.9709 4.9733 6.1344 6.1347 6.1410 6.1425 6.4947 6.4960 7.0127 7.0131 7.3628 7.3648 7.3757 7.3799 k = 0.2805-0.6732-0.3990 ( 7997 PWs) bands (ev): -37.5274 -37.5274 -35.6427 -35.6427 -35.5646 -35.5646 -18.7786 -18.7783 -18.4093 -18.4092 -18.3899 -18.3898 -16.9225 -16.9218 -16.8265 -16.8264 -16.5600 -16.5588 -16.4941 -16.4940 -16.4467 -16.4457 -16.4172 -16.4170 -11.4420 -11.4417 -11.3147 -11.3144 -0.4761 -0.4576 -0.3488 -0.2951 -0.1066 -0.0476 0.3104 0.3359 0.4532 0.4999 0.5743 0.6380 0.7739 0.7893 4.9013 4.9023 4.9526 4.9528 6.1235 6.1237 6.1341 6.1354 6.5191 6.5203 7.0466 7.0471 7.3733 7.3745 7.4103 7.4120 k = 0.2927-0.7024-0.4164 ( 7994 PWs) bands (ev): -37.5273 -37.5273 -35.6427 -35.6427 -35.5645 -35.5645 -18.7789 -18.7786 -18.4101 -18.4099 -18.3898 -18.3897 -16.9226 -16.9219 -16.8269 -16.8268 -16.5603 -16.5590 -16.4947 -16.4947 -16.4468 -16.4459 -16.4177 -16.4175 -11.4382 -11.4380 -11.3124 -11.3121 -0.4551 -0.4298 -0.3674 -0.3102 -0.1189 -0.0660 0.3017 0.3233 0.4457 0.4938 0.5634 0.6274 0.7632 0.7786 4.8411 4.8415 4.9799 4.9808 6.1127 6.1129 6.1235 6.1245 6.5465 6.5478 7.0769 7.0785 7.3775 7.3801 7.4452 7.4463 k = 0.3049-0.7317-0.4337 ( 7991 PWs) bands (ev): -37.5273 -37.5273 -35.6426 -35.6426 -35.5645 -35.5645 -18.7793 -18.7790 -18.4108 -18.4107 -18.3897 -18.3895 -16.9227 -16.9221 -16.8272 -16.8271 -16.5605 -16.5593 -16.4954 -16.4953 -16.4469 -16.4460 -16.4183 -16.4180 -11.4345 -11.4343 -11.3100 -11.3098 -0.4418 -0.4133 -0.3762 -0.3196 -0.1289 -0.0824 0.2942 0.3122 0.4383 0.4870 0.5537 0.6173 0.7526 0.7678 4.7795 4.7801 5.0096 5.0107 6.1021 6.1023 6.1106 6.1114 6.5753 6.5768 7.1030 7.1057 7.3789 7.3828 7.4801 7.4808 k = 0.3171-0.7610-0.4511 ( 7987 PWs) bands (ev): -37.5272 -37.5272 -35.6426 -35.6426 -35.5644 -35.5644 -18.7796 -18.7794 -18.4115 -18.4114 -18.3896 -18.3894 -16.9228 -16.9222 -16.8275 -16.8274 -16.5607 -16.5595 -16.4959 -16.4959 -16.4471 -16.4461 -16.4188 -16.4185 -11.4310 -11.4308 -11.3078 -11.3075 -0.4396 -0.4234 -0.3603 -0.3203 -0.1359 -0.0963 0.2879 0.3025 0.4309 0.4795 0.5453 0.6079 0.7420 0.7571 4.7189 4.7197 5.0396 5.0407 6.0918 6.0921 6.0967 6.0972 6.6044 6.6061 7.1240 7.1279 7.3796 7.3845 7.5147 7.5153 k = 0.3293-0.7902-0.4684 ( 7987 PWs) bands (ev): -37.5272 -37.5272 -35.6425 -35.6425 -35.5644 -35.5644 -18.7800 -18.7797 -18.4122 -18.4121 -18.3895 -18.3893 -16.9229 -16.9223 -16.8278 -16.8277 -16.5608 -16.5597 -16.4965 -16.4964 -16.4472 -16.4463 -16.4193 -16.4190 -11.4277 -11.4275 -11.3055 -11.3053 -0.4480 -0.4427 -0.3377 -0.3138 -0.1389 -0.1068 0.2826 0.2942 0.4235 0.4711 0.5382 0.5990 0.7316 0.7466 4.6600 4.6608 5.0694 5.0705 6.0811 6.0817 6.0833 6.0838 6.6328 6.6348 7.1397 7.1445 7.3814 7.3872 7.5489 7.5494 k = 0.3415-0.8195-0.4858 ( 7983 PWs) bands (ev): -37.5271 -37.5271 -35.6425 -35.6425 -35.5644 -35.5644 -18.7803 -18.7800 -18.4129 -18.4128 -18.3894 -18.3893 -16.9230 -16.9224 -16.8281 -16.8280 -16.5610 -16.5600 -16.4971 -16.4970 -16.4473 -16.4464 -16.4198 -16.4195 -11.4245 -11.4243 -11.3033 -11.3031 -0.4633 -0.4629 -0.3175 -0.3051 -0.1368 -0.1127 0.2782 0.2873 0.4161 0.4619 0.5325 0.5908 0.7213 0.7361 4.6032 4.6041 5.0987 5.0996 6.0681 6.0688 6.0734 6.0736 6.6598 6.6620 7.1503 7.1558 7.3855 7.3919 7.5823 7.5828 k = 0.3537-0.8488-0.5031 ( 7979 PWs) bands (ev): -37.5271 -37.5271 -35.6424 -35.6424 -35.5643 -35.5643 -18.7806 -18.7804 -18.4135 -18.4134 -18.3893 -18.3892 -16.9231 -16.9226 -16.8284 -16.8283 -16.5612 -16.5602 -16.4976 -16.4975 -16.4474 -16.4466 -16.4202 -16.4199 -11.4215 -11.4213 -11.3011 -11.3009 -0.4837 -0.4806 -0.3022 -0.2983 -0.1292 -0.1127 0.2748 0.2815 0.4087 0.4521 0.5280 0.5833 0.7113 0.7258 4.5489 4.5498 5.1270 5.1278 6.0554 6.0563 6.0646 6.0647 6.6848 6.6872 7.1568 7.1627 7.3924 7.3990 7.6149 7.6153 k = 0.3659-0.8780-0.5205 ( 7974 PWs) bands (ev): -37.5271 -37.5271 -35.6424 -35.6424 -35.5643 -35.5643 -18.7809 -18.7807 -18.4141 -18.4140 -18.3892 -18.3891 -16.9232 -16.9227 -16.8286 -16.8285 -16.5614 -16.5604 -16.4981 -16.4980 -16.4475 -16.4467 -16.4206 -16.4203 -11.4187 -11.4185 -11.2991 -11.2989 -0.5035 -0.4993 -0.2951 -0.2927 -0.1161 -0.1064 0.2720 0.2767 0.4012 0.4418 0.5245 0.5764 0.7016 0.7158 4.4974 4.4983 5.1540 5.1547 6.0440 6.0451 6.0563 6.0564 6.7072 6.7098 7.1608 7.1667 7.4021 7.4086 7.6464 7.6468 k = 0.3780-0.9073-0.5378 ( 7959 PWs) bands (ev): -37.5270 -37.5270 -35.6424 -35.6424 -35.5642 -35.5642 -18.7811 -18.7809 -18.4147 -18.4146 -18.3891 -18.3890 -16.9233 -16.9228 -16.8289 -16.8288 -16.5615 -16.5606 -16.4985 -16.4984 -16.4476 -16.4468 -16.4210 -16.4207 -11.4161 -11.4160 -11.2971 -11.2969 -0.5223 -0.5178 -0.2951 -0.2890 -0.0989 -0.0942 0.2700 0.2730 0.3938 0.4312 0.5220 0.5701 0.6922 0.7061 4.4491 4.4499 5.1795 5.1800 6.0341 6.0355 6.0487 6.0488 6.7265 6.7293 7.1635 7.1692 7.4141 7.4203 7.6765 7.6769 k = 0.3902-0.9366-0.5552 ( 7971 PWs) bands (ev): -37.5270 -37.5270 -35.6423 -35.6423 -35.5642 -35.5642 -18.7814 -18.7812 -18.4152 -18.4151 -18.3890 -18.3889 -16.9233 -16.9229 -16.8291 -16.8290 -16.5616 -16.5608 -16.4989 -16.4989 -16.4477 -16.4470 -16.4213 -16.4211 -11.4138 -11.4136 -11.2953 -11.2951 -0.5399 -0.5355 -0.2976 -0.2895 -0.0791 -0.0777 0.2685 0.2700 0.3864 0.4204 0.5202 0.5644 0.6834 0.6968 4.4043 4.4051 5.2031 5.2035 6.0259 6.0275 6.0417 6.0417 6.7424 6.7453 7.1662 7.1715 7.4282 7.4339 7.7049 7.7053 k = 0.4024-0.9658-0.5725 ( 7969 PWs) bands (ev): -37.5270 -37.5270 -35.6423 -35.6423 -35.5642 -35.5642 -18.7816 -18.7815 -18.4157 -18.4156 -18.3889 -18.3888 -16.9234 -16.9230 -16.8293 -16.8292 -16.5617 -16.5610 -16.4993 -16.4992 -16.4478 -16.4471 -16.4216 -16.4214 -11.4117 -11.4115 -11.2936 -11.2934 -0.5561 -0.5520 -0.3014 -0.2929 -0.0588 -0.0583 0.2675 0.2679 0.3790 0.4097 0.5193 0.5592 0.6752 0.6880 4.3633 4.3640 5.2246 5.2248 6.0195 6.0212 6.0354 6.0354 6.7549 6.7577 7.1697 7.1745 7.4444 7.4494 7.7314 7.7317 k = 0.4146-0.9951-0.5899 ( 7965 PWs) bands (ev): -37.5269 -37.5269 -35.6423 -35.6423 -35.5642 -35.5642 -18.7818 -18.7817 -18.4161 -18.4160 -18.3889 -18.3888 -16.9234 -16.9231 -16.8295 -16.8294 -16.5618 -16.5611 -16.4996 -16.4996 -16.4479 -16.4473 -16.4219 -16.4217 -11.4098 -11.4096 -11.2920 -11.2919 -0.5707 -0.5670 -0.3058 -0.2976 -0.0390 -0.0376 0.2663 0.2670 0.3719 0.3991 0.5189 0.5545 0.6676 0.6797 4.3264 4.3270 5.2437 5.2439 6.0148 6.0165 6.0298 6.0298 6.7639 6.7667 7.1740 7.1783 7.4625 7.4668 7.7556 7.7560 k = 0.4268-1.0244-0.6072 ( 7975 PWs) bands (ev): -37.5269 -37.5269 -35.6423 -35.6423 -35.5641 -35.5641 -18.7820 -18.7819 -18.4164 -18.4164 -18.3888 -18.3887 -16.9235 -16.9232 -16.8297 -16.8296 -16.5619 -16.5613 -16.4999 -16.4999 -16.4479 -16.4474 -16.4222 -16.4220 -11.4081 -11.4080 -11.2906 -11.2905 -0.5836 -0.5804 -0.3102 -0.3028 -0.0197 -0.0178 0.2654 0.2667 0.3651 0.3887 0.5191 0.5503 0.6610 0.6720 4.2938 4.2944 5.2604 5.2605 6.0115 6.0132 6.0248 6.0249 6.7701 6.7726 7.1792 7.1828 7.4826 7.4862 7.7772 7.7776 k = 0.4390-1.0537-0.6246 ( 7979 PWs) bands (ev): -37.5269 -37.5269 -35.6422 -35.6422 -35.5641 -35.5641 -18.7822 -18.7821 -18.4168 -18.4167 -18.3888 -18.3887 -16.9235 -16.9233 -16.8298 -16.8298 -16.5620 -16.5615 -16.5002 -16.5002 -16.4479 -16.4475 -16.4224 -16.4222 -11.4067 -11.4066 -11.2894 -11.2893 -0.5947 -0.5920 -0.3143 -0.3080 -0.0016 0.0003 0.2650 0.2668 0.3588 0.3789 0.5199 0.5464 0.6553 0.6651 4.2658 4.2663 5.2745 5.2746 6.0095 6.0111 6.0207 6.0207 6.7738 6.7760 7.1848 7.1877 7.5046 7.5075 7.7922 7.7939 k = 0.4512-1.0829-0.6419 ( 7967 PWs) bands (ev): -37.5269 -37.5269 -35.6422 -35.6422 -35.5641 -35.5641 -18.7823 -18.7822 -18.4170 -18.4170 -18.3887 -18.3887 -16.9235 -16.9233 -16.8299 -16.8299 -16.5620 -16.5616 -16.5004 -16.5004 -16.4479 -16.4476 -16.4225 -16.4224 -11.4056 -11.4055 -11.2884 -11.2884 -0.6038 -0.6017 -0.3178 -0.3127 0.0143 0.0161 0.2650 0.2670 0.3533 0.3697 0.5212 0.5428 0.6507 0.6590 4.2426 4.2430 5.2860 5.2861 6.0084 6.0098 6.0174 6.0174 6.7757 6.7776 7.1902 7.1925 7.5282 7.5304 7.7788 7.7794 k = 0.4634-1.1122-0.6592 ( 7968 PWs) bands (ev): -37.5269 -37.5269 -35.6422 -35.6422 -35.5641 -35.5641 -18.7824 -18.7823 -18.4172 -18.4172 -18.3887 -18.3886 -16.9236 -16.9234 -16.8300 -16.8300 -16.5620 -16.5617 -16.5005 -16.5005 -16.4479 -16.4477 -16.4226 -16.4225 -11.4047 -11.4046 -11.2876 -11.2876 -0.6109 -0.6093 -0.3205 -0.3166 0.0275 0.0289 0.2654 0.2673 0.3489 0.3615 0.5229 0.5393 0.6473 0.6538 4.2244 4.2247 5.2949 5.2950 6.0079 6.0089 6.0149 6.0150 6.7765 6.7780 7.1950 7.1967 7.5527 7.5543 7.7593 7.7598 k = 0.4756-1.1415-0.6766 ( 7948 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7824 -18.7824 -18.4173 -18.4173 -18.3886 -18.3886 -16.9235 -16.9234 -16.8300 -16.8300 -16.5620 -16.5618 -16.5006 -16.5006 -16.4479 -16.4477 -16.4227 -16.4226 -11.4040 -11.4040 -11.2871 -11.2870 -0.6160 -0.6149 -0.3223 -0.3198 0.0375 0.0385 0.2660 0.2675 0.3461 0.3547 0.5250 0.5361 0.6452 0.6497 4.2112 4.2115 5.3013 5.3013 6.0077 6.0083 6.0133 6.0135 6.7768 6.7778 7.1988 7.1999 7.5766 7.5776 7.7384 7.7387 k = 0.4878-1.1707-0.6939 ( 7954 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7824 -18.4174 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5620 -16.5619 -16.5007 -16.5007 -16.4479 -16.4478 -16.4227 -16.4227 -11.4036 -11.4036 -11.2867 -11.2867 -0.6189 -0.6184 -0.3232 -0.3219 0.0438 0.0443 0.2666 0.2674 0.3451 0.3494 0.5274 0.5330 0.6444 0.6467 4.2034 4.2035 5.3051 5.3051 6.0075 6.0078 6.0126 6.0127 6.7768 6.7773 7.2013 7.2018 7.5962 7.5967 7.7202 7.7203 k = 0.5000-1.2000-0.7113 ( 7950 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4174 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5619 -16.5619 -16.5007 -16.5007 -16.4478 -16.4478 -16.4227 -16.4227 -11.4035 -11.4035 -11.2866 -11.2866 -0.6197 -0.6197 -0.3231 -0.3231 0.0461 0.0461 0.2671 0.2671 0.3462 0.3462 0.5301 0.5301 0.6449 0.6449 4.2008 4.2008 5.3063 5.3063 6.0075 6.0075 6.0124 6.0124 6.7770 6.7770 7.2023 7.2023 7.6047 7.6047 7.7123 7.7123 k = 0.5000-1.2000-0.7113 ( 7950 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4174 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5619 -16.5619 -16.5007 -16.5007 -16.4478 -16.4478 -16.4227 -16.4227 -11.4035 -11.4035 -11.2866 -11.2866 -0.6197 -0.6197 -0.3231 -0.3231 0.0461 0.0461 0.2671 0.2671 0.3462 0.3462 0.5301 0.5301 0.6449 0.6449 4.2008 4.2008 5.3063 5.3063 6.0075 6.0075 6.0124 6.0124 6.7770 6.7770 7.2023 7.2023 7.6047 7.6047 7.7123 7.7123 k = 0.5000-1.1817-0.7421 ( 7954 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4175 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5620 -16.5619 -16.5008 -16.5007 -16.4478 -16.4478 -16.4228 -16.4227 -11.4035 -11.4034 -11.2866 -11.2865 -0.6193 -0.6187 -0.3234 -0.3220 0.0460 0.0466 0.2638 0.2698 0.3433 0.3484 0.5257 0.5325 0.6414 0.6461 4.2018 4.2019 5.3070 5.3075 6.0001 6.0037 6.0128 6.0161 6.7801 6.7812 7.2049 7.2057 7.6024 7.6037 7.7078 7.7104 k = 0.5000-1.1635-0.7729 ( 7958 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4175 -18.4174 -18.3886 -18.3886 -16.9236 -16.9235 -16.8301 -16.8301 -16.5620 -16.5619 -16.5008 -16.5007 -16.4478 -16.4478 -16.4228 -16.4228 -11.4034 -11.4033 -11.2865 -11.2864 -0.6174 -0.6163 -0.3229 -0.3202 0.0464 0.0478 0.2597 0.2719 0.3397 0.3501 0.5192 0.5329 0.6356 0.6450 4.2050 4.2053 5.3094 5.3103 5.9830 5.9853 6.0203 6.0226 6.7904 6.7926 7.2133 7.2150 7.5971 7.5996 7.6980 7.7028 k = 0.5000-1.1452-0.8038 ( 7960 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4175 -18.4174 -18.3887 -18.3887 -16.9236 -16.9235 -16.8301 -16.8301 -16.5620 -16.5619 -16.5009 -16.5008 -16.4478 -16.4478 -16.4229 -16.4229 -11.4032 -11.4031 -11.2864 -11.2862 -0.6141 -0.6124 -0.3217 -0.3176 0.0474 0.0494 0.2548 0.2733 0.3354 0.3511 0.5108 0.5315 0.6276 0.6418 4.2104 4.2109 5.3134 5.3149 5.9550 5.9570 6.0314 6.0343 6.8069 6.8102 7.2272 7.2298 7.5893 7.5929 7.6846 7.6911 k = 0.5000-1.1269-0.8346 ( 7970 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7826 -18.7825 -18.4175 -18.4174 -18.3888 -18.3887 -16.9236 -16.9235 -16.8302 -16.8301 -16.5620 -16.5618 -16.5010 -16.5008 -16.4478 -16.4478 -16.4230 -16.4230 -11.4029 -11.4028 -11.2862 -11.2859 -0.6095 -0.6072 -0.3198 -0.3142 0.0488 0.0516 0.2489 0.2741 0.3302 0.3517 0.5005 0.5285 0.6176 0.6368 4.2181 4.2186 5.3191 5.3209 5.9177 5.9199 6.0467 6.0507 6.8287 6.8330 7.2460 7.2494 7.5799 7.5842 7.6688 7.6766 k = 0.5000-1.1086-0.8654 ( 7976 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7826 -18.7825 -18.4176 -18.4174 -18.3888 -18.3888 -16.9236 -16.9235 -16.8302 -16.8301 -16.5621 -16.5618 -16.5011 -16.5009 -16.4478 -16.4478 -16.4232 -16.4231 -11.4025 -11.4024 -11.2859 -11.2855 -0.6034 -0.6006 -0.3172 -0.3101 0.0506 0.0542 0.2420 0.2741 0.3239 0.3516 0.4886 0.5240 0.6060 0.6300 4.2278 4.2285 5.3261 5.3283 5.8727 5.8752 6.0664 6.0714 6.8546 6.8599 7.2686 7.2730 7.5696 7.5746 7.6512 7.6601 k = 0.5000-1.0904-0.8962 ( 7966 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7827 -18.7825 -18.4176 -18.4174 -18.3889 -18.3889 -16.9237 -16.9235 -16.8303 -16.8301 -16.5621 -16.5618 -16.5012 -16.5010 -16.4478 -16.4477 -16.4233 -16.4232 -11.4021 -11.4020 -11.2856 -11.2851 -0.5960 -0.5926 -0.3140 -0.3053 0.0527 0.0574 0.2338 0.2731 0.3166 0.3509 0.4755 0.5182 0.5930 0.6219 4.2397 4.2405 5.3343 5.3368 5.8215 5.8243 6.0902 6.0963 6.8836 6.8899 7.2938 7.2991 7.5597 7.5650 7.6324 7.6420 k = 0.5000-1.0721-0.9271 ( 7978 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5640 -35.5640 -18.7827 -18.7826 -18.4177 -18.4174 -18.3890 -18.3890 -16.9237 -16.9235 -16.8303 -16.8302 -16.5621 -16.5618 -16.5014 -16.5011 -16.4478 -16.4477 -16.4235 -16.4234 -11.4016 -11.4015 -11.2852 -11.2846 -0.5873 -0.5833 -0.3102 -0.2998 0.0551 0.0610 0.2242 0.2709 0.3082 0.3495 0.4615 0.5115 0.5791 0.6127 4.2538 4.2546 5.3435 5.3463 5.7655 5.7686 6.1181 6.1250 6.9148 6.9220 7.3196 7.3258 7.5515 7.5567 7.6128 7.6227 k = 0.5000-1.0538-0.9579 ( 7982 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5640 -35.5640 -18.7828 -18.7826 -18.4177 -18.4175 -18.3891 -18.3890 -16.9237 -16.9235 -16.8304 -16.8302 -16.5621 -16.5617 -16.5016 -16.5013 -16.4477 -16.4477 -16.4237 -16.4236 -11.4011 -11.4009 -11.2847 -11.2841 -0.5773 -0.5728 -0.3060 -0.2936 0.0577 0.0649 0.2131 0.2669 0.2988 0.3473 0.4473 0.5040 0.5649 0.6027 4.2699 4.2708 5.3536 5.3564 5.7058 5.7091 6.1498 6.1575 6.9473 6.9552 7.3435 7.3502 7.5465 7.5511 7.5939 7.6034 k = 0.5000-1.0356-0.9887 ( 7964 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5640 -35.5640 -18.7828 -18.7826 -18.4178 -18.4175 -18.3892 -18.3891 -16.9237 -16.9235 -16.8304 -16.8303 -16.5621 -16.5617 -16.5017 -16.5014 -16.4477 -16.4476 -16.4239 -16.4238 -11.4005 -11.4003 -11.2842 -11.2836 -0.5661 -0.5611 -0.3014 -0.2869 0.0603 0.0693 0.2003 0.2604 0.2889 0.3442 0.4334 0.4959 0.5511 0.5924 4.2880 4.2890 5.3641 5.3671 5.6432 5.6467 6.1852 6.1935 6.9800 6.9885 7.3619 7.3688 7.5452 7.5485 7.5798 7.5865 k = 0.5000-1.0173-1.0195 ( 7968 PWs) bands (ev): -37.5268 -37.5268 -35.6421 -35.6421 -35.5640 -35.5640 -18.7829 -18.7827 -18.4178 -18.4175 -18.3894 -18.3892 -16.9238 -16.9235 -16.8305 -16.8303 -16.5621 -16.5617 -16.5019 -16.5015 -16.4476 -16.4476 -16.4242 -16.4240 -11.3999 -11.3996 -11.2837 -11.2830 -0.5538 -0.5483 -0.2965 -0.2796 0.0627 0.0739 0.1860 0.2503 0.2793 0.3400 0.4205 0.4873 0.5382 0.5819 4.3082 4.3092 5.3750 5.3781 5.5786 5.5823 6.2238 6.2327 7.0118 7.0207 7.3715 7.3779 7.5382 7.5462 7.5796 7.5821 k = 0.5000-0.9990-1.0503 ( 7970 PWs) bands (ev): -37.5268 -37.5268 -35.6421 -35.6421 -35.5640 -35.5640 -18.7830 -18.7827 -18.4179 -18.4175 -18.3895 -18.3894 -16.9238 -16.9235 -16.8305 -16.8303 -16.5621 -16.5616 -16.5021 -16.5017 -16.4476 -16.4475 -16.4244 -16.4242 -11.3992 -11.3990 -11.2831 -11.2823 -0.5404 -0.5344 -0.2916 -0.2720 0.0647 0.0786 0.1702 0.2363 0.2703 0.3344 0.4090 0.4785 0.5267 0.5715 4.3303 4.3313 5.3857 5.3891 5.5128 5.5168 6.2654 6.2748 7.0413 7.0502 7.3709 7.3762 7.5258 7.5369 7.5949 7.5994 k = 0.5000-0.9807-1.0812 ( 7962 PWs) bands (ev): -37.5268 -37.5268 -35.6421 -35.6421 -35.5640 -35.5640 -18.7830 -18.7828 -18.4179 -18.4176 -18.3896 -18.3895 -16.9238 -16.9235 -16.8306 -16.8304 -16.5621 -16.5616 -16.5023 -16.5018 -16.4475 -16.4475 -16.4247 -16.4244 -11.3986 -11.3983 -11.2825 -11.2817 -0.5260 -0.5196 -0.2866 -0.2640 0.0658 0.0835 0.1535 0.2192 0.2614 0.3274 0.3994 0.4699 0.5170 0.5614 4.3543 4.3554 5.3950 5.3998 5.4468 5.4517 6.3098 6.3195 7.0666 7.0754 7.3612 7.3652 7.5160 7.5281 7.6214 7.6265 k = 0.5000-0.9625-1.1120 ( 7968 PWs) bands (ev): -37.5268 -37.5268 -35.6421 -35.6421 -35.5640 -35.5640 -18.7831 -18.7828 -18.4180 -18.4176 -18.3897 -18.3896 -16.9239 -16.9235 -16.8307 -16.8304 -16.5622 -16.5616 -16.5024 -16.5020 -16.4475 -16.4474 -16.4249 -16.4247 -11.3979 -11.3976 -11.2819 -11.2810 -0.5107 -0.5039 -0.2820 -0.2559 0.0651 0.0882 0.1370 0.1999 0.2522 0.3188 0.3917 0.4620 0.5090 0.5519 4.3802 4.3812 5.3748 5.3804 5.4111 5.4152 6.3566 6.3667 7.0861 7.0944 7.3440 7.3468 7.5124 7.5251 7.6527 7.6577 k = 0.5000-0.9442-1.1428 ( 7972 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5640 -35.5640 -18.7832 -18.7829 -18.4181 -18.4176 -18.3898 -18.3897 -16.9239 -16.9236 -16.8307 -16.8305 -16.5622 -16.5616 -16.5026 -16.5021 -16.4475 -16.4474 -16.4251 -16.4249 -11.3972 -11.3969 -11.2813 -11.2804 -0.4947 -0.4876 -0.2778 -0.2477 0.0612 0.0922 0.1225 0.1795 0.2426 0.3087 0.3859 0.4553 0.5024 0.5429 4.4079 4.4089 5.3111 5.3150 5.4208 5.4226 6.4056 6.4161 7.0984 7.1060 7.3212 7.3232 7.5166 7.5297 7.6858 7.6903 k = 0.5000-0.9259-1.1736 ( 7968 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5640 -35.5640 -18.7832 -18.7830 -18.4181 -18.4177 -18.3899 -18.3898 -16.9239 -16.9236 -16.8308 -16.8305 -16.5622 -16.5616 -16.5028 -16.5023 -16.4474 -16.4473 -16.4254 -16.4251 -11.3965 -11.3962 -11.2807 -11.2797 -0.4781 -0.4708 -0.2744 -0.2398 0.0523 0.0941 0.1135 0.1588 0.2329 0.2974 0.3817 0.4499 0.4971 0.5346 4.4373 4.4383 5.2458 5.2495 5.4306 5.4320 6.4565 6.4673 7.1028 7.1095 7.2942 7.2960 7.5285 7.5418 7.7185 7.7222 k = 0.5000-0.9077-1.2045 ( 7974 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5640 -35.5640 -18.7833 -18.7830 -18.4182 -18.4178 -18.3900 -18.3899 -16.9240 -16.9236 -16.8309 -16.8306 -16.5622 -16.5616 -16.5030 -16.5025 -16.4474 -16.4473 -16.4256 -16.4253 -11.3959 -11.3956 -11.2801 -11.2791 -0.4610 -0.4537 -0.2721 -0.2322 0.0381 0.0920 0.1119 0.1391 0.2235 0.2856 0.3789 0.4460 0.4928 0.5270 4.4684 4.4693 5.1814 5.1850 5.4399 5.4411 6.5090 6.5201 7.0996 7.1057 7.2643 7.2667 7.5470 7.5601 7.7495 7.7521 k = 0.5000-0.8894-1.2353 ( 7972 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5640 -35.5640 -18.7834 -18.7831 -18.4183 -18.4178 -18.3901 -18.3899 -16.9240 -16.9236 -16.8309 -16.8306 -16.5622 -16.5616 -16.5031 -16.5026 -16.4473 -16.4472 -16.4258 -16.4255 -11.3953 -11.3950 -11.2795 -11.2785 -0.4437 -0.4366 -0.2711 -0.2254 0.0206 0.0869 0.1142 0.1218 0.2147 0.2738 0.3772 0.4436 0.4892 0.5200 4.5010 4.5019 5.1186 5.1222 5.4484 5.4494 6.5628 6.5743 7.0897 7.0955 7.2327 7.2361 7.5700 7.5827 7.7773 7.7787 k = 0.5000-0.8711-1.2661 ( 7968 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5640 -35.5640 -18.7834 -18.7831 -18.4184 -18.4179 -18.3902 -18.3900 -16.9240 -16.9236 -16.8310 -16.8307 -16.5622 -16.5616 -16.5033 -16.5027 -16.4473 -16.4472 -16.4260 -16.4257 -11.3948 -11.3944 -11.2790 -11.2780 -0.4263 -0.4197 -0.2717 -0.2195 0.0021 0.0788 0.1083 0.1181 0.2071 0.2629 0.3762 0.4424 0.4861 0.5137 4.5352 4.5359 5.0578 5.0613 5.4560 5.4568 6.6175 6.6295 7.0746 7.0806 7.2001 7.2049 7.5955 7.6075 7.8003 7.8006 k = 0.5000-0.8529-1.2969 ( 7974 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7835 -18.7832 -18.4184 -18.4179 -18.3902 -18.3901 -16.9241 -16.9236 -16.8310 -16.8307 -16.5622 -16.5616 -16.5034 -16.5028 -16.4473 -16.4472 -16.4262 -16.4259 -11.3943 -11.3939 -11.2786 -11.2775 -0.4094 -0.4034 -0.2742 -0.2149 -0.0157 0.0675 0.1002 0.1212 0.2008 0.2533 0.3758 0.4423 0.4834 0.5080 4.5706 4.5713 4.9995 5.0029 5.4625 5.4631 6.6727 6.6854 7.0556 7.0620 7.1674 7.1736 7.6216 7.6329 7.8149 7.8162 k = 0.5000-0.8346-1.3277 ( 7976 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7835 -18.7832 -18.4185 -18.4180 -18.3903 -18.3901 -16.9241 -16.9237 -16.8311 -16.8308 -16.5623 -16.5616 -16.5035 -16.5029 -16.4473 -16.4472 -16.4263 -16.4260 -11.3939 -11.3935 -11.2782 -11.2771 -0.3935 -0.3881 -0.2784 -0.2119 -0.0316 0.0549 0.0957 0.1237 0.1963 0.2456 0.3757 0.4432 0.4809 0.5031 4.6071 4.6078 4.9440 4.9474 5.4677 5.4682 6.7275 6.7415 7.0342 7.0411 7.1351 7.1426 7.6471 7.6576 7.8201 7.8223 k = 0.5000-0.8163-1.3586 ( 7976 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7836 -18.7832 -18.4185 -18.4180 -18.3903 -18.3902 -16.9241 -16.9237 -16.8311 -16.8308 -16.5623 -16.5616 -16.5036 -16.5030 -16.4472 -16.4471 -16.4264 -16.4261 -11.3935 -11.3931 -11.2778 -11.2767 -0.3797 -0.3739 -0.2841 -0.2105 -0.0445 0.0429 0.0935 0.1254 0.1936 0.2401 0.3758 0.4450 0.4783 0.4990 4.6442 4.6449 4.8921 4.8955 5.4716 5.4720 6.7805 6.7968 7.0121 7.0192 7.1037 7.1123 7.6709 7.6806 7.8171 7.8196 k = 0.5000-0.7980-1.3894 ( 7972 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7836 -18.7833 -18.4186 -18.4180 -18.3903 -18.3902 -16.9241 -16.9237 -16.8311 -16.8308 -16.5623 -16.5616 -16.5037 -16.5031 -16.4472 -16.4471 -16.4265 -16.4262 -11.3933 -11.3929 -11.2776 -11.2765 -0.3693 -0.3615 -0.2903 -0.2104 -0.0540 0.0320 0.0933 0.1260 0.1929 0.2367 0.3759 0.4473 0.4755 0.4961 4.6806 4.6816 4.8452 4.8489 5.4741 5.4744 6.8282 6.8490 6.9915 6.9994 7.0743 7.0830 7.6921 7.7012 7.8087 7.8114 k = 0.5000-0.7798-1.4202 ( 7972 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7836 -18.7833 -18.4186 -18.4180 -18.3904 -18.3902 -16.9241 -16.9237 -16.8311 -16.8308 -16.5623 -16.5616 -16.5037 -16.5031 -16.4472 -16.4471 -16.4265 -16.4262 -11.3931 -11.3928 -11.2775 -11.2763 -0.3628 -0.3526 -0.2952 -0.2113 -0.0595 0.0227 0.0954 0.1258 0.1940 0.2353 0.3758 0.4499 0.4727 0.4943 4.7113 4.7129 4.8082 4.8127 5.4750 5.4754 6.8615 6.8907 6.9760 6.9911 7.0495 7.0565 7.7096 7.7186 7.7983 7.8008 k = 0.5000-0.7615-1.4510 ( 7970 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7836 -18.7833 -18.4186 -18.4180 -18.3904 -18.3902 -16.9241 -16.9237 -16.8311 -16.8308 -16.5623 -16.5616 -16.5037 -16.5031 -16.4472 -16.4471 -16.4265 -16.4262 -11.3931 -11.3927 -11.2774 -11.2763 -0.3604 -0.3498 -0.2965 -0.2129 -0.0609 0.0152 0.0996 0.1251 0.1967 0.2356 0.3756 0.4520 0.4705 0.4938 4.7171 4.7187 4.8017 4.8060 5.4743 5.4748 6.8685 6.9021 6.9723 6.9972 7.0390 7.0450 7.7219 7.7309 7.7891 7.7914 k = 0.5000-0.7432-1.4819 ( 7968 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7836 -18.7833 -18.4186 -18.4180 -18.3903 -18.3902 -16.9241 -16.9237 -16.8311 -16.8308 -16.5622 -16.5616 -16.5037 -16.5031 -16.4472 -16.4471 -16.4265 -16.4262 -11.3932 -11.3928 -11.2775 -11.2764 -0.3619 -0.3535 -0.2935 -0.2150 -0.0584 0.0096 0.1056 0.1244 0.2006 0.2376 0.3750 0.4519 0.4707 0.4945 4.6932 4.6936 4.8309 4.8340 5.4720 5.4726 6.8546 6.8858 6.9604 6.9840 7.0654 7.0719 7.7258 7.7345 7.7856 7.7872 k = 0.8243-0.6784-1.3633 ( 7968 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7836 -18.7833 -18.4186 -18.4180 -18.3903 -18.3902 -16.9241 -16.9237 -16.8311 -16.8308 -16.5622 -16.5616 -16.5037 -16.5031 -16.4472 -16.4471 -16.4265 -16.4262 -11.3932 -11.3928 -11.2775 -11.2764 -0.3619 -0.3535 -0.2935 -0.2150 -0.0584 0.0096 0.1056 0.1244 0.2006 0.2376 0.3750 0.4519 0.4707 0.4945 4.6932 4.6936 4.8309 4.8340 5.4720 5.4726 6.8546 6.8858 6.9604 6.9840 7.0654 7.0719 7.7258 7.7345 7.7856 7.7872 k = 0.8173-0.6615-1.3324 ( 7966 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7836 -18.7832 -18.4185 -18.4180 -18.3903 -18.3902 -16.9241 -16.9236 -16.8311 -16.8308 -16.5622 -16.5616 -16.5036 -16.5030 -16.4472 -16.4471 -16.4264 -16.4261 -11.3934 -11.3931 -11.2778 -11.2766 -0.3670 -0.3611 -0.2886 -0.2178 -0.0522 0.0062 0.1125 0.1244 0.2053 0.2413 0.3740 0.4490 0.4740 0.4963 4.6625 4.6626 4.8713 4.8739 5.4681 5.4687 6.8319 6.8609 6.9377 6.9592 7.1109 7.1170 7.7205 7.7281 7.7895 7.7902 k = 0.8102-0.6445-1.3015 ( 7974 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7835 -18.7832 -18.4185 -18.4180 -18.3903 -18.3901 -16.9241 -16.9236 -16.8311 -16.8308 -16.5622 -16.5616 -16.5035 -16.5030 -16.4473 -16.4471 -16.4264 -16.4260 -11.3938 -11.3934 -11.2781 -11.2770 -0.3751 -0.3697 -0.2841 -0.2216 -0.0428 0.0051 0.1165 0.1285 0.2105 0.2468 0.3725 0.4443 0.4797 0.4992 4.6332 4.6334 4.9151 4.9176 5.4625 5.4631 6.8062 6.8338 6.9125 6.9330 7.1591 7.1652 7.7097 7.7164 7.7965 7.7971 k = 0.8032-0.6276-1.2705 ( 7970 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7835 -18.7831 -18.4184 -18.4179 -18.3903 -18.3901 -16.9240 -16.9236 -16.8310 -16.8307 -16.5622 -16.5615 -16.5034 -16.5028 -16.4473 -16.4471 -16.4262 -16.4259 -11.3943 -11.3939 -11.2786 -11.2775 -0.3847 -0.3780 -0.2812 -0.2263 -0.0313 0.0064 0.1163 0.1378 0.2160 0.2540 0.3707 0.4388 0.4867 0.5032 4.6075 4.6077 4.9605 4.9631 5.4553 5.4558 6.7794 6.8061 6.8871 6.9069 7.2055 7.2118 7.6972 7.7034 7.8036 7.8042 k = 0.7961-0.6107-1.2396 ( 7970 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5640 -35.5640 -18.7834 -18.7831 -18.4183 -18.4178 -18.3902 -18.3901 -16.9240 -16.9236 -16.8309 -16.8307 -16.5622 -16.5615 -16.5033 -16.5027 -16.4473 -16.4471 -16.4260 -16.4257 -11.3950 -11.3946 -11.2793 -11.2782 -0.3944 -0.3861 -0.2801 -0.2320 -0.0187 0.0100 0.1149 0.1489 0.2218 0.2629 0.3685 0.4329 0.4949 0.5083 4.5858 4.5861 5.0072 5.0098 5.4464 5.4469 6.7525 6.7785 6.8620 6.8814 7.2473 7.2539 7.6852 7.6910 7.8090 7.8099 k = 0.7891-0.5938-1.2087 ( 7978 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5640 -35.5640 -18.7833 -18.7830 -18.4181 -18.4176 -18.3902 -18.3900 -16.9240 -16.9235 -16.8309 -16.8306 -16.5622 -16.5615 -16.5031 -16.5025 -16.4473 -16.4471 -16.4258 -16.4255 -11.3958 -11.3955 -11.2801 -11.2790 -0.4033 -0.3936 -0.2809 -0.2384 -0.0068 0.0161 0.1134 0.1605 0.2282 0.2733 0.3661 0.4270 0.5041 0.5145 4.5686 4.5689 5.0547 5.0574 5.4360 5.4364 6.7259 6.7512 6.8377 6.8566 7.2819 7.2890 7.6749 7.6804 7.8114 7.8134 k = 0.7820-0.5768-1.1778 ( 7982 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5640 -35.5640 -18.7832 -18.7829 -18.4179 -18.4174 -18.3902 -18.3900 -16.9239 -16.9235 -16.8308 -16.8305 -16.5621 -16.5614 -16.5029 -16.5023 -16.4474 -16.4471 -16.4256 -16.4253 -11.3968 -11.3965 -11.2810 -11.2800 -0.4109 -0.4001 -0.2834 -0.2454 0.0028 0.0244 0.1127 0.1720 0.2355 0.2845 0.3639 0.4212 0.5141 0.5217 4.5561 4.5564 5.1028 5.1057 5.4239 5.4243 6.6999 6.7246 6.8141 6.8328 7.3068 7.3144 7.6674 7.6722 7.8102 7.8139 k = 0.7750-0.5599-1.1468 ( 7976 PWs) bands (ev): -37.5268 -37.5268 -35.6421 -35.6421 -35.5640 -35.5640 -18.7831 -18.7828 -18.4177 -18.4172 -18.3901 -18.3900 -16.9239 -16.9234 -16.8306 -16.8304 -16.5621 -16.5613 -16.5026 -16.5021 -16.4474 -16.4471 -16.4253 -16.4250 -11.3980 -11.3977 -11.2821 -11.2812 -0.4172 -0.4053 -0.2872 -0.2527 0.0096 0.0329 0.1140 0.1830 0.2442 0.2960 0.3621 0.4160 0.5249 0.5301 4.5482 4.5487 5.1515 5.1546 5.4104 5.4106 6.6746 6.6988 6.7916 6.8099 7.3194 7.3278 7.6626 7.6663 7.8057 7.8112 k = 0.7679-0.5430-1.1159 ( 7978 PWs) bands (ev): -37.5268 -37.5268 -35.6421 -35.6421 -35.5640 -35.5640 -18.7829 -18.7826 -18.4174 -18.4170 -18.3901 -18.3899 -16.9238 -16.9234 -16.8305 -16.8303 -16.5620 -16.5613 -16.5023 -16.5018 -16.4474 -16.4470 -16.4250 -16.4247 -11.3994 -11.3990 -11.2834 -11.2824 -0.4219 -0.4090 -0.2921 -0.2602 0.0140 0.0389 0.1189 0.1933 0.2543 0.3070 0.3615 0.4119 0.5365 0.5396 4.5451 4.5458 5.2005 5.2037 5.3952 5.3954 6.6503 6.6739 6.7701 6.7880 7.3186 7.3277 7.6584 7.6607 7.7995 7.8062 k = 0.7609-0.5261-1.0850 ( 7980 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5640 -35.5640 -18.7827 -18.7824 -18.4171 -18.4167 -18.3901 -18.3899 -16.9238 -16.9233 -16.8303 -16.8301 -16.5620 -16.5612 -16.5019 -16.5015 -16.4474 -16.4470 -16.4246 -16.4244 -11.4009 -11.4006 -11.2848 -11.2839 -0.4249 -0.4110 -0.2976 -0.2678 0.0164 0.0407 0.1279 0.2026 0.2654 0.3166 0.3627 0.4098 0.5484 0.5506 4.5469 4.5478 5.2498 5.2531 5.3786 5.3788 6.6271 6.6502 6.7497 6.7674 7.3047 7.3145 7.6507 7.6520 7.7951 7.8015 k = 0.7538-0.5092-1.0541 ( 7978 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7826 -18.7822 -18.4168 -18.4164 -18.3900 -18.3899 -16.9237 -16.9232 -16.8302 -16.8299 -16.5619 -16.5611 -16.5016 -16.5011 -16.4474 -16.4469 -16.4243 -16.4240 -11.4026 -11.4023 -11.2864 -11.2855 -0.4262 -0.4115 -0.3035 -0.2755 0.0168 0.0387 0.1403 0.2109 0.2771 0.3242 0.3657 0.4109 0.5603 0.5633 4.5536 4.5546 5.2991 5.3022 5.3605 5.3609 6.6052 6.6278 6.7306 6.7480 7.2794 7.2897 7.6351 7.6381 7.7948 7.7995 k = 0.7468-0.4922-1.0231 ( 7982 PWs) bands (ev): -37.5269 -37.5269 -35.6422 -35.6422 -35.5641 -35.5641 -18.7823 -18.7820 -18.4164 -18.4160 -18.3900 -18.3898 -16.9237 -16.9232 -16.8300 -16.8298 -16.5618 -16.5610 -16.5012 -16.5007 -16.4474 -16.4469 -16.4239 -16.4236 -11.4045 -11.4042 -11.2880 -11.2872 -0.4259 -0.4103 -0.3097 -0.2833 0.0150 0.0344 0.1544 0.2180 0.2886 0.3306 0.3699 0.4162 0.5725 0.5771 4.5650 4.5662 5.3364 5.3395 5.3499 5.3561 6.5845 6.6067 6.7128 6.7301 7.2449 7.2553 7.6124 7.6170 7.7974 7.8002 k = 0.7397-0.4753-0.9922 ( 7986 PWs) bands (ev): -37.5269 -37.5269 -35.6422 -35.6422 -35.5641 -35.5641 -18.7821 -18.7818 -18.4160 -18.4156 -18.3900 -18.3898 -16.9236 -16.9231 -16.8298 -16.8296 -16.5617 -16.5608 -16.5008 -16.5003 -16.4474 -16.4468 -16.4234 -16.4232 -11.4066 -11.4063 -11.2898 -11.2890 -0.4240 -0.4077 -0.3159 -0.2913 0.0109 0.0294 0.1689 0.2235 0.2993 0.3373 0.3749 0.4259 0.5855 0.5916 4.5812 4.5825 5.3177 5.3191 5.3981 5.4027 6.5654 6.5871 6.6964 6.7135 7.2032 7.2136 7.5843 7.5899 7.7998 7.8014 k = 0.7327-0.4584-0.9613 ( 7986 PWs) bands (ev): -37.5269 -37.5269 -35.6423 -35.6423 -35.5641 -35.5641 -18.7819 -18.7816 -18.4155 -18.4152 -18.3900 -18.3898 -16.9235 -16.9230 -16.8296 -16.8294 -16.5616 -16.5607 -16.5003 -16.4999 -16.4474 -16.4468 -16.4230 -16.4227 -11.4089 -11.4086 -11.2918 -11.2910 -0.4209 -0.4041 -0.3219 -0.2995 0.0047 0.0248 0.1827 0.2274 0.3090 0.3450 0.3815 0.4389 0.5992 0.6067 4.6021 4.6035 5.2948 5.2961 5.4470 5.4516 6.5478 6.5692 6.6815 6.6985 7.1561 7.1663 7.5523 7.5584 7.7983 7.8013 k = 0.7256-0.4415-0.9304 ( 7978 PWs) bands (ev): -37.5270 -37.5270 -35.6423 -35.6423 -35.5642 -35.5642 -18.7816 -18.7813 -18.4150 -18.4147 -18.3900 -18.3898 -16.9234 -16.9229 -16.8293 -16.8291 -16.5615 -16.5605 -16.4998 -16.4994 -16.4474 -16.4467 -16.4225 -16.4222 -11.4114 -11.4111 -11.2938 -11.2931 -0.4168 -0.4002 -0.3270 -0.3079 -0.0032 0.0211 0.1948 0.2300 0.3179 0.3541 0.3907 0.4540 0.6135 0.6223 4.6275 4.6291 5.2700 5.2714 5.4956 5.5002 6.5318 6.5530 6.6681 6.6851 7.1053 7.1150 7.5174 7.5235 7.7908 7.7965 k = 0.7186-0.4246-0.8994 ( 7980 PWs) bands (ev): -37.5270 -37.5270 -35.6423 -35.6423 -35.5642 -35.5642 -18.7813 -18.7810 -18.4145 -18.4142 -18.3900 -18.3898 -16.9233 -16.9228 -16.8291 -16.8289 -16.5614 -16.5603 -16.4993 -16.4989 -16.4473 -16.4466 -16.4220 -16.4217 -11.4141 -11.4138 -11.2959 -11.2952 -0.4123 -0.3970 -0.3307 -0.3163 -0.0117 0.0184 0.2040 0.2324 0.3266 0.3646 0.4025 0.4704 0.6283 0.6383 4.6574 4.6591 5.2433 5.2448 5.5436 5.5482 6.5176 6.5386 6.6562 6.6734 7.0519 7.0611 7.4801 7.4860 7.7714 7.7801 k = 0.7115-0.4076-0.8685 ( 7988 PWs) bands (ev): -37.5270 -37.5270 -35.6424 -35.6424 -35.5643 -35.5643 -18.7810 -18.7807 -18.4139 -18.4136 -18.3900 -18.3898 -16.9232 -16.9227 -16.8288 -16.8286 -16.5613 -16.5602 -16.4987 -16.4984 -16.4473 -16.4465 -16.4215 -16.4212 -11.4170 -11.4167 -11.2981 -11.2975 -0.4084 -0.3957 -0.3328 -0.3234 -0.0202 0.0169 0.2094 0.2361 0.3358 0.3764 0.4165 0.4875 0.6436 0.6546 4.6916 4.6934 5.2149 5.2164 5.5909 5.5956 6.5051 6.5261 6.6460 6.6633 6.9971 7.0057 7.4407 7.4463 7.7475 7.7542 k = 0.7045-0.3907-0.8376 ( 7988 PWs) bands (ev): -37.5271 -37.5271 -35.6424 -35.6424 -35.5643 -35.5643 -18.7807 -18.7804 -18.4133 -18.4130 -18.3900 -18.3898 -16.9231 -16.9225 -16.8285 -16.8283 -16.5611 -16.5600 -16.4981 -16.4978 -16.4472 -16.4464 -16.4210 -16.4207 -11.4200 -11.4197 -11.3004 -11.2998 -0.4071 -0.3966 -0.3365 -0.3246 -0.0280 0.0170 0.2114 0.2412 0.3461 0.3894 0.4319 0.5050 0.6592 0.6711 4.7299 4.7319 5.1845 5.1861 5.6374 5.6422 6.4944 6.5155 6.6375 6.6549 6.9416 6.9495 7.3994 7.4047 7.7222 7.7277 k = 0.6974-0.3738-0.8066 ( 7992 PWs) bands (ev): -37.5271 -37.5271 -35.6425 -35.6425 -35.5643 -35.5643 -18.7804 -18.7801 -18.4127 -18.4124 -18.3900 -18.3898 -16.9230 -16.9224 -16.8282 -16.8280 -16.5609 -16.5598 -16.4976 -16.4973 -16.4471 -16.4463 -16.4204 -16.4202 -11.4232 -11.4229 -11.3027 -11.3021 -0.4112 -0.3988 -0.3414 -0.3195 -0.0345 0.0191 0.2116 0.2472 0.3576 0.4031 0.4482 0.5227 0.6751 0.6878 4.7722 4.7743 5.1521 5.1538 5.6830 5.6878 6.4855 6.5067 6.6306 6.6481 6.8862 6.8934 7.3566 7.3615 7.6941 7.6981 k = 0.6904-0.3569-0.7757 ( 7994 PWs) bands (ev): -37.5272 -37.5272 -35.6425 -35.6425 -35.5644 -35.5644 -18.7800 -18.7797 -18.4121 -18.4118 -18.3901 -18.3899 -16.9229 -16.9223 -16.8279 -16.8277 -16.5608 -16.5596 -16.4969 -16.4967 -16.4470 -16.4462 -16.4199 -16.4196 -11.4265 -11.4263 -11.3050 -11.3045 -0.4199 -0.4040 -0.3438 -0.3119 -0.0391 0.0235 0.2116 0.2537 0.3702 0.4172 0.4653 0.5405 0.6912 0.7045 4.8182 4.8204 5.1178 5.1195 5.7275 5.7323 6.4783 6.4998 6.6253 6.6430 6.8316 6.8380 7.3126 7.3172 7.6644 7.6674 k = 0.6833-0.3399-0.7448 ( 7986 PWs) bands (ev): -37.5272 -37.5272 -35.6426 -35.6426 -35.5644 -35.5644 -18.7797 -18.7794 -18.4114 -18.4111 -18.3901 -18.3899 -16.9228 -16.9222 -16.8276 -16.8274 -16.5606 -16.5594 -16.4963 -16.4960 -16.4469 -16.4461 -16.4193 -16.4190 -11.4301 -11.4298 -11.3074 -11.3069 -0.4316 -0.4137 -0.3432 -0.3039 -0.0410 0.0305 0.2122 0.2609 0.3837 0.4316 0.4827 0.5582 0.7074 0.7212 4.8677 4.8700 5.0816 5.0833 5.7708 5.7755 6.4725 6.4944 6.6217 6.6393 6.7784 6.7840 7.2678 7.2721 7.6322 7.6347 k = 0.6763-0.3230-0.7139 ( 7978 PWs) bands (ev): -37.5272 -37.5272 -35.6426 -35.6426 -35.5645 -35.5645 -18.7793 -18.7790 -18.4106 -18.4104 -18.3901 -18.3899 -16.9227 -16.9220 -16.8272 -16.8271 -16.5604 -16.5591 -16.4956 -16.4954 -16.4468 -16.4459 -16.4186 -16.4184 -11.4337 -11.4334 -11.3098 -11.3093 -0.4454 -0.4270 -0.3410 -0.2968 -0.0396 0.0403 0.2140 0.2691 0.3978 0.4460 0.5005 0.5759 0.7236 0.7379 4.9204 4.9227 5.0437 5.0453 5.8128 5.8174 6.4678 6.4903 6.6194 6.6365 6.7272 6.7326 7.2226 7.2265 7.5981 7.6004 k = 0.6692-0.3061-0.6829 ( 7980 PWs) bands (ev): -37.5273 -37.5273 -35.6426 -35.6426 -35.5645 -35.5645 -18.7789 -18.7786 -18.4099 -18.4097 -18.3902 -18.3900 -16.9225 -16.9219 -16.8269 -16.8268 -16.5602 -16.5589 -16.4950 -16.4948 -16.4467 -16.4458 -16.4180 -16.4178 -11.4375 -11.4372 -11.3122 -11.3118 -0.4607 -0.4428 -0.3386 -0.2918 -0.0342 0.0530 0.2174 0.2785 0.4122 0.4603 0.5186 0.5936 0.7398 0.7543 4.9739 4.9760 5.0061 5.0078 5.8533 5.8579 6.4635 6.4865 6.6174 6.6326 6.6792 6.6873 7.1773 7.1810 7.5623 7.5646 k = 0.6622-0.2892-0.6520 ( 7968 PWs) bands (ev): -37.5273 -37.5273 -35.6427 -35.6427 -35.5646 -35.5646 -18.7786 -18.7783 -18.4091 -18.4089 -18.3902 -18.3900 -16.9224 -16.9218 -16.8266 -16.8264 -16.5599 -16.5587 -16.4943 -16.4941 -16.4466 -16.4457 -16.4174 -16.4172 -11.4413 -11.4411 -11.3146 -11.3142 -0.4772 -0.4603 -0.3370 -0.2895 -0.0246 0.0686 0.2225 0.2895 0.4269 0.4743 0.5369 0.6111 0.7557 0.7706 4.9594 4.9612 5.0371 5.0400 5.8923 5.8967 6.4584 6.4814 6.6090 6.6189 6.6407 6.6600 7.1324 7.1359 7.5252 7.5276 k = 0.6551-0.2723-0.6211 ( 7982 PWs) bands (ev): -37.5274 -37.5274 -35.6427 -35.6427 -35.5646 -35.5646 -18.7782 -18.7779 -18.4084 -18.4082 -18.3903 -18.3901 -16.9223 -16.9216 -16.8262 -16.8261 -16.5597 -16.5585 -16.4936 -16.4935 -16.4465 -16.4456 -16.4168 -16.4166 -11.4453 -11.4450 -11.3169 -11.3165 -0.4946 -0.4790 -0.3367 -0.2903 -0.0107 0.0870 0.2294 0.3020 0.4416 0.4879 0.5554 0.6285 0.7715 0.7865 4.9165 4.9181 5.0979 5.1007 5.9297 5.9339 6.4498 6.4714 6.5840 6.5872 6.6319 6.6549 7.0884 7.0917 7.4870 7.4895 k = 0.6481-0.2553-0.5902 ( 7984 PWs) bands (ev): -37.5274 -37.5274 -35.6428 -35.6428 -35.5647 -35.5647 -18.7778 -18.7775 -18.4076 -18.4074 -18.3904 -18.3901 -16.9222 -16.9215 -16.8259 -16.8258 -16.5595 -16.5582 -16.4930 -16.4928 -16.4463 -16.4455 -16.4162 -16.4160 -11.4493 -11.4490 -11.3192 -11.3189 -0.5127 -0.4985 -0.3381 -0.2938 0.0070 0.1079 0.2383 0.3162 0.4564 0.5013 0.5741 0.6459 0.7870 0.8022 4.8716 4.8730 5.1614 5.1641 5.9653 5.9693 6.4336 6.4516 6.5585 6.5624 6.6345 6.6575 7.0458 7.0488 7.4481 7.4506 k = 0.6410-0.2384-0.5592 ( 7982 PWs) bands (ev): -37.5275 -37.5275 -35.6428 -35.6428 -35.5647 -35.5647 -18.7774 -18.7771 -18.4068 -18.4067 -18.3904 -18.3902 -16.9220 -16.9214 -16.8255 -16.8254 -16.5593 -16.5580 -16.4923 -16.4921 -16.4462 -16.4454 -16.4155 -16.4154 -11.4533 -11.4531 -11.3215 -11.3212 -0.5313 -0.5183 -0.3411 -0.2998 0.0279 0.1309 0.2489 0.3318 0.4711 0.5143 0.5931 0.6633 0.8021 0.8174 4.8252 4.8265 5.2269 5.2297 5.9991 6.0028 6.4070 6.4203 6.5418 6.5524 6.6399 6.6630 7.0051 7.0079 7.4087 7.4112 k = 0.6340-0.2215-0.5283 ( 7988 PWs) bands (ev): -37.5275 -37.5275 -35.6429 -35.6429 -35.5647 -35.5647 -18.7771 -18.7768 -18.4061 -18.4059 -18.3905 -18.3903 -16.9219 -16.9213 -16.8252 -16.8251 -16.5590 -16.5578 -16.4916 -16.4915 -16.4461 -16.4453 -16.4149 -16.4148 -11.4573 -11.4571 -11.3237 -11.3234 -0.5502 -0.5384 -0.3455 -0.3078 0.0512 0.1557 0.2613 0.3487 0.4859 0.5271 0.6124 0.6806 0.8168 0.8321 4.7776 4.7789 5.2939 5.2968 6.0310 6.0345 6.3722 6.3819 6.5350 6.5504 6.6471 6.6701 6.9669 6.9695 7.3690 7.3715 k = 0.6269-0.2046-0.4974 ( 7994 PWs) bands (ev): -37.5276 -37.5276 -35.6429 -35.6429 -35.5648 -35.5648 -18.7767 -18.7764 -18.4053 -18.4052 -18.3906 -18.3904 -16.9218 -16.9212 -16.8249 -16.8248 -16.5588 -16.5576 -16.4910 -16.4908 -16.4460 -16.4452 -16.4143 -16.4142 -11.4614 -11.4612 -11.3258 -11.3256 -0.5691 -0.5585 -0.3514 -0.3172 0.0764 0.1815 0.2752 0.3665 0.5007 0.5396 0.6321 0.6981 0.8311 0.8464 4.7291 4.7303 5.3622 5.3651 6.0609 6.0641 6.3331 6.3407 6.5337 6.5520 6.6556 6.6785 6.9320 6.9343 7.3294 7.3319 k = 0.6199-0.1877-0.4665 ( 7996 PWs) bands (ev): -37.5276 -37.5276 -35.6430 -35.6430 -35.5648 -35.5648 -18.7764 -18.7761 -18.4045 -18.4044 -18.3906 -18.3904 -16.9217 -16.9211 -16.8246 -16.8245 -16.5586 -16.5574 -16.4903 -16.4902 -16.4458 -16.4451 -16.4137 -16.4136 -11.4654 -11.4652 -11.3279 -11.3276 -0.5879 -0.5784 -0.3584 -0.3277 0.1026 0.2080 0.2903 0.3849 0.5156 0.5520 0.6523 0.7156 0.8449 0.8601 4.6800 4.6811 5.4314 5.4343 6.0889 6.0917 6.2925 6.2987 6.5344 6.5544 6.6654 6.6878 6.9012 6.9033 7.2902 7.2927 k = 0.6128-0.1707-0.4355 ( 7996 PWs) bands (ev): -37.5277 -37.5277 -35.6430 -35.6430 -35.5649 -35.5649 -18.7760 -18.7757 -18.4038 -18.4037 -18.3907 -18.3905 -16.9216 -16.9210 -16.8242 -16.8242 -16.5583 -16.5572 -16.4897 -16.4896 -16.4457 -16.4450 -16.4131 -16.4130 -11.4693 -11.4691 -11.3299 -11.3297 -0.6065 -0.5980 -0.3662 -0.3389 0.1294 0.2346 0.3064 0.4035 0.5307 0.5643 0.6730 0.7334 0.8582 0.8733 4.6304 4.6315 5.5008 5.5037 6.1148 6.1172 6.2518 6.2572 6.5348 6.5555 6.6763 6.6978 6.8755 6.8774 7.2517 7.2542 k = 0.6058-0.1538-0.4046 ( 7986 PWs) bands (ev): -37.5277 -37.5277 -35.6431 -35.6431 -35.5649 -35.5649 -18.7756 -18.7754 -18.4031 -18.4029 -18.3908 -18.3906 -16.9214 -16.9208 -16.8239 -16.8239 -16.5581 -16.5570 -16.4890 -16.4890 -16.4456 -16.4449 -16.4125 -16.4124 -11.4732 -11.4730 -11.3318 -11.3316 -0.6246 -0.6170 -0.3747 -0.3504 0.1564 0.2607 0.3232 0.4218 0.5460 0.5767 0.6944 0.7515 0.8709 0.8858 4.5809 4.5819 5.5701 5.5731 6.1383 6.1402 6.2121 6.2170 6.5333 6.5538 6.6885 6.7085 6.8559 6.8575 7.2142 7.2167 k = 0.5987-0.1369-0.3737 ( 7994 PWs) bands (ev): -37.5278 -37.5278 -35.6431 -35.6431 -35.5650 -35.5650 -18.7753 -18.7751 -18.4024 -18.4023 -18.3908 -18.3906 -16.9213 -16.9208 -16.8236 -16.8236 -16.5579 -16.5568 -16.4884 -16.4884 -16.4454 -16.4448 -16.4120 -16.4119 -11.4770 -11.4768 -11.3336 -11.3334 -0.6421 -0.6353 -0.3835 -0.3621 0.1832 0.2859 0.3401 0.4392 0.5615 0.5890 0.7166 0.7698 0.8832 0.8978 4.5315 4.5326 5.6388 5.6418 6.1555 6.1574 6.1780 6.1816 6.5285 6.5481 6.7019 6.7197 6.8428 6.8443 7.1781 7.1805 k = 0.5917-0.1200-0.3428 ( 7996 PWs) bands (ev): -37.5278 -37.5278 -35.6431 -35.6431 -35.5650 -35.5650 -18.7750 -18.7748 -18.4017 -18.4016 -18.3909 -18.3907 -16.9212 -16.9207 -16.8234 -16.8233 -16.5576 -16.5566 -16.4879 -16.4878 -16.4453 -16.4447 -16.4114 -16.4113 -11.4806 -11.4804 -11.3353 -11.3351 -0.6590 -0.6529 -0.3926 -0.3737 0.2093 0.3099 0.3569 0.4554 0.5772 0.6014 0.7394 0.7885 0.8949 0.9093 4.4828 4.4838 5.7062 5.7093 6.1311 6.1358 6.1841 6.1853 6.5200 6.5382 6.7162 6.7316 6.8363 6.8376 7.1436 7.1460 k = 0.5846-0.1031-0.3118 ( 8000 PWs) bands (ev): -37.5278 -37.5278 -35.6432 -35.6432 -35.5650 -35.5650 -18.7747 -18.7745 -18.4010 -18.4010 -18.3910 -18.3908 -16.9211 -16.9206 -16.8231 -16.8230 -16.5574 -16.5565 -16.4873 -16.4873 -16.4452 -16.4447 -16.4109 -16.4108 -11.4840 -11.4839 -11.3369 -11.3367 -0.6749 -0.6695 -0.4016 -0.3850 0.2346 0.3325 0.3732 0.4700 0.5930 0.6137 0.7627 0.8073 0.9063 0.9202 4.4351 4.4360 5.7717 5.7751 6.0957 6.1010 6.2012 6.2020 6.5079 6.5245 6.7314 6.7443 6.8355 6.8367 7.1110 7.1133 k = 0.5776-0.0861-0.2809 ( 8008 PWs) bands (ev): -37.5279 -37.5279 -35.6432 -35.6432 -35.5651 -35.5651 -18.7744 -18.7742 -18.4004 -18.4004 -18.3910 -18.3908 -16.9210 -16.9205 -16.8228 -16.8228 -16.5572 -16.5563 -16.4868 -16.4868 -16.4451 -16.4446 -16.4104 -16.4104 -11.4873 -11.4872 -11.3384 -11.3382 -0.6900 -0.6852 -0.4105 -0.3960 0.2588 0.3533 0.3886 0.4829 0.6086 0.6258 0.7864 0.8261 0.9175 0.9306 4.3887 4.3897 5.8344 5.8384 6.0617 6.0678 6.2172 6.2176 6.4931 6.5079 6.7469 6.7576 6.8395 6.8406 7.0805 7.0827 k = 0.5705-0.0692-0.2500 ( 8012 PWs) bands (ev): -37.5279 -37.5279 -35.6433 -35.6433 -35.5651 -35.5651 -18.7742 -18.7740 -18.3999 -18.3998 -18.3911 -18.3909 -16.9209 -16.9205 -16.8226 -16.8226 -16.5570 -16.5562 -16.4863 -16.4863 -16.4450 -16.4446 -16.4100 -16.4099 -11.4904 -11.4902 -11.3397 -11.3396 -0.7041 -0.6998 -0.4190 -0.4064 0.2818 0.3721 0.4033 0.4940 0.6237 0.6376 0.8099 0.8445 0.9286 0.9408 4.3442 4.3451 5.8924 5.8982 6.0304 6.0383 6.2314 6.2315 6.4764 6.4896 6.7624 6.7713 6.8468 6.8477 7.0524 7.0544 k = 0.5635-0.0523-0.2191 ( 8018 PWs) bands (ev): -37.5280 -37.5280 -35.6433 -35.6433 -35.5651 -35.5651 -18.7739 -18.7737 -18.3994 -18.3993 -18.3911 -18.3909 -16.9208 -16.9204 -16.8224 -16.8224 -16.5569 -16.5561 -16.4859 -16.4859 -16.4449 -16.4445 -16.4095 -16.4095 -11.4932 -11.4931 -11.3410 -11.3409 -0.7170 -0.7133 -0.4271 -0.4161 0.3033 0.3883 0.4175 0.5033 0.6381 0.6489 0.8327 0.8620 0.9399 0.9508 4.3019 4.3027 5.9398 5.9506 6.0054 6.0186 6.2435 6.2439 6.4587 6.4704 6.7776 6.7852 6.8564 6.8570 7.0268 7.0286 k = 0.5564-0.0354-0.1881 ( 8028 PWs) bands (ev): -37.5280 -37.5280 -35.6433 -35.6433 -35.5652 -35.5652 -18.7737 -18.7735 -18.3989 -18.3989 -18.3911 -18.3910 -16.9208 -16.9204 -16.8222 -16.8222 -16.5567 -16.5560 -16.4855 -16.4855 -16.4448 -16.4445 -16.4092 -16.4091 -11.4958 -11.4957 -11.3421 -11.3420 -0.7287 -0.7255 -0.4345 -0.4251 0.3233 0.4016 0.4315 0.5108 0.6515 0.6595 0.8541 0.8780 0.9517 0.9609 4.2623 4.2631 5.9529 5.9615 6.0208 6.0318 6.2538 6.2545 6.4408 6.4512 6.7921 6.7988 6.8671 6.8674 7.0039 7.0054 k = 0.5494-0.0184-0.1572 ( 8036 PWs) bands (ev): -37.5280 -37.5280 -35.6433 -35.6433 -35.5652 -35.5652 -18.7735 -18.7734 -18.3985 -18.3985 -18.3912 -18.3910 -16.9207 -16.9204 -16.8220 -16.8220 -16.5565 -16.5559 -16.4851 -16.4851 -16.4448 -16.4444 -16.4088 -16.4088 -11.4981 -11.4980 -11.3431 -11.3430 -0.7392 -0.7365 -0.4413 -0.4333 0.3416 0.4118 0.4455 0.5167 0.6636 0.6692 0.8732 0.8918 0.9643 0.9713 4.2259 4.2266 5.9374 5.9408 6.0665 6.0722 6.2624 6.2633 6.4232 6.4323 6.8055 6.8116 6.8778 6.8786 6.9837 6.9850 k = 0.5423-0.0015-0.1263 ( 8036 PWs) bands (ev): -37.5280 -37.5280 -35.6434 -35.6434 -35.5652 -35.5652 -18.7733 -18.7732 -18.3981 -18.3981 -18.3912 -18.3910 -16.9206 -16.9203 -16.8219 -16.8218 -16.5564 -16.5559 -16.4848 -16.4848 -16.4447 -16.4444 -16.4085 -16.4085 -11.5002 -11.5001 -11.3440 -11.3439 -0.7484 -0.7461 -0.4472 -0.4406 0.3582 0.4192 0.4590 0.5210 0.6743 0.6780 0.8894 0.9030 0.9772 0.9820 4.1931 4.1938 5.9181 5.9197 6.1111 6.1149 6.2694 6.2705 6.4060 6.4140 6.8176 6.8232 6.8881 6.8894 6.9664 6.9674 k = 0.5353 0.0154-0.0954 ( 8038 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5652 -35.5652 -18.7732 -18.7731 -18.3978 -18.3978 -18.3912 -18.3911 -16.9206 -16.9203 -16.8217 -16.8217 -16.5562 -16.5558 -16.4845 -16.4845 -16.4446 -16.4444 -16.4082 -16.4082 -11.5020 -11.5019 -11.3447 -11.3447 -0.7562 -0.7543 -0.4523 -0.4469 0.3730 0.4241 0.4718 0.5239 0.6834 0.6856 0.9024 0.9119 0.9900 0.9929 4.1645 4.1651 5.9003 5.9010 6.1518 6.1549 6.2749 6.2760 6.3893 6.3962 6.8281 6.8333 6.8976 6.8993 6.9520 6.9528 k = 0.5282 0.0323-0.0644 ( 8030 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7731 -18.7730 -18.3975 -18.3975 -18.3912 -18.3911 -16.9205 -16.9203 -16.8216 -16.8216 -16.5561 -16.5558 -16.4843 -16.4843 -16.4445 -16.4444 -16.4080 -16.4080 -11.5034 -11.5034 -11.3454 -11.3453 -0.7627 -0.7612 -0.4565 -0.4522 0.3860 0.4270 0.4834 0.5253 0.6909 0.6920 0.9124 0.9185 1.0019 1.0034 4.1404 4.1409 5.8851 5.8855 6.1881 6.1910 6.2790 6.2801 6.3731 6.3789 6.8370 6.8414 6.9059 6.9076 6.9406 6.9412 k = 0.5212 0.0492-0.0335 ( 8028 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7729 -18.7729 -18.3973 -18.3973 -18.3912 -18.3911 -16.9204 -16.9203 -16.8215 -16.8215 -16.5560 -16.5557 -16.4841 -16.4841 -16.4445 -16.4444 -16.4078 -16.4078 -11.5046 -11.5045 -11.3458 -11.3458 -0.7677 -0.7665 -0.4597 -0.4565 0.3973 0.4280 0.4938 0.5253 0.6967 0.6972 0.9195 0.9233 1.0120 1.0126 4.1212 4.1216 5.8730 5.8732 6.2201 6.2229 6.2821 6.2831 6.3569 6.3618 6.8439 6.8475 6.9126 6.9142 6.9322 6.9326 k = 0.5141 0.0662-0.0026 ( 8030 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7729 -18.7728 -18.3972 -18.3972 -18.3912 -18.3911 -16.9204 -16.9203 -16.8215 -16.8215 -16.5559 -16.5557 -16.4840 -16.4840 -16.4444 -16.4444 -16.4077 -16.4077 -11.5054 -11.5053 -11.3462 -11.3461 -0.7712 -0.7705 -0.4618 -0.4597 0.4067 0.4271 0.5028 0.5237 0.7008 0.7010 0.9243 0.9265 1.0197 1.0199 4.1073 4.1075 5.8642 5.8643 6.2476 6.2506 6.2843 6.2853 6.3407 6.3447 6.8488 6.8514 6.9175 6.9186 6.9265 6.9269 k = 0.5071 0.0831 0.0283 ( 8044 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3912 -18.3911 -16.9204 -16.9203 -16.8214 -16.8214 -16.5559 -16.5558 -16.4839 -16.4839 -16.4444 -16.4444 -16.4077 -16.4077 -11.5059 -11.5059 -11.3464 -11.3463 -0.7732 -0.7729 -0.4629 -0.4619 0.4144 0.4246 0.5103 0.5208 0.7033 0.7033 0.9272 0.9282 1.0245 1.0245 4.0989 4.0990 5.8589 5.8589 6.2692 6.2720 6.2870 6.2879 6.3249 6.3278 6.8519 6.8533 6.9204 6.9207 6.9236 6.9240 k = 0.5000 0.1000 0.0593 ( 8052 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3912 -18.3912 -16.9203 -16.9203 -16.8214 -16.8214 -16.5558 -16.5558 -16.4839 -16.4839 -16.4444 -16.4444 -16.4077 -16.4077 -11.5060 -11.5060 -11.3464 -11.3464 -0.7738 -0.7738 -0.4629 -0.4629 0.4204 0.4204 0.5163 0.5163 0.7041 0.7041 0.9284 0.9284 1.0261 1.0261 4.0961 4.0961 5.8571 5.8571 6.2785 6.2785 6.2921 6.2921 6.3163 6.3163 6.8534 6.8534 6.9209 6.9209 6.9234 6.9234 k = 0.5000 0.1000 0.0593 ( 8052 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3912 -18.3912 -16.9203 -16.9203 -16.8214 -16.8214 -16.5558 -16.5558 -16.4839 -16.4839 -16.4444 -16.4444 -16.4077 -16.4077 -11.5060 -11.5060 -11.3464 -11.3464 -0.7738 -0.7738 -0.4629 -0.4629 0.4204 0.4204 0.5163 0.5163 0.7041 0.7041 0.9284 0.9284 1.0261 1.0261 4.0961 4.0961 5.8571 5.8571 6.2785 6.2785 6.2921 6.2921 6.3163 6.3163 6.8534 6.8534 6.9209 6.9209 6.9234 6.9234 k = 0.4667 0.0933 0.0553 ( 8049 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3912 -18.3912 -16.9203 -16.9203 -16.8214 -16.8214 -16.5558 -16.5558 -16.4839 -16.4839 -16.4444 -16.4444 -16.4077 -16.4077 -11.5060 -11.5060 -11.3464 -11.3464 -0.7762 -0.7762 -0.4592 -0.4592 0.4201 0.4201 0.5156 0.5156 0.7041 0.7041 0.9271 0.9271 1.0261 1.0261 4.0998 4.0998 5.8494 5.8494 6.2790 6.2790 6.2926 6.2926 6.3203 6.3203 6.8516 6.8516 6.9205 6.9205 6.9229 6.9229 k = 0.4333 0.0867 0.0514 ( 8034 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3911 -18.3911 -16.9203 -16.9203 -16.8214 -16.8214 -16.5558 -16.5558 -16.4839 -16.4839 -16.4444 -16.4444 -16.4076 -16.4076 -11.5060 -11.5060 -11.3464 -11.3464 -0.7829 -0.7829 -0.4482 -0.4482 0.4195 0.4195 0.5134 0.5134 0.7041 0.7041 0.9234 0.9234 1.0261 1.0261 4.1110 4.1110 5.8270 5.8270 6.2803 6.2803 6.2941 6.2941 6.3312 6.3312 6.8465 6.8465 6.9195 6.9195 6.9217 6.9217 k = 0.4000 0.0800 0.0474 ( 8028 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3911 -18.3911 -16.9203 -16.9203 -16.8214 -16.8214 -16.5558 -16.5558 -16.4839 -16.4839 -16.4444 -16.4444 -16.4076 -16.4076 -11.5061 -11.5061 -11.3464 -11.3464 -0.7929 -0.7929 -0.4312 -0.4312 0.4183 0.4183 0.5100 0.5100 0.7042 0.7042 0.9173 0.9173 1.0260 1.0260 4.1293 4.1293 5.7920 5.7920 6.2825 6.2825 6.2964 6.2965 6.3472 6.3472 6.8386 6.8386 6.9178 6.9179 6.9197 6.9197 k = 0.3667 0.0733 0.0435 ( 8022 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3911 -18.3911 -16.9203 -16.9203 -16.8214 -16.8214 -16.5558 -16.5558 -16.4839 -16.4839 -16.4443 -16.4443 -16.4076 -16.4076 -11.5061 -11.5061 -11.3463 -11.3463 -0.8052 -0.8052 -0.4092 -0.4092 0.4164 0.4164 0.5052 0.5052 0.7043 0.7043 0.9093 0.9093 1.0259 1.0259 4.1545 4.1545 5.7470 5.7470 6.2854 6.2854 6.2996 6.2997 6.3660 6.3660 6.8288 6.8288 6.9155 6.9156 6.9171 6.9171 k = 0.3333 0.0667 0.0395 ( 8025 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3911 -18.3911 -16.9203 -16.9203 -16.8214 -16.8214 -16.5558 -16.5558 -16.4839 -16.4839 -16.4443 -16.4443 -16.4076 -16.4076 -11.5061 -11.5061 -11.3463 -11.3463 -0.8186 -0.8186 -0.3838 -0.3838 0.4136 0.4136 0.4994 0.4994 0.7044 0.7044 0.8999 0.8999 1.0257 1.0257 4.1862 4.1862 5.6942 5.6942 6.2889 6.2889 6.3035 6.3036 6.3855 6.3855 6.8181 6.8181 6.9128 6.9128 6.9140 6.9140 k = 0.3000 0.0600 0.0356 ( 8019 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3911 -18.3911 -16.9203 -16.9203 -16.8214 -16.8214 -16.5558 -16.5558 -16.4839 -16.4839 -16.4443 -16.4443 -16.4076 -16.4076 -11.5062 -11.5062 -11.3462 -11.3462 -0.8324 -0.8324 -0.3558 -0.3558 0.4096 0.4096 0.4929 0.4929 0.7045 0.7045 0.8895 0.8895 1.0256 1.0256 4.2237 4.2237 5.6355 5.6355 6.2930 6.2930 6.3080 6.3080 6.4045 6.4045 6.8076 6.8076 6.9096 6.9096 6.9107 6.9107 k = 0.2667 0.0533 0.0316 ( 8025 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3911 -18.3911 -16.9204 -16.9204 -16.8214 -16.8214 -16.5558 -16.5558 -16.4839 -16.4839 -16.4443 -16.4443 -16.4076 -16.4076 -11.5063 -11.5063 -11.3462 -11.3462 -0.8457 -0.8457 -0.3263 -0.3263 0.4041 0.4041 0.4860 0.4860 0.7046 0.7046 0.8786 0.8786 1.0254 1.0254 4.2664 4.2664 5.5725 5.5725 6.2974 6.2974 6.3129 6.3129 6.4217 6.4217 6.7982 6.7982 6.9061 6.9061 6.9071 6.9071 k = 0.2333 0.0467 0.0277 ( 8019 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3911 -18.3911 -16.9204 -16.9204 -16.8214 -16.8214 -16.5558 -16.5558 -16.4839 -16.4839 -16.4443 -16.4443 -16.4076 -16.4076 -11.5063 -11.5063 -11.3461 -11.3461 -0.8583 -0.8583 -0.2963 -0.2963 0.3967 0.3967 0.4794 0.4794 0.7048 0.7048 0.8679 0.8679 1.0252 1.0252 4.3134 4.3134 5.5066 5.5066 6.3020 6.3020 6.3180 6.3180 6.4366 6.4366 6.7904 6.7904 6.9024 6.9025 6.9034 6.9034 k = 0.2000 0.0400 0.0237 ( 8037 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3911 -18.3911 -16.9204 -16.9204 -16.8214 -16.8214 -16.5558 -16.5558 -16.4839 -16.4839 -16.4443 -16.4443 -16.4076 -16.4076 -11.5064 -11.5064 -11.3461 -11.3461 -0.8696 -0.8696 -0.2666 -0.2666 0.3873 0.3873 0.4737 0.4737 0.7049 0.7049 0.8578 0.8578 1.0250 1.0250 4.3636 4.3636 5.4395 5.4395 6.3065 6.3065 6.3230 6.3230 6.4490 6.4490 6.7845 6.7845 6.8987 6.8988 6.8998 6.8998 k = 0.1667 0.0333 0.0198 ( 8040 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3912 -18.3912 -16.9204 -16.9204 -16.8214 -16.8214 -16.5559 -16.5559 -16.4839 -16.4839 -16.4443 -16.4443 -16.4076 -16.4076 -11.5064 -11.5064 -11.3460 -11.3460 -0.8796 -0.8796 -0.2383 -0.2383 0.3762 0.3762 0.4690 0.4690 0.7050 0.7050 0.8488 0.8488 1.0248 1.0248 4.4156 4.4156 5.3728 5.3728 6.3109 6.3109 6.3278 6.3279 6.4586 6.4586 6.7806 6.7806 6.8953 6.8953 6.8964 6.8964 k = 0.1333 0.0267 0.0158 ( 8045 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3911 -18.3911 -16.9204 -16.9204 -16.8214 -16.8214 -16.5559 -16.5559 -16.4839 -16.4839 -16.4443 -16.4443 -16.4076 -16.4076 -11.5064 -11.5064 -11.3460 -11.3460 -0.8879 -0.8879 -0.2123 -0.2123 0.3643 0.3643 0.4654 0.4654 0.7051 0.7051 0.8410 0.8410 1.0247 1.0247 4.4674 4.4674 5.3087 5.3087 6.3148 6.3148 6.3322 6.3322 6.4658 6.4658 6.7783 6.7783 6.8921 6.8921 6.8933 6.8933 k = 0.1000 0.0200 0.0119 ( 8036 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3911 -18.3911 -16.9204 -16.9204 -16.8214 -16.8214 -16.5558 -16.5558 -16.4839 -16.4839 -16.4443 -16.4443 -16.4076 -16.4076 -11.5065 -11.5065 -11.3460 -11.3460 -0.8945 -0.8945 -0.1901 -0.1901 0.3528 0.3528 0.4629 0.4629 0.7052 0.7052 0.8348 0.8348 1.0246 1.0246 4.5162 4.5162 5.2503 5.2503 6.3180 6.3180 6.3358 6.3358 6.4708 6.4708 6.7773 6.7773 6.8895 6.8895 6.8908 6.8908 k = 0.0667 0.0133 0.0079 ( 8030 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3911 -18.3911 -16.9204 -16.9204 -16.8214 -16.8214 -16.5559 -16.5559 -16.4839 -16.4839 -16.4442 -16.4442 -16.4076 -16.4076 -11.5065 -11.5065 -11.3459 -11.3459 -0.8993 -0.8993 -0.1728 -0.1728 0.3431 0.3431 0.4612 0.4612 0.7053 0.7053 0.8303 0.8303 1.0245 1.0245 4.5578 4.5578 5.2016 5.2016 6.3205 6.3205 6.3386 6.3386 6.4741 6.4741 6.7771 6.7771 6.8875 6.8875 6.8889 6.8889 k = 0.0333 0.0067 0.0040 ( 8018 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3911 -18.3911 -16.9204 -16.9204 -16.8214 -16.8214 -16.5558 -16.5558 -16.4839 -16.4839 -16.4442 -16.4442 -16.4076 -16.4076 -11.5065 -11.5065 -11.3459 -11.3459 -0.9022 -0.9022 -0.1619 -0.1619 0.3365 0.3365 0.4603 0.4603 0.7053 0.7053 0.8276 0.8276 1.0244 1.0244 4.5868 4.5868 5.1685 5.1685 6.3221 6.3221 6.3403 6.3403 6.4759 6.4759 6.7771 6.7771 6.8862 6.8862 6.8877 6.8877 k = 0.0000 0.0000 0.0000 ( 8033 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3911 -18.3911 -16.9204 -16.9204 -16.8214 -16.8214 -16.5558 -16.5558 -16.4839 -16.4839 -16.4442 -16.4442 -16.4076 -16.4076 -11.5065 -11.5065 -11.3459 -11.3459 -0.9032 -0.9032 -0.1581 -0.1581 0.3342 0.3342 0.4600 0.4600 0.7053 0.7053 0.8266 0.8266 1.0244 1.0244 4.5973 4.5973 5.1565 5.1565 6.3226 6.3226 6.3409 6.3409 6.4764 6.4764 6.7772 6.7772 6.8858 6.8858 6.8872 6.8872 k = 0.0000 0.0000 0.0000 ( 8033 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3911 -18.3911 -16.9204 -16.9204 -16.8214 -16.8214 -16.5558 -16.5558 -16.4839 -16.4839 -16.4442 -16.4442 -16.4076 -16.4076 -11.5065 -11.5065 -11.3459 -11.3459 -0.9032 -0.9032 -0.1581 -0.1581 0.3342 0.3342 0.4600 0.4600 0.7053 0.7053 0.8266 0.8266 1.0244 1.0244 4.5973 4.5973 5.1565 5.1565 6.3226 6.3226 6.3409 6.3409 6.4764 6.4764 6.7772 6.7772 6.8858 6.8858 6.8872 6.8872 k = 0.0072-0.0173-0.0315 ( 8031 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3911 -18.3911 -16.9205 -16.9204 -16.8214 -16.8214 -16.5559 -16.5558 -16.4839 -16.4839 -16.4443 -16.4442 -16.4077 -16.4077 -11.5064 -11.5064 -11.3459 -11.3458 -0.9022 -0.9021 -0.1590 -0.1572 0.3270 0.3383 0.4548 0.4656 0.7044 0.7044 0.8256 0.8268 1.0230 1.0230 4.5978 4.5982 5.1593 5.1594 6.3200 6.3203 6.3386 6.3388 6.4762 6.4785 6.7715 6.7768 6.8874 6.8879 6.8890 6.8932 k = 0.0144-0.0345-0.0631 ( 8037 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7729 -18.7728 -18.3972 -18.3972 -18.3912 -18.3911 -16.9205 -16.9204 -16.8215 -16.8214 -16.5560 -16.5558 -16.4840 -16.4840 -16.4443 -16.4442 -16.4077 -16.4077 -11.5059 -11.5058 -11.3456 -11.3456 -0.8992 -0.8990 -0.1600 -0.1565 0.3170 0.3388 0.4505 0.4714 0.7014 0.7015 0.8236 0.8262 1.0189 1.0189 4.5997 4.6004 5.1675 5.1679 6.3110 6.3122 6.3330 6.3342 6.4778 6.4824 6.7616 6.7707 6.8919 6.8923 6.8994 6.9059 k = 0.0216-0.0518-0.0946 ( 8033 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7730 -18.7729 -18.3974 -18.3974 -18.3912 -18.3911 -16.9206 -16.9204 -16.8215 -16.8215 -16.5561 -16.5558 -16.4841 -16.4841 -16.4443 -16.4442 -16.4079 -16.4079 -11.5050 -11.5050 -11.3453 -11.3453 -0.8942 -0.8939 -0.1612 -0.1558 0.3047 0.3356 0.4473 0.4769 0.6964 0.6968 0.8205 0.8247 1.0121 1.0123 4.6031 4.6041 5.1811 5.1817 6.2940 6.2966 6.3265 6.3292 6.4811 6.4878 6.7494 6.7611 6.8993 6.8996 6.9157 6.9232 k = 0.0288-0.0690-0.1261 ( 8027 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7731 -18.7730 -18.3976 -18.3976 -18.3912 -18.3911 -16.9206 -16.9204 -16.8216 -16.8216 -16.5562 -16.5558 -16.4843 -16.4843 -16.4444 -16.4442 -16.4080 -16.4080 -11.5038 -11.5037 -11.3448 -11.3448 -0.8872 -0.8868 -0.1625 -0.1553 0.2902 0.3286 0.4453 0.4819 0.6895 0.6904 0.8162 0.8225 1.0030 1.0035 4.6079 4.6091 5.1996 5.2003 6.2701 6.2737 6.3198 6.3238 6.4857 6.4945 6.7364 6.7496 6.9095 6.9099 6.9358 6.9434 k = 0.0359-0.0863-0.1576 ( 8019 PWs) bands (ev): -37.5280 -37.5280 -35.6434 -35.6434 -35.5652 -35.5652 -18.7732 -18.7731 -18.3978 -18.3978 -18.3912 -18.3910 -16.9207 -16.9204 -16.8217 -16.8217 -16.5563 -16.5558 -16.4845 -16.4845 -16.4445 -16.4442 -16.4083 -16.4082 -11.5023 -11.5022 -11.3442 -11.3441 -0.8782 -0.8777 -0.1641 -0.1548 0.2739 0.3183 0.4441 0.4863 0.6806 0.6823 0.8105 0.8194 0.9919 0.9928 4.6141 4.6156 5.2224 5.2231 6.2407 6.2452 6.3123 6.3175 6.4914 6.5023 6.7232 6.7375 6.9225 6.9229 6.9584 6.9658 k = 0.0431-0.1035-0.1892 ( 8013 PWs) bands (ev): -37.5280 -37.5280 -35.6434 -35.6434 -35.5652 -35.5652 -18.7733 -18.7732 -18.3981 -18.3981 -18.3911 -18.3910 -16.9207 -16.9204 -16.8218 -16.8218 -16.5564 -16.5559 -16.4848 -16.4848 -16.4445 -16.4442 -16.4085 -16.4085 -11.5004 -11.5004 -11.3434 -11.3433 -0.8672 -0.8666 -0.1659 -0.1546 0.2558 0.3052 0.4432 0.4898 0.6699 0.6726 0.8033 0.8153 0.9791 0.9808 4.6218 4.6235 5.2486 5.2493 6.2072 6.2125 6.3040 6.3102 6.4981 6.5109 6.7102 6.7253 6.9381 6.9387 6.9829 6.9897 k = 0.0503-0.1208-0.2207 ( 8019 PWs) bands (ev): -37.5280 -37.5280 -35.6433 -35.6433 -35.5652 -35.5652 -18.7735 -18.7734 -18.3985 -18.3985 -18.3911 -18.3910 -16.9208 -16.9205 -16.8220 -16.8219 -16.5566 -16.5560 -16.4851 -16.4851 -16.4446 -16.4443 -16.4088 -16.4088 -11.4983 -11.4982 -11.3425 -11.3424 -0.8544 -0.8536 -0.1682 -0.1546 0.2362 0.2897 0.4424 0.4925 0.6574 0.6614 0.7945 0.8102 0.9651 0.9678 4.6309 4.6328 5.2771 5.2779 6.1711 6.1771 6.2947 6.3019 6.5055 6.5202 6.6975 6.7132 6.9561 6.9573 7.0087 7.0149 k = 0.0575-0.1380-0.2522 ( 8013 PWs) bands (ev): -37.5280 -37.5280 -35.6433 -35.6433 -35.5652 -35.5652 -18.7737 -18.7736 -18.3990 -18.3989 -18.3911 -18.3910 -16.9209 -16.9205 -16.8222 -16.8221 -16.5568 -16.5560 -16.4855 -16.4855 -16.4447 -16.4443 -16.4092 -16.4092 -11.4959 -11.4958 -11.3415 -11.3414 -0.8397 -0.8387 -0.1709 -0.1550 0.2152 0.2723 0.4411 0.4943 0.6433 0.6486 0.7842 0.8042 0.9502 0.9542 4.6416 4.6436 5.3065 5.3072 6.1339 6.1406 6.2846 6.2928 6.5134 6.5298 6.6853 6.7013 6.9766 6.9784 7.0357 7.0413 k = 0.0647-0.1553-0.2838 ( 8023 PWs) bands (ev): -37.5279 -37.5279 -35.6433 -35.6433 -35.5651 -35.5651 -18.7740 -18.7738 -18.3995 -18.3994 -18.3911 -18.3909 -16.9210 -16.9205 -16.8224 -16.8223 -16.5570 -16.5562 -16.4860 -16.4859 -16.4448 -16.4444 -16.4096 -16.4096 -11.4932 -11.4930 -11.3404 -11.3402 -0.8231 -0.8220 -0.1742 -0.1558 0.1929 0.2533 0.4393 0.4951 0.6276 0.6344 0.7723 0.7970 0.9350 0.9406 4.6537 4.6558 5.3350 5.3356 6.0976 6.1050 6.2740 6.2832 6.5214 6.5394 6.6734 6.6898 6.9994 7.0019 7.0637 7.0688 k = 0.0719-0.1725-0.3153 ( 8015 PWs) bands (ev): -37.5279 -37.5279 -35.6432 -35.6432 -35.5651 -35.5651 -18.7742 -18.7740 -18.4000 -18.3999 -18.3911 -18.3909 -16.9211 -16.9206 -16.8226 -16.8225 -16.5571 -16.5563 -16.4864 -16.4864 -16.4449 -16.4444 -16.4100 -16.4100 -11.4902 -11.4901 -11.3391 -11.3389 -0.8048 -0.8036 -0.1782 -0.1570 0.1697 0.2330 0.4366 0.4948 0.6108 0.6190 0.7591 0.7889 0.9196 0.9269 4.6673 4.6694 5.3602 5.3607 6.0644 6.0724 6.2632 6.2734 6.5294 6.5489 6.6620 6.6786 7.0244 7.0278 7.0926 7.0976 k = 0.0791-0.1898-0.3468 ( 8011 PWs) bands (ev): -37.5279 -37.5279 -35.6432 -35.6432 -35.5651 -35.5651 -18.7745 -18.7743 -18.4006 -18.4005 -18.3910 -18.3908 -16.9212 -16.9206 -16.8229 -16.8228 -16.5573 -16.5564 -16.4869 -16.4869 -16.4450 -16.4445 -16.4105 -16.4105 -11.4870 -11.4869 -11.3377 -11.3375 -0.7848 -0.7833 -0.1830 -0.1590 0.1456 0.2117 0.4330 0.4932 0.5931 0.6025 0.7448 0.7797 0.9043 0.9135 4.6824 4.6846 5.3793 5.3798 6.0366 6.0453 6.2526 6.2638 6.5370 6.5579 6.6510 6.6677 7.0513 7.0557 7.1226 7.1277 k = 0.0863-0.2070-0.3783 ( 8009 PWs) bands (ev): -37.5278 -37.5278 -35.6432 -35.6432 -35.5650 -35.5650 -18.7748 -18.7746 -18.4012 -18.4011 -18.3910 -18.3908 -16.9213 -16.9207 -16.8231 -16.8230 -16.5576 -16.5566 -16.4874 -16.4874 -16.4451 -16.4446 -16.4110 -16.4110 -11.4836 -11.4834 -11.3362 -11.3360 -0.7632 -0.7615 -0.1888 -0.1616 0.1208 0.1895 0.4284 0.4903 0.5748 0.5853 0.7298 0.7696 0.8892 0.9002 4.6990 4.7012 5.3895 5.3900 6.0166 6.0259 6.2430 6.2552 6.5442 6.5663 6.6404 6.6572 7.0801 7.0855 7.1535 7.1590 k = 0.0934-0.2243-0.4099 ( 8009 PWs) bands (ev): -37.5278 -37.5278 -35.6431 -35.6431 -35.5650 -35.5650 -18.7751 -18.7748 -18.4019 -18.4018 -18.3909 -18.3907 -16.9214 -16.9208 -16.8234 -16.8233 -16.5578 -16.5567 -16.4880 -16.4880 -16.4453 -16.4446 -16.4116 -16.4115 -11.4800 -11.4799 -11.3345 -11.3343 -0.7400 -0.7380 -0.1955 -0.1652 0.0957 0.1668 0.4226 0.4857 0.5563 0.5680 0.7142 0.7586 0.8744 0.8872 4.7171 4.7193 5.3883 5.3890 6.0056 6.0154 6.2355 6.2487 6.5508 6.5737 6.6303 6.6471 7.1104 7.1169 7.1854 7.1915 k = 0.1006-0.2415-0.4414 ( 8011 PWs) bands (ev): -37.5278 -37.5278 -35.6431 -35.6431 -35.5650 -35.5650 -18.7754 -18.7752 -18.4026 -18.4024 -18.3908 -18.3906 -16.9215 -16.9209 -16.8237 -16.8236 -16.5580 -16.5569 -16.4886 -16.4885 -16.4454 -16.4447 -16.4121 -16.4120 -11.4763 -11.4761 -11.3328 -11.3326 -0.7154 -0.7131 -0.2034 -0.1699 0.0705 0.1437 0.4157 0.4791 0.5380 0.5511 0.6983 0.7468 0.8599 0.8741 4.7367 4.7389 5.3748 5.3758 6.0027 6.0128 6.2321 6.2461 6.5566 6.5801 6.6209 6.6373 7.1421 7.1497 7.2183 7.2250 k = 0.1078-0.2588-0.4729 ( 8001 PWs) bands (ev): -37.5277 -37.5277 -35.6430 -35.6430 -35.5649 -35.5649 -18.7758 -18.7755 -18.4033 -18.4032 -18.3908 -18.3906 -16.9216 -16.9210 -16.8240 -16.8239 -16.5582 -16.5571 -16.4892 -16.4891 -16.4455 -16.4448 -16.4127 -16.4126 -11.4724 -11.4722 -11.3309 -11.3307 -0.6894 -0.6868 -0.2125 -0.1758 0.0455 0.1203 0.4078 0.4701 0.5203 0.5354 0.6822 0.7344 0.8456 0.8611 4.7577 4.7599 5.3496 5.3511 6.0047 6.0145 6.2358 6.2500 6.5618 6.5851 6.6125 6.6282 7.1750 7.1834 7.2520 7.2593 k = 0.1150-0.2760-0.5045 ( 7993 PWs) bands (ev): -37.5277 -37.5277 -35.6430 -35.6430 -35.5649 -35.5649 -18.7761 -18.7758 -18.4040 -18.4039 -18.3907 -18.3905 -16.9217 -16.9211 -16.8243 -16.8242 -16.5585 -16.5573 -16.4898 -16.4898 -16.4456 -16.4449 -16.4133 -16.4132 -11.4684 -11.4682 -11.3290 -11.3288 -0.6622 -0.6591 -0.2228 -0.1831 0.0209 0.0969 0.3989 0.4583 0.5036 0.5215 0.6660 0.7213 0.8314 0.8479 4.7801 4.7823 5.3149 5.3168 6.0065 6.0151 6.2497 6.2632 6.5664 6.5880 6.6062 6.6196 7.2086 7.2178 7.2862 7.2939 k = 0.1222-0.2933-0.5360 ( 7997 PWs) bands (ev): -37.5276 -37.5276 -35.6430 -35.6430 -35.5648 -35.5648 -18.7765 -18.7762 -18.4048 -18.4046 -18.3906 -18.3904 -16.9218 -16.9212 -16.8247 -16.8245 -16.5587 -16.5575 -16.4905 -16.4904 -16.4458 -16.4450 -16.4139 -16.4138 -11.4643 -11.4641 -11.3270 -11.3267 -0.6339 -0.6303 -0.2343 -0.1919 -0.0027 0.0737 0.3892 0.4442 0.4877 0.5093 0.6498 0.7077 0.8173 0.8345 4.8039 4.8060 5.2729 5.2752 6.0038 6.0104 6.2758 6.2876 6.5704 6.5870 6.6038 6.6117 7.2427 7.2524 7.3208 7.3286 k = 0.1294-0.3105-0.5675 ( 7997 PWs) bands (ev): -37.5276 -37.5276 -35.6429 -35.6429 -35.5648 -35.5648 -18.7768 -18.7766 -18.4056 -18.4054 -18.3906 -18.3903 -16.9220 -16.9213 -16.8250 -16.8249 -16.5589 -16.5577 -16.4912 -16.4911 -16.4459 -16.4451 -16.4145 -16.4144 -11.4602 -11.4600 -11.3249 -11.3246 -0.6047 -0.6004 -0.2470 -0.2024 -0.0252 0.0508 0.3791 0.4284 0.4729 0.4985 0.6335 0.6936 0.8032 0.8209 4.8289 4.8311 5.2260 5.2286 5.9945 5.9988 6.3133 6.3229 6.5743 6.5828 6.6047 6.6051 7.2769 7.2868 7.3553 7.3629 k = 0.1366-0.3278-0.5991 ( 8003 PWs) bands (ev): -37.5275 -37.5275 -35.6429 -35.6429 -35.5647 -35.5647 -18.7772 -18.7769 -18.4064 -18.4062 -18.3905 -18.3903 -16.9221 -16.9214 -16.8254 -16.8252 -16.5592 -16.5579 -16.4919 -16.4917 -16.4461 -16.4452 -16.4152 -16.4150 -11.4561 -11.4558 -11.3227 -11.3224 -0.5747 -0.5696 -0.2607 -0.2145 -0.0461 0.0284 0.3688 0.4118 0.4588 0.4884 0.6173 0.6790 0.7890 0.8070 4.8552 4.8574 5.1759 5.1788 5.9785 5.9808 6.3598 6.3670 6.5776 6.5785 6.5988 6.6079 7.3107 7.3204 7.3894 7.3965 k = 0.1438-0.3450-0.6306 ( 8003 PWs) bands (ev): -37.5275 -37.5275 -35.6428 -35.6428 -35.5647 -35.5647 -18.7776 -18.7773 -18.4072 -18.4070 -18.3904 -18.3902 -16.9222 -16.9215 -16.8257 -16.8256 -16.5594 -16.5581 -16.4926 -16.4924 -16.4462 -16.4454 -16.4158 -16.4156 -11.4519 -11.4517 -11.3204 -11.3201 -0.5443 -0.5380 -0.2753 -0.2282 -0.0653 0.0067 0.3586 0.3949 0.4454 0.4786 0.6011 0.6640 0.7748 0.7928 4.8827 4.8848 5.1240 5.1272 5.9568 5.9575 6.4124 6.4171 6.5736 6.5828 6.5941 6.6115 7.3435 7.3527 7.4229 7.4290 k = 0.1509-0.3623-0.6621 ( 8001 PWs) bands (ev): -37.5274 -37.5274 -35.6428 -35.6428 -35.5646 -35.5646 -18.7780 -18.7777 -18.4079 -18.4077 -18.3904 -18.3901 -16.9223 -16.9216 -16.8260 -16.8259 -16.5597 -16.5584 -16.4933 -16.4931 -16.4464 -16.4455 -16.4164 -16.4162 -11.4478 -11.4475 -11.3181 -11.3178 -0.5136 -0.5058 -0.2906 -0.2431 -0.0826 -0.0141 0.3486 0.3783 0.4325 0.4687 0.5850 0.6486 0.7605 0.7784 4.9111 4.9133 5.0715 5.0748 5.9296 5.9305 6.4679 6.4703 6.5705 6.5878 6.5925 6.6163 7.3746 7.3830 7.4556 7.4603 k = 0.1581-0.3795-0.6936 ( 7995 PWs) bands (ev): -37.5274 -37.5274 -35.6427 -35.6427 -35.5646 -35.5646 -18.7784 -18.7781 -18.4087 -18.4085 -18.3903 -18.3901 -16.9225 -16.9217 -16.8264 -16.8262 -16.5599 -16.5586 -16.4939 -16.4937 -16.4465 -16.4456 -16.4171 -16.4169 -11.4437 -11.4435 -11.3158 -11.3154 -0.4830 -0.4733 -0.3064 -0.2588 -0.0979 -0.0337 0.3389 0.3620 0.4201 0.4586 0.5690 0.6328 0.7461 0.7637 4.9405 4.9425 5.0194 5.0228 5.8982 5.9001 6.5178 6.5253 6.5695 6.5878 6.6037 6.6246 7.4032 7.4105 7.4878 7.4907 k = 0.1653-0.3968-0.7252 ( 8005 PWs) bands (ev): -37.5273 -37.5273 -35.6427 -35.6427 -35.5645 -35.5645 -18.7788 -18.7785 -18.4095 -18.4093 -18.3902 -18.3900 -16.9226 -16.9219 -16.8267 -16.8266 -16.5601 -16.5588 -16.4946 -16.4944 -16.4466 -16.4457 -16.4177 -16.4175 -11.4397 -11.4395 -11.3134 -11.3130 -0.4533 -0.4406 -0.3223 -0.2746 -0.1111 -0.0521 0.3295 0.3460 0.4081 0.4482 0.5531 0.6167 0.7316 0.7487 4.9645 4.9668 4.9748 4.9767 5.8636 5.8663 6.5509 6.5622 6.5788 6.5908 6.6312 6.6459 7.4284 7.4346 7.5196 7.5205 k = 0.1725-0.4140-0.7567 ( 8007 PWs) bands (ev): -37.5273 -37.5273 -35.6426 -35.6426 -35.5645 -35.5645 -18.7791 -18.7788 -18.4103 -18.4100 -18.3902 -18.3900 -16.9227 -16.9220 -16.8271 -16.8269 -16.5603 -16.5591 -16.4953 -16.4951 -16.4467 -16.4458 -16.4183 -16.4181 -11.4358 -11.4355 -11.3110 -11.3105 -0.4253 -0.4081 -0.3382 -0.2893 -0.1221 -0.0690 0.3201 0.3304 0.3965 0.4375 0.5374 0.6002 0.7170 0.7335 4.9174 4.9210 5.0022 5.0043 5.8262 5.8295 6.5621 6.5707 6.5867 6.6063 6.6792 6.6921 7.4497 7.4551 7.5504 7.5512 k = 0.1797-0.4313-0.7882 ( 8007 PWs) bands (ev): -37.5272 -37.5272 -35.6426 -35.6426 -35.5644 -35.5644 -18.7795 -18.7792 -18.4110 -18.4107 -18.3901 -18.3899 -16.9228 -16.9221 -16.8274 -16.8273 -16.5605 -16.5593 -16.4960 -16.4957 -16.4469 -16.4460 -16.4190 -16.4187 -11.4320 -11.4317 -11.3086 -11.3081 -0.4013 -0.3764 -0.3533 -0.3011 -0.1306 -0.0840 0.3099 0.3158 0.3854 0.4265 0.5221 0.5835 0.7024 0.7182 4.8695 4.8731 5.0336 5.0357 5.7863 5.7900 6.5654 6.5772 6.5910 6.6163 6.7394 6.7506 7.4671 7.4722 7.5806 7.5828 k = 0.1869-0.4485-0.8198 ( 8001 PWs) bands (ev): -37.5272 -37.5272 -35.6425 -35.6425 -35.5644 -35.5644 -18.7799 -18.7796 -18.4117 -18.4114 -18.3901 -18.3899 -16.9229 -16.9223 -16.8278 -16.8276 -16.5607 -16.5595 -16.4966 -16.4963 -16.4470 -16.4461 -16.4195 -16.4193 -11.4283 -11.4281 -11.3061 -11.3056 -0.3852 -0.3692 -0.3445 -0.3060 -0.1361 -0.0967 0.2966 0.3040 0.3747 0.4153 0.5071 0.5667 0.6877 0.7028 4.8239 4.8274 5.0654 5.0674 5.7441 5.7482 6.5689 6.5822 6.5966 6.6238 6.8029 6.8127 7.4812 7.4863 7.6110 7.6142 k = 0.1941-0.4658-0.8513 ( 7995 PWs) bands (ev): -37.5271 -37.5271 -35.6425 -35.6425 -35.5644 -35.5644 -18.7802 -18.7799 -18.4124 -18.4121 -18.3901 -18.3899 -16.9230 -16.9224 -16.8281 -16.8279 -16.5609 -16.5597 -16.4973 -16.4970 -16.4471 -16.4462 -16.4201 -16.4199 -11.4248 -11.4246 -11.3037 -11.3032 -0.3844 -0.3795 -0.3163 -0.3001 -0.1380 -0.1066 0.2810 0.2938 0.3645 0.4040 0.4926 0.5498 0.6732 0.6873 4.7809 4.7844 5.0973 5.0994 5.7000 5.7044 6.5736 6.5874 6.6033 6.6310 6.8669 6.8757 7.4929 7.4982 7.6411 7.6451 k = 0.2013-0.4830-0.8828 ( 8004 PWs) bands (ev): -37.5271 -37.5271 -35.6424 -35.6424 -35.5643 -35.5643 -18.7806 -18.7803 -18.4131 -18.4128 -18.3900 -18.3898 -16.9232 -16.9225 -16.8284 -16.8282 -16.5611 -16.5599 -16.4979 -16.4976 -16.4471 -16.4463 -16.4207 -16.4205 -11.4215 -11.4212 -11.3014 -11.3008 -0.3965 -0.3853 -0.2945 -0.2838 -0.1351 -0.1129 0.2645 0.2832 0.3546 0.3927 0.4787 0.5331 0.6587 0.6719 4.7409 4.7444 5.1293 5.1313 5.6541 5.6587 6.5795 6.5935 6.6110 6.6387 6.9304 6.9384 7.5031 7.5086 7.6701 7.6752 k = 0.2085-0.5003-0.9143 ( 8002 PWs) bands (ev): -37.5270 -37.5270 -35.6424 -35.6424 -35.5643 -35.5643 -18.7809 -18.7806 -18.4137 -18.4134 -18.3900 -18.3898 -16.9233 -16.9226 -16.8287 -16.8285 -16.5612 -16.5601 -16.4985 -16.4981 -16.4472 -16.4464 -16.4213 -16.4210 -11.4183 -11.4180 -11.2990 -11.2984 -0.4081 -0.3941 -0.2810 -0.2631 -0.1268 -0.1142 0.2475 0.2719 0.3449 0.3815 0.4654 0.5168 0.6444 0.6566 4.7042 4.7076 5.1611 5.1630 5.6069 5.6116 6.5870 6.6008 6.6197 6.6470 6.9925 6.9999 7.5124 7.5182 7.6963 7.7034 k = 0.2156-0.5175-0.9459 ( 7998 PWs) bands (ev): -37.5270 -37.5270 -35.6424 -35.6424 -35.5642 -35.5642 -18.7812 -18.7809 -18.4143 -18.4139 -18.3900 -18.3898 -16.9234 -16.9227 -16.8290 -16.8288 -16.5614 -16.5603 -16.4990 -16.4987 -16.4473 -16.4465 -16.4218 -16.4215 -11.4153 -11.4150 -11.2968 -11.2961 -0.4182 -0.4033 -0.2721 -0.2462 -0.1135 -0.1090 0.2299 0.2595 0.3349 0.3707 0.4528 0.5011 0.6304 0.6415 4.6711 4.6743 5.1924 5.1943 5.5584 5.5632 6.5959 6.6093 6.6296 6.6562 7.0526 7.0593 7.5216 7.5276 7.7167 7.7270 k = 0.2228-0.5348-0.9774 ( 7998 PWs) bands (ev): -37.5270 -37.5270 -35.6423 -35.6423 -35.5642 -35.5642 -18.7815 -18.7812 -18.4148 -18.4145 -18.3900 -18.3898 -16.9235 -16.9229 -16.8292 -16.8290 -16.5615 -16.5605 -16.4996 -16.4992 -16.4473 -16.4466 -16.4223 -16.4221 -11.4125 -11.4122 -11.2946 -11.2939 -0.4267 -0.4118 -0.2668 -0.2351 -0.0991 -0.0940 0.2118 0.2462 0.3242 0.3605 0.4408 0.4866 0.6166 0.6266 4.6418 4.6448 5.2230 5.2249 5.5090 5.5138 6.6063 6.6189 6.6409 6.6665 7.1098 7.1159 7.5308 7.5374 7.7319 7.7437 k = 0.2300-0.5520-1.0089 ( 8000 PWs) bands (ev): -37.5269 -37.5269 -35.6423 -35.6423 -35.5642 -35.5642 -18.7818 -18.7815 -18.4153 -18.4150 -18.3900 -18.3898 -16.9235 -16.9230 -16.8295 -16.8293 -16.5617 -16.5607 -16.5001 -16.4997 -16.4474 -16.4467 -16.4228 -16.4225 -11.4099 -11.4096 -11.2925 -11.2917 -0.4334 -0.4189 -0.2642 -0.2290 -0.0824 -0.0733 0.1932 0.2320 0.3127 0.3508 0.4294 0.4736 0.6031 0.6121 4.6164 4.6193 5.2527 5.2546 5.4589 5.4638 6.6182 6.6297 6.6537 6.6779 7.1631 7.1688 7.5403 7.5479 7.7459 7.7577 k = 0.2372-0.5693-1.0405 ( 8012 PWs) bands (ev): -37.5269 -37.5269 -35.6423 -35.6423 -35.5641 -35.5641 -18.7821 -18.7818 -18.4159 -18.4155 -18.3900 -18.3899 -16.9236 -16.9231 -16.8297 -16.8295 -16.5618 -16.5608 -16.5006 -16.5002 -16.4474 -16.4468 -16.4233 -16.4230 -11.4075 -11.4072 -11.2905 -11.2897 -0.4382 -0.4242 -0.2631 -0.2260 -0.0629 -0.0511 0.1744 0.2170 0.3001 0.3414 0.4185 0.4625 0.5901 0.5980 4.5953 4.5980 5.2811 5.2831 5.4083 5.4132 6.6315 6.6415 6.6683 6.6906 7.2116 7.2169 7.5504 7.5592 7.7604 7.7717 k = 0.2444-0.5865-1.0720 ( 8018 PWs) bands (ev): -37.5269 -37.5269 -35.6422 -35.6422 -35.5641 -35.5641 -18.7823 -18.7820 -18.4163 -18.4159 -18.3901 -18.3899 -16.9237 -16.9232 -16.8300 -16.8297 -16.5619 -16.5610 -16.5011 -16.5006 -16.4475 -16.4469 -16.4237 -16.4235 -11.4052 -11.4049 -11.2886 -11.2878 -0.4410 -0.4276 -0.2630 -0.2246 -0.0426 -0.0285 0.1555 0.2014 0.2868 0.3318 0.4084 0.4535 0.5775 0.5844 4.5785 4.5810 5.3074 5.3098 5.3579 5.3630 6.6461 6.6543 6.6847 6.7048 7.2539 7.2589 7.5611 7.5714 7.7748 7.7845 k = 0.2516-0.6038-1.1035 ( 8012 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7822 -18.4167 -18.4163 -18.3901 -18.3899 -16.9238 -16.9233 -16.8301 -16.8299 -16.5620 -16.5611 -16.5015 -16.5010 -16.4475 -16.4469 -16.4242 -16.4239 -11.4032 -11.4029 -11.2869 -11.2860 -0.4418 -0.4291 -0.2633 -0.2237 -0.0232 -0.0066 0.1370 0.1856 0.2730 0.3215 0.3995 0.4465 0.5654 0.5714 4.5662 4.5685 5.3041 5.3077 5.3371 5.3384 6.6620 6.6682 6.7029 6.7205 7.2887 7.2936 7.5724 7.5841 7.7828 7.7870 k = 0.2588-0.6210-1.1350 ( 8010 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5640 -35.5640 -18.7827 -18.7824 -18.4171 -18.4166 -18.3901 -18.3899 -16.9238 -16.9233 -16.8303 -16.8301 -16.5620 -16.5612 -16.5019 -16.5014 -16.4475 -16.4470 -16.4245 -16.4243 -11.4014 -11.4011 -11.2853 -11.2843 -0.4406 -0.4286 -0.2639 -0.2227 -0.0063 0.0141 0.1194 0.1697 0.2591 0.3104 0.3922 0.4414 0.5538 0.5590 4.5585 4.5606 5.2542 5.2584 5.3597 5.3606 6.6788 6.6835 6.7230 6.7378 7.3143 7.3192 7.5840 7.5969 7.7781 7.7810 k = 0.2660-0.6383-1.1666 ( 8020 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5640 -35.5640 -18.7829 -18.7826 -18.4174 -18.4169 -18.3901 -18.3900 -16.9239 -16.9234 -16.8305 -16.8302 -16.5621 -16.5613 -16.5022 -16.5017 -16.4474 -16.4470 -16.4249 -16.4247 -11.3998 -11.3994 -11.2838 -11.2828 -0.4374 -0.4260 -0.2647 -0.2214 0.0064 0.0331 0.1040 0.1543 0.2458 0.2984 0.3865 0.4379 0.5428 0.5475 4.5555 4.5574 5.2036 5.2077 5.3814 5.3824 6.6962 6.7005 6.7448 6.7569 7.3290 7.3340 7.5956 7.6091 7.7710 7.7744 k = 0.2731-0.6555-1.1981 ( 8012 PWs) bands (ev): -37.5268 -37.5268 -35.6421 -35.6421 -35.5640 -35.5640 -18.7831 -18.7828 -18.4177 -18.4172 -18.3902 -18.3900 -16.9240 -16.9235 -16.8306 -16.8304 -16.5621 -16.5614 -16.5025 -16.5020 -16.4474 -16.4471 -16.4252 -16.4250 -11.3983 -11.3980 -11.2825 -11.2815 -0.4323 -0.4216 -0.2658 -0.2197 0.0125 0.0497 0.0926 0.1398 0.2333 0.2860 0.3824 0.4359 0.5321 0.5370 4.5572 4.5590 5.1532 5.1573 5.4012 5.4021 6.7140 6.7195 6.7682 6.7776 7.3315 7.3366 7.6070 7.6203 7.7665 7.7710 k = 0.2803-0.6728-1.2296 ( 8004 PWs) bands (ev): -37.5268 -37.5268 -35.6421 -35.6421 -35.5640 -35.5640 -18.7832 -18.7829 -18.4179 -18.4174 -18.3902 -18.3900 -16.9240 -16.9235 -16.8308 -16.8305 -16.5622 -16.5614 -16.5028 -16.5023 -16.4474 -16.4471 -16.4255 -16.4253 -11.3971 -11.3967 -11.2813 -11.2803 -0.4253 -0.4155 -0.2673 -0.2176 0.0102 0.0628 0.0869 0.1273 0.2222 0.2739 0.3797 0.4350 0.5219 0.5276 4.5638 4.5653 5.1034 5.1073 5.4189 5.4196 6.7325 6.7401 6.7932 6.8001 7.3212 7.3263 7.6182 7.6306 7.7668 7.7724 k = 0.2875-0.6900-1.2612 ( 7996 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5640 -35.5640 -18.7833 -18.7830 -18.4181 -18.4176 -18.3902 -18.3901 -16.9240 -16.9236 -16.8309 -16.8306 -16.5622 -16.5615 -16.5030 -16.5025 -16.4474 -16.4471 -16.4258 -16.4255 -11.3960 -11.3957 -11.2803 -11.2792 -0.4167 -0.4077 -0.2694 -0.2154 0.0010 0.0698 0.0860 0.1188 0.2129 0.2626 0.3780 0.4353 0.5123 0.5193 4.5751 4.5764 5.0543 5.0580 5.4342 5.4348 6.7520 6.7619 6.8196 6.8241 7.2987 7.3039 7.6298 7.6412 7.7715 7.7779 k = 0.2947-0.7073-1.2927 ( 7982 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5640 -35.5640 -18.7834 -18.7831 -18.4182 -18.4177 -18.3902 -18.3901 -16.9240 -16.9236 -16.8309 -16.8306 -16.5622 -16.5615 -16.5032 -16.5027 -16.4473 -16.4471 -16.4260 -16.4257 -11.3951 -11.3948 -11.2794 -11.2784 -0.4067 -0.3987 -0.2723 -0.2132 -0.0117 0.0680 0.0879 0.1163 0.2054 0.2529 0.3770 0.4366 0.5033 0.5122 4.5911 4.5923 5.0060 5.0096 5.4471 5.4476 6.7723 6.7847 6.8472 6.8495 7.2659 7.2713 7.6423 7.6527 7.7789 7.7855 k = 0.3019-0.7245-1.3242 ( 7978 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7835 -18.7831 -18.4184 -18.4179 -18.3903 -18.3901 -16.9241 -16.9236 -16.8310 -16.8307 -16.5622 -16.5615 -16.5034 -16.5028 -16.4473 -16.4471 -16.4262 -16.4259 -11.3944 -11.3941 -11.2787 -11.2777 -0.3958 -0.3887 -0.2762 -0.2114 -0.0253 0.0602 0.0892 0.1186 0.1997 0.2452 0.3765 0.4387 0.4950 0.5061 4.6117 4.6127 4.9588 4.9623 5.4575 5.4579 6.7934 6.8084 6.8757 6.8761 7.2251 7.2309 7.6557 7.6655 7.7870 7.7929 k = 0.3091-0.7418-1.3557 ( 7974 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7835 -18.7832 -18.4185 -18.4179 -18.3903 -18.3901 -16.9241 -16.9236 -16.8311 -16.8308 -16.5622 -16.5616 -16.5035 -16.5029 -16.4473 -16.4471 -16.4263 -16.4260 -11.3939 -11.3935 -11.2782 -11.2771 -0.3847 -0.3781 -0.2811 -0.2103 -0.0380 0.0499 0.0900 0.1222 0.1958 0.2399 0.3763 0.4415 0.4875 0.5013 4.6364 4.6374 4.9129 4.9165 5.4655 5.4657 6.8148 6.8327 6.9034 6.9053 7.1788 7.1852 7.6700 7.6793 7.7938 7.7983 k = 0.3163-0.7591-1.3873 ( 7968 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7836 -18.7832 -18.4185 -18.4180 -18.3903 -18.3902 -16.9241 -16.9236 -16.8311 -16.8308 -16.5622 -16.5616 -16.5036 -16.5030 -16.4472 -16.4471 -16.4264 -16.4261 -11.3935 -11.3931 -11.2778 -11.2767 -0.3745 -0.3673 -0.2867 -0.2100 -0.0486 0.0392 0.0910 0.1248 0.1935 0.2367 0.3762 0.4447 0.4810 0.4976 4.6647 4.6657 4.8690 4.8727 5.4710 5.4712 6.8357 6.8571 6.9310 6.9352 7.1296 7.1367 7.6847 7.6937 7.7976 7.8007 k = 0.3235-0.7763-1.4188 ( 7962 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7836 -18.7833 -18.4186 -18.4180 -18.3903 -18.3902 -16.9241 -16.9237 -16.8311 -16.8308 -16.5622 -16.5616 -16.5037 -16.5031 -16.4472 -16.4471 -16.4265 -16.4262 -11.3932 -11.3928 -11.2776 -11.2764 -0.3664 -0.3574 -0.2924 -0.2105 -0.0563 0.0290 0.0930 0.1259 0.1932 0.2352 0.3760 0.4479 0.4757 0.4952 4.6946 4.6959 4.8289 4.8329 5.4741 5.4744 6.8545 6.8804 6.9568 6.9648 7.0813 7.0889 7.6993 7.7082 7.7979 7.7998 k = 0.3306-0.7936-1.4503 ( 7962 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7836 -18.7833 -18.4186 -18.4180 -18.3903 -18.3902 -16.9241 -16.9237 -16.8311 -16.8308 -16.5623 -16.5616 -16.5037 -16.5031 -16.4472 -16.4471 -16.4265 -16.4262 -11.3931 -11.3927 -11.2774 -11.2763 -0.3615 -0.3508 -0.2962 -0.2118 -0.0604 0.0200 0.0965 0.1257 0.1947 0.2351 0.3758 0.4507 0.4719 0.4940 4.7176 4.7195 4.8009 4.8056 5.4749 5.4753 6.8675 6.8992 6.9731 6.9907 7.0450 7.0502 7.7133 7.7221 7.7945 7.7961 k = 0.3378-0.8108-1.4819 ( 7968 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7836 -18.7833 -18.4186 -18.4180 -18.3903 -18.3902 -16.9241 -16.9237 -16.8311 -16.8308 -16.5622 -16.5616 -16.5037 -16.5031 -16.4472 -16.4471 -16.4265 -16.4262 -11.3931 -11.3928 -11.2775 -11.2763 -0.3605 -0.3505 -0.2958 -0.2136 -0.0604 0.0130 0.1015 0.1247 0.1979 0.2362 0.3754 0.4522 0.4703 0.4940 4.7105 4.7116 4.8097 4.8135 5.4736 5.4742 6.8656 6.8981 6.9711 6.9954 7.0430 7.0492 7.7261 7.7347 7.7885 7.7904 k = 0.6622-0.7108-1.4226 ( 7968 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7836 -18.7833 -18.4186 -18.4180 -18.3903 -18.3902 -16.9241 -16.9237 -16.8311 -16.8308 -16.5622 -16.5616 -16.5037 -16.5031 -16.4472 -16.4471 -16.4265 -16.4262 -11.3931 -11.3928 -11.2775 -11.2763 -0.3605 -0.3505 -0.2958 -0.2136 -0.0604 0.0130 0.1015 0.1247 0.1979 0.2362 0.3754 0.4522 0.4703 0.4940 4.7105 4.7116 4.8097 4.8135 5.4736 5.4742 6.8656 6.8981 6.9711 6.9954 7.0430 7.0492 7.7261 7.7347 7.7885 7.7904 k = 0.6551-0.6756-1.4226 ( 7976 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7836 -18.7833 -18.4186 -18.4180 -18.3903 -18.3902 -16.9241 -16.9237 -16.8311 -16.8308 -16.5623 -16.5616 -16.5037 -16.5031 -16.4472 -16.4471 -16.4265 -16.4262 -11.3933 -11.3929 -11.2776 -11.2765 -0.3639 -0.3565 -0.2916 -0.2159 -0.0562 0.0086 0.1076 0.1237 0.2022 0.2385 0.3750 0.4521 0.4711 0.4951 4.6804 4.6808 4.8465 4.8494 5.4703 5.4711 6.8404 6.8627 6.9806 6.9928 7.0678 7.0729 7.7362 7.7445 7.7817 7.7839 k = 0.6481-0.6403-1.4226 ( 7980 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7836 -18.7832 -18.4185 -18.4180 -18.3903 -18.3902 -16.9241 -16.9237 -16.8311 -16.8308 -16.5622 -16.5616 -16.5036 -16.5030 -16.4473 -16.4472 -16.4264 -16.4261 -11.3935 -11.3931 -11.2778 -11.2767 -0.3719 -0.3661 -0.2862 -0.2190 -0.0479 0.0073 0.1133 0.1242 0.2074 0.2425 0.3746 0.4511 0.4735 0.4974 4.6450 4.6453 4.8928 4.8954 5.4654 5.4663 6.7972 6.8116 6.9988 7.0028 7.0970 7.1017 7.7425 7.7498 7.7762 7.7783 k = 0.6410-0.6050-1.4226 ( 7982 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7835 -18.7832 -18.4185 -18.4180 -18.3903 -18.3901 -16.9241 -16.9236 -16.8311 -16.8308 -16.5622 -16.5616 -16.5035 -16.5030 -16.4473 -16.4472 -16.4263 -16.4260 -11.3938 -11.3935 -11.2781 -11.2770 -0.3838 -0.3775 -0.2818 -0.2233 -0.0358 0.0094 0.1149 0.1299 0.2129 0.2484 0.3744 0.4501 0.4766 0.5008 4.6091 4.6095 4.9440 4.9465 5.4588 5.4599 6.7459 6.7561 7.0161 7.0211 7.1268 7.1316 7.7434 7.7489 7.7729 7.7758 k = 0.6340-0.5698-1.4226 ( 7984 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5639 -35.5639 -18.7835 -18.7832 -18.4184 -18.4179 -18.3902 -18.3901 -16.9240 -16.9236 -16.8310 -16.8308 -16.5622 -16.5616 -16.5034 -16.5029 -16.4473 -16.4472 -16.4262 -16.4259 -11.3942 -11.3939 -11.2785 -11.2775 -0.3979 -0.3905 -0.2794 -0.2291 -0.0208 0.0150 0.1134 0.1396 0.2185 0.2566 0.3744 0.4496 0.4800 0.5052 4.5739 4.5743 4.9987 5.0012 5.4509 5.4521 6.6913 6.6991 7.0328 7.0403 7.1566 7.1615 7.7400 7.7443 7.7695 7.7737 k = 0.6269-0.5345-1.4226 ( 7984 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5640 -35.5640 -18.7834 -18.7831 -18.4184 -18.4179 -18.3902 -18.3900 -16.9240 -16.9236 -16.8310 -16.8307 -16.5622 -16.5616 -16.5033 -16.5027 -16.4473 -16.4472 -16.4260 -16.4257 -11.3947 -11.3944 -11.2790 -11.2779 -0.4131 -0.4049 -0.2795 -0.2363 -0.0043 0.0241 0.1109 0.1511 0.2242 0.2670 0.3748 0.4498 0.4835 0.5106 4.5399 4.5403 5.0563 5.0588 5.4418 5.4430 6.6353 6.6417 7.0485 7.0577 7.1856 7.1906 7.7354 7.7393 7.7625 7.7668 k = 0.6199-0.4993-1.4226 ( 7986 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5640 -35.5640 -18.7834 -18.7831 -18.4183 -18.4178 -18.3901 -18.3900 -16.9240 -16.9236 -16.8309 -16.8307 -16.5622 -16.5616 -16.5032 -16.5026 -16.4474 -16.4473 -16.4258 -16.4255 -11.3953 -11.3949 -11.2795 -11.2785 -0.4288 -0.4202 -0.2819 -0.2448 0.0117 0.0370 0.1081 0.1637 0.2302 0.2789 0.3758 0.4509 0.4874 0.5169 4.5072 4.5076 5.1162 5.1187 5.4317 5.4330 6.5791 6.5844 7.0622 7.0724 7.2133 7.2184 7.7308 7.7345 7.7490 7.7529 k = 0.6128-0.4640-1.4226 ( 7988 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5640 -35.5640 -18.7833 -18.7830 -18.4182 -18.4178 -18.3900 -18.3899 -16.9240 -16.9236 -16.8309 -16.8306 -16.5622 -16.5616 -16.5030 -16.5025 -16.4474 -16.4473 -16.4256 -16.4254 -11.3959 -11.3955 -11.2801 -11.2791 -0.4447 -0.4359 -0.2862 -0.2542 0.0252 0.0535 0.1052 0.1776 0.2366 0.2918 0.3776 0.4532 0.4917 0.5239 4.4760 4.4763 5.1779 5.1804 5.4209 5.4222 6.5231 6.5277 7.0733 7.0840 7.2392 7.2440 7.7184 7.7219 7.7362 7.7414 k = 0.6058-0.4288-1.4226 ( 7992 PWs) bands (ev): -37.5267 -37.5267 -35.6421 -35.6421 -35.5640 -35.5640 -18.7833 -18.7830 -18.4182 -18.4177 -18.3900 -18.3898 -16.9239 -16.9236 -16.8308 -16.8306 -16.5622 -16.5616 -16.5028 -16.5023 -16.4475 -16.4474 -16.4254 -16.4251 -11.3965 -11.3962 -11.2807 -11.2797 -0.4603 -0.4518 -0.2920 -0.2642 0.0358 0.0716 0.1033 0.1928 0.2433 0.3049 0.3805 0.4565 0.4968 0.5317 4.4462 4.4467 5.2407 5.2434 5.4097 5.4109 6.4678 6.4718 7.0812 7.0919 7.2622 7.2668 7.6902 7.6948 7.7360 7.7414 k = 0.5987-0.3935-1.4226 ( 7986 PWs) bands (ev): -37.5268 -37.5268 -35.6421 -35.6421 -35.5640 -35.5640 -18.7832 -18.7829 -18.4181 -18.4177 -18.3899 -18.3897 -16.9239 -16.9236 -16.8308 -16.8305 -16.5622 -16.5616 -16.5026 -16.5022 -16.4475 -16.4474 -16.4252 -16.4249 -11.3972 -11.3969 -11.2813 -11.2803 -0.4756 -0.4675 -0.2988 -0.2746 0.0439 0.0853 0.1067 0.2090 0.2502 0.3175 0.3848 0.4611 0.5027 0.5403 4.4181 4.4187 5.3036 5.3068 5.3986 5.4000 6.4135 6.4170 7.0857 7.0962 7.2815 7.2856 7.6590 7.6648 7.7406 7.7462 k = 0.5917-0.3583-1.4226 ( 7988 PWs) bands (ev): -37.5268 -37.5268 -35.6421 -35.6421 -35.5640 -35.5640 -18.7831 -18.7829 -18.4180 -18.4176 -18.3897 -18.3896 -16.9239 -16.9235 -16.8307 -16.8305 -16.5622 -16.5616 -16.5025 -16.5020 -16.4475 -16.4475 -16.4249 -16.4247 -11.3979 -11.3976 -11.2819 -11.2810 -0.4904 -0.4828 -0.3062 -0.2851 0.0498 0.0873 0.1215 0.2260 0.2569 0.3290 0.3907 0.4668 0.5098 0.5495 4.3917 4.3923 5.3588 5.3671 5.3903 5.3975 6.3606 6.3636 7.0867 7.0967 7.2957 7.2991 7.6309 7.6371 7.7484 7.7542 k = 0.5846-0.3230-1.4226 ( 7986 PWs) bands (ev): -37.5268 -37.5268 -35.6421 -35.6421 -35.5640 -35.5640 -18.7831 -18.7828 -18.4179 -18.4176 -18.3896 -18.3895 -16.9238 -16.9235 -16.8306 -16.8304 -16.5622 -16.5616 -16.5023 -16.5018 -16.4476 -16.4475 -16.4247 -16.4244 -11.3985 -11.3983 -11.2825 -11.2817 -0.5046 -0.4975 -0.3138 -0.2954 0.0537 0.0848 0.1401 0.2427 0.2634 0.3389 0.3985 0.4735 0.5184 0.5594 4.3670 4.3677 5.3665 5.3719 5.4372 5.4422 6.3095 6.3119 7.0843 7.0936 7.3035 7.3059 7.6092 7.6153 7.7589 7.7648 k = 0.5776-0.2878-1.4226 ( 7988 PWs) bands (ev): -37.5268 -37.5268 -35.6421 -35.6421 -35.5640 -35.5640 -18.7830 -18.7828 -18.4179 -18.4175 -18.3895 -18.3894 -16.9238 -16.9235 -16.8306 -16.8304 -16.5621 -16.5616 -16.5021 -16.5017 -16.4476 -16.4476 -16.4244 -16.4242 -11.3992 -11.3989 -11.2831 -11.2823 -0.5180 -0.5115 -0.3216 -0.3054 0.0561 0.0813 0.1584 0.2577 0.2704 0.3470 0.4082 0.4809 0.5286 0.5698 4.3440 4.3448 5.3568 5.3605 5.4998 5.5035 6.2605 6.2625 7.0786 7.0873 7.3044 7.3054 7.5956 7.6012 7.7716 7.7775 k = 0.5705-0.2525-1.4226 ( 7998 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5640 -35.5640 -18.7829 -18.7827 -18.4178 -18.4175 -18.3894 -18.3893 -16.9238 -16.9235 -16.8305 -16.8303 -16.5621 -16.5617 -16.5019 -16.5015 -16.4477 -16.4476 -16.4242 -16.4240 -11.3999 -11.3996 -11.2836 -11.2829 -0.5305 -0.5246 -0.3291 -0.3150 0.0573 0.0776 0.1754 0.2671 0.2810 0.3534 0.4196 0.4886 0.5404 0.5806 4.3229 4.3237 5.3458 5.3489 5.5616 5.5649 6.2140 6.2156 7.0701 7.0781 7.2983 7.2987 7.5901 7.5951 7.7859 7.7914 k = 0.5635-0.2173-1.4226 ( 7996 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5640 -35.5640 -18.7829 -18.7827 -18.4178 -18.4175 -18.3893 -18.3892 -16.9238 -16.9235 -16.8305 -16.8303 -16.5621 -16.5617 -16.5017 -16.5014 -16.4477 -16.4477 -16.4240 -16.4238 -11.4005 -11.4003 -11.2842 -11.2835 -0.5420 -0.5367 -0.3362 -0.3240 0.0576 0.0739 0.1908 0.2716 0.2940 0.3582 0.4325 0.4963 0.5535 0.5915 4.3036 4.3045 5.3350 5.3377 5.6211 5.6243 6.1706 6.1718 7.0592 7.0667 7.2864 7.2882 7.5910 7.5954 7.8009 7.8049 k = 0.5564-0.1820-1.4226 ( 7994 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5640 -35.5640 -18.7828 -18.7826 -18.4177 -18.4175 -18.3892 -18.3891 -16.9237 -16.9235 -16.8304 -16.8302 -16.5621 -16.5617 -16.5016 -16.5013 -16.4478 -16.4477 -16.4237 -16.4236 -11.4011 -11.4009 -11.2847 -11.2841 -0.5525 -0.5478 -0.3429 -0.3323 0.0573 0.0705 0.2045 0.2741 0.3064 0.3617 0.4462 0.5037 0.5674 0.6022 4.2863 4.2871 5.3246 5.3271 5.6775 5.6807 6.1308 6.1319 7.0467 7.0537 7.2718 7.2748 7.5962 7.6000 7.8075 7.8149 k = 0.5494-0.1468-1.4226 ( 7984 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5640 -35.5640 -18.7827 -18.7826 -18.4177 -18.4174 -18.3891 -18.3890 -16.9237 -16.9235 -16.8303 -16.8302 -16.5621 -16.5618 -16.5014 -16.5011 -16.4478 -16.4477 -16.4235 -16.4234 -11.4016 -11.4015 -11.2851 -11.2846 -0.5618 -0.5578 -0.3489 -0.3399 0.0567 0.0672 0.2166 0.2754 0.3173 0.3640 0.4603 0.5107 0.5816 0.6125 4.2709 4.2717 5.3151 5.3172 5.7297 5.7330 6.0950 6.0964 7.0332 7.0397 7.2564 7.2603 7.6036 7.6069 7.7996 7.8035 k = 0.5423-0.1115-1.4226 ( 7984 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7827 -18.7825 -18.4176 -18.4174 -18.3890 -18.3889 -16.9237 -16.9235 -16.8303 -16.8302 -16.5621 -16.5618 -16.5013 -16.5010 -16.4478 -16.4478 -16.4233 -16.4232 -11.4021 -11.4020 -11.2855 -11.2851 -0.5700 -0.5666 -0.3542 -0.3466 0.0559 0.0642 0.2270 0.2759 0.3268 0.3654 0.4741 0.5171 0.5954 0.6221 4.2575 4.2582 5.3065 5.3084 5.7764 5.7799 6.0640 6.0661 7.0197 7.0257 7.2416 7.2459 7.6115 7.6143 7.7908 7.7939 k = 0.5353-0.0763-1.4226 ( 7980 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7826 -18.7825 -18.4176 -18.4174 -18.3889 -18.3888 -16.9236 -16.9235 -16.8302 -16.8301 -16.5621 -16.5618 -16.5011 -16.5009 -16.4478 -16.4478 -16.4232 -16.4231 -11.4025 -11.4024 -11.2859 -11.2855 -0.5770 -0.5741 -0.3588 -0.3525 0.0551 0.0616 0.2360 0.2756 0.3348 0.3660 0.4870 0.5225 0.6083 0.6305 4.2461 4.2468 5.2990 5.3006 5.8162 5.8200 6.0389 6.0418 7.0069 7.0122 7.2280 7.2324 7.6190 7.6212 7.7830 7.7857 k = 0.5282-0.0410-1.4226 ( 7986 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7826 -18.7825 -18.4176 -18.4174 -18.3888 -18.3887 -16.9236 -16.9235 -16.8302 -16.8301 -16.5620 -16.5618 -16.5010 -16.5009 -16.4479 -16.4478 -16.4231 -16.4230 -11.4029 -11.4028 -11.2862 -11.2859 -0.5827 -0.5804 -0.3624 -0.3575 0.0544 0.0593 0.2438 0.2746 0.3415 0.3658 0.4988 0.5268 0.6199 0.6376 4.2367 4.2373 5.2927 5.2940 5.8474 5.8515 6.0208 6.0244 6.9955 7.0000 7.2164 7.2204 7.6252 7.6270 7.7768 7.7791 k = 0.5212-0.0058-1.4226 ( 7986 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7826 -18.7825 -18.4175 -18.4174 -18.3887 -18.3887 -16.9236 -16.9235 -16.8302 -16.8301 -16.5620 -16.5619 -16.5009 -16.5008 -16.4479 -16.4479 -16.4229 -16.4229 -11.4032 -11.4031 -11.2864 -11.2861 -0.5871 -0.5854 -0.3652 -0.3616 0.0538 0.0573 0.2504 0.2730 0.3472 0.3651 0.5089 0.5297 0.6298 0.6430 4.2294 4.2299 5.2878 5.2887 5.8689 5.8729 6.0108 6.0144 6.9861 6.9897 7.2070 7.2103 7.6300 7.6313 7.7723 7.7743 k = 0.5141 0.0295-1.4226 ( 7974 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4175 -18.4174 -18.3887 -18.3886 -16.9236 -16.9235 -16.8301 -16.8301 -16.5620 -16.5619 -16.5008 -16.5008 -16.4479 -16.4479 -16.4228 -16.4228 -11.4034 -11.4033 -11.2865 -11.2864 -0.5902 -0.5891 -0.3670 -0.3646 0.0535 0.0558 0.2560 0.2709 0.3520 0.3637 0.5173 0.5310 0.6376 0.6464 4.2243 4.2246 5.2842 5.2849 5.8812 5.8844 6.0079 6.0109 6.9793 6.9818 7.2002 7.2026 7.6333 7.6342 7.7697 7.7712 k = 0.5071 0.0647-1.4226 ( 7968 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4175 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5620 -16.5619 -16.5008 -16.5007 -16.4479 -16.4479 -16.4228 -16.4228 -11.4035 -11.4035 -11.2866 -11.2865 -0.5919 -0.5914 -0.3679 -0.3667 0.0535 0.0547 0.2608 0.2681 0.3559 0.3617 0.5237 0.5305 0.6433 0.6477 4.2212 4.2213 5.2821 5.2825 5.8870 5.8887 6.0090 6.0107 6.9753 6.9766 7.1962 7.1975 7.6353 7.6357 7.7686 7.7694 k = 0.5000 0.1000-1.4226 ( 7954 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4174 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5619 -16.5619 -16.5007 -16.5007 -16.4479 -16.4479 -16.4227 -16.4227 -11.4035 -11.4035 -11.2866 -11.2866 -0.5923 -0.5923 -0.3678 -0.3678 0.0539 0.0539 0.2648 0.2648 0.3592 0.3592 0.5281 0.5281 0.6467 0.6467 4.2202 4.2202 5.2815 5.2815 5.8891 5.8891 6.0105 6.0105 6.9744 6.9744 7.1953 7.1953 7.6361 7.6361 7.7685 7.7685 k = 0.5000 0.1000-1.4226 ( 7954 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4174 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5619 -16.5619 -16.5007 -16.5007 -16.4479 -16.4479 -16.4227 -16.4227 -11.4035 -11.4035 -11.2866 -11.2866 -0.5923 -0.5923 -0.3678 -0.3678 0.0539 0.0539 0.2648 0.2648 0.3592 0.3592 0.5281 0.5281 0.6467 0.6467 4.2202 4.2202 5.2815 5.2815 5.8891 5.8891 6.0105 6.0105 6.9744 6.9744 7.1953 7.1953 7.6361 7.6361 7.7685 7.7685 k = 0.5324 0.1065-1.4107 ( 7967 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4174 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5620 -16.5619 -16.5007 -16.5007 -16.4479 -16.4479 -16.4228 -16.4227 -11.4035 -11.4035 -11.2866 -11.2866 -0.5927 -0.5926 -0.3674 -0.3672 0.0529 0.0552 0.2631 0.2664 0.3587 0.3592 0.5275 0.5288 0.6464 0.6469 4.2200 4.2202 5.2818 5.2820 5.8902 5.8903 6.0105 6.0105 6.9741 6.9749 7.1916 7.1916 7.6361 7.6371 7.7660 7.7669 k = 0.5649 0.1130-1.3989 ( 7978 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4175 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5620 -16.5619 -16.5007 -16.5007 -16.4479 -16.4479 -16.4228 -16.4227 -11.4035 -11.4035 -11.2866 -11.2866 -0.5937 -0.5934 -0.3661 -0.3657 0.0521 0.0568 0.2613 0.2680 0.3577 0.3588 0.5268 0.5294 0.6461 0.6471 4.2197 4.2200 5.2828 5.2833 5.8937 5.8939 6.0105 6.0105 6.9737 6.9753 7.1809 7.1810 7.6370 7.6389 7.7599 7.7616 k = 0.5973 0.1195-1.3870 ( 7982 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4174 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5620 -16.5619 -16.5008 -16.5007 -16.4479 -16.4479 -16.4228 -16.4227 -11.4036 -11.4036 -11.2866 -11.2866 -0.5952 -0.5948 -0.3639 -0.3633 0.0516 0.0584 0.2596 0.2694 0.3565 0.3580 0.5261 0.5300 0.6458 0.6473 4.2193 4.2196 5.2845 5.2851 5.8995 5.8997 6.0106 6.0106 6.9721 6.9750 7.1647 7.1655 7.6384 7.6412 7.7513 7.7538 k = 0.6297 0.1259-1.3752 ( 7982 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4174 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5620 -16.5619 -16.5007 -16.5007 -16.4479 -16.4479 -16.4228 -16.4227 -11.4036 -11.4036 -11.2867 -11.2867 -0.5971 -0.5966 -0.3610 -0.3602 0.0513 0.0601 0.2579 0.2707 0.3549 0.3569 0.5254 0.5306 0.6454 0.6475 4.2188 4.2192 5.2867 5.2875 5.9074 5.9078 6.0108 6.0108 6.9677 6.9722 7.1460 7.1481 7.6396 7.6432 7.7420 7.7450 k = 0.6622 0.1324-1.3633 ( 7983 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4174 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5620 -16.5619 -16.5007 -16.5007 -16.4479 -16.4478 -16.4228 -16.4227 -11.4037 -11.4037 -11.2867 -11.2867 -0.5993 -0.5987 -0.3574 -0.3565 0.0512 0.0616 0.2563 0.2717 0.3533 0.3556 0.5247 0.5313 0.6451 0.6477 4.2183 4.2188 5.2893 5.2903 5.9173 5.9177 6.0110 6.0110 6.9582 6.9646 7.1285 7.1323 7.6400 7.6440 7.7335 7.7368 k = 0.6622 0.1324-1.3633 ( 7983 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4174 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5620 -16.5619 -16.5007 -16.5007 -16.4479 -16.4478 -16.4228 -16.4227 -11.4037 -11.4037 -11.2867 -11.2867 -0.5993 -0.5987 -0.3574 -0.3565 0.0512 0.0616 0.2563 0.2717 0.3533 0.3556 0.5247 0.5313 0.6451 0.6477 4.2183 4.2188 5.2893 5.2903 5.9173 5.9177 6.0110 6.0110 6.9582 6.9646 7.1285 7.1323 7.6400 7.6440 7.7335 7.7368 k = 0.6581 0.1316-1.3277 ( 7990 PWs) bands (ev): -37.5269 -37.5269 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7824 -18.4173 -18.4173 -18.3887 -18.3886 -16.9236 -16.9235 -16.8301 -16.8300 -16.5620 -16.5618 -16.5007 -16.5006 -16.4480 -16.4478 -16.4227 -16.4227 -11.4041 -11.4041 -11.2871 -11.2871 -0.5964 -0.5951 -0.3576 -0.3570 0.0526 0.0618 0.2560 0.2678 0.3534 0.3571 0.5221 0.5334 0.6458 0.6502 4.2264 4.2269 5.2893 5.2903 5.9221 5.9226 6.0123 6.0123 6.9521 6.9578 7.1058 7.1087 7.6487 7.6524 7.7276 7.7311 k = 0.6541 0.1308-1.2922 ( 7977 PWs) bands (ev): -37.5269 -37.5269 -35.6422 -35.6422 -35.5641 -35.5641 -18.7824 -18.7823 -18.4172 -18.4171 -18.3887 -18.3887 -16.9235 -16.9234 -16.8300 -16.8300 -16.5620 -16.5617 -16.5005 -16.5005 -16.4480 -16.4477 -16.4226 -16.4225 -11.4048 -11.4047 -11.2877 -11.2876 -0.5914 -0.5894 -0.3581 -0.3561 0.0510 0.0592 0.2549 0.2637 0.3530 0.3624 0.5196 0.5357 0.6476 0.6538 4.2396 4.2401 5.2872 5.2881 5.9284 5.9289 6.0144 6.0144 6.9394 6.9439 7.0876 7.0893 7.6493 7.6521 7.7278 7.7308 k = 0.6500 0.1300-1.2566 ( 7979 PWs) bands (ev): -37.5269 -37.5269 -35.6422 -35.6422 -35.5641 -35.5641 -18.7823 -18.7822 -18.4170 -18.4169 -18.3887 -18.3887 -16.9235 -16.9233 -16.8299 -16.8299 -16.5620 -16.5616 -16.5004 -16.5003 -16.4480 -16.4476 -16.4225 -16.4224 -11.4057 -11.4056 -11.2885 -11.2884 -0.5844 -0.5816 -0.3582 -0.3549 0.0468 0.0543 0.2526 0.2594 0.3547 0.3691 0.5175 0.5384 0.6508 0.6585 4.2578 4.2583 5.2827 5.2836 5.9361 5.9365 6.0172 6.0173 6.9200 6.9231 7.0745 7.0747 7.6420 7.6434 7.7326 7.7348 k = 0.6459 0.1292-1.2211 ( 7980 PWs) bands (ev): -37.5269 -37.5269 -35.6422 -35.6422 -35.5641 -35.5641 -18.7822 -18.7820 -18.4167 -18.4167 -18.3888 -18.3887 -16.9235 -16.9233 -16.8298 -16.8298 -16.5619 -16.5615 -16.5002 -16.5001 -16.4480 -16.4475 -16.4223 -16.4222 -11.4069 -11.4068 -11.2895 -11.2894 -0.5754 -0.5719 -0.3578 -0.3534 0.0403 0.0476 0.2489 0.2550 0.3583 0.3771 0.5157 0.5414 0.6552 0.6644 4.2810 4.2814 5.2759 5.2768 5.9452 5.9456 6.0209 6.0209 6.8950 6.8969 7.0645 7.0655 7.6293 7.6296 7.7379 7.7396 k = 0.6419 0.1284-1.1855 ( 7978 PWs) bands (ev): -37.5269 -37.5269 -35.6423 -35.6423 -35.5641 -35.5641 -18.7820 -18.7819 -18.4164 -18.4163 -18.3888 -18.3888 -16.9235 -16.9232 -16.8296 -16.8296 -16.5619 -16.5613 -16.4999 -16.4999 -16.4479 -16.4474 -16.4221 -16.4220 -11.4083 -11.4082 -11.2907 -11.2906 -0.5647 -0.5604 -0.3573 -0.3518 0.0319 0.0397 0.2440 0.2505 0.3637 0.3862 0.5143 0.5448 0.6607 0.6711 4.3089 4.3093 5.2667 5.2675 5.9555 5.9559 6.0253 6.0253 6.8663 6.8672 7.0571 7.0591 7.6127 7.6131 7.7410 7.7426 k = 0.6378 0.1276-1.1499 ( 7975 PWs) bands (ev): -37.5269 -37.5269 -35.6423 -35.6423 -35.5642 -35.5642 -18.7818 -18.7817 -18.4160 -18.4159 -18.3889 -18.3888 -16.9234 -16.9231 -16.8295 -16.8295 -16.5618 -16.5611 -16.4996 -16.4996 -16.4479 -16.4473 -16.4219 -16.4217 -11.4099 -11.4098 -11.2921 -11.2920 -0.5525 -0.5473 -0.3566 -0.3503 0.0220 0.0312 0.2380 0.2462 0.3703 0.3963 0.5133 0.5487 0.6673 0.6788 4.3414 4.3418 5.2549 5.2556 5.9672 5.9675 6.0304 6.0304 6.8354 6.8356 7.0512 7.0540 7.5935 7.5943 7.7399 7.7423 k = 0.6338 0.1268-1.1144 ( 7983 PWs) bands (ev): -37.5270 -37.5270 -35.6423 -35.6423 -35.5642 -35.5642 -18.7816 -18.7815 -18.4156 -18.4155 -18.3890 -18.3889 -16.9234 -16.9230 -16.8293 -16.8293 -16.5617 -16.5610 -16.4993 -16.4992 -16.4478 -16.4472 -16.4216 -16.4214 -11.4118 -11.4117 -11.2937 -11.2936 -0.5389 -0.5330 -0.3557 -0.3492 0.0112 0.0226 0.2314 0.2422 0.3779 0.4072 0.5129 0.5531 0.6750 0.6873 4.3785 4.3788 5.2405 5.2412 5.9801 5.9804 6.0362 6.0363 6.8032 6.8035 7.0461 7.0494 7.5722 7.5732 7.7263 7.7290 k = 0.6297 0.1259-1.0788 ( 7972 PWs) bands (ev): -37.5270 -37.5270 -35.6423 -35.6423 -35.5642 -35.5642 -18.7814 -18.7812 -18.4151 -18.4150 -18.3890 -18.3889 -16.9233 -16.9229 -16.8291 -16.8290 -16.5616 -16.5608 -16.4989 -16.4988 -16.4477 -16.4470 -16.4213 -16.4211 -11.4140 -11.4138 -11.2954 -11.2953 -0.5244 -0.5180 -0.3548 -0.3486 -0.0003 0.0144 0.2246 0.2388 0.3862 0.4187 0.5129 0.5581 0.6835 0.6966 4.4198 4.4201 5.2234 5.2240 5.9943 5.9946 6.0427 6.0428 6.7707 6.7714 7.0410 7.0446 7.5487 7.5497 7.7008 7.7020 k = 0.6257 0.1251-1.0432 ( 7978 PWs) bands (ev): -37.5270 -37.5270 -35.6424 -35.6424 -35.5642 -35.5642 -18.7811 -18.7809 -18.4146 -18.4145 -18.3891 -18.3890 -16.9232 -16.9228 -16.8289 -16.8288 -16.5614 -16.5606 -16.4985 -16.4984 -16.4477 -16.4469 -16.4210 -16.4207 -11.4163 -11.4161 -11.2973 -11.2971 -0.5094 -0.5028 -0.3536 -0.3487 -0.0118 0.0074 0.2179 0.2361 0.3948 0.4307 0.5136 0.5638 0.6928 0.7064 4.4653 4.4655 5.2035 5.2040 6.0097 6.0100 6.0499 6.0499 6.7386 6.7396 7.0356 7.0394 7.5224 7.5232 7.6719 7.6731 k = 0.6216 0.1243-1.0077 ( 7985 PWs) bands (ev): -37.5271 -37.5271 -35.6424 -35.6424 -35.5643 -35.5643 -18.7809 -18.7807 -18.4141 -18.4140 -18.3892 -18.3891 -16.9231 -16.9227 -16.8286 -16.8286 -16.5613 -16.5604 -16.4980 -16.4979 -16.4476 -16.4468 -16.4206 -16.4203 -11.4189 -11.4187 -11.2993 -11.2991 -0.4945 -0.4885 -0.3517 -0.3496 -0.0230 0.0020 0.2117 0.2345 0.4037 0.4432 0.5149 0.5702 0.7028 0.7169 4.5146 4.5148 5.1808 5.1813 6.0262 6.0266 6.0577 6.0577 6.7072 6.7085 7.0296 7.0334 7.4931 7.4933 7.6416 7.6426 k = 0.6176 0.1235-0.9721 ( 7988 PWs) bands (ev): -37.5271 -37.5271 -35.6424 -35.6424 -35.5643 -35.5643 -18.7806 -18.7803 -18.4135 -18.4134 -18.3893 -18.3892 -16.9230 -16.9225 -16.8284 -16.8283 -16.5612 -16.5602 -16.4975 -16.4975 -16.4475 -16.4466 -16.4202 -16.4199 -11.4217 -11.4215 -11.3013 -11.3011 -0.4805 -0.4762 -0.3511 -0.3485 -0.0333 -0.0012 0.2063 0.2342 0.4127 0.4560 0.5169 0.5773 0.7134 0.7278 4.5677 4.5677 5.1554 5.1557 6.0438 6.0442 6.0660 6.0661 6.6767 6.6783 7.0227 7.0266 7.4595 7.4600 7.6098 7.6107 k = 0.6135 0.1227-0.9365 ( 7988 PWs) bands (ev): -37.5271 -37.5271 -35.6425 -35.6425 -35.5644 -35.5644 -18.7803 -18.7800 -18.4129 -18.4127 -18.3894 -18.3893 -16.9230 -16.9224 -16.8281 -16.8280 -16.5610 -16.5599 -16.4970 -16.4969 -16.4473 -16.4465 -16.4198 -16.4195 -11.4247 -11.4245 -11.3035 -11.3033 -0.4686 -0.4674 -0.3529 -0.3434 -0.0422 -0.0017 0.2022 0.2355 0.4218 0.4690 0.5196 0.5852 0.7245 0.7392 4.6241 4.6242 5.1272 5.1274 6.0624 6.0629 6.0749 6.0750 6.6474 6.6491 7.0150 7.0188 7.4215 7.4229 7.5770 7.5778 k = 0.6095 0.1219-0.9010 ( 7976 PWs) bands (ev): -37.5272 -37.5272 -35.6425 -35.6425 -35.5644 -35.5644 -18.7799 -18.7797 -18.4122 -18.4120 -18.3895 -18.3893 -16.9228 -16.9223 -16.8278 -16.8277 -16.5608 -16.5597 -16.4965 -16.4964 -16.4472 -16.4463 -16.4193 -16.4190 -11.4278 -11.4276 -11.3057 -11.3055 -0.4632 -0.4601 -0.3542 -0.3358 -0.0490 0.0009 0.1995 0.2387 0.4310 0.4820 0.5233 0.5938 0.7360 0.7509 4.6837 4.6838 5.0964 5.0965 6.0818 6.0819 6.0842 6.0850 6.6192 6.6211 7.0064 7.0099 7.3794 7.3817 7.5433 7.5440 k = 0.6054 0.1211-0.8654 ( 7976 PWs) bands (ev): -37.5272 -37.5272 -35.6426 -35.6426 -35.5644 -35.5644 -18.7796 -18.7793 -18.4115 -18.4113 -18.3896 -18.3894 -16.9227 -16.9222 -16.8275 -16.8274 -16.5606 -16.5595 -16.4959 -16.4958 -16.4471 -16.4462 -16.4188 -16.4185 -11.4312 -11.4310 -11.3080 -11.3078 -0.4640 -0.4565 -0.3541 -0.3264 -0.0531 0.0069 0.1986 0.2439 0.4402 0.4947 0.5282 0.6032 0.7478 0.7628 4.7463 4.7465 5.0630 5.0630 6.0937 6.0939 6.1020 6.1031 6.5922 6.5942 6.9968 7.0001 7.3335 7.3368 7.5090 7.5096 k = 0.6014 0.1203-0.8298 ( 8001 PWs) bands (ev): -37.5273 -37.5273 -35.6426 -35.6426 -35.5645 -35.5645 -18.7793 -18.7790 -18.4108 -18.4106 -18.3897 -18.3896 -16.9226 -16.9221 -16.8272 -16.8271 -16.5604 -16.5592 -16.4953 -16.4952 -16.4470 -16.4460 -16.4183 -16.4180 -11.4347 -11.4345 -11.3103 -11.3101 -0.4693 -0.4584 -0.3523 -0.3165 -0.0535 0.0165 0.1998 0.2513 0.4494 0.5063 0.5350 0.6134 0.7599 0.7750 4.8115 4.8117 5.0270 5.0271 6.1040 6.1040 6.1225 6.1237 6.5665 6.5686 6.9862 6.9891 7.2844 7.2888 7.4743 7.4749 k = 0.5973 0.1195-0.7943 ( 8000 PWs) bands (ev): -37.5273 -37.5273 -35.6427 -35.6427 -35.5645 -35.5645 -18.7789 -18.7786 -18.4100 -18.4099 -18.3898 -18.3897 -16.9225 -16.9219 -16.8268 -16.8268 -16.5602 -16.5590 -16.4947 -16.4946 -16.4468 -16.4459 -16.4177 -16.4175 -11.4383 -11.4381 -11.3126 -11.3124 -0.4783 -0.4655 -0.3493 -0.3078 -0.0495 0.0298 0.2031 0.2609 0.4587 0.5163 0.5443 0.6243 0.7721 0.7872 4.8791 4.8793 4.9890 4.9891 6.1144 6.1145 6.1431 6.1444 6.5420 6.5442 6.9748 6.9772 7.2331 7.2386 7.4395 7.4400 k = 0.5932 0.1186-0.7587 ( 7999 PWs) bands (ev): -37.5274 -37.5274 -35.6427 -35.6427 -35.5646 -35.5646 -18.7785 -18.7783 -18.4093 -18.4091 -18.3899 -18.3898 -16.9224 -16.9218 -16.8265 -16.8264 -16.5600 -16.5588 -16.4941 -16.4940 -16.4467 -16.4458 -16.4172 -16.4169 -11.4421 -11.4418 -11.3149 -11.3147 -0.4903 -0.4768 -0.3464 -0.3018 -0.0405 0.0466 0.2088 0.2727 0.4680 0.5246 0.5562 0.6359 0.7845 0.7996 4.9416 4.9438 4.9539 4.9563 6.1251 6.1251 6.1633 6.1646 6.5191 6.5214 6.9626 6.9643 7.1807 7.1873 7.4047 7.4052 k = 0.5892 0.1178-0.7231 ( 7998 PWs) bands (ev): -37.5274 -37.5274 -35.6427 -35.6427 -35.5646 -35.5646 -18.7782 -18.7779 -18.4085 -18.4083 -18.3900 -18.3899 -16.9223 -16.9217 -16.8262 -16.8261 -16.5597 -16.5585 -16.4935 -16.4934 -16.4465 -16.4456 -16.4166 -16.4164 -11.4459 -11.4457 -11.3172 -11.3170 -0.5043 -0.4910 -0.3445 -0.2992 -0.0264 0.0668 0.2167 0.2866 0.4776 0.5318 0.5701 0.6482 0.7968 0.8119 4.9054 4.9062 5.0211 5.0220 6.1359 6.1359 6.1822 6.1836 6.4979 6.5005 6.9495 6.9504 7.1283 7.1361 7.3701 7.3706 k = 0.5851 0.1170-0.6876 ( 7989 PWs) bands (ev): -37.5274 -37.5274 -35.6428 -35.6428 -35.5647 -35.5647 -18.7778 -18.7775 -18.4077 -18.4075 -18.3901 -18.3900 -16.9222 -16.9215 -16.8258 -16.8258 -16.5595 -16.5583 -16.4928 -16.4927 -16.4464 -16.4455 -16.4160 -16.4158 -11.4498 -11.4496 -11.3195 -11.3193 -0.5200 -0.5073 -0.3442 -0.3002 -0.0077 0.0900 0.2267 0.3025 0.4873 0.5385 0.5854 0.6611 0.8091 0.8242 4.8616 4.8624 5.0942 5.0951 6.1468 6.1468 6.1989 6.2002 6.4792 6.4821 6.9349 6.9353 7.0774 7.0867 7.3360 7.3364 k = 0.5811 0.1162-0.6520 ( 7986 PWs) bands (ev): -37.5275 -37.5275 -35.6428 -35.6428 -35.5647 -35.5647 -18.7774 -18.7771 -18.4069 -18.4068 -18.3902 -18.3901 -16.9220 -16.9214 -16.8255 -16.8254 -16.5593 -16.5580 -16.4921 -16.4921 -16.4463 -16.4454 -16.4154 -16.4152 -11.4538 -11.4536 -11.3217 -11.3215 -0.5368 -0.5250 -0.3457 -0.3044 0.0148 0.1155 0.2388 0.3200 0.4972 0.5453 0.6016 0.6748 0.8213 0.8364 4.8162 4.8170 5.1687 5.1696 6.1578 6.1578 6.2119 6.2128 6.4638 6.4674 6.9172 6.9192 7.0299 7.0412 7.3023 7.3027 k = 0.5770 0.1154-0.6165 ( 7988 PWs) bands (ev): -37.5275 -37.5275 -35.6429 -35.6429 -35.5648 -35.5647 -18.7770 -18.7768 -18.4061 -18.4060 -18.3903 -18.3902 -16.9219 -16.9213 -16.8252 -16.8251 -16.5590 -16.5578 -16.4915 -16.4914 -16.4461 -16.4453 -16.4148 -16.4146 -11.4578 -11.4576 -11.3239 -11.3237 -0.5544 -0.5435 -0.3491 -0.3111 0.0401 0.1428 0.2527 0.3389 0.5076 0.5523 0.6186 0.6891 0.8334 0.8484 4.7696 4.7705 5.2440 5.2450 6.1686 6.1686 6.2190 6.2195 6.4533 6.4579 6.8958 6.8993 6.9889 7.0019 7.2694 7.2698 k = 0.5730 0.1146-0.5809 ( 7986 PWs) bands (ev): -37.5276 -37.5276 -35.6429 -35.6429 -35.5648 -35.5648 -18.7767 -18.7764 -18.4053 -18.4052 -18.3904 -18.3902 -16.9218 -16.9212 -16.8248 -16.8248 -16.5588 -16.5576 -16.4908 -16.4908 -16.4460 -16.4452 -16.4142 -16.4141 -11.4618 -11.4616 -11.3260 -11.3258 -0.5724 -0.5624 -0.3540 -0.3196 0.0673 0.1711 0.2681 0.3587 0.5183 0.5598 0.6365 0.7040 0.8452 0.8602 4.7220 4.7229 5.3198 5.3210 6.1792 6.1792 6.2185 6.2188 6.4487 6.4545 6.8698 6.8737 6.9575 6.9713 7.2373 7.2377 k = 0.5689 0.1138-0.5453 ( 7989 PWs) bands (ev): -37.5276 -37.5276 -35.6430 -35.6430 -35.5648 -35.5648 -18.7763 -18.7760 -18.4045 -18.4044 -18.3905 -18.3903 -16.9217 -16.9211 -16.8245 -16.8245 -16.5585 -16.5574 -16.4902 -16.4901 -16.4458 -16.4451 -16.4136 -16.4135 -11.4657 -11.4655 -11.3280 -11.3278 -0.5905 -0.5814 -0.3603 -0.3295 0.0955 0.2000 0.2848 0.3790 0.5297 0.5677 0.6552 0.7196 0.8568 0.8717 4.6737 4.6746 5.3958 5.3970 6.1893 6.1893 6.2096 6.2107 6.4503 6.4575 6.8402 6.8430 6.9361 6.9491 7.2062 7.2065 k = 0.5649 0.1130-0.5098 ( 7991 PWs) bands (ev): -37.5277 -37.5277 -35.6430 -35.6430 -35.5649 -35.5649 -18.7760 -18.7757 -18.4038 -18.4037 -18.3906 -18.3904 -16.9215 -16.9209 -16.8242 -16.8241 -16.5583 -16.5572 -16.4896 -16.4895 -16.4457 -16.4450 -16.4130 -16.4129 -11.4696 -11.4695 -11.3300 -11.3298 -0.6085 -0.6003 -0.3677 -0.3403 0.1241 0.2286 0.3023 0.3993 0.5416 0.5763 0.6748 0.7358 0.8681 0.8828 4.6249 4.6259 5.4714 5.4728 6.1901 6.1917 6.2023 6.2025 6.4564 6.4652 6.8105 6.8113 6.9217 6.9334 7.1762 7.1765 k = 0.5608 0.1122-0.4742 ( 8000 PWs) bands (ev): -37.5277 -37.5277 -35.6431 -35.6431 -35.5649 -35.5649 -18.7756 -18.7754 -18.4031 -18.4030 -18.3907 -18.3905 -16.9214 -16.9209 -16.8239 -16.8239 -16.5581 -16.5570 -16.4890 -16.4889 -16.4456 -16.4449 -16.4125 -16.4124 -11.4735 -11.4733 -11.3319 -11.3317 -0.6262 -0.6188 -0.3758 -0.3515 0.1526 0.2564 0.3203 0.4191 0.5543 0.5854 0.6953 0.7528 0.8791 0.8936 4.5761 4.5770 5.5463 5.5478 6.1689 6.1714 6.2108 6.2108 6.4647 6.4750 6.7828 6.7840 6.9115 6.9219 7.1473 7.1476 k = 0.5568 0.1114-0.4386 ( 7995 PWs) bands (ev): -37.5278 -37.5278 -35.6431 -35.6431 -35.5650 -35.5650 -18.7753 -18.7751 -18.4023 -18.4023 -18.3908 -18.3906 -16.9213 -16.9208 -16.8236 -16.8236 -16.5578 -16.5568 -16.4884 -16.4883 -16.4454 -16.4448 -16.4119 -16.4118 -11.4772 -11.4770 -11.3337 -11.3335 -0.6434 -0.6368 -0.3845 -0.3630 0.1806 0.2830 0.3384 0.4377 0.5676 0.5953 0.7168 0.7703 0.8898 0.9041 4.5274 4.5284 5.6198 5.6215 6.1426 6.1458 6.2200 6.2201 6.4722 6.4840 6.7603 6.7632 6.9041 6.9134 7.1199 7.1201 k = 0.5527 0.1105-0.4031 ( 8006 PWs) bands (ev): -37.5278 -37.5278 -35.6431 -35.6431 -35.5650 -35.5650 -18.7750 -18.7748 -18.4017 -18.4016 -18.3909 -18.3907 -16.9212 -16.9207 -16.8233 -16.8233 -16.5576 -16.5566 -16.4878 -16.4878 -16.4453 -16.4447 -16.4114 -16.4113 -11.4808 -11.4806 -11.3354 -11.3352 -0.6600 -0.6541 -0.3933 -0.3744 0.2077 0.3081 0.3560 0.4547 0.5816 0.6057 0.7393 0.7885 0.9002 0.9142 4.4793 4.4803 5.6914 5.6934 6.1138 6.1175 6.2288 6.2289 6.4766 6.4894 6.7457 6.7501 6.8988 6.9070 7.0938 7.0941 k = 0.5486 0.1097-0.3675 ( 8012 PWs) bands (ev): -37.5278 -37.5278 -35.6432 -35.6432 -35.5650 -35.5650 -18.7747 -18.7745 -18.4010 -18.4010 -18.3910 -18.3908 -16.9211 -16.9206 -16.8231 -16.8230 -16.5574 -16.5565 -16.4873 -16.4873 -16.4452 -16.4447 -16.4109 -16.4108 -11.4842 -11.4840 -11.3370 -11.3368 -0.6758 -0.6705 -0.4022 -0.3857 0.2338 0.3314 0.3729 0.4699 0.5961 0.6166 0.7626 0.8071 0.9105 0.9240 4.4321 4.4331 5.7605 5.7630 6.0838 6.0882 6.2372 6.2373 6.4762 6.4895 6.7401 6.7454 6.8952 6.9024 7.0693 7.0695 k = 0.5446 0.1089-0.3319 ( 8021 PWs) bands (ev): -37.5279 -37.5279 -35.6432 -35.6432 -35.5651 -35.5651 -18.7744 -18.7742 -18.4004 -18.4004 -18.3910 -18.3908 -16.9210 -16.9205 -16.8228 -16.8228 -16.5572 -16.5563 -16.4868 -16.4868 -16.4451 -16.4446 -16.4104 -16.4104 -11.4874 -11.4873 -11.3384 -11.3383 -0.6907 -0.6860 -0.4110 -0.3965 0.2585 0.3528 0.3888 0.4831 0.6108 0.6277 0.7863 0.8258 0.9206 0.9335 4.3862 4.3872 5.8263 5.8296 6.0539 6.0593 6.2449 6.2450 6.4707 6.4838 6.7431 6.7487 6.8930 6.8993 7.0464 7.0466 k = 0.5405 0.1081-0.2964 ( 8016 PWs) bands (ev): -37.5279 -37.5279 -35.6433 -35.6433 -35.5651 -35.5651 -18.7742 -18.7740 -18.3999 -18.3998 -18.3911 -18.3909 -16.9209 -16.9205 -16.8226 -16.8226 -16.5570 -16.5562 -16.4863 -16.4863 -16.4450 -16.4445 -16.4099 -16.4099 -11.4905 -11.4904 -11.3398 -11.3397 -0.7046 -0.7005 -0.4194 -0.4068 0.2818 0.3719 0.4037 0.4943 0.6252 0.6388 0.8099 0.8443 0.9309 0.9429 4.3421 4.3430 5.8870 5.8923 6.0251 6.0325 6.2521 6.2522 6.4610 6.4733 6.7529 6.7583 6.8922 6.8974 7.0253 7.0255 k = 0.5365 0.1073-0.2608 ( 8022 PWs) bands (ev): -37.5280 -37.5280 -35.6433 -35.6433 -35.5651 -35.5651 -18.7739 -18.7737 -18.3994 -18.3993 -18.3911 -18.3909 -16.9208 -16.9204 -16.8224 -16.8223 -16.5569 -16.5561 -16.4859 -16.4858 -16.4449 -16.4445 -16.4095 -16.4095 -11.4933 -11.4932 -11.3410 -11.3409 -0.7175 -0.7138 -0.4274 -0.4165 0.3036 0.3883 0.4180 0.5036 0.6392 0.6497 0.8328 0.8619 0.9416 0.9522 4.3002 4.3011 5.9369 5.9474 6.0014 6.0141 6.2585 6.2587 6.4484 6.4596 6.7670 6.7720 6.8926 6.8967 7.0059 7.0062 k = 0.5324 0.1065-0.2252 ( 8027 PWs) bands (ev): -37.5280 -37.5280 -35.6433 -35.6433 -35.5652 -35.5652 -18.7737 -18.7735 -18.3989 -18.3989 -18.3911 -18.3910 -16.9208 -16.9204 -16.8222 -16.8222 -16.5567 -16.5560 -16.4855 -16.4854 -16.4448 -16.4445 -16.4091 -16.4091 -11.4959 -11.4958 -11.3422 -11.3420 -0.7291 -0.7259 -0.4348 -0.4254 0.3236 0.4017 0.4320 0.5110 0.6523 0.6600 0.8542 0.8780 0.9529 0.9619 4.2610 4.2617 5.9516 5.9601 6.0177 6.0285 6.2643 6.2644 6.4341 6.4442 6.7830 6.7878 6.8942 6.8970 6.9885 6.9887 k = 0.5284 0.1057-0.1897 ( 8033 PWs) bands (ev): -37.5280 -37.5280 -35.6433 -35.6433 -35.5652 -35.5652 -18.7735 -18.7734 -18.3985 -18.3985 -18.3912 -18.3910 -16.9207 -16.9204 -16.8220 -16.8220 -16.5565 -16.5559 -16.4851 -16.4851 -16.4448 -16.4444 -16.4088 -16.4088 -11.4982 -11.4981 -11.3432 -11.3431 -0.7395 -0.7368 -0.4415 -0.4335 0.3420 0.4119 0.4458 0.5169 0.6641 0.6695 0.8734 0.8918 0.9650 0.9719 4.2249 4.2256 5.9365 5.9398 6.0649 6.0704 6.2693 6.2695 6.4190 6.4280 6.7991 6.8038 6.8969 6.8984 6.9729 6.9732 k = 0.5243 0.1049-0.1541 ( 8033 PWs) bands (ev): -37.5280 -37.5280 -35.6434 -35.6434 -35.5652 -35.5652 -18.7733 -18.7732 -18.3981 -18.3981 -18.3912 -18.3910 -16.9206 -16.9203 -16.8219 -16.8218 -16.5564 -16.5558 -16.4848 -16.4848 -16.4447 -16.4444 -16.4085 -16.4085 -11.5002 -11.5002 -11.3440 -11.3439 -0.7486 -0.7463 -0.4474 -0.4407 0.3585 0.4193 0.4593 0.5212 0.6747 0.6782 0.8896 0.9032 0.9777 0.9824 4.1924 4.1930 5.9176 5.9190 6.1104 6.1142 6.2736 6.2739 6.4036 6.4114 6.8139 6.8186 6.9006 6.9009 6.9594 6.9597 k = 0.5203 0.1041-0.1185 ( 8034 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5652 -35.5652 -18.7732 -18.7731 -18.3978 -18.3978 -18.3912 -18.3911 -16.9205 -16.9203 -16.8217 -16.8217 -16.5562 -16.5558 -16.4845 -16.4845 -16.4446 -16.4444 -16.4082 -16.4082 -11.5020 -11.5019 -11.3448 -11.3447 -0.7564 -0.7545 -0.4524 -0.4470 0.3733 0.4242 0.4720 0.5240 0.6837 0.6857 0.9026 0.9120 0.9904 0.9932 4.1640 4.1645 5.8999 5.9006 6.1516 6.1547 6.2773 6.2776 6.3881 6.3948 6.8265 6.8311 6.9045 6.9052 6.9480 6.9482 k = 0.5162 0.1032-0.0830 ( 8031 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7731 -18.7730 -18.3975 -18.3975 -18.3912 -18.3911 -16.9205 -16.9203 -16.8216 -16.8216 -16.5561 -16.5558 -16.4843 -16.4843 -16.4445 -16.4444 -16.4080 -16.4080 -11.5034 -11.5034 -11.3454 -11.3453 -0.7628 -0.7613 -0.4565 -0.4523 0.3862 0.4270 0.4836 0.5253 0.6910 0.6921 0.9125 0.9186 1.0021 1.0035 4.1400 4.1405 5.8849 5.8852 6.1883 6.1911 6.2803 6.2807 6.3724 6.3782 6.8364 6.8407 6.9089 6.9102 6.9387 6.9389 k = 0.5122 0.1024-0.0474 ( 8027 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7729 -18.7729 -18.3973 -18.3973 -18.3912 -18.3911 -16.9204 -16.9203 -16.8215 -16.8215 -16.5560 -16.5557 -16.4841 -16.4841 -16.4445 -16.4444 -16.4078 -16.4078 -11.5046 -11.5045 -11.3458 -11.3458 -0.7677 -0.7666 -0.4597 -0.4565 0.3974 0.4280 0.4939 0.5252 0.6968 0.6972 0.9196 0.9234 1.0122 1.0127 4.1210 4.1214 5.8729 5.8730 6.2203 6.2231 6.2826 6.2832 6.3566 6.3615 6.8438 6.8473 6.9136 6.9150 6.9314 6.9317 k = 0.5081 0.1016-0.0119 ( 8030 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7729 -18.7728 -18.3972 -18.3972 -18.3912 -18.3911 -16.9204 -16.9203 -16.8215 -16.8215 -16.5559 -16.5557 -16.4840 -16.4840 -16.4444 -16.4444 -16.4077 -16.4077 -11.5054 -11.5054 -11.3462 -11.3461 -0.7712 -0.7705 -0.4618 -0.4598 0.4068 0.4271 0.5029 0.5237 0.7009 0.7010 0.9244 0.9265 1.0198 1.0200 4.1072 4.1075 5.8642 5.8642 6.2478 6.2507 6.2845 6.2853 6.3406 6.3445 6.8488 6.8514 6.9177 6.9188 6.9263 6.9267 k = 0.5041 0.1008 0.0237 ( 8043 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3912 -18.3911 -16.9204 -16.9203 -16.8215 -16.8214 -16.5559 -16.5558 -16.4839 -16.4839 -16.4444 -16.4444 -16.4077 -16.4077 -11.5059 -11.5059 -11.3464 -11.3464 -0.7732 -0.7729 -0.4629 -0.4619 0.4144 0.4246 0.5103 0.5207 0.7033 0.7033 0.9272 0.9282 1.0245 1.0246 4.0989 4.0990 5.8589 5.8589 6.2692 6.2721 6.2871 6.2879 6.3249 6.3277 6.8520 6.8533 6.9204 6.9207 6.9236 6.9240 k = 0.5000 0.1000 0.0593 ( 8052 PWs) bands (ev): -37.5281 -37.5281 -35.6434 -35.6434 -35.5653 -35.5653 -18.7728 -18.7728 -18.3971 -18.3971 -18.3912 -18.3912 -16.9203 -16.9203 -16.8214 -16.8214 -16.5558 -16.5558 -16.4839 -16.4839 -16.4444 -16.4444 -16.4077 -16.4077 -11.5060 -11.5060 -11.3464 -11.3464 -0.7738 -0.7738 -0.4629 -0.4629 0.4204 0.4204 0.5163 0.5163 0.7041 0.7041 0.9284 0.9284 1.0261 1.0261 4.0961 4.0961 5.8571 5.8571 6.2785 6.2785 6.2921 6.2921 6.3163 6.3163 6.8534 6.8534 6.9209 6.9209 6.9234 6.9234 k = 0.5000-1.2000-0.7113 ( 7950 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4174 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5619 -16.5619 -16.5007 -16.5007 -16.4478 -16.4478 -16.4227 -16.4227 -11.4035 -11.4035 -11.2866 -11.2866 -0.6197 -0.6197 -0.3231 -0.3231 0.0461 0.0461 0.2671 0.2671 0.3462 0.3462 0.5301 0.5301 0.6449 0.6449 4.2008 4.2008 5.3063 5.3063 6.0075 6.0075 6.0124 6.0124 6.7770 6.7770 7.2023 7.2023 7.6047 7.6047 7.7123 7.7123 k = 0.5324-1.1900-0.7054 ( 7949 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4174 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5619 -16.5619 -16.5007 -16.5007 -16.4478 -16.4478 -16.4227 -16.4227 -11.4035 -11.4035 -11.2866 -11.2866 -0.6195 -0.6194 -0.3238 -0.3233 0.0448 0.0478 0.2645 0.2697 0.3451 0.3473 0.5296 0.5305 0.6447 0.6451 4.2010 4.2011 5.3060 5.3062 6.0064 6.0066 6.0119 6.0120 6.7794 6.7811 7.1999 7.2012 7.6049 7.6052 7.7126 7.7128 k = 0.5649-1.1800-0.6994 ( 7964 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4174 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5620 -16.5619 -16.5007 -16.5007 -16.4479 -16.4479 -16.4228 -16.4227 -11.4035 -11.4035 -11.2866 -11.2866 -0.6187 -0.6186 -0.3255 -0.3245 0.0441 0.0498 0.2620 0.2721 0.3443 0.3485 0.5290 0.5309 0.6446 0.6453 4.2016 4.2018 5.3052 5.3057 6.0023 6.0027 6.0112 6.0112 6.7882 6.7915 7.1942 7.1966 7.6058 7.6064 7.7137 7.7139 k = 0.5973-1.1700-0.6935 ( 7962 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4174 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5619 -16.5619 -16.5007 -16.5007 -16.4479 -16.4479 -16.4228 -16.4227 -11.4035 -11.4035 -11.2866 -11.2866 -0.6174 -0.6173 -0.3281 -0.3267 0.0438 0.0521 0.2597 0.2741 0.3438 0.3497 0.5284 0.5311 0.6445 0.6455 4.2028 4.2031 5.3041 5.3047 5.9951 5.9957 6.0109 6.0109 6.8028 6.8075 7.1855 7.1890 7.6075 7.6086 7.7155 7.7156 k = 0.6297-1.1600-0.6876 ( 7966 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4174 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5620 -16.5619 -16.5007 -16.5007 -16.4479 -16.4479 -16.4228 -16.4227 -11.4035 -11.4035 -11.2866 -11.2866 -0.6157 -0.6155 -0.3314 -0.3297 0.0441 0.0545 0.2577 0.2757 0.3437 0.3509 0.5278 0.5313 0.6444 0.6458 4.2044 4.2047 5.3026 5.3033 5.9856 5.9863 6.0108 6.0108 6.8223 6.8284 7.1744 7.1790 7.6102 7.6117 7.7175 7.7177 k = 0.6622-1.1500-0.6817 ( 7973 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4174 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5620 -16.5619 -16.5008 -16.5007 -16.4479 -16.4479 -16.4228 -16.4227 -11.4036 -11.4035 -11.2866 -11.2866 -0.6135 -0.6133 -0.3353 -0.3334 0.0448 0.0569 0.2561 0.2767 0.3440 0.3519 0.5271 0.5314 0.6444 0.6461 4.2063 4.2067 5.3007 5.3017 5.9745 5.9753 6.0107 6.0107 6.8455 6.8528 7.1618 7.1672 7.6139 7.6160 7.7196 7.7202 k = 0.6946-1.1400-0.6757 ( 7972 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4174 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5620 -16.5619 -16.5007 -16.5007 -16.4479 -16.4479 -16.4228 -16.4227 -11.4036 -11.4036 -11.2866 -11.2866 -0.6110 -0.6108 -0.3396 -0.3376 0.0459 0.0589 0.2550 0.2769 0.3449 0.3529 0.5265 0.5314 0.6444 0.6463 4.2085 4.2089 5.2987 5.2997 5.9626 5.9633 6.0107 6.0107 6.8711 6.8793 7.1489 7.1549 7.6186 7.6212 7.7216 7.7229 k = 0.7270-1.1300-0.6698 ( 7971 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4174 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5620 -16.5619 -16.5007 -16.5007 -16.4479 -16.4478 -16.4228 -16.4227 -11.4036 -11.4036 -11.2867 -11.2866 -0.6082 -0.6079 -0.3442 -0.3423 0.0472 0.0606 0.2544 0.2765 0.3464 0.3538 0.5260 0.5314 0.6445 0.6467 4.2108 4.2114 5.2965 5.2975 5.9504 5.9511 6.0108 6.0108 6.8974 6.9062 7.1371 7.1434 7.6239 7.6271 7.7239 7.7258 k = 0.7595-1.1200-0.6639 ( 7980 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4174 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5620 -16.5619 -16.5007 -16.5007 -16.4479 -16.4479 -16.4228 -16.4227 -11.4036 -11.4036 -11.2867 -11.2867 -0.6053 -0.6049 -0.3488 -0.3472 0.0486 0.0617 0.2545 0.2754 0.3484 0.3545 0.5255 0.5314 0.6447 0.6470 4.2133 4.2139 5.2941 5.2952 5.9385 5.9391 6.0108 6.0108 6.9221 6.9310 7.1283 7.1345 7.6297 7.6333 7.7263 7.7289 k = 0.7919-1.1100-0.6579 ( 7976 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4174 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5620 -16.5619 -16.5007 -16.5007 -16.4479 -16.4478 -16.4228 -16.4227 -11.4036 -11.4036 -11.2867 -11.2867 -0.6023 -0.6018 -0.3533 -0.3520 0.0499 0.0620 0.2551 0.2738 0.3507 0.3551 0.5250 0.5313 0.6449 0.6473 4.2158 4.2164 5.2917 5.2928 5.9273 5.9279 6.0109 6.0109 6.9431 6.9512 7.1249 7.1303 7.6352 7.6391 7.7294 7.7325 k = 0.8243-1.1000-0.6520 ( 7983 PWs) bands (ev): -37.5268 -37.5268 -35.6422 -35.6422 -35.5641 -35.5641 -18.7825 -18.7825 -18.4174 -18.4174 -18.3886 -18.3886 -16.9235 -16.9235 -16.8301 -16.8301 -16.5620 -16.5619 -16.5007 -16.5007 -16.4479 -16.4478 -16.4228 -16.4227 -11.4037 -11.4037 -11.2867 -11.2867 -0.5993 -0.5987 -0.3574 -0.3565 0.0512 0.0616 0.2563 0.2717 0.3533 0.3556 0.5247 0.5313 0.6451 0.6477 4.2183 4.2188 5.2893 5.2903 5.9173 5.9177 6.0110 6.0110 6.9582 6.9646 7.1285 7.1323 7.6400 7.6440 7.7335 7.7368 Writing output data file Ca3SiBr2.save init_run : 0.66s CPU 2.03s WALL ( 1 calls) electrons : 2640.27s CPU 2795.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.35s WALL ( 1 calls) potinit : 0.11s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 2640.26s CPU 2795.55s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.10s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.05s WALL ( 261 calls) cegterg : 2502.34s CPU 2649.07s WALL ( 1341 calls) Called by sum_band: Called by *egterg: h_psi : 2122.57s CPU 2263.63s WALL ( 26582 calls) s_psi : 22.12s CPU 23.65s WALL ( 26582 calls) g_psi : 0.80s CPU 0.79s WALL ( 24980 calls) cdiaghg : 293.11s CPU 293.70s WALL ( 25241 calls) cegterg:over : 59.16s CPU 60.94s WALL ( 24980 calls) cegterg:upda : 12.22s CPU 20.06s WALL ( 24980 calls) cegterg:last : 9.04s CPU 10.39s WALL ( 2913 calls) Called by h_psi: h_psi:vloc : 2068.73s CPU 2196.16s WALL ( 26582 calls) h_psi:vnl : 53.60s CPU 66.88s WALL ( 26582 calls) add_vuspsi : 19.62s CPU 24.85s WALL ( 26582 calls) General routines calbec : 33.96s CPU 41.97s WALL ( 26582 calls) fft : 0.12s CPU 0.12s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 2051.00s CPU 2137.95s WALL ( 1979312 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.05s CPU 1.64s WALL ( 522 calls) Parallel routines fft_scatter : 1747.80s CPU 1359.96s WALL ( 1979335 calls) PWSCF : 45m 6.66s CPU 48m59.11s WALL This run was terminated on: 18:17:22 28Nov2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=