Program PWSCF v.5.1.1 starts on 23Jun2015 at 23:56:24 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./NbAs.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P 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 44 32 9 716 435 72 Max 45 33 10 719 446 74 Sum 2147 1561 473 34437 21125 3523 bravais-lattice index = 14 lattice parameter (alat) = 11.9610 a.u. unit-cell volume = 469.5431 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 267.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.961042 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.851305 celldm(5)= -0.851305 celldm(6)= 0.702610 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.702610 0.711575 0.000000 ) a(3) = ( -0.851305 -0.355787 0.385610 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.987402 1.296648 ) b(2) = ( 0.000000 1.405334 1.296648 ) b(3) = ( 0.000000 0.000000 2.593296 ) PseudoPot. # 1 for Nb read from file: /home/autes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Nb 13.00 92.90640 Nb( 1.00) As 5.00 74.92160 As( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( -0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.1928048 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 392 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 2) = ( 0.0000000 0.0000000 0.0199484), wk = 0.0025510 k( 3) = ( 0.0000000 0.0000000 0.0398969), wk = 0.0025510 k( 4) = ( 0.0000000 0.0000000 0.0598453), wk = 0.0025510 k( 5) = ( 0.0000000 0.0000000 0.0797937), wk = 0.0025510 k( 6) = ( 0.0000000 0.0000000 0.0997422), wk = 0.0025510 k( 7) = ( 0.0000000 0.0000000 0.1196906), wk = 0.0025510 k( 8) = ( 0.0000000 0.0000000 0.1396390), wk = 0.0025510 k( 9) = ( 0.0000000 0.0000000 0.1595875), wk = 0.0025510 k( 10) = ( 0.0000000 0.0000000 0.1795359), wk = 0.0025510 k( 11) = ( 0.0000000 0.0000000 0.1994843), wk = 0.0025510 k( 12) = ( 0.0000000 0.0000000 0.2194328), wk = 0.0025510 k( 13) = ( 0.0000000 0.0000000 0.2393812), wk = 0.0025510 k( 14) = ( 0.0000000 0.0000000 0.2593296), wk = 0.0025510 k( 15) = ( 0.0000000 0.0000000 0.2792781), wk = 0.0025510 k( 16) = ( 0.0000000 0.0000000 0.2992265), wk = 0.0025510 k( 17) = ( 0.0000000 0.0000000 0.3191749), wk = 0.0025510 k( 18) = ( 0.0000000 0.0000000 0.3391234), wk = 0.0025510 k( 19) = ( 0.0000000 0.0000000 0.3590718), wk = 0.0025510 k( 20) = ( 0.0000000 0.0000000 0.3790202), wk = 0.0025510 k( 21) = ( 0.0000000 0.0000000 0.3989687), wk = 0.0025510 k( 22) = ( 0.0000000 0.0000000 0.4189171), wk = 0.0025510 k( 23) = ( 0.0000000 0.0000000 0.4388655), wk = 0.0025510 k( 24) = ( 0.0000000 0.0000000 0.4588140), wk = 0.0025510 k( 25) = ( 0.0000000 0.0000000 0.4787624), wk = 0.0025510 k( 26) = ( 0.0000000 0.0000000 0.4987108), wk = 0.0025510 k( 27) = ( 0.0000000 0.0000000 0.5186593), wk = 0.0025510 k( 28) = ( 0.0000000 0.0000000 0.5386077), wk = 0.0025510 k( 29) = ( 0.0000000 0.0000000 0.5585562), wk = 0.0025510 k( 30) = ( 0.0000000 0.0000000 0.5785046), wk = 0.0025510 k( 31) = ( 0.0000000 0.0000000 0.5984530), wk = 0.0025510 k( 32) = ( 0.0000000 0.0000000 0.6184014), wk = 0.0025510 k( 33) = ( 0.0000000 0.0000000 0.6383499), wk = 0.0025510 k( 34) = ( 0.0000000 0.0000000 0.6582983), wk = 0.0025510 k( 35) = ( 0.0000000 0.0000000 0.6782467), wk = 0.0025510 k( 36) = ( 0.0000000 0.0000000 0.6981952), wk = 0.0025510 k( 37) = ( 0.0000000 0.0000000 0.7181436), wk = 0.0025510 k( 38) = ( 0.0000000 0.0000000 0.7380920), wk = 0.0025510 k( 39) = ( 0.0000000 0.0000000 0.7580405), wk = 0.0025510 k( 40) = ( 0.0000000 0.0000000 0.7779889), wk = 0.0025510 k( 41) = ( 0.0000000 0.0000000 0.7979374), wk = 0.0025510 k( 42) = ( 0.0000000 0.0000000 0.8178858), wk = 0.0025510 k( 43) = ( 0.0000000 0.0000000 0.8378342), wk = 0.0025510 k( 44) = ( 0.0000000 0.0000000 0.8577826), wk = 0.0025510 k( 45) = ( 0.0000000 0.0000000 0.8777311), wk = 0.0025510 k( 46) = ( 0.0000000 0.0000000 0.8976795), wk = 0.0025510 k( 47) = ( 0.0000000 0.0000000 0.9176279), wk = 0.0025510 k( 48) = ( 0.0000000 0.0000000 0.9375764), wk = 0.0025510 k( 49) = ( 0.0000000 0.0000000 0.9575248), wk = 0.0025510 k( 50) = ( 0.0000000 0.0000000 0.9774733), wk = 0.0025510 k( 51) = ( 0.0000000 0.0000000 0.9974217), wk = 0.0025510 k( 52) = ( 0.0000000 0.0000000 1.0173701), wk = 0.0025510 k( 53) = ( 0.0000000 0.0000000 1.0373185), wk = 0.0025510 k( 54) = ( 0.0000000 0.0000000 1.0572670), wk = 0.0025510 k( 55) = ( 0.0000000 0.0000000 1.0772154), wk = 0.0025510 k( 56) = ( 0.0000000 0.0000000 1.0971638), wk = 0.0025510 k( 57) = ( 0.0000000 0.0000000 1.1171123), wk = 0.0025510 k( 58) = ( 0.0000000 0.0000000 1.1370607), wk = 0.0025510 k( 59) = ( 0.0000000 0.0000000 1.1570092), wk = 0.0025510 k( 60) = ( 0.0000000 0.0000000 1.1769576), wk = 0.0025510 k( 61) = ( 0.0000000 0.0000000 1.1969060), wk = 0.0025510 k( 62) = ( 0.0000000 0.0000000 1.2168545), wk = 0.0025510 k( 63) = ( 0.0000000 0.0000000 1.2368029), wk = 0.0025510 k( 64) = ( 0.0000000 0.0000000 1.2567513), wk = 0.0025510 k( 65) = ( 0.0000000 0.0000000 1.2766997), wk = 0.0025510 k( 66) = ( 0.0000000 0.0000000 1.2966482), wk = 0.0025510 k( 67) = ( 0.0000000 0.0000000 1.2966482), wk = 0.0025510 k( 68) = ( -0.0072778 0.0174138 1.2966482), wk = 0.0025510 k( 69) = ( -0.0145556 0.0348276 1.2966482), wk = 0.0025510 k( 70) = ( -0.0218334 0.0522414 1.2966482), wk = 0.0025510 k( 71) = ( -0.0291111 0.0696553 1.2966482), wk = 0.0025510 k( 72) = ( -0.0363889 0.0870691 1.2966482), wk = 0.0025510 k( 73) = ( -0.0436667 0.1044829 1.2966482), wk = 0.0025510 k( 74) = ( -0.0436667 0.1044829 1.2966482), wk = 0.0025510 k( 75) = ( -0.0490992 0.1174815 1.2825600), wk = 0.0025510 k( 76) = ( -0.0545318 0.1304802 1.2684718), wk = 0.0025510 k( 77) = ( -0.0599643 0.1434788 1.2543836), wk = 0.0025510 k( 78) = ( -0.0653969 0.1564774 1.2402954), wk = 0.0025510 k( 79) = ( -0.0708294 0.1694761 1.2262073), wk = 0.0025510 k( 80) = ( -0.0762619 0.1824747 1.2121191), wk = 0.0025510 k( 81) = ( -0.0816945 0.1954733 1.1980309), wk = 0.0025510 k( 82) = ( -0.0871270 0.2084720 1.1839427), wk = 0.0025510 k( 83) = ( -0.0925596 0.2214706 1.1698545), wk = 0.0025510 k( 84) = ( -0.0979921 0.2344692 1.1557663), wk = 0.0025510 k( 85) = ( -0.1034246 0.2474678 1.1416782), wk = 0.0025510 k( 86) = ( -0.1088572 0.2604665 1.1275900), wk = 0.0025510 k( 87) = ( -0.1142897 0.2734651 1.1135018), wk = 0.0025510 k( 88) = ( -0.1197223 0.2864637 1.0994136), wk = 0.0025510 k( 89) = ( -0.1251548 0.2994624 1.0853254), wk = 0.0025510 k( 90) = ( -0.1305873 0.3124610 1.0712372), wk = 0.0025510 k( 91) = ( -0.1360199 0.3254597 1.0571490), wk = 0.0025510 k( 92) = ( -0.1414524 0.3384583 1.0430609), wk = 0.0025510 k( 93) = ( -0.1468849 0.3514569 1.0289727), wk = 0.0025510 k( 94) = ( -0.1523175 0.3644556 1.0148845), wk = 0.0025510 k( 95) = ( -0.1577500 0.3774542 1.0007963), wk = 0.0025510 k( 96) = ( -0.1631826 0.3904528 0.9867081), wk = 0.0025510 k( 97) = ( -0.1686151 0.4034515 0.9726200), wk = 0.0025510 k( 98) = ( -0.1740476 0.4164501 0.9585318), wk = 0.0025510 k( 99) = ( -0.1794802 0.4294487 0.9444436), wk = 0.0025510 k( 100) = ( -0.1849127 0.4424473 0.9303554), wk = 0.0025510 k( 101) = ( -0.1903453 0.4554460 0.9162672), wk = 0.0025510 k( 102) = ( -0.1957778 0.4684446 0.9021790), wk = 0.0025510 k( 103) = ( -0.2012103 0.4814432 0.8880908), wk = 0.0025510 k( 104) = ( -0.2066429 0.4944419 0.8740026), wk = 0.0025510 k( 105) = ( -0.2120754 0.5074405 0.8599145), wk = 0.0025510 k( 106) = ( -0.2175080 0.5204391 0.8458263), wk = 0.0025510 k( 107) = ( -0.2229405 0.5334378 0.8317381), wk = 0.0025510 k( 108) = ( -0.2283730 0.5464364 0.8176499), wk = 0.0025510 k( 109) = ( -0.2338056 0.5594351 0.8035617), wk = 0.0025510 k( 110) = ( -0.2392381 0.5724337 0.7894736), wk = 0.0025510 k( 111) = ( -0.2446707 0.5854323 0.7753854), wk = 0.0025510 k( 112) = ( -0.2501032 0.5984309 0.7612972), wk = 0.0025510 k( 113) = ( -0.2555357 0.6114296 0.7472090), wk = 0.0025510 k( 114) = ( -0.2609683 0.6244282 0.7331208), wk = 0.0025510 k( 115) = ( -0.2664008 0.6374268 0.7190326), wk = 0.0025510 k( 116) = ( -0.2718333 0.6504255 0.7049444), wk = 0.0025510 k( 117) = ( -0.2718333 0.6504255 0.7049444), wk = 0.0025510 k( 118) = ( -0.2663967 0.6374170 0.6908455), wk = 0.0025510 k( 119) = ( -0.2609600 0.6244085 0.6767467), wk = 0.0025510 k( 120) = ( -0.2555233 0.6113999 0.6626478), wk = 0.0025510 k( 121) = ( -0.2500867 0.5983914 0.6485489), wk = 0.0025510 k( 122) = ( -0.2446500 0.5853829 0.6344500), wk = 0.0025510 k( 123) = ( -0.2392133 0.5723744 0.6203511), wk = 0.0025510 k( 124) = ( -0.2337767 0.5593659 0.6062522), wk = 0.0025510 k( 125) = ( -0.2283400 0.5463574 0.5921533), wk = 0.0025510 k( 126) = ( -0.2229034 0.5333489 0.5780544), wk = 0.0025510 k( 127) = ( -0.2174667 0.5203404 0.5639556), wk = 0.0025510 k( 128) = ( -0.2120300 0.5073319 0.5498567), wk = 0.0025510 k( 129) = ( -0.2065934 0.4943234 0.5357578), wk = 0.0025510 k( 130) = ( -0.2011567 0.4813149 0.5216589), wk = 0.0025510 k( 131) = ( -0.1957200 0.4683063 0.5075600), wk = 0.0025510 k( 132) = ( -0.1902833 0.4552978 0.4934611), wk = 0.0025510 k( 133) = ( -0.1848467 0.4422893 0.4793622), wk = 0.0025510 k( 134) = ( -0.1794100 0.4292808 0.4652633), wk = 0.0025510 k( 135) = ( -0.1739733 0.4162723 0.4511645), wk = 0.0025510 k( 136) = ( -0.1685367 0.4032638 0.4370656), wk = 0.0025510 k( 137) = ( -0.1631000 0.3902553 0.4229667), wk = 0.0025510 k( 138) = ( -0.1576633 0.3772468 0.4088678), wk = 0.0025510 k( 139) = ( -0.1522267 0.3642383 0.3947689), wk = 0.0025510 k( 140) = ( -0.1467900 0.3512298 0.3806700), wk = 0.0025510 k( 141) = ( -0.1413533 0.3382212 0.3665711), wk = 0.0025510 k( 142) = ( -0.1359167 0.3252127 0.3524722), wk = 0.0025510 k( 143) = ( -0.1304800 0.3122042 0.3383733), wk = 0.0025510 k( 144) = ( -0.1250433 0.2991957 0.3242744), wk = 0.0025510 k( 145) = ( -0.1196067 0.2861872 0.3101755), wk = 0.0025510 k( 146) = ( -0.1141700 0.2731787 0.2960767), wk = 0.0025510 k( 147) = ( -0.1087333 0.2601702 0.2819778), wk = 0.0025510 k( 148) = ( -0.1032967 0.2471617 0.2678789), wk = 0.0025510 k( 149) = ( -0.0978600 0.2341532 0.2537800), wk = 0.0025510 k( 150) = ( -0.0924233 0.2211447 0.2396811), wk = 0.0025510 k( 151) = ( -0.0869867 0.2081361 0.2255822), wk = 0.0025510 k( 152) = ( -0.0815500 0.1951277 0.2114833), wk = 0.0025510 k( 153) = ( -0.0761133 0.1821191 0.1973844), wk = 0.0025510 k( 154) = ( -0.0706767 0.1691106 0.1832856), wk = 0.0025510 k( 155) = ( -0.0652400 0.1561021 0.1691867), wk = 0.0025510 k( 156) = ( -0.0598033 0.1430936 0.1550878), wk = 0.0025510 k( 157) = ( -0.0543667 0.1300851 0.1409889), wk = 0.0025510 k( 158) = ( -0.0489300 0.1170766 0.1268900), wk = 0.0025510 k( 159) = ( -0.0434933 0.1040681 0.1127911), wk = 0.0025510 k( 160) = ( -0.0380567 0.0910596 0.0986922), wk = 0.0025510 k( 161) = ( -0.0326200 0.0780511 0.0845933), wk = 0.0025510 k( 162) = ( -0.0271833 0.0650426 0.0704945), wk = 0.0025510 k( 163) = ( -0.0217467 0.0520340 0.0563956), wk = 0.0025510 k( 164) = ( -0.0163100 0.0390255 0.0422967), wk = 0.0025510 k( 165) = ( -0.0108733 0.0260170 0.0281978), wk = 0.0025510 k( 166) = ( -0.0054367 0.0130085 0.0140989), wk = 0.0025510 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 169) = ( 0.0185185 0.0077395 -0.0000000), wk = 0.0025510 k( 170) = ( 0.0370370 0.0154789 -0.0000000), wk = 0.0025510 k( 171) = ( 0.0555556 0.0232184 0.0000000), wk = 0.0025510 k( 172) = ( 0.0740741 0.0309579 -0.0000000), wk = 0.0025510 k( 173) = ( 0.0925926 0.0386974 -0.0000000), wk = 0.0025510 k( 174) = ( 0.1111111 0.0464368 0.0000000), wk = 0.0025510 k( 175) = ( 0.1296296 0.0541763 -0.0000000), wk = 0.0025510 k( 176) = ( 0.1481482 0.0619158 -0.0000000), wk = 0.0025510 k( 177) = ( 0.1666667 0.0696553 -0.0000000), wk = 0.0025510 k( 178) = ( 0.1851852 0.0773947 -0.0000000), wk = 0.0025510 k( 179) = ( 0.2037037 0.0851342 0.0000000), wk = 0.0025510 k( 180) = ( 0.2222222 0.0928737 0.0000000), wk = 0.0025510 k( 181) = ( 0.2407407 0.1006132 -0.0000000), wk = 0.0025510 k( 182) = ( 0.2592593 0.1083526 -0.0000000), wk = 0.0025510 k( 183) = ( 0.2777778 0.1160921 -0.0000000), wk = 0.0025510 k( 184) = ( 0.2962963 0.1238316 -0.0000000), wk = 0.0025510 k( 185) = ( 0.3148148 0.1315711 -0.0000000), wk = 0.0025510 k( 186) = ( 0.3333333 0.1393105 -0.0000000), wk = 0.0025510 k( 187) = ( 0.3518519 0.1470500 -0.0000000), wk = 0.0025510 k( 188) = ( 0.3703704 0.1547895 -0.0000000), wk = 0.0025510 k( 189) = ( 0.3888889 0.1625290 -0.0000000), wk = 0.0025510 k( 190) = ( 0.4074074 0.1702684 -0.0000000), wk = 0.0025510 k( 191) = ( 0.4259259 0.1780079 -0.0000000), wk = 0.0025510 k( 192) = ( 0.4444444 0.1857474 0.0000000), wk = 0.0025510 k( 193) = ( 0.4629630 0.1934868 -0.0000000), wk = 0.0025510 k( 194) = ( 0.4814815 0.2012263 -0.0000000), wk = 0.0025510 k( 195) = ( 0.5000000 0.2089658 -0.0000000), wk = 0.0025510 k( 196) = ( 0.5000000 0.2089658 -0.0000000), wk = 0.0025510 k( 197) = ( 0.4945675 0.2219644 0.0140882), wk = 0.0025510 k( 198) = ( 0.4891349 0.2349631 0.0281764), wk = 0.0025510 k( 199) = ( 0.4837024 0.2479617 0.0422646), wk = 0.0025510 k( 200) = ( 0.4782698 0.2609603 0.0563527), wk = 0.0025510 k( 201) = ( 0.4728373 0.2739590 0.0704409), wk = 0.0025510 k( 202) = ( 0.4674048 0.2869576 0.0845291), wk = 0.0025510 k( 203) = ( 0.4619722 0.2999562 0.0986173), wk = 0.0025510 k( 204) = ( 0.4565397 0.3129548 0.1127055), wk = 0.0025510 k( 205) = ( 0.4511072 0.3259535 0.1267937), wk = 0.0025510 k( 206) = ( 0.4456746 0.3389521 0.1408818), wk = 0.0025510 k( 207) = ( 0.4402421 0.3519508 0.1549700), wk = 0.0025510 k( 208) = ( 0.4348095 0.3649494 0.1690582), wk = 0.0025510 k( 209) = ( 0.4293770 0.3779480 0.1831464), wk = 0.0025510 k( 210) = ( 0.4239444 0.3909467 0.1972346), wk = 0.0025510 k( 211) = ( 0.4185119 0.4039453 0.2113228), wk = 0.0025510 k( 212) = ( 0.4130794 0.4169439 0.2254110), wk = 0.0025510 k( 213) = ( 0.4076468 0.4299426 0.2394991), wk = 0.0025510 k( 214) = ( 0.4022143 0.4429412 0.2535873), wk = 0.0025510 k( 215) = ( 0.3967817 0.4559398 0.2676755), wk = 0.0025510 k( 216) = ( 0.3913492 0.4689384 0.2817637), wk = 0.0025510 k( 217) = ( 0.3859167 0.4819371 0.2958519), wk = 0.0025510 k( 218) = ( 0.3804841 0.4949357 0.3099400), wk = 0.0025510 k( 219) = ( 0.3750516 0.5079343 0.3240282), wk = 0.0025510 k( 220) = ( 0.3696191 0.5209330 0.3381164), wk = 0.0025510 k( 221) = ( 0.3641865 0.5339316 0.3522046), wk = 0.0025510 k( 222) = ( 0.3587540 0.5469302 0.3662928), wk = 0.0025510 k( 223) = ( 0.3533214 0.5599289 0.3803810), wk = 0.0025510 k( 224) = ( 0.3478889 0.5729275 0.3944692), wk = 0.0025510 k( 225) = ( 0.3424564 0.5859261 0.4085573), wk = 0.0025510 k( 226) = ( 0.3370238 0.5989248 0.4226455), wk = 0.0025510 k( 227) = ( 0.3315913 0.6119234 0.4367337), wk = 0.0025510 k( 228) = ( 0.3261587 0.6249221 0.4508219), wk = 0.0025510 k( 229) = ( 0.3207262 0.6379207 0.4649101), wk = 0.0025510 k( 230) = ( 0.3152937 0.6509193 0.4789983), wk = 0.0025510 k( 231) = ( 0.3098611 0.6639179 0.4930864), wk = 0.0025510 k( 232) = ( 0.3044286 0.6769166 0.5071746), wk = 0.0025510 k( 233) = ( 0.2989961 0.6899152 0.5212628), wk = 0.0025510 k( 234) = ( 0.2935635 0.7029138 0.5353510), wk = 0.0025510 k( 235) = ( 0.2881310 0.7159125 0.5494392), wk = 0.0025510 k( 236) = ( 0.2826984 0.7289111 0.5635274), wk = 0.0025510 k( 237) = ( 0.2772659 0.7419097 0.5776156), wk = 0.0025510 k( 238) = ( 0.2718333 0.7549084 0.5917037), wk = 0.0025510 k( 239) = ( 0.2718333 0.7549084 0.5917037), wk = 0.0025510 k( 240) = ( 0.2537111 0.7514256 0.5954784), wk = 0.0025510 k( 241) = ( 0.2355889 0.7479429 0.5992531), wk = 0.0025510 k( 242) = ( 0.2174667 0.7444601 0.6030278), wk = 0.0025510 k( 243) = ( 0.1993445 0.7409773 0.6068025), wk = 0.0025510 k( 244) = ( 0.1812222 0.7374946 0.6105772), wk = 0.0025510 k( 245) = ( 0.1631000 0.7340118 0.6143519), wk = 0.0025510 k( 246) = ( 0.1449778 0.7305290 0.6181266), wk = 0.0025510 k( 247) = ( 0.1268556 0.7270463 0.6219013), wk = 0.0025510 k( 248) = ( 0.1087333 0.7235635 0.6256760), wk = 0.0025510 k( 249) = ( 0.0906111 0.7200807 0.6294506), wk = 0.0025510 k( 250) = ( 0.0724889 0.7165980 0.6332253), wk = 0.0025510 k( 251) = ( 0.0543667 0.7131152 0.6370000), wk = 0.0025510 k( 252) = ( 0.0362444 0.7096324 0.6407747), wk = 0.0025510 k( 253) = ( 0.0181222 0.7061497 0.6445494), wk = 0.0025510 k( 254) = ( 0.0000000 0.7026669 0.6483241), wk = 0.0025510 k( 255) = ( 0.0000000 0.7026669 0.6483241), wk = 0.0025510 k( 256) = ( 0.0054348 0.6896629 0.6624181), wk = 0.0025510 k( 257) = ( 0.0108696 0.6766589 0.6765121), wk = 0.0025510 k( 258) = ( 0.0163043 0.6636549 0.6906061), wk = 0.0025510 k( 259) = ( 0.0217391 0.6506509 0.7047001), wk = 0.0025510 k( 260) = ( 0.0271739 0.6376469 0.7187941), wk = 0.0025510 k( 261) = ( 0.0326087 0.6246429 0.7328881), wk = 0.0025510 k( 262) = ( 0.0380435 0.6116389 0.7469821), wk = 0.0025510 k( 263) = ( 0.0434783 0.5986349 0.7610761), wk = 0.0025510 k( 264) = ( 0.0489130 0.5856309 0.7751701), wk = 0.0025510 k( 265) = ( 0.0543478 0.5726269 0.7892641), wk = 0.0025510 k( 266) = ( 0.0597826 0.5596229 0.8033581), wk = 0.0025510 k( 267) = ( 0.0652174 0.5466189 0.8174521), wk = 0.0025510 k( 268) = ( 0.0706522 0.5336149 0.8315461), wk = 0.0025510 k( 269) = ( 0.0760870 0.5206109 0.8456401), wk = 0.0025510 k( 270) = ( 0.0815217 0.5076069 0.8597341), wk = 0.0025510 k( 271) = ( 0.0869565 0.4946029 0.8738281), wk = 0.0025510 k( 272) = ( 0.0923913 0.4815989 0.8879221), wk = 0.0025510 k( 273) = ( 0.0978261 0.4685949 0.9020161), wk = 0.0025510 k( 274) = ( 0.1032609 0.4555909 0.9161101), wk = 0.0025510 k( 275) = ( 0.1086957 0.4425869 0.9302041), wk = 0.0025510 k( 276) = ( 0.1141304 0.4295829 0.9442981), wk = 0.0025510 k( 277) = ( 0.1195652 0.4165789 0.9583921), wk = 0.0025510 k( 278) = ( 0.1250000 0.4035749 0.9724861), wk = 0.0025510 k( 279) = ( 0.1304348 0.3905709 0.9865801), wk = 0.0025510 k( 280) = ( 0.1358696 0.3775669 1.0006742), wk = 0.0025510 k( 281) = ( 0.1413043 0.3645629 1.0147681), wk = 0.0025510 k( 282) = ( 0.1467391 0.3515589 1.0288621), wk = 0.0025510 k( 283) = ( 0.1521739 0.3385549 1.0429561), wk = 0.0025510 k( 284) = ( 0.1576087 0.3255509 1.0570502), wk = 0.0025510 k( 285) = ( 0.1630435 0.3125469 1.0711442), wk = 0.0025510 k( 286) = ( 0.1684783 0.2995429 1.0852382), wk = 0.0025510 k( 287) = ( 0.1739130 0.2865389 1.0993321), wk = 0.0025510 k( 288) = ( 0.1793478 0.2735349 1.1134262), wk = 0.0025510 k( 289) = ( 0.1847826 0.2605309 1.1275202), wk = 0.0025510 k( 290) = ( 0.1902174 0.2475269 1.1416142), wk = 0.0025510 k( 291) = ( 0.1956522 0.2345229 1.1557082), wk = 0.0025510 k( 292) = ( 0.2010870 0.2215189 1.1698022), wk = 0.0025510 k( 293) = ( 0.2065217 0.2085149 1.1838962), wk = 0.0025510 k( 294) = ( 0.2119565 0.1955109 1.1979902), wk = 0.0025510 k( 295) = ( 0.2173913 0.1825069 1.2120842), wk = 0.0025510 k( 296) = ( 0.2228261 0.1695029 1.2261782), wk = 0.0025510 k( 297) = ( 0.2282609 0.1564989 1.2402722), wk = 0.0025510 k( 298) = ( 0.2336957 0.1434949 1.2543662), wk = 0.0025510 k( 299) = ( 0.2391304 0.1304909 1.2684602), wk = 0.0025510 k( 300) = ( 0.2445652 0.1174869 1.2825542), wk = 0.0025510 k( 301) = ( 0.2500000 0.1044829 1.2966482), wk = 0.0025510 k( 302) = ( 0.2500000 0.1044829 1.2966482), wk = 0.0025510 k( 303) = ( 0.2666667 0.1114484 1.2890988), wk = 0.0025510 k( 304) = ( 0.2833333 0.1184139 1.2815494), wk = 0.0025510 k( 305) = ( 0.3000000 0.1253795 1.2740000), wk = 0.0025510 k( 306) = ( 0.3166667 0.1323450 1.2664507), wk = 0.0025510 k( 307) = ( 0.3333333 0.1393105 1.2589013), wk = 0.0025510 k( 308) = ( 0.3500000 0.1462761 1.2513519), wk = 0.0025510 k( 309) = ( 0.3666667 0.1532416 1.2438025), wk = 0.0025510 k( 310) = ( 0.3833333 0.1602071 1.2362531), wk = 0.0025510 k( 311) = ( 0.4000000 0.1671726 1.2287038), wk = 0.0025510 k( 312) = ( 0.4166667 0.1741382 1.2211544), wk = 0.0025510 k( 313) = ( 0.4333333 0.1811037 1.2136050), wk = 0.0025510 k( 314) = ( 0.4500000 0.1880692 1.2060556), wk = 0.0025510 k( 315) = ( 0.4666667 0.1950347 1.1985063), wk = 0.0025510 k( 316) = ( 0.4833333 0.2020003 1.1909569), wk = 0.0025510 k( 317) = ( 0.5000000 0.2089658 1.1834075), wk = 0.0025510 k( 318) = ( 0.5000000 0.2089658 1.1834075), wk = 0.0025510 k( 319) = ( 0.5000000 0.2089658 1.1633497), wk = 0.0025510 k( 320) = ( 0.5000000 0.2089658 1.1432920), wk = 0.0025510 k( 321) = ( 0.5000000 0.2089658 1.1232342), wk = 0.0025510 k( 322) = ( 0.5000000 0.2089658 1.1031765), wk = 0.0025510 k( 323) = ( 0.5000000 0.2089658 1.0831187), wk = 0.0025510 k( 324) = ( 0.5000000 0.2089658 1.0630610), wk = 0.0025510 k( 325) = ( 0.5000000 0.2089658 1.0430032), wk = 0.0025510 k( 326) = ( 0.5000000 0.2089658 1.0229455), wk = 0.0025510 k( 327) = ( 0.5000000 0.2089658 1.0028877), wk = 0.0025510 k( 328) = ( 0.5000000 0.2089658 0.9828299), wk = 0.0025510 k( 329) = ( 0.5000000 0.2089658 0.9627722), wk = 0.0025510 k( 330) = ( 0.5000000 0.2089658 0.9427144), wk = 0.0025510 k( 331) = ( 0.5000000 0.2089658 0.9226567), wk = 0.0025510 k( 332) = ( 0.5000000 0.2089658 0.9025989), wk = 0.0025510 k( 333) = ( 0.5000000 0.2089658 0.8825412), wk = 0.0025510 k( 334) = ( 0.5000000 0.2089658 0.8624834), wk = 0.0025510 k( 335) = ( 0.5000000 0.2089658 0.8424257), wk = 0.0025510 k( 336) = ( 0.5000000 0.2089658 0.8223679), wk = 0.0025510 k( 337) = ( 0.5000000 0.2089658 0.8023102), wk = 0.0025510 k( 338) = ( 0.5000000 0.2089658 0.7822524), wk = 0.0025510 k( 339) = ( 0.5000000 0.2089658 0.7621946), wk = 0.0025510 k( 340) = ( 0.5000000 0.2089658 0.7421369), wk = 0.0025510 k( 341) = ( 0.5000000 0.2089658 0.7220792), wk = 0.0025510 k( 342) = ( 0.5000000 0.2089658 0.7020214), wk = 0.0025510 k( 343) = ( 0.5000000 0.2089658 0.6819636), wk = 0.0025510 k( 344) = ( 0.5000000 0.2089658 0.6619059), wk = 0.0025510 k( 345) = ( 0.5000000 0.2089658 0.6418481), wk = 0.0025510 k( 346) = ( 0.5000000 0.2089658 0.6217904), wk = 0.0025510 k( 347) = ( 0.5000000 0.2089658 0.6017326), wk = 0.0025510 k( 348) = ( 0.5000000 0.2089658 0.5816749), wk = 0.0025510 k( 349) = ( 0.5000000 0.2089658 0.5616171), wk = 0.0025510 k( 350) = ( 0.5000000 0.2089658 0.5415594), wk = 0.0025510 k( 351) = ( 0.5000000 0.2089658 0.5215016), wk = 0.0025510 k( 352) = ( 0.5000000 0.2089658 0.5014439), wk = 0.0025510 k( 353) = ( 0.5000000 0.2089658 0.4813861), wk = 0.0025510 k( 354) = ( 0.5000000 0.2089658 0.4613283), wk = 0.0025510 k( 355) = ( 0.5000000 0.2089658 0.4412706), wk = 0.0025510 k( 356) = ( 0.5000000 0.2089658 0.4212128), wk = 0.0025510 k( 357) = ( 0.5000000 0.2089658 0.4011551), wk = 0.0025510 k( 358) = ( 0.5000000 0.2089658 0.3810973), wk = 0.0025510 k( 359) = ( 0.5000000 0.2089658 0.3610396), wk = 0.0025510 k( 360) = ( 0.5000000 0.2089658 0.3409818), wk = 0.0025510 k( 361) = ( 0.5000000 0.2089658 0.3209241), wk = 0.0025510 k( 362) = ( 0.5000000 0.2089658 0.3008663), wk = 0.0025510 k( 363) = ( 0.5000000 0.2089658 0.2808086), wk = 0.0025510 k( 364) = ( 0.5000000 0.2089658 0.2607508), wk = 0.0025510 k( 365) = ( 0.5000000 0.2089658 0.2406930), wk = 0.0025510 k( 366) = ( 0.5000000 0.2089658 0.2206353), wk = 0.0025510 k( 367) = ( 0.5000000 0.2089658 0.2005775), wk = 0.0025510 k( 368) = ( 0.5000000 0.2089658 0.1805198), wk = 0.0025510 k( 369) = ( 0.5000000 0.2089658 0.1604620), wk = 0.0025510 k( 370) = ( 0.5000000 0.2089658 0.1404043), wk = 0.0025510 k( 371) = ( 0.5000000 0.2089658 0.1203465), wk = 0.0025510 k( 372) = ( 0.5000000 0.2089658 0.1002888), wk = 0.0025510 k( 373) = ( 0.5000000 0.2089658 0.0802310), wk = 0.0025510 k( 374) = ( 0.5000000 0.2089658 0.0601733), wk = 0.0025510 k( 375) = ( 0.5000000 0.2089658 0.0401155), wk = 0.0025510 k( 376) = ( 0.5000000 0.2089658 0.0200577), wk = 0.0025510 k( 377) = ( 0.5000000 0.2089658 -0.0000000), wk = 0.0025510 k( 378) = ( 0.0000000 0.0000000 1.2966482), wk = 0.0025510 k( 379) = ( 0.0178571 0.0074631 1.2966482), wk = 0.0025510 k( 380) = ( 0.0357143 0.0149261 1.2966482), wk = 0.0025510 k( 381) = ( 0.0535714 0.0223892 1.2966482), wk = 0.0025510 k( 382) = ( 0.0714286 0.0298523 1.2966482), wk = 0.0025510 k( 383) = ( 0.0892857 0.0373153 1.2966482), wk = 0.0025510 k( 384) = ( 0.1071429 0.0447784 1.2966482), wk = 0.0025510 k( 385) = ( 0.1250000 0.0522414 1.2966482), wk = 0.0025510 k( 386) = ( 0.1428571 0.0597045 1.2966482), wk = 0.0025510 k( 387) = ( 0.1607143 0.0671676 1.2966482), wk = 0.0025510 k( 388) = ( 0.1785714 0.0746306 1.2966482), wk = 0.0025510 k( 389) = ( 0.1964286 0.0820937 1.2966482), wk = 0.0025510 k( 390) = ( 0.2142857 0.0895568 1.2966482), wk = 0.0025510 k( 391) = ( 0.2321429 0.0970198 1.2966482), wk = 0.0025510 k( 392) = ( 0.2500000 0.1044829 1.2966482), wk = 0.0025510 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 2) = ( 0.0000000 0.0000000 0.0076923), wk = 0.0025510 k( 3) = ( 0.0000000 0.0000000 0.0153846), wk = 0.0025510 k( 4) = ( 0.0000000 0.0000000 0.0230769), wk = 0.0025510 k( 5) = ( 0.0000000 0.0000000 0.0307692), wk = 0.0025510 k( 6) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0025510 k( 7) = ( 0.0000000 0.0000000 0.0461539), wk = 0.0025510 k( 8) = ( 0.0000000 0.0000000 0.0538461), wk = 0.0025510 k( 9) = ( 0.0000000 0.0000000 0.0615385), wk = 0.0025510 k( 10) = ( 0.0000000 0.0000000 0.0692308), wk = 0.0025510 k( 11) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0025510 k( 12) = ( 0.0000000 0.0000000 0.0846154), wk = 0.0025510 k( 13) = ( 0.0000000 0.0000000 0.0923077), wk = 0.0025510 k( 14) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0025510 k( 15) = ( 0.0000000 0.0000000 0.1076923), wk = 0.0025510 k( 16) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0025510 k( 17) = ( 0.0000000 0.0000000 0.1230769), wk = 0.0025510 k( 18) = ( 0.0000000 0.0000000 0.1307692), wk = 0.0025510 k( 19) = ( 0.0000000 0.0000000 0.1384615), wk = 0.0025510 k( 20) = ( 0.0000000 0.0000000 0.1461539), wk = 0.0025510 k( 21) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0025510 k( 22) = ( 0.0000000 0.0000000 0.1615385), wk = 0.0025510 k( 23) = ( 0.0000000 0.0000000 0.1692308), wk = 0.0025510 k( 24) = ( 0.0000000 0.0000000 0.1769231), wk = 0.0025510 k( 25) = ( 0.0000000 0.0000000 0.1846154), wk = 0.0025510 k( 26) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0025510 k( 27) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0025510 k( 28) = ( 0.0000000 0.0000000 0.2076923), wk = 0.0025510 k( 29) = ( 0.0000000 0.0000000 0.2153846), wk = 0.0025510 k( 30) = ( 0.0000000 0.0000000 0.2230769), wk = 0.0025510 k( 31) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0025510 k( 32) = ( 0.0000000 0.0000000 0.2384615), wk = 0.0025510 k( 33) = ( 0.0000000 0.0000000 0.2461539), wk = 0.0025510 k( 34) = ( 0.0000000 0.0000000 0.2538461), wk = 0.0025510 k( 35) = ( 0.0000000 0.0000000 0.2615385), wk = 0.0025510 k( 36) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0025510 k( 37) = ( 0.0000000 0.0000000 0.2769231), wk = 0.0025510 k( 38) = ( 0.0000000 0.0000000 0.2846154), wk = 0.0025510 k( 39) = ( 0.0000000 0.0000000 0.2923077), wk = 0.0025510 k( 40) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0025510 k( 41) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0025510 k( 42) = ( 0.0000000 0.0000000 0.3153846), wk = 0.0025510 k( 43) = ( 0.0000000 0.0000000 0.3230769), wk = 0.0025510 k( 44) = ( 0.0000000 0.0000000 0.3307692), wk = 0.0025510 k( 45) = ( 0.0000000 0.0000000 0.3384615), wk = 0.0025510 k( 46) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0025510 k( 47) = ( 0.0000000 0.0000000 0.3538461), wk = 0.0025510 k( 48) = ( 0.0000000 0.0000000 0.3615385), wk = 0.0025510 k( 49) = ( 0.0000000 0.0000000 0.3692308), wk = 0.0025510 k( 50) = ( 0.0000000 0.0000000 0.3769231), wk = 0.0025510 k( 51) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0025510 k( 52) = ( 0.0000000 0.0000000 0.3923077), wk = 0.0025510 k( 53) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0025510 k( 54) = ( 0.0000000 0.0000000 0.4076923), wk = 0.0025510 k( 55) = ( 0.0000000 0.0000000 0.4153846), wk = 0.0025510 k( 56) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0025510 k( 57) = ( 0.0000000 0.0000000 0.4307692), wk = 0.0025510 k( 58) = ( 0.0000000 0.0000000 0.4384615), wk = 0.0025510 k( 59) = ( 0.0000000 0.0000000 0.4461539), wk = 0.0025510 k( 60) = ( 0.0000000 0.0000000 0.4538462), wk = 0.0025510 k( 61) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0025510 k( 62) = ( 0.0000000 0.0000000 0.4692308), wk = 0.0025510 k( 63) = ( 0.0000000 0.0000000 0.4769231), wk = 0.0025510 k( 64) = ( 0.0000000 0.0000000 0.4846154), wk = 0.0025510 k( 65) = ( 0.0000000 0.0000000 0.4923077), wk = 0.0025510 k( 66) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510 k( 67) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510 k( 68) = ( -0.0072778 0.0072778 0.5000000), wk = 0.0025510 k( 69) = ( -0.0145556 0.0145556 0.5000000), wk = 0.0025510 k( 70) = ( -0.0218334 0.0218334 0.5000000), wk = 0.0025510 k( 71) = ( -0.0291111 0.0291111 0.5000000), wk = 0.0025510 k( 72) = ( -0.0363889 0.0363889 0.5000000), wk = 0.0025510 k( 73) = ( -0.0436667 0.0436667 0.5000000), wk = 0.0025510 k( 74) = ( -0.0436667 0.0436667 0.5000000), wk = 0.0025510 k( 75) = ( -0.0490992 0.0490992 0.4945675), wk = 0.0025510 k( 76) = ( -0.0545318 0.0545318 0.4891349), wk = 0.0025510 k( 77) = ( -0.0599643 0.0599643 0.4837024), wk = 0.0025510 k( 78) = ( -0.0653969 0.0653969 0.4782698), wk = 0.0025510 k( 79) = ( -0.0708294 0.0708294 0.4728373), wk = 0.0025510 k( 80) = ( -0.0762619 0.0762619 0.4674048), wk = 0.0025510 k( 81) = ( -0.0816945 0.0816945 0.4619722), wk = 0.0025510 k( 82) = ( -0.0871270 0.0871270 0.4565397), wk = 0.0025510 k( 83) = ( -0.0925596 0.0925596 0.4511072), wk = 0.0025510 k( 84) = ( -0.0979921 0.0979921 0.4456746), wk = 0.0025510 k( 85) = ( -0.1034246 0.1034246 0.4402421), wk = 0.0025510 k( 86) = ( -0.1088572 0.1088572 0.4348095), wk = 0.0025510 k( 87) = ( -0.1142897 0.1142897 0.4293770), wk = 0.0025510 k( 88) = ( -0.1197223 0.1197223 0.4239445), wk = 0.0025510 k( 89) = ( -0.1251548 0.1251548 0.4185119), wk = 0.0025510 k( 90) = ( -0.1305873 0.1305873 0.4130794), wk = 0.0025510 k( 91) = ( -0.1360199 0.1360199 0.4076468), wk = 0.0025510 k( 92) = ( -0.1414524 0.1414524 0.4022143), wk = 0.0025510 k( 93) = ( -0.1468849 0.1468849 0.3967818), wk = 0.0025510 k( 94) = ( -0.1523175 0.1523175 0.3913492), wk = 0.0025510 k( 95) = ( -0.1577500 0.1577500 0.3859167), wk = 0.0025510 k( 96) = ( -0.1631826 0.1631826 0.3804841), wk = 0.0025510 k( 97) = ( -0.1686151 0.1686151 0.3750516), wk = 0.0025510 k( 98) = ( -0.1740476 0.1740476 0.3696191), wk = 0.0025510 k( 99) = ( -0.1794802 0.1794802 0.3641865), wk = 0.0025510 k( 100) = ( -0.1849127 0.1849127 0.3587540), wk = 0.0025510 k( 101) = ( -0.1903453 0.1903453 0.3533214), wk = 0.0025510 k( 102) = ( -0.1957778 0.1957778 0.3478889), wk = 0.0025510 k( 103) = ( -0.2012103 0.2012103 0.3424564), wk = 0.0025510 k( 104) = ( -0.2066429 0.2066429 0.3370238), wk = 0.0025510 k( 105) = ( -0.2120754 0.2120754 0.3315913), wk = 0.0025510 k( 106) = ( -0.2175080 0.2175080 0.3261587), wk = 0.0025510 k( 107) = ( -0.2229405 0.2229405 0.3207262), wk = 0.0025510 k( 108) = ( -0.2283730 0.2283730 0.3152937), wk = 0.0025510 k( 109) = ( -0.2338056 0.2338056 0.3098611), wk = 0.0025510 k( 110) = ( -0.2392381 0.2392381 0.3044286), wk = 0.0025510 k( 111) = ( -0.2446707 0.2446707 0.2989961), wk = 0.0025510 k( 112) = ( -0.2501032 0.2501032 0.2935635), wk = 0.0025510 k( 113) = ( -0.2555357 0.2555357 0.2881310), wk = 0.0025510 k( 114) = ( -0.2609683 0.2609683 0.2826984), wk = 0.0025510 k( 115) = ( -0.2664008 0.2664008 0.2772659), wk = 0.0025510 k( 116) = ( -0.2718333 0.2718334 0.2718334), wk = 0.0025510 k( 117) = ( -0.2718333 0.2718334 0.2718334), wk = 0.0025510 k( 118) = ( -0.2663967 0.2663967 0.2663967), wk = 0.0025510 k( 119) = ( -0.2609600 0.2609600 0.2609600), wk = 0.0025510 k( 120) = ( -0.2555233 0.2555234 0.2555233), wk = 0.0025510 k( 121) = ( -0.2500867 0.2500867 0.2500867), wk = 0.0025510 k( 122) = ( -0.2446500 0.2446500 0.2446500), wk = 0.0025510 k( 123) = ( -0.2392133 0.2392134 0.2392134), wk = 0.0025510 k( 124) = ( -0.2337767 0.2337767 0.2337767), wk = 0.0025510 k( 125) = ( -0.2283400 0.2283400 0.2283400), wk = 0.0025510 k( 126) = ( -0.2229034 0.2229033 0.2229034), wk = 0.0025510 k( 127) = ( -0.2174667 0.2174667 0.2174667), wk = 0.0025510 k( 128) = ( -0.2120300 0.2120300 0.2120300), wk = 0.0025510 k( 129) = ( -0.2065934 0.2065933 0.2065934), wk = 0.0025510 k( 130) = ( -0.2011567 0.2011567 0.2011567), wk = 0.0025510 k( 131) = ( -0.1957200 0.1957200 0.1957200), wk = 0.0025510 k( 132) = ( -0.1902833 0.1902833 0.1902834), wk = 0.0025510 k( 133) = ( -0.1848467 0.1848467 0.1848467), wk = 0.0025510 k( 134) = ( -0.1794100 0.1794100 0.1794100), wk = 0.0025510 k( 135) = ( -0.1739733 0.1739734 0.1739733), wk = 0.0025510 k( 136) = ( -0.1685367 0.1685367 0.1685367), wk = 0.0025510 k( 137) = ( -0.1631000 0.1631000 0.1631000), wk = 0.0025510 k( 138) = ( -0.1576633 0.1576633 0.1576633), wk = 0.0025510 k( 139) = ( -0.1522267 0.1522267 0.1522267), wk = 0.0025510 k( 140) = ( -0.1467900 0.1467900 0.1467900), wk = 0.0025510 k( 141) = ( -0.1413533 0.1413533 0.1413533), wk = 0.0025510 k( 142) = ( -0.1359167 0.1359167 0.1359167), wk = 0.0025510 k( 143) = ( -0.1304800 0.1304800 0.1304800), wk = 0.0025510 k( 144) = ( -0.1250433 0.1250433 0.1250433), wk = 0.0025510 k( 145) = ( -0.1196067 0.1196067 0.1196067), wk = 0.0025510 k( 146) = ( -0.1141700 0.1141700 0.1141700), wk = 0.0025510 k( 147) = ( -0.1087333 0.1087333 0.1087333), wk = 0.0025510 k( 148) = ( -0.1032967 0.1032967 0.1032967), wk = 0.0025510 k( 149) = ( -0.0978600 0.0978600 0.0978600), wk = 0.0025510 k( 150) = ( -0.0924233 0.0924233 0.0924233), wk = 0.0025510 k( 151) = ( -0.0869867 0.0869867 0.0869867), wk = 0.0025510 k( 152) = ( -0.0815500 0.0815500 0.0815500), wk = 0.0025510 k( 153) = ( -0.0761133 0.0761133 0.0761133), wk = 0.0025510 k( 154) = ( -0.0706767 0.0706767 0.0706767), wk = 0.0025510 k( 155) = ( -0.0652400 0.0652400 0.0652400), wk = 0.0025510 k( 156) = ( -0.0598033 0.0598033 0.0598033), wk = 0.0025510 k( 157) = ( -0.0543667 0.0543667 0.0543667), wk = 0.0025510 k( 158) = ( -0.0489300 0.0489300 0.0489300), wk = 0.0025510 k( 159) = ( -0.0434933 0.0434933 0.0434933), wk = 0.0025510 k( 160) = ( -0.0380567 0.0380567 0.0380567), wk = 0.0025510 k( 161) = ( -0.0326200 0.0326200 0.0326200), wk = 0.0025510 k( 162) = ( -0.0271833 0.0271833 0.0271833), wk = 0.0025510 k( 163) = ( -0.0217467 0.0217467 0.0217467), wk = 0.0025510 k( 164) = ( -0.0163100 0.0163100 0.0163100), wk = 0.0025510 k( 165) = ( -0.0108733 0.0108733 0.0108733), wk = 0.0025510 k( 166) = ( -0.0054367 0.0054367 0.0054367), wk = 0.0025510 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 169) = ( 0.0185185 0.0185185 -0.0185185), wk = 0.0025510 k( 170) = ( 0.0370370 0.0370370 -0.0370370), wk = 0.0025510 k( 171) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0025510 k( 172) = ( 0.0740741 0.0740741 -0.0740741), wk = 0.0025510 k( 173) = ( 0.0925926 0.0925926 -0.0925926), wk = 0.0025510 k( 174) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0025510 k( 175) = ( 0.1296296 0.1296296 -0.1296296), wk = 0.0025510 k( 176) = ( 0.1481482 0.1481481 -0.1481482), wk = 0.0025510 k( 177) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0025510 k( 178) = ( 0.1851852 0.1851852 -0.1851852), wk = 0.0025510 k( 179) = ( 0.2037037 0.2037037 -0.2037037), wk = 0.0025510 k( 180) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0025510 k( 181) = ( 0.2407407 0.2407407 -0.2407407), wk = 0.0025510 k( 182) = ( 0.2592593 0.2592593 -0.2592593), wk = 0.0025510 k( 183) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0025510 k( 184) = ( 0.2962963 0.2962963 -0.2962963), wk = 0.0025510 k( 185) = ( 0.3148148 0.3148148 -0.3148148), wk = 0.0025510 k( 186) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0025510 k( 187) = ( 0.3518519 0.3518519 -0.3518519), wk = 0.0025510 k( 188) = ( 0.3703704 0.3703704 -0.3703704), wk = 0.0025510 k( 189) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0025510 k( 190) = ( 0.4074074 0.4074074 -0.4074074), wk = 0.0025510 k( 191) = ( 0.4259259 0.4259259 -0.4259259), wk = 0.0025510 k( 192) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0025510 k( 193) = ( 0.4629630 0.4629630 -0.4629630), wk = 0.0025510 k( 194) = ( 0.4814815 0.4814815 -0.4814815), wk = 0.0025510 k( 195) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025510 k( 196) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025510 k( 197) = ( 0.4945675 0.5054325 -0.4945675), wk = 0.0025510 k( 198) = ( 0.4891349 0.5108651 -0.4891349), wk = 0.0025510 k( 199) = ( 0.4837024 0.5162976 -0.4837024), wk = 0.0025510 k( 200) = ( 0.4782698 0.5217302 -0.4782698), wk = 0.0025510 k( 201) = ( 0.4728373 0.5271627 -0.4728373), wk = 0.0025510 k( 202) = ( 0.4674048 0.5325952 -0.4674048), wk = 0.0025510 k( 203) = ( 0.4619722 0.5380278 -0.4619722), wk = 0.0025510 k( 204) = ( 0.4565397 0.5434603 -0.4565397), wk = 0.0025510 k( 205) = ( 0.4511072 0.5488928 -0.4511072), wk = 0.0025510 k( 206) = ( 0.4456746 0.5543254 -0.4456746), wk = 0.0025510 k( 207) = ( 0.4402421 0.5597579 -0.4402421), wk = 0.0025510 k( 208) = ( 0.4348095 0.5651905 -0.4348095), wk = 0.0025510 k( 209) = ( 0.4293770 0.5706230 -0.4293770), wk = 0.0025510 k( 210) = ( 0.4239444 0.5760555 -0.4239444), wk = 0.0025510 k( 211) = ( 0.4185119 0.5814881 -0.4185119), wk = 0.0025510 k( 212) = ( 0.4130794 0.5869206 -0.4130794), wk = 0.0025510 k( 213) = ( 0.4076468 0.5923532 -0.4076468), wk = 0.0025510 k( 214) = ( 0.4022143 0.5977857 -0.4022143), wk = 0.0025510 k( 215) = ( 0.3967817 0.6032182 -0.3967818), wk = 0.0025510 k( 216) = ( 0.3913492 0.6086508 -0.3913492), wk = 0.0025510 k( 217) = ( 0.3859167 0.6140833 -0.3859167), wk = 0.0025510 k( 218) = ( 0.3804841 0.6195159 -0.3804841), wk = 0.0025510 k( 219) = ( 0.3750516 0.6249484 -0.3750516), wk = 0.0025510 k( 220) = ( 0.3696191 0.6303809 -0.3696191), wk = 0.0025510 k( 221) = ( 0.3641865 0.6358135 -0.3641865), wk = 0.0025510 k( 222) = ( 0.3587540 0.6412460 -0.3587540), wk = 0.0025510 k( 223) = ( 0.3533214 0.6466786 -0.3533214), wk = 0.0025510 k( 224) = ( 0.3478889 0.6521111 -0.3478889), wk = 0.0025510 k( 225) = ( 0.3424564 0.6575436 -0.3424564), wk = 0.0025510 k( 226) = ( 0.3370238 0.6629762 -0.3370238), wk = 0.0025510 k( 227) = ( 0.3315913 0.6684087 -0.3315913), wk = 0.0025510 k( 228) = ( 0.3261587 0.6738413 -0.3261587), wk = 0.0025510 k( 229) = ( 0.3207262 0.6792738 -0.3207262), wk = 0.0025510 k( 230) = ( 0.3152937 0.6847063 -0.3152937), wk = 0.0025510 k( 231) = ( 0.3098611 0.6901389 -0.3098611), wk = 0.0025510 k( 232) = ( 0.3044286 0.6955714 -0.3044286), wk = 0.0025510 k( 233) = ( 0.2989961 0.7010040 -0.2989960), wk = 0.0025510 k( 234) = ( 0.2935635 0.7064365 -0.2935635), wk = 0.0025510 k( 235) = ( 0.2881310 0.7118690 -0.2881310), wk = 0.0025510 k( 236) = ( 0.2826984 0.7173016 -0.2826984), wk = 0.0025510 k( 237) = ( 0.2772659 0.7227341 -0.2772659), wk = 0.0025510 k( 238) = ( 0.2718333 0.7281666 -0.2718333), wk = 0.0025510 k( 239) = ( 0.2718333 0.7281666 -0.2718333), wk = 0.0025510 k( 240) = ( 0.2537111 0.7129555 -0.2537111), wk = 0.0025510 k( 241) = ( 0.2355889 0.6977444 -0.2355889), wk = 0.0025510 k( 242) = ( 0.2174667 0.6825333 -0.2174667), wk = 0.0025510 k( 243) = ( 0.1993445 0.6673222 -0.1993445), wk = 0.0025510 k( 244) = ( 0.1812222 0.6521111 -0.1812222), wk = 0.0025510 k( 245) = ( 0.1631000 0.6369000 -0.1631000), wk = 0.0025510 k( 246) = ( 0.1449778 0.6216889 -0.1449778), wk = 0.0025510 k( 247) = ( 0.1268556 0.6064778 -0.1268556), wk = 0.0025510 k( 248) = ( 0.1087333 0.5912667 -0.1087333), wk = 0.0025510 k( 249) = ( 0.0906111 0.5760555 -0.0906111), wk = 0.0025510 k( 250) = ( 0.0724889 0.5608444 -0.0724889), wk = 0.0025510 k( 251) = ( 0.0543667 0.5456333 -0.0543667), wk = 0.0025510 k( 252) = ( 0.0362444 0.5304222 -0.0362444), wk = 0.0025510 k( 253) = ( 0.0181222 0.5152111 -0.0181222), wk = 0.0025510 k( 254) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025510 k( 255) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025510 k( 256) = ( 0.0054348 0.4945652 0.0054348), wk = 0.0025510 k( 257) = ( 0.0108696 0.4891304 0.0108696), wk = 0.0025510 k( 258) = ( 0.0163043 0.4836956 0.0163044), wk = 0.0025510 k( 259) = ( 0.0217391 0.4782609 0.0217391), wk = 0.0025510 k( 260) = ( 0.0271739 0.4728261 0.0271739), wk = 0.0025510 k( 261) = ( 0.0326087 0.4673913 0.0326087), wk = 0.0025510 k( 262) = ( 0.0380435 0.4619565 0.0380435), wk = 0.0025510 k( 263) = ( 0.0434783 0.4565217 0.0434783), wk = 0.0025510 k( 264) = ( 0.0489130 0.4510870 0.0489130), wk = 0.0025510 k( 265) = ( 0.0543478 0.4456522 0.0543478), wk = 0.0025510 k( 266) = ( 0.0597826 0.4402174 0.0597826), wk = 0.0025510 k( 267) = ( 0.0652174 0.4347826 0.0652174), wk = 0.0025510 k( 268) = ( 0.0706522 0.4293478 0.0706522), wk = 0.0025510 k( 269) = ( 0.0760870 0.4239130 0.0760870), wk = 0.0025510 k( 270) = ( 0.0815217 0.4184783 0.0815217), wk = 0.0025510 k( 271) = ( 0.0869565 0.4130435 0.0869565), wk = 0.0025510 k( 272) = ( 0.0923913 0.4076087 0.0923913), wk = 0.0025510 k( 273) = ( 0.0978261 0.4021739 0.0978261), wk = 0.0025510 k( 274) = ( 0.1032609 0.3967391 0.1032609), wk = 0.0025510 k( 275) = ( 0.1086957 0.3913043 0.1086957), wk = 0.0025510 k( 276) = ( 0.1141304 0.3858696 0.1141304), wk = 0.0025510 k( 277) = ( 0.1195652 0.3804348 0.1195652), wk = 0.0025510 k( 278) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0025510 k( 279) = ( 0.1304348 0.3695652 0.1304348), wk = 0.0025510 k( 280) = ( 0.1358696 0.3641304 0.1358696), wk = 0.0025510 k( 281) = ( 0.1413043 0.3586956 0.1413044), wk = 0.0025510 k( 282) = ( 0.1467391 0.3532609 0.1467391), wk = 0.0025510 k( 283) = ( 0.1521739 0.3478261 0.1521739), wk = 0.0025510 k( 284) = ( 0.1576087 0.3423913 0.1576087), wk = 0.0025510 k( 285) = ( 0.1630435 0.3369565 0.1630435), wk = 0.0025510 k( 286) = ( 0.1684783 0.3315217 0.1684783), wk = 0.0025510 k( 287) = ( 0.1739130 0.3260870 0.1739130), wk = 0.0025510 k( 288) = ( 0.1793478 0.3206522 0.1793478), wk = 0.0025510 k( 289) = ( 0.1847826 0.3152174 0.1847826), wk = 0.0025510 k( 290) = ( 0.1902174 0.3097826 0.1902174), wk = 0.0025510 k( 291) = ( 0.1956522 0.3043478 0.1956522), wk = 0.0025510 k( 292) = ( 0.2010870 0.2989130 0.2010870), wk = 0.0025510 k( 293) = ( 0.2065217 0.2934783 0.2065217), wk = 0.0025510 k( 294) = ( 0.2119565 0.2880435 0.2119565), wk = 0.0025510 k( 295) = ( 0.2173913 0.2826087 0.2173913), wk = 0.0025510 k( 296) = ( 0.2228261 0.2771739 0.2228261), wk = 0.0025510 k( 297) = ( 0.2282609 0.2717391 0.2282609), wk = 0.0025510 k( 298) = ( 0.2336957 0.2663044 0.2336956), wk = 0.0025510 k( 299) = ( 0.2391304 0.2608696 0.2391304), wk = 0.0025510 k( 300) = ( 0.2445652 0.2554348 0.2445652), wk = 0.0025510 k( 301) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025510 k( 302) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025510 k( 303) = ( 0.2666667 0.2666667 0.2304222), wk = 0.0025510 k( 304) = ( 0.2833333 0.2833333 0.2108444), wk = 0.0025510 k( 305) = ( 0.3000000 0.3000000 0.1912667), wk = 0.0025510 k( 306) = ( 0.3166667 0.3166667 0.1716889), wk = 0.0025510 k( 307) = ( 0.3333333 0.3333333 0.1521111), wk = 0.0025510 k( 308) = ( 0.3500000 0.3500000 0.1325333), wk = 0.0025510 k( 309) = ( 0.3666667 0.3666667 0.1129555), wk = 0.0025510 k( 310) = ( 0.3833333 0.3833333 0.0933778), wk = 0.0025510 k( 311) = ( 0.4000000 0.4000000 0.0738000), wk = 0.0025510 k( 312) = ( 0.4166667 0.4166667 0.0542222), wk = 0.0025510 k( 313) = ( 0.4333333 0.4333333 0.0346444), wk = 0.0025510 k( 314) = ( 0.4500000 0.4500000 0.0150666), wk = 0.0025510 k( 315) = ( 0.4666667 0.4666667 -0.0045111), wk = 0.0025510 k( 316) = ( 0.4833333 0.4833333 -0.0240889), wk = 0.0025510 k( 317) = ( 0.5000000 0.5000000 -0.0436667), wk = 0.0025510 k( 318) = ( 0.5000000 0.5000000 -0.0436667), wk = 0.0025510 k( 319) = ( 0.5000000 0.5000000 -0.0514012), wk = 0.0025510 k( 320) = ( 0.5000000 0.5000000 -0.0591356), wk = 0.0025510 k( 321) = ( 0.5000000 0.5000000 -0.0668701), wk = 0.0025510 k( 322) = ( 0.5000000 0.5000000 -0.0746046), wk = 0.0025510 k( 323) = ( 0.5000000 0.5000000 -0.0823390), wk = 0.0025510 k( 324) = ( 0.5000000 0.5000000 -0.0900735), wk = 0.0025510 k( 325) = ( 0.5000000 0.5000000 -0.0978079), wk = 0.0025510 k( 326) = ( 0.5000000 0.5000000 -0.1055424), wk = 0.0025510 k( 327) = ( 0.5000000 0.5000000 -0.1132769), wk = 0.0025510 k( 328) = ( 0.5000000 0.5000000 -0.1210113), wk = 0.0025510 k( 329) = ( 0.5000000 0.5000000 -0.1287458), wk = 0.0025510 k( 330) = ( 0.5000000 0.5000000 -0.1364803), wk = 0.0025510 k( 331) = ( 0.5000000 0.5000000 -0.1442147), wk = 0.0025510 k( 332) = ( 0.5000000 0.5000000 -0.1519492), wk = 0.0025510 k( 333) = ( 0.5000000 0.5000000 -0.1596836), wk = 0.0025510 k( 334) = ( 0.5000000 0.5000000 -0.1674181), wk = 0.0025510 k( 335) = ( 0.5000000 0.5000000 -0.1751526), wk = 0.0025510 k( 336) = ( 0.5000000 0.5000000 -0.1828870), wk = 0.0025510 k( 337) = ( 0.5000000 0.5000000 -0.1906215), wk = 0.0025510 k( 338) = ( 0.5000000 0.5000000 -0.1983560), wk = 0.0025510 k( 339) = ( 0.5000000 0.5000000 -0.2060904), wk = 0.0025510 k( 340) = ( 0.5000000 0.5000000 -0.2138249), wk = 0.0025510 k( 341) = ( 0.5000000 0.5000000 -0.2215593), wk = 0.0025510 k( 342) = ( 0.5000000 0.5000000 -0.2292938), wk = 0.0025510 k( 343) = ( 0.5000000 0.5000000 -0.2370283), wk = 0.0025510 k( 344) = ( 0.5000000 0.5000000 -0.2447627), wk = 0.0025510 k( 345) = ( 0.5000000 0.5000000 -0.2524972), wk = 0.0025510 k( 346) = ( 0.5000000 0.5000000 -0.2602317), wk = 0.0025510 k( 347) = ( 0.5000000 0.5000000 -0.2679661), wk = 0.0025510 k( 348) = ( 0.5000000 0.5000000 -0.2757006), wk = 0.0025510 k( 349) = ( 0.5000000 0.5000000 -0.2834351), wk = 0.0025510 k( 350) = ( 0.5000000 0.5000000 -0.2911695), wk = 0.0025510 k( 351) = ( 0.5000000 0.5000000 -0.2989040), wk = 0.0025510 k( 352) = ( 0.5000000 0.5000000 -0.3066384), wk = 0.0025510 k( 353) = ( 0.5000000 0.5000000 -0.3143729), wk = 0.0025510 k( 354) = ( 0.5000000 0.5000000 -0.3221074), wk = 0.0025510 k( 355) = ( 0.5000000 0.5000000 -0.3298418), wk = 0.0025510 k( 356) = ( 0.5000000 0.5000000 -0.3375763), wk = 0.0025510 k( 357) = ( 0.5000000 0.5000000 -0.3453107), wk = 0.0025510 k( 358) = ( 0.5000000 0.5000000 -0.3530452), wk = 0.0025510 k( 359) = ( 0.5000000 0.5000000 -0.3607797), wk = 0.0025510 k( 360) = ( 0.5000000 0.5000000 -0.3685141), wk = 0.0025510 k( 361) = ( 0.5000000 0.5000000 -0.3762486), wk = 0.0025510 k( 362) = ( 0.5000000 0.5000000 -0.3839831), wk = 0.0025510 k( 363) = ( 0.5000000 0.5000000 -0.3917175), wk = 0.0025510 k( 364) = ( 0.5000000 0.5000000 -0.3994520), wk = 0.0025510 k( 365) = ( 0.5000000 0.5000000 -0.4071865), wk = 0.0025510 k( 366) = ( 0.5000000 0.5000000 -0.4149209), wk = 0.0025510 k( 367) = ( 0.5000000 0.5000000 -0.4226554), wk = 0.0025510 k( 368) = ( 0.5000000 0.5000000 -0.4303898), wk = 0.0025510 k( 369) = ( 0.5000000 0.5000000 -0.4381243), wk = 0.0025510 k( 370) = ( 0.5000000 0.5000000 -0.4458588), wk = 0.0025510 k( 371) = ( 0.5000000 0.5000000 -0.4535932), wk = 0.0025510 k( 372) = ( 0.5000000 0.5000000 -0.4613277), wk = 0.0025510 k( 373) = ( 0.5000000 0.5000000 -0.4690622), wk = 0.0025510 k( 374) = ( 0.5000000 0.5000000 -0.4767966), wk = 0.0025510 k( 375) = ( 0.5000000 0.5000000 -0.4845311), wk = 0.0025510 k( 376) = ( 0.5000000 0.5000000 -0.4922655), wk = 0.0025510 k( 377) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025510 k( 378) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510 k( 379) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0025510 k( 380) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0025510 k( 381) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0025510 k( 382) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0025510 k( 383) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0025510 k( 384) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0025510 k( 385) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0025510 k( 386) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0025510 k( 387) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0025510 k( 388) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0025510 k( 389) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0025510 k( 390) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0025510 k( 391) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0025510 k( 392) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025510 Dense grid: 34437 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 21125 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 108, 44) NL pseudopotentials 0.08 Mb ( 54, 96) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 717) G-vector shells 0.00 Mb ( 343) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.29 Mb ( 108, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.13 Mb ( 96, 2, 44) The potential is recalculated from file : ./NbAs.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.0 secs Computing kpt #: 2 total cpu time spent up to now is 45.8 secs Computing kpt #: 3 total cpu time spent up to now is 47.4 secs Computing kpt #: 4 total cpu time spent up to now is 50.1 secs Computing kpt #: 5 total cpu time spent up to now is 51.8 secs Computing kpt #: 6 total cpu time spent up to now is 53.4 secs Computing kpt #: 7 total cpu time spent up to now is 54.9 secs Computing kpt #: 8 total cpu time spent up to now is 56.4 secs Computing kpt #: 9 total cpu time spent up to now is 57.9 secs Computing kpt #: 10 total cpu time spent up to now is 59.4 secs Computing kpt #: 11 total cpu time spent up to now is 61.0 secs Computing kpt #: 12 total cpu time spent up to now is 63.1 secs Computing kpt #: 13 total cpu time spent up to now is 64.5 secs Computing kpt #: 14 total cpu time spent up to now is 66.4 secs Computing kpt #: 15 total cpu time spent up to now is 67.8 secs Computing kpt #: 16 total cpu time spent up to now is 69.4 secs Computing kpt #: 17 total cpu time spent up to now is 70.9 secs Computing kpt #: 18 total cpu time spent up to now is 72.4 secs Computing kpt #: 19 total cpu time spent up to now is 73.8 secs Computing kpt #: 20 total cpu time spent up to now is 75.3 secs Computing kpt #: 21 total cpu time spent up to now is 77.0 secs Computing kpt #: 22 total cpu time spent up to now is 78.8 secs Computing kpt #: 23 total cpu time spent up to now is 80.3 secs Computing kpt #: 24 total cpu time spent up to now is 81.5 secs Computing kpt #: 25 total cpu time spent up to now is 82.8 secs Computing kpt #: 26 total cpu time spent up to now is 84.1 secs Computing kpt #: 27 total cpu time spent up to now is 85.4 secs Computing kpt #: 28 total cpu time spent up to now is 87.0 secs Computing kpt #: 29 total cpu time spent up to now is 88.5 secs Computing kpt #: 30 total cpu time spent up to now is 90.3 secs Computing kpt #: 31 total cpu time spent up to now is 92.0 secs Computing kpt #: 32 total cpu time spent up to now is 93.3 secs Computing kpt #: 33 total cpu time spent up to now is 94.6 secs Computing kpt #: 34 total cpu time spent up to now is 95.9 secs Computing kpt #: 35 total cpu time spent up to now is 97.5 secs Computing kpt #: 36 total cpu time spent up to now is 99.0 secs Computing kpt #: 37 total cpu time spent up to now is 100.6 secs Computing kpt #: 38 total cpu time spent up to now is 102.3 secs Computing kpt #: 39 total cpu time spent up to now is 104.2 secs Computing kpt #: 40 total cpu time spent up to now is 105.7 secs Computing kpt #: 41 total cpu time spent up to now is 107.7 secs Computing kpt #: 42 total cpu time spent up to now is 109.2 secs Computing kpt #: 43 total cpu time spent up to now is 110.7 secs Computing kpt #: 44 total cpu time spent up to now is 112.2 secs Computing kpt #: 45 total cpu time spent up to now is 113.7 secs Computing kpt #: 46 total cpu time spent up to now is 115.4 secs Computing kpt #: 47 total cpu time spent up to now is 116.9 secs Computing kpt #: 48 total cpu time spent up to now is 118.8 secs Computing kpt #: 49 total cpu time spent up to now is 121.3 secs Computing kpt #: 50 total cpu time spent up to now is 122.9 secs Computing kpt #: 51 total cpu time spent up to now is 124.7 secs Computing kpt #: 52 total cpu time spent up to now is 127.1 secs Computing kpt #: 53 total cpu time spent up to now is 129.6 secs Computing kpt #: 54 total cpu time spent up to now is 131.7 secs Computing kpt #: 55 total cpu time spent up to now is 133.6 secs Computing kpt #: 56 total cpu time spent up to now is 135.9 secs Computing kpt #: 57 total cpu time spent up to now is 137.8 secs Computing kpt #: 58 total cpu time spent up to now is 139.7 secs Computing kpt #: 59 total cpu time spent up to now is 141.5 secs Computing kpt #: 60 total cpu time spent up to now is 143.2 secs Computing kpt #: 61 total cpu time spent up to now is 144.7 secs Computing kpt #: 62 total cpu time spent up to now is 146.3 secs Computing kpt #: 63 total cpu time spent up to now is 147.8 secs Computing kpt #: 64 total cpu time spent up to now is 149.4 secs Computing kpt #: 65 total cpu time spent up to now is 150.8 secs Computing kpt #: 66 total cpu time spent up to now is 152.1 secs Computing kpt #: 67 total cpu time spent up to now is 153.4 secs Computing kpt #: 68 total cpu time spent up to now is 154.7 secs Computing kpt #: 69 total cpu time spent up to now is 156.2 secs Computing kpt #: 70 total cpu time spent up to now is 157.7 secs Computing kpt #: 71 total cpu time spent up to now is 159.2 secs Computing kpt #: 72 total cpu time spent up to now is 160.7 secs Computing kpt #: 73 total cpu time spent up to now is 162.1 secs Computing kpt #: 74 total cpu time spent up to now is 163.6 secs Computing kpt #: 75 total cpu time spent up to now is 165.1 secs Computing kpt #: 76 total cpu time spent up to now is 166.5 secs Computing kpt #: 77 total cpu time spent up to now is 168.0 secs Computing kpt #: 78 total cpu time spent up to now is 170.1 secs Computing kpt #: 79 total cpu time spent up to now is 171.6 secs Computing kpt #: 80 total cpu time spent up to now is 173.0 secs Computing kpt #: 81 total cpu time spent up to now is 174.6 secs Computing kpt #: 82 total cpu time spent up to now is 176.3 secs Computing kpt #: 83 total cpu time spent up to now is 177.9 secs Computing kpt #: 84 total cpu time spent up to now is 179.4 secs Computing kpt #: 85 total cpu time spent up to now is 180.8 secs Computing kpt #: 86 total cpu time spent up to now is 182.4 secs Computing kpt #: 87 total cpu time spent up to now is 183.8 secs Computing kpt #: 88 total cpu time spent up to now is 185.4 secs Computing kpt #: 89 total cpu time spent up to now is 186.8 secs Computing kpt #: 90 total cpu time spent up to now is 188.6 secs Computing kpt #: 91 total cpu time spent up to now is 190.4 secs Computing kpt #: 92 total cpu time spent up to now is 191.8 secs Computing kpt #: 93 total cpu time spent up to now is 193.3 secs Computing kpt #: 94 total cpu time spent up to now is 194.8 secs Computing kpt #: 95 total cpu time spent up to now is 196.4 secs Computing kpt #: 96 total cpu time spent up to now is 197.8 secs Computing kpt #: 97 total cpu time spent up to now is 199.3 secs Computing kpt #: 98 total cpu time spent up to now is 200.8 secs Computing kpt #: 99 total cpu time spent up to now is 202.6 secs Computing kpt #: 100 total cpu time spent up to now is 204.3 secs Computing kpt #: 101 total cpu time spent up to now is 205.7 secs Computing kpt #: 102 total cpu time spent up to now is 207.2 secs Computing kpt #: 103 total cpu time spent up to now is 208.7 secs Computing kpt #: 104 total cpu time spent up to now is 210.2 secs Computing kpt #: 105 total cpu time spent up to now is 211.7 secs Computing kpt #: 106 total cpu time spent up to now is 213.2 secs Computing kpt #: 107 total cpu time spent up to now is 214.9 secs Computing kpt #: 108 total cpu time spent up to now is 216.4 secs Computing kpt #: 109 total cpu time spent up to now is 217.9 secs Computing kpt #: 110 total cpu time spent up to now is 219.7 secs Computing kpt #: 111 total cpu time spent up to now is 221.4 secs Computing kpt #: 112 total cpu time spent up to now is 223.2 secs Computing kpt #: 113 total cpu time spent up to now is 225.0 secs Computing kpt #: 114 total cpu time spent up to now is 226.5 secs Computing kpt #: 115 total cpu time spent up to now is 227.9 secs Computing kpt #: 116 total cpu time spent up to now is 229.7 secs Computing kpt #: 117 total cpu time spent up to now is 231.2 secs Computing kpt #: 118 total cpu time spent up to now is 232.6 secs Computing kpt #: 119 total cpu time spent up to now is 234.2 secs Computing kpt #: 120 total cpu time spent up to now is 235.9 secs Computing kpt #: 121 total cpu time spent up to now is 237.7 secs Computing kpt #: 122 total cpu time spent up to now is 239.2 secs Computing kpt #: 123 total cpu time spent up to now is 240.7 secs Computing kpt #: 124 total cpu time spent up to now is 242.1 secs Computing kpt #: 125 total cpu time spent up to now is 243.5 secs Computing kpt #: 126 total cpu time spent up to now is 245.0 secs Computing kpt #: 127 total cpu time spent up to now is 246.6 secs Computing kpt #: 128 total cpu time spent up to now is 248.1 secs Computing kpt #: 129 total cpu time spent up to now is 249.8 secs Computing kpt #: 130 total cpu time spent up to now is 251.8 secs Computing kpt #: 131 total cpu time spent up to now is 253.3 secs Computing kpt #: 132 total cpu time spent up to now is 254.7 secs Computing kpt #: 133 total cpu time spent up to now is 256.4 secs Computing kpt #: 134 total cpu time spent up to now is 257.9 secs Computing kpt #: 135 total cpu time spent up to now is 259.5 secs Computing kpt #: 136 total cpu time spent up to now is 261.0 secs Computing kpt #: 137 total cpu time spent up to now is 262.4 secs Computing kpt #: 138 total cpu time spent up to now is 263.9 secs Computing kpt #: 139 total cpu time spent up to now is 265.6 secs Computing kpt #: 140 total cpu time spent up to now is 267.1 secs Computing kpt #: 141 total cpu time spent up to now is 268.6 secs Computing kpt #: 142 total cpu time spent up to now is 270.1 secs Computing kpt #: 143 total cpu time spent up to now is 271.6 secs Computing kpt #: 144 total cpu time spent up to now is 273.1 secs Computing kpt #: 145 total cpu time spent up to now is 274.6 secs Computing kpt #: 146 total cpu time spent up to now is 276.2 secs Computing kpt #: 147 total cpu time spent up to now is 278.0 secs Computing kpt #: 148 total cpu time spent up to now is 279.7 secs Computing kpt #: 149 total cpu time spent up to now is 282.0 secs Computing kpt #: 150 total cpu time spent up to now is 284.1 secs Computing kpt #: 151 total cpu time spent up to now is 286.0 secs Computing kpt #: 152 total cpu time spent up to now is 288.0 secs Computing kpt #: 153 total cpu time spent up to now is 289.9 secs Computing kpt #: 154 total cpu time spent up to now is 291.8 secs Computing kpt #: 155 total cpu time spent up to now is 293.4 secs Computing kpt #: 156 total cpu time spent up to now is 295.1 secs Computing kpt #: 157 total cpu time spent up to now is 296.7 secs Computing kpt #: 158 total cpu time spent up to now is 298.2 secs Computing kpt #: 159 total cpu time spent up to now is 300.2 secs Computing kpt #: 160 total cpu time spent up to now is 301.7 secs Computing kpt #: 161 total cpu time spent up to now is 303.3 secs Computing kpt #: 162 total cpu time spent up to now is 304.9 secs Computing kpt #: 163 total cpu time spent up to now is 306.9 secs Computing kpt #: 164 total cpu time spent up to now is 308.8 secs Computing kpt #: 165 total cpu time spent up to now is 311.1 secs Computing kpt #: 166 total cpu time spent up to now is 312.7 secs Computing kpt #: 167 total cpu time spent up to now is 314.8 secs Computing kpt #: 168 total cpu time spent up to now is 316.3 secs Computing kpt #: 169 total cpu time spent up to now is 317.9 secs Computing kpt #: 170 total cpu time spent up to now is 320.3 secs Computing kpt #: 171 total cpu time spent up to now is 321.8 secs Computing kpt #: 172 total cpu time spent up to now is 323.4 secs Computing kpt #: 173 total cpu time spent up to now is 325.2 secs Computing kpt #: 174 total cpu time spent up to now is 326.7 secs Computing kpt #: 175 total cpu time spent up to now is 328.2 secs Computing kpt #: 176 total cpu time spent up to now is 329.8 secs Computing kpt #: 177 total cpu time spent up to now is 331.5 secs Computing kpt #: 178 total cpu time spent up to now is 333.0 secs Computing kpt #: 179 total cpu time spent up to now is 334.5 secs Computing kpt #: 180 total cpu time spent up to now is 335.9 secs Computing kpt #: 181 total cpu time spent up to now is 337.4 secs Computing kpt #: 182 total cpu time spent up to now is 338.8 secs Computing kpt #: 183 total cpu time spent up to now is 340.4 secs Computing kpt #: 184 total cpu time spent up to now is 342.1 secs Computing kpt #: 185 total cpu time spent up to now is 343.4 secs Computing kpt #: 186 total cpu time spent up to now is 344.7 secs Computing kpt #: 187 total cpu time spent up to now is 345.9 secs Computing kpt #: 188 total cpu time spent up to now is 347.3 secs Computing kpt #: 189 total cpu time spent up to now is 348.6 secs Computing kpt #: 190 total cpu time spent up to now is 350.2 secs Computing kpt #: 191 total cpu time spent up to now is 351.6 secs Computing kpt #: 192 total cpu time spent up to now is 353.0 secs Computing kpt #: 193 total cpu time spent up to now is 354.7 secs Computing kpt #: 194 total cpu time spent up to now is 355.9 secs Computing kpt #: 195 total cpu time spent up to now is 357.1 secs Computing kpt #: 196 total cpu time spent up to now is 358.3 secs Computing kpt #: 197 total cpu time spent up to now is 359.5 secs Computing kpt #: 198 total cpu time spent up to now is 360.8 secs Computing kpt #: 199 total cpu time spent up to now is 362.1 secs Computing kpt #: 200 total cpu time spent up to now is 363.9 secs Computing kpt #: 201 total cpu time spent up to now is 365.4 secs Computing kpt #: 202 total cpu time spent up to now is 366.9 secs Computing kpt #: 203 total cpu time spent up to now is 368.2 secs Computing kpt #: 204 total cpu time spent up to now is 369.5 secs Computing kpt #: 205 total cpu time spent up to now is 370.7 secs Computing kpt #: 206 total cpu time spent up to now is 372.3 secs Computing kpt #: 207 total cpu time spent up to now is 373.9 secs Computing kpt #: 208 total cpu time spent up to now is 375.1 secs Computing kpt #: 209 total cpu time spent up to now is 376.5 secs Computing kpt #: 210 total cpu time spent up to now is 378.1 secs Computing kpt #: 211 total cpu time spent up to now is 380.3 secs Computing kpt #: 212 total cpu time spent up to now is 381.7 secs Computing kpt #: 213 total cpu time spent up to now is 383.6 secs Computing kpt #: 214 total cpu time spent up to now is 386.9 secs Computing kpt #: 215 total cpu time spent up to now is 388.3 secs Computing kpt #: 216 total cpu time spent up to now is 389.8 secs Computing kpt #: 217 total cpu time spent up to now is 392.0 secs Computing kpt #: 218 total cpu time spent up to now is 393.7 secs Computing kpt #: 219 total cpu time spent up to now is 395.2 secs Computing kpt #: 220 total cpu time spent up to now is 396.8 secs Computing kpt #: 221 total cpu time spent up to now is 398.4 secs Computing kpt #: 222 total cpu time spent up to now is 399.9 secs Computing kpt #: 223 total cpu time spent up to now is 401.3 secs Computing kpt #: 224 total cpu time spent up to now is 402.7 secs Computing kpt #: 225 total cpu time spent up to now is 404.2 secs Computing kpt #: 226 total cpu time spent up to now is 405.7 secs Computing kpt #: 227 total cpu time spent up to now is 407.2 secs Computing kpt #: 228 total cpu time spent up to now is 408.6 secs Computing kpt #: 229 total cpu time spent up to now is 410.2 secs Computing kpt #: 230 total cpu time spent up to now is 411.6 secs Computing kpt #: 231 total cpu time spent up to now is 413.1 secs Computing kpt #: 232 total cpu time spent up to now is 414.5 secs Computing kpt #: 233 total cpu time spent up to now is 416.2 secs Computing kpt #: 234 total cpu time spent up to now is 417.7 secs Computing kpt #: 235 total cpu time spent up to now is 419.2 secs Computing kpt #: 236 total cpu time spent up to now is 420.7 secs Computing kpt #: 237 total cpu time spent up to now is 422.3 secs Computing kpt #: 238 total cpu time spent up to now is 424.0 secs Computing kpt #: 239 total cpu time spent up to now is 425.7 secs Computing kpt #: 240 total cpu time spent up to now is 427.2 secs Computing kpt #: 241 total cpu time spent up to now is 428.6 secs Computing kpt #: 242 total cpu time spent up to now is 430.3 secs Computing kpt #: 243 total cpu time spent up to now is 432.9 secs Computing kpt #: 244 total cpu time spent up to now is 434.3 secs Computing kpt #: 245 total cpu time spent up to now is 435.8 secs Computing kpt #: 246 total cpu time spent up to now is 437.3 secs Computing kpt #: 247 total cpu time spent up to now is 438.7 secs Computing kpt #: 248 total cpu time spent up to now is 440.2 secs Computing kpt #: 249 total cpu time spent up to now is 442.0 secs Computing kpt #: 250 total cpu time spent up to now is 443.4 secs Computing kpt #: 251 total cpu time spent up to now is 444.9 secs Computing kpt #: 252 total cpu time spent up to now is 446.3 secs Computing kpt #: 253 total cpu time spent up to now is 448.0 secs Computing kpt #: 254 total cpu time spent up to now is 449.4 secs Computing kpt #: 255 total cpu time spent up to now is 450.8 secs Computing kpt #: 256 total cpu time spent up to now is 452.5 secs Computing kpt #: 257 total cpu time spent up to now is 454.6 secs Computing kpt #: 258 total cpu time spent up to now is 456.1 secs Computing kpt #: 259 total cpu time spent up to now is 457.5 secs Computing kpt #: 260 total cpu time spent up to now is 459.2 secs Computing kpt #: 261 total cpu time spent up to now is 460.7 secs Computing kpt #: 262 total cpu time spent up to now is 462.4 secs Computing kpt #: 263 total cpu time spent up to now is 464.8 secs Computing kpt #: 264 total cpu time spent up to now is 466.3 secs Computing kpt #: 265 total cpu time spent up to now is 467.8 secs Computing kpt #: 266 total cpu time spent up to now is 469.3 secs Computing kpt #: 267 total cpu time spent up to now is 470.8 secs Computing kpt #: 268 total cpu time spent up to now is 472.3 secs Computing kpt #: 269 total cpu time spent up to now is 473.7 secs Computing kpt #: 270 total cpu time spent up to now is 475.8 secs Computing kpt #: 271 total cpu time spent up to now is 477.2 secs Computing kpt #: 272 total cpu time spent up to now is 479.0 secs Computing kpt #: 273 total cpu time spent up to now is 480.7 secs Computing kpt #: 274 total cpu time spent up to now is 482.3 secs Computing kpt #: 275 total cpu time spent up to now is 484.0 secs Computing kpt #: 276 total cpu time spent up to now is 485.4 secs Computing kpt #: 277 total cpu time spent up to now is 486.9 secs Computing kpt #: 278 total cpu time spent up to now is 488.4 secs Computing kpt #: 279 total cpu time spent up to now is 489.8 secs Computing kpt #: 280 total cpu time spent up to now is 491.6 secs Computing kpt #: 281 total cpu time spent up to now is 493.3 secs Computing kpt #: 282 total cpu time spent up to now is 495.3 secs Computing kpt #: 283 total cpu time spent up to now is 497.4 secs Computing kpt #: 284 total cpu time spent up to now is 499.0 secs Computing kpt #: 285 total cpu time spent up to now is 501.0 secs Computing kpt #: 286 total cpu time spent up to now is 502.5 secs Computing kpt #: 287 total cpu time spent up to now is 504.2 secs Computing kpt #: 288 total cpu time spent up to now is 505.6 secs Computing kpt #: 289 total cpu time spent up to now is 507.1 secs Computing kpt #: 290 total cpu time spent up to now is 508.5 secs Computing kpt #: 291 total cpu time spent up to now is 510.0 secs Computing kpt #: 292 total cpu time spent up to now is 511.5 secs Computing kpt #: 293 total cpu time spent up to now is 513.2 secs Computing kpt #: 294 total cpu time spent up to now is 514.9 secs Computing kpt #: 295 total cpu time spent up to now is 516.5 secs Computing kpt #: 296 total cpu time spent up to now is 518.1 secs Computing kpt #: 297 total cpu time spent up to now is 519.8 secs Computing kpt #: 298 total cpu time spent up to now is 521.2 secs Computing kpt #: 299 total cpu time spent up to now is 523.1 secs Computing kpt #: 300 total cpu time spent up to now is 524.5 secs Computing kpt #: 301 total cpu time spent up to now is 526.0 secs Computing kpt #: 302 total cpu time spent up to now is 527.6 secs Computing kpt #: 303 total cpu time spent up to now is 529.2 secs Computing kpt #: 304 total cpu time spent up to now is 531.2 secs Computing kpt #: 305 total cpu time spent up to now is 532.7 secs Computing kpt #: 306 total cpu time spent up to now is 534.1 secs Computing kpt #: 307 total cpu time spent up to now is 535.5 secs Computing kpt #: 308 total cpu time spent up to now is 537.1 secs Computing kpt #: 309 total cpu time spent up to now is 538.7 secs Computing kpt #: 310 total cpu time spent up to now is 540.4 secs Computing kpt #: 311 total cpu time spent up to now is 541.9 secs Computing kpt #: 312 total cpu time spent up to now is 543.6 secs Computing kpt #: 313 total cpu time spent up to now is 545.2 secs Computing kpt #: 314 total cpu time spent up to now is 546.9 secs Computing kpt #: 315 total cpu time spent up to now is 548.4 secs Computing kpt #: 316 total cpu time spent up to now is 549.9 secs Computing kpt #: 317 total cpu time spent up to now is 551.9 secs Computing kpt #: 318 total cpu time spent up to now is 553.4 secs Computing kpt #: 319 total cpu time spent up to now is 555.5 secs Computing kpt #: 320 total cpu time spent up to now is 557.3 secs Computing kpt #: 321 total cpu time spent up to now is 558.8 secs Computing kpt #: 322 total cpu time spent up to now is 560.2 secs Computing kpt #: 323 total cpu time spent up to now is 561.6 secs Computing kpt #: 324 total cpu time spent up to now is 563.0 secs Computing kpt #: 325 total cpu time spent up to now is 564.6 secs Computing kpt #: 326 total cpu time spent up to now is 566.7 secs Computing kpt #: 327 total cpu time spent up to now is 568.4 secs Computing kpt #: 328 total cpu time spent up to now is 570.0 secs Computing kpt #: 329 total cpu time spent up to now is 572.4 secs Computing kpt #: 330 total cpu time spent up to now is 573.9 secs Computing kpt #: 331 total cpu time spent up to now is 575.3 secs Computing kpt #: 332 total cpu time spent up to now is 576.6 secs Computing kpt #: 333 total cpu time spent up to now is 577.9 secs Computing kpt #: 334 total cpu time spent up to now is 579.2 secs Computing kpt #: 335 total cpu time spent up to now is 580.5 secs Computing kpt #: 336 total cpu time spent up to now is 581.9 secs Computing kpt #: 337 total cpu time spent up to now is 583.2 secs Computing kpt #: 338 total cpu time spent up to now is 584.4 secs Computing kpt #: 339 total cpu time spent up to now is 585.7 secs Computing kpt #: 340 total cpu time spent up to now is 586.9 secs Computing kpt #: 341 total cpu time spent up to now is 588.1 secs Computing kpt #: 342 total cpu time spent up to now is 589.9 secs Computing kpt #: 343 total cpu time spent up to now is 591.6 secs Computing kpt #: 344 total cpu time spent up to now is 593.5 secs Computing kpt #: 345 total cpu time spent up to now is 594.9 secs Computing kpt #: 346 total cpu time spent up to now is 596.3 secs Computing kpt #: 347 total cpu time spent up to now is 598.0 secs Computing kpt #: 348 total cpu time spent up to now is 599.6 secs Computing kpt #: 349 total cpu time spent up to now is 600.8 secs Computing kpt #: 350 total cpu time spent up to now is 602.1 secs Computing kpt #: 351 total cpu time spent up to now is 603.3 secs Computing kpt #: 352 total cpu time spent up to now is 604.6 secs Computing kpt #: 353 total cpu time spent up to now is 605.9 secs Computing kpt #: 354 total cpu time spent up to now is 607.4 secs Computing kpt #: 355 total cpu time spent up to now is 608.6 secs Computing kpt #: 356 total cpu time spent up to now is 609.8 secs Computing kpt #: 357 total cpu time spent up to now is 611.1 secs Computing kpt #: 358 total cpu time spent up to now is 612.4 secs Computing kpt #: 359 total cpu time spent up to now is 613.9 secs Computing kpt #: 360 total cpu time spent up to now is 615.3 secs Computing kpt #: 361 total cpu time spent up to now is 617.8 secs Computing kpt #: 362 total cpu time spent up to now is 619.1 secs Computing kpt #: 363 total cpu time spent up to now is 620.3 secs Computing kpt #: 364 total cpu time spent up to now is 622.4 secs Computing kpt #: 365 total cpu time spent up to now is 623.6 secs Computing kpt #: 366 total cpu time spent up to now is 625.2 secs Computing kpt #: 367 total cpu time spent up to now is 626.7 secs Computing kpt #: 368 total cpu time spent up to now is 628.0 secs Computing kpt #: 369 total cpu time spent up to now is 629.2 secs Computing kpt #: 370 total cpu time spent up to now is 630.5 secs Computing kpt #: 371 total cpu time spent up to now is 631.7 secs Computing kpt #: 372 total cpu time spent up to now is 633.0 secs Computing kpt #: 373 total cpu time spent up to now is 634.5 secs Computing kpt #: 374 total cpu time spent up to now is 635.7 secs Computing kpt #: 375 total cpu time spent up to now is 636.9 secs Computing kpt #: 376 total cpu time spent up to now is 638.6 secs Computing kpt #: 377 total cpu time spent up to now is 640.3 secs Computing kpt #: 378 total cpu time spent up to now is 641.6 secs Computing kpt #: 379 total cpu time spent up to now is 642.9 secs Computing kpt #: 380 total cpu time spent up to now is 645.1 secs Computing kpt #: 381 total cpu time spent up to now is 647.5 secs Computing kpt #: 382 total cpu time spent up to now is 649.1 secs Computing kpt #: 383 total cpu time spent up to now is 650.6 secs Computing kpt #: 384 total cpu time spent up to now is 652.0 secs Computing kpt #: 385 total cpu time spent up to now is 653.5 secs Computing kpt #: 386 total cpu time spent up to now is 654.9 secs Computing kpt #: 387 total cpu time spent up to now is 656.3 secs Computing kpt #: 388 total cpu time spent up to now is 657.7 secs Computing kpt #: 389 total cpu time spent up to now is 659.2 secs Computing kpt #: 390 total cpu time spent up to now is 661.0 secs Computing kpt #: 391 total cpu time spent up to now is 662.8 secs Computing kpt #: 392 total cpu time spent up to now is 665.1 secs ethr = 2.78E-11, avg # of iterations = 23.3 total cpu time spent up to now is 665.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2633 PWs) bands (ev): -40.5890 -40.5890 -40.5611 -40.5611 -18.1677 -18.1677 -18.0697 -18.0697 -16.1528 -16.1528 -16.0207 -16.0207 -15.9740 -15.9740 -15.8918 -15.8918 1.2462 1.2462 3.5250 3.5250 8.2578 8.2578 11.6369 11.6369 12.1624 12.1624 12.2792 12.2792 12.4419 12.4419 12.8254 12.8254 13.0323 13.0323 13.1713 13.1713 15.1946 15.1946 15.8159 15.8159 16.8921 16.8921 17.4783 17.4783 k = 0.0000 0.0000 0.0199 ( 2641 PWs) bands (ev): -40.5890 -40.5890 -40.5612 -40.5612 -18.1681 -18.1675 -18.0698 -18.0697 -16.1536 -16.1521 -16.0217 -16.0200 -15.9745 -15.9737 -15.8926 -15.8911 1.2476 1.2478 3.5241 3.5267 8.2570 8.2605 11.6313 11.6343 12.1628 12.1637 12.2756 12.2821 12.4404 12.4425 12.8197 12.8211 13.0346 13.0347 13.1717 13.1721 15.1906 15.1938 15.8107 15.8155 16.8901 16.8923 17.4733 17.4821 k = 0.0000 0.0000 0.0399 ( 2639 PWs) bands (ev): -40.5890 -40.5890 -40.5611 -40.5611 -18.1685 -18.1673 -18.0701 -18.0698 -16.1544 -16.1513 -16.0228 -16.0195 -15.9752 -15.9736 -15.8935 -15.8906 1.2520 1.2523 3.5242 3.5293 8.2580 8.2650 11.6177 11.6237 12.1646 12.1663 12.2716 12.2845 12.4378 12.4420 12.8049 12.8075 13.0408 13.0408 13.1737 13.1741 15.1818 15.1883 15.7999 15.8094 16.8867 16.8908 17.4641 17.4837 k = 0.0000 0.0000 0.0598 ( 2633 PWs) bands (ev): -40.5889 -40.5889 -40.5609 -40.5609 -18.1689 -18.1671 -18.0706 -18.0701 -16.1552 -16.1505 -16.0242 -16.0192 -15.9761 -15.9738 -15.8945 -15.8901 1.2593 1.2597 3.5252 3.5328 8.2608 8.2713 11.5970 11.6057 12.1667 12.1689 12.2675 12.2866 12.4332 12.4396 12.7832 12.7865 13.0483 13.0492 13.1782 13.1788 15.1684 15.1781 15.7836 15.7977 16.8824 16.8880 17.4490 17.4737 k = 0.0000 0.0000 0.0798 ( 2629 PWs) bands (ev): -40.5888 -40.5888 -40.5607 -40.5607 -18.1694 -18.1670 -18.0711 -18.0705 -16.1560 -16.1496 -16.0257 -16.0191 -15.9772 -15.9741 -15.8956 -15.8897 1.2695 1.2700 3.5270 3.5372 8.2656 8.2795 11.5698 11.5811 12.1673 12.1702 12.2637 12.2887 12.4258 12.4344 12.7571 12.7608 13.0552 13.0580 13.1855 13.1884 15.1502 15.1632 15.7618 15.7802 16.8777 16.8844 17.4279 17.4539 k = 0.0000 0.0000 0.0997 ( 2629 PWs) bands (ev): -40.5885 -40.5885 -40.5608 -40.5607 -18.1699 -18.1669 -18.0719 -18.0711 -16.1567 -16.1488 -16.0275 -16.0192 -15.9786 -15.9747 -15.8968 -15.8895 1.2826 1.2833 3.5297 3.5424 8.2723 8.2895 11.5372 11.5507 12.1650 12.1688 12.2598 12.2901 12.4141 12.4252 12.7289 12.7325 13.0610 13.0669 13.1970 13.2033 15.1275 15.1438 15.7347 15.7571 16.8733 16.8807 17.4018 17.4279 k = 0.0000 0.0000 0.1197 ( 2625 PWs) bands (ev): -40.5883 -40.5883 -40.5606 -40.5606 -18.1705 -18.1669 -18.0727 -18.0717 -16.1575 -16.1480 -16.0295 -16.0195 -15.9801 -15.9754 -15.8981 -15.8893 1.2986 1.2994 3.5333 3.5484 8.2809 8.3014 11.4997 11.5154 12.1588 12.1640 12.2544 12.2893 12.3969 12.4110 12.7011 12.7041 13.0668 13.0766 13.2125 13.2231 15.1004 15.1201 15.7023 15.7283 16.8700 16.8775 17.3714 17.3971 k = 0.0000 0.0000 0.1396 ( 2629 PWs) bands (ev): -40.5881 -40.5881 -40.5605 -40.5605 -18.1711 -18.1670 -18.0737 -18.0726 -16.1583 -16.1472 -16.0316 -16.0200 -15.9819 -15.9763 -15.8995 -15.8893 1.3174 1.3184 3.5377 3.5551 8.2916 8.3152 11.4582 11.4759 12.1485 12.1555 12.2449 12.2837 12.3735 12.3909 12.6764 12.6784 13.0743 13.0884 13.2319 13.2470 15.0694 15.0924 15.6648 15.6941 16.8683 16.8756 17.3374 17.3621 k = 0.0000 0.0000 0.1596 ( 2633 PWs) bands (ev): -40.5879 -40.5879 -40.5604 -40.5604 -18.1718 -18.1671 -18.0749 -18.0736 -16.1591 -16.1463 -16.0339 -16.0208 -15.9839 -15.9775 -15.9010 -15.8894 1.3391 1.3402 3.5428 3.5625 8.3044 8.3311 11.4130 11.4326 12.1342 12.1432 12.2283 12.2702 12.3436 12.3644 12.6577 12.6582 13.0853 13.1038 13.2543 13.2739 15.0348 15.0614 15.6223 15.6547 16.8686 16.8753 17.3004 17.3236 k = 0.0000 0.0000 0.1795 ( 2635 PWs) bands (ev): -40.5876 -40.5876 -40.5602 -40.5602 -18.1725 -18.1673 -18.0762 -18.0747 -16.1599 -16.1455 -16.0364 -16.0217 -15.9861 -15.9787 -15.9025 -15.8896 1.3634 1.3647 3.5487 3.5705 8.3193 8.3489 11.3646 11.3860 12.1156 12.1267 12.2030 12.2467 12.3075 12.3311 12.6457 12.6472 13.1009 13.1236 13.2792 13.3031 14.9975 15.0276 15.5753 15.6104 16.8713 16.8770 17.2607 17.2822 k = 0.0000 0.0000 0.1995 ( 2639 PWs) bands (ev): -40.5874 -40.5874 -40.5601 -40.5601 -18.1733 -18.1675 -18.0776 -18.0759 -16.1606 -16.1446 -16.0391 -16.0229 -15.9885 -15.9802 -15.9042 -15.8899 1.3905 1.3920 3.5552 3.5792 8.3364 8.3688 11.3131 11.3363 12.0917 12.1046 12.1692 12.2133 12.2664 12.2913 12.6421 12.6456 13.1213 13.1482 13.3061 13.3340 14.9580 14.9919 15.5240 15.5615 16.8765 16.8810 17.2187 17.2383 k = 0.0000 0.0000 0.2194 ( 2643 PWs) bands (ev): -40.5871 -40.5871 -40.5599 -40.5599 -18.1741 -18.1678 -18.0791 -18.0773 -16.1614 -16.1437 -16.0420 -16.0242 -15.9910 -15.9818 -15.9058 -15.8904 1.4202 1.4219 3.5624 3.5884 8.3557 8.3909 11.2587 11.2836 12.0602 12.0743 12.1294 12.1727 12.2221 12.2464 12.6467 12.6521 13.1465 13.1774 13.3345 13.3662 14.9174 14.9552 15.4688 15.5086 16.8842 16.8874 17.1748 17.1924 k = 0.0000 0.0000 0.2394 ( 2638 PWs) bands (ev): -40.5867 -40.5867 -40.5596 -40.5596 -18.1749 -18.1681 -18.0808 -18.0788 -16.1622 -16.1428 -16.0450 -16.0257 -15.9938 -15.9835 -15.9076 -15.8909 1.4524 1.4543 3.5702 3.5980 8.3774 8.4150 11.2015 11.2280 12.0180 12.0321 12.0865 12.1283 12.1776 12.1994 12.6579 12.6647 13.1758 13.2107 13.3644 13.3992 14.8766 14.9186 15.4103 15.4523 16.8943 16.8959 17.1292 17.1446 k = 0.0000 0.0000 0.2593 ( 2630 PWs) bands (ev): -40.5861 -40.5861 -40.5593 -40.5593 -18.1758 -18.1684 -18.0825 -18.0803 -16.1630 -16.1419 -16.0481 -16.0275 -15.9967 -15.9853 -15.9094 -15.8915 1.4872 1.4893 3.5785 3.6080 8.4015 8.4414 11.1416 11.1695 11.9642 11.9762 12.0408 12.0810 12.1372 12.1541 12.6739 12.6816 13.2086 13.2474 13.3953 13.4328 14.8368 14.8832 15.3490 15.3931 16.9066 16.9067 17.0822 17.0954 k = 0.0000 0.0000 0.2793 ( 2626 PWs) bands (ev): -40.5856 -40.5856 -40.5590 -40.5590 -18.1767 -18.1689 -18.0844 -18.0820 -16.1639 -16.1410 -16.0514 -16.0294 -15.9998 -15.9873 -15.9113 -15.8922 1.5243 1.5268 3.5872 3.6184 8.4280 8.4700 11.0789 11.1081 11.9004 11.9087 11.9909 12.0296 12.1027 12.1131 12.6932 12.7012 13.2439 13.2865 13.4272 13.4667 14.7992 14.8502 15.2855 15.3316 16.9188 16.9209 17.0340 17.0452 k = 0.0000 0.0000 0.2992 ( 2630 PWs) bands (ev): -40.5852 -40.5852 -40.5588 -40.5588 -18.1776 -18.1694 -18.0864 -18.0838 -16.1647 -16.1401 -16.0549 -16.0315 -16.0030 -15.9894 -15.9133 -15.8931 1.5638 1.5665 3.5963 3.6290 8.4569 8.5008 11.0134 11.0437 11.8288 11.8329 11.9369 11.9754 12.0718 12.0766 12.7145 12.7223 13.2810 13.3272 13.4598 13.5006 14.7649 14.8208 15.2205 15.2685 16.9312 16.9361 16.9856 16.9954 k = 0.0000 0.0000 0.3192 ( 2642 PWs) bands (ev): -40.5848 -40.5848 -40.5587 -40.5587 -18.1786 -18.1699 -18.0885 -18.0858 -16.1656 -16.1392 -16.0585 -16.0337 -16.0064 -15.9915 -15.9153 -15.8940 1.6056 1.6086 3.6058 3.6398 8.4883 8.5338 10.9453 10.9764 11.7510 11.7512 11.8809 11.9203 12.0420 12.0427 12.7368 12.7438 13.3187 13.3685 13.4931 13.5343 14.7353 14.7963 15.1546 15.2045 16.9266 16.9288 16.9603 16.9631 k = 0.0000 0.0000 0.3391 ( 2642 PWs) bands (ev): -40.5842 -40.5842 -40.5585 -40.5585 -18.1797 -18.1705 -18.0907 -18.0878 -16.1665 -16.1382 -16.0622 -16.0362 -16.0099 -15.9937 -15.9173 -15.8951 1.6495 1.6527 3.6155 3.6506 8.5221 8.5691 10.8746 10.9063 11.6653 11.6683 11.8251 11.8656 12.0099 12.0121 12.7592 12.7647 13.3563 13.4094 13.5270 13.5677 14.7116 14.7779 15.0885 15.1402 16.8798 16.8801 16.9732 16.9772 k = 0.0000 0.0000 0.3591 ( 2634 PWs) bands (ev): -40.5836 -40.5836 -40.5581 -40.5581 -18.1807 -18.1711 -18.0930 -18.0899 -16.1674 -16.1372 -16.0660 -16.0387 -16.0135 -15.9960 -15.9194 -15.8962 1.6954 1.6990 3.6254 3.6616 8.5584 8.6066 10.8015 10.8335 11.5766 11.5820 11.7709 11.8122 11.9768 11.9812 12.7808 12.7844 13.3928 13.4489 13.5614 13.6006 14.6951 14.7666 15.0232 15.0764 16.8267 16.8279 16.9909 16.9975 k = 0.0000 0.0000 0.3790 ( 2632 PWs) bands (ev): -40.5830 -40.5830 -40.5577 -40.5577 -18.1817 -18.1717 -18.0954 -18.0921 -16.1683 -16.1363 -16.0700 -16.0415 -16.0172 -15.9983 -15.9216 -15.8974 1.7432 1.7472 3.6354 3.6725 8.5971 8.6461 10.7261 10.7582 11.4859 11.4931 11.7188 11.7608 11.9429 11.9488 12.8010 12.8019 13.4275 13.4862 13.5961 13.6328 14.6869 14.7634 14.9593 15.0139 16.7719 16.7753 17.0104 17.0192 k = 0.0000 0.0000 0.3990 ( 2632 PWs) bands (ev): -40.5823 -40.5823 -40.5574 -40.5574 -18.1828 -18.1724 -18.0979 -18.0943 -16.1693 -16.1353 -16.0740 -16.0443 -16.0211 -16.0006 -15.9237 -15.8987 1.7929 1.7972 3.6455 3.6832 8.6381 8.6878 10.6488 10.6807 11.3942 11.4025 11.6695 11.7116 11.9076 11.9147 12.8167 12.8190 13.4596 13.5206 13.6310 13.6642 14.6877 14.7689 14.8980 14.9536 16.7167 16.7224 17.0310 17.0417 k = 0.0000 0.0000 0.4189 ( 2632 PWs) bands (ev): -40.5817 -40.5817 -40.5571 -40.5571 -18.1839 -18.1731 -18.1005 -18.0967 -16.1703 -16.1343 -16.0781 -16.0473 -16.0250 -16.0030 -15.9260 -15.9001 1.8442 1.8489 3.6556 3.6938 8.6814 8.7313 10.5699 10.6014 11.3020 11.3112 11.6231 11.6650 11.8709 11.8787 12.8278 12.8340 13.4888 13.5517 13.6660 13.6948 14.6974 14.7815 14.8420 14.8968 16.6616 16.6696 17.0523 17.0650 k = 0.0000 0.0000 0.4389 ( 2638 PWs) bands (ev): -40.5811 -40.5811 -40.5569 -40.5569 -18.1850 -18.1739 -18.1031 -18.0991 -16.1714 -16.1333 -16.0824 -16.0504 -16.0289 -16.0053 -15.9282 -15.9016 1.8970 1.9021 3.6657 3.7042 8.7267 8.7765 10.4896 10.5208 11.2102 11.2199 11.5796 11.6211 11.8326 11.8409 12.8348 12.8452 13.5147 13.5789 13.7011 13.7245 14.7138 14.7729 14.8209 14.8469 16.6069 16.6171 17.0741 17.0888 k = 0.0000 0.0000 0.4588 ( 2640 PWs) bands (ev): -40.5804 -40.5804 -40.5567 -40.5566 -18.1861 -18.1747 -18.1058 -18.1016 -16.1725 -16.1323 -16.0866 -16.0536 -16.0330 -16.0076 -15.9305 -15.9032 1.9513 1.9568 3.6755 3.7142 8.7740 8.8233 10.4086 10.4391 11.1194 11.1294 11.5389 11.5798 11.7926 11.8011 12.8369 12.8520 13.5375 13.6021 13.7365 13.7530 14.7243 14.7274 14.8169 14.8511 16.5531 16.5654 17.0965 17.1130 k = 0.0000 0.0000 0.4788 ( 2636 PWs) bands (ev): -40.5797 -40.5797 -40.5562 -40.5562 -18.1873 -18.1755 -18.1086 -18.1041 -16.1736 -16.1313 -16.0910 -16.0569 -16.0370 -16.0099 -15.9329 -15.9048 2.0068 2.0128 3.6852 3.7239 8.8229 8.8713 10.3271 10.3570 11.0302 11.0404 11.5010 11.5412 11.7510 11.7595 12.8338 12.8538 13.5573 13.6217 13.7722 13.7800 14.6833 14.7048 14.8311 14.8947 16.5007 16.5149 17.1191 17.1376 k = 0.0000 0.0000 0.4987 ( 2636 PWs) bands (ev): -40.5789 -40.5789 -40.5559 -40.5559 -18.1884 -18.1764 -18.1114 -18.1067 -16.1748 -16.1303 -16.0954 -16.0603 -16.0411 -16.0121 -15.9352 -15.9065 2.0634 2.0699 3.6947 3.7332 8.8732 8.9202 10.2455 10.2748 10.9432 10.9536 11.4656 11.5051 11.7079 11.7161 12.8250 12.8499 13.5747 13.6378 13.8051 13.8078 14.6453 14.6688 14.8757 14.9476 16.4501 16.4661 17.1419 17.1623 k = 0.0000 0.0000 0.5187 ( 2638 PWs) bands (ev): -40.5782 -40.5782 -40.5556 -40.5556 -18.1896 -18.1773 -18.1142 -18.1093 -16.1761 -16.1293 -16.0998 -16.0638 -16.0452 -16.0142 -15.9376 -15.9083 2.1210 2.1279 3.7039 3.7420 8.9245 8.9694 10.1644 10.1931 10.8592 10.8699 11.4326 11.4715 11.6636 11.6711 12.8104 12.8400 13.5901 13.6514 13.8276 13.8429 14.6147 14.6327 14.9343 15.0084 16.4019 16.4194 17.1647 17.1870 k = 0.0000 0.0000 0.5386 ( 2638 PWs) bands (ev): -40.5774 -40.5774 -40.5553 -40.5553 -18.1907 -18.1782 -18.1172 -18.1120 -16.1774 -16.1283 -16.1043 -16.0674 -16.0493 -16.0163 -15.9401 -15.9101 2.1794 2.1867 3.7126 3.7503 8.9762 9.0186 10.0842 10.1123 10.7788 10.7899 11.4018 11.4402 11.6181 11.6246 12.7899 12.8239 13.6043 13.6632 13.8465 13.8762 14.5928 14.6013 15.0018 15.0761 16.3564 16.3753 17.1875 17.2118 k = 0.0000 0.0000 0.5586 ( 2638 PWs) bands (ev): -40.5767 -40.5767 -40.5549 -40.5549 -18.1918 -18.1791 -18.1201 -18.1147 -16.1788 -16.1274 -16.1088 -16.0710 -16.0533 -16.0183 -15.9425 -15.9120 2.2383 2.2461 3.7210 3.7581 9.0279 9.0669 10.0052 10.0327 10.7028 10.7145 11.3727 11.4111 11.5719 11.5769 12.7637 12.8016 13.6178 13.6739 13.8609 13.9062 14.5772 14.5807 15.0761 15.1497 16.3143 16.3342 17.2103 17.2365 k = 0.0000 0.0000 0.5785 ( 2642 PWs) bands (ev): -40.5760 -40.5760 -40.5546 -40.5546 -18.1930 -18.1800 -18.1231 -18.1175 -16.1802 -16.1265 -16.1133 -16.0746 -16.0573 -16.0201 -15.9450 -15.9139 2.2977 2.3060 3.7290 3.7652 9.0787 9.1136 9.9278 9.9549 10.6320 10.6447 11.3450 11.3839 11.5254 11.5281 12.7321 12.7732 13.6311 13.6843 13.8698 13.9309 14.5622 14.5791 15.1558 15.2283 16.2759 16.2966 17.2328 17.2610 k = 0.0000 0.0000 0.5985 ( 2646 PWs) bands (ev): -40.5752 -40.5752 -40.5543 -40.5543 -18.1941 -18.1810 -18.1261 -18.1202 -16.1817 -16.1257 -16.1178 -16.0783 -16.0611 -16.0218 -15.9475 -15.9160 2.3573 2.3662 3.7364 3.7717 9.1278 9.1576 9.8525 9.8792 10.5674 10.5816 11.3183 11.3584 11.4787 11.4790 12.6953 12.7391 13.6447 13.6948 13.8724 13.9482 14.5584 14.5885 15.2396 15.3108 16.2417 16.2630 17.2551 17.2854 k = 0.0000 0.0000 0.6184 ( 2646 PWs) bands (ev): -40.5744 -40.5744 -40.5540 -40.5540 -18.1952 -18.1819 -18.1291 -18.1230 -16.1833 -16.1250 -16.1224 -16.0820 -16.0648 -16.0234 -15.9500 -15.9180 2.4171 2.4264 3.7433 3.7776 9.1741 9.1978 9.7795 9.8060 10.5101 10.5260 11.2919 11.3342 11.4289 11.4336 12.6539 12.6999 13.6589 13.7061 13.8686 13.9563 14.5672 14.6088 15.3266 15.3965 16.2121 16.2336 17.2772 17.3094 k = 0.0000 0.0000 0.6383 ( 2642 PWs) bands (ev): -40.5736 -40.5736 -40.5536 -40.5536 -18.1963 -18.1828 -18.1321 -18.1258 -16.1849 -16.1269 -16.1244 -16.0857 -16.0683 -16.0249 -15.9525 -15.9201 2.4766 2.4864 3.7497 3.7827 9.2165 9.2330 9.7093 9.7356 10.4611 10.4793 11.2649 11.3108 11.3795 11.3900 12.6085 12.6560 13.6739 13.7183 13.8588 13.9546 14.5889 14.6391 15.4157 15.4845 16.1873 16.2088 17.2990 17.3332 k = 0.0000 0.0000 0.6583 ( 2642 PWs) bands (ev): -40.5727 -40.5726 -40.5534 -40.5534 -18.1974 -18.1838 -18.1351 -18.1285 -16.1866 -16.1314 -16.1239 -16.0894 -16.0716 -16.0262 -15.9550 -15.9222 2.5359 2.5462 3.7554 3.7872 9.2536 9.2618 9.6420 9.6685 10.4216 10.4424 11.2363 11.2866 11.3321 11.3495 12.5595 12.6082 13.6899 13.7317 13.8437 13.9435 14.6229 14.6786 15.5063 15.5739 16.1676 16.1887 17.3205 17.3566 k = 0.0000 0.0000 0.6782 ( 2642 PWs) bands (ev): -40.5718 -40.5718 -40.5531 -40.5531 -18.1985 -18.1847 -18.1381 -18.1313 -16.1883 -16.1358 -16.1237 -16.0932 -16.0746 -16.0273 -15.9576 -15.9244 2.5947 2.6054 3.7605 3.7909 9.2831 9.2842 9.5781 9.6050 10.3925 10.4160 11.2050 11.2568 11.2917 11.3133 12.5075 12.5572 13.7067 13.7464 13.8242 13.9244 14.6674 14.7260 15.5973 15.6640 16.1531 16.1737 17.3416 17.3796 k = 0.0000 0.0000 0.6982 ( 2638 PWs) bands (ev): -40.5710 -40.5710 -40.5527 -40.5527 -18.1995 -18.1857 -18.1411 -18.1341 -16.1900 -16.1402 -16.1236 -16.0969 -16.0773 -16.0283 -15.9602 -15.9266 2.6528 2.6639 3.7650 3.7939 9.2961 9.3074 9.5179 9.5455 10.3744 10.4003 11.1709 11.2163 11.2634 11.2819 12.4530 12.5037 13.7238 13.7625 13.8022 13.8992 14.7208 14.7802 15.6880 15.7539 16.1438 16.1636 17.3625 17.4023 k = 0.0000 0.0000 0.7181 ( 2634 PWs) bands (ev): -40.5702 -40.5702 -40.5523 -40.5523 -18.2005 -18.1866 -18.1441 -18.1369 -16.1919 -16.1446 -16.1239 -16.1006 -16.0796 -16.0291 -15.9628 -15.9289 2.7101 2.7216 3.7687 3.7961 9.3005 9.3224 9.4617 9.4905 10.3674 10.3947 11.1350 11.1713 11.2416 11.2546 12.3968 12.4483 13.7375 13.7799 13.7820 13.8694 14.7811 14.8401 15.7776 15.8429 16.1398 16.1585 17.3832 17.4247 k = 0.0000 0.0000 0.7381 ( 2638 PWs) bands (ev): -40.5695 -40.5695 -40.5520 -40.5520 -18.2015 -18.1875 -18.1471 -18.1396 -16.1937 -16.1489 -16.1245 -16.1042 -16.0814 -16.0298 -15.9654 -15.9311 2.7662 2.7781 3.7718 3.7976 9.2963 9.3290 9.4101 9.4406 10.3705 10.3977 11.0990 11.1267 11.2215 11.2302 12.3392 12.3918 13.7316 13.7808 13.7986 13.8368 14.8470 14.9049 15.8651 15.9300 16.1410 16.1582 17.4037 17.4467 k = 0.0000 0.0000 0.7580 ( 2634 PWs) bands (ev): -40.5686 -40.5686 -40.5517 -40.5517 -18.2025 -18.1884 -18.1501 -18.1423 -16.1956 -16.1532 -16.1255 -16.1079 -16.0828 -16.0303 -15.9680 -15.9334 2.8212 2.8334 3.7742 3.7983 9.2841 9.3261 9.3653 9.3965 10.3821 10.4069 11.0651 11.0846 11.2017 11.2075 12.2809 12.3348 13.7071 13.7983 13.8013 13.8197 14.9175 14.9737 15.9497 16.0147 16.1474 16.1628 17.4242 17.4685 k = 0.0000 0.0000 0.7780 ( 2634 PWs) bands (ev): -40.5678 -40.5678 -40.5514 -40.5514 -18.2034 -18.1892 -18.1530 -18.1450 -16.1975 -16.1573 -16.1268 -16.1115 -16.0837 -16.0306 -15.9706 -15.9358 2.8748 2.8873 3.7759 3.7983 9.2652 9.3052 9.3369 9.3584 10.3992 10.4193 11.0353 11.0467 11.1813 11.1855 12.2225 12.2781 13.6786 13.7666 13.8205 13.8404 14.9915 15.0459 16.0301 16.0959 16.1594 16.1720 17.4445 17.4899 k = 0.0000 0.0000 0.7979 ( 2638 PWs) bands (ev): -40.5670 -40.5670 -40.5512 -40.5512 -18.2043 -18.1901 -18.1559 -18.1477 -16.1994 -16.1615 -16.1284 -16.1150 -16.0841 -16.0308 -15.9733 -15.9381 2.9268 2.9395 3.7768 3.7976 9.2416 9.2705 9.3227 9.3261 10.4187 10.4313 11.0116 11.0149 11.1599 11.1639 12.1646 12.2224 13.6495 13.7317 13.8445 13.8625 15.0685 15.1210 16.1037 16.1722 16.1785 16.1863 17.4650 17.5112 k = 0.0000 0.0000 0.8179 ( 2634 PWs) bands (ev): -40.5662 -40.5662 -40.5509 -40.5509 -18.2051 -18.1909 -18.1587 -18.1503 -16.2013 -16.1655 -16.1303 -16.1185 -16.0841 -16.0308 -15.9759 -15.9405 2.9772 2.9901 3.7770 3.7961 9.2158 9.2368 9.2984 9.3095 10.4363 10.4392 10.9915 10.9952 11.1367 11.1428 12.1079 12.1683 13.6210 13.6977 13.8696 13.8855 15.1478 15.1986 16.1621 16.2024 16.2123 16.2461 17.4854 17.5322 k = 0.0000 0.0000 0.8378 ( 2634 PWs) bands (ev): -40.5654 -40.5654 -40.5506 -40.5506 -18.2059 -18.1917 -18.1615 -18.1529 -16.2033 -16.1694 -16.1324 -16.1219 -16.0837 -16.0307 -15.9785 -15.9429 3.0257 3.0387 3.7765 3.7939 9.1904 9.2069 9.2742 9.2957 10.4400 10.4481 10.9791 10.9857 11.1114 11.1237 12.0530 12.1166 13.5940 13.6654 13.8955 13.9090 15.2290 15.2781 16.1988 16.2239 16.2667 16.3131 17.5059 17.5530 k = 0.0000 0.0000 0.8578 ( 2640 PWs) bands (ev): -40.5646 -40.5646 -40.5505 -40.5505 -18.2067 -18.1924 -18.1643 -18.1555 -16.2052 -16.1733 -16.1347 -16.1253 -16.0830 -16.0304 -15.9812 -15.9453 3.0724 3.0854 3.7753 3.7911 9.1671 9.1814 9.2528 9.2821 10.4320 10.4507 10.9788 10.9794 11.0834 11.1107 12.0005 12.0677 13.5689 13.6354 13.9216 13.9329 15.3118 15.3593 16.2288 16.2487 16.3259 16.3746 17.5262 17.5734 k = 0.0000 0.0000 0.8777 ( 2640 PWs) bands (ev): -40.5639 -40.5639 -40.5503 -40.5503 -18.2074 -18.1931 -18.1670 -18.1579 -16.2070 -16.1770 -16.1371 -16.1286 -16.0821 -16.0299 -15.9838 -15.9477 3.1170 3.1300 3.7735 3.7876 9.1470 9.1605 9.2341 9.2695 10.4153 10.4427 10.9664 10.9917 11.0529 11.1104 11.9513 12.0224 13.5464 13.6081 13.9479 13.9567 15.3958 15.4419 16.2597 16.2768 16.3820 16.4305 17.5462 17.5934 k = 0.0000 0.0000 0.8977 ( 2640 PWs) bands (ev): -40.5631 -40.5631 -40.5501 -40.5501 -18.2080 -18.1938 -18.1696 -18.1604 -16.2089 -16.1806 -16.1395 -16.1317 -16.0809 -16.0294 -15.9865 -15.9501 3.1595 3.1724 3.7709 3.7835 9.1304 9.1443 9.2183 9.2586 10.3909 10.4246 10.9425 11.0022 11.0320 11.1265 11.9057 11.9810 13.5268 13.5840 13.9738 13.9803 15.4806 15.5254 16.2926 16.3077 16.4335 16.4806 17.5656 17.6128 k = 0.0000 0.0000 0.9176 ( 2648 PWs) bands (ev): -40.5625 -40.5625 -40.5501 -40.5501 -18.2086 -18.1944 -18.1722 -18.1628 -16.2106 -16.1841 -16.1419 -16.1348 -16.0795 -16.0287 -15.9892 -15.9526 3.1999 3.2126 3.7677 3.7788 9.1178 9.1326 9.2055 9.2499 10.3605 10.3982 10.9077 10.9706 11.0578 11.1556 11.8643 11.9437 13.5107 13.5634 13.9990 14.0031 15.5661 15.6097 16.3278 16.3412 16.4802 16.5254 17.5840 17.6314 k = 0.0000 0.0000 0.9376 ( 2648 PWs) bands (ev): -40.5617 -40.5617 -40.5499 -40.5499 -18.2091 -18.1949 -18.1747 -18.1651 -16.2124 -16.1875 -16.1443 -16.1378 -16.0780 -16.0278 -15.9918 -15.9550 3.2382 3.2506 3.7639 3.7736 9.1092 9.1255 9.1959 9.2439 10.3257 10.3657 10.8648 10.9270 11.0970 11.1928 11.8273 11.9108 13.4982 13.5467 14.0232 14.0249 15.6520 15.6946 16.3651 16.3770 16.5225 16.5654 17.6012 17.6490 k = 0.0000 0.0000 0.9575 ( 2642 PWs) bands (ev): -40.5609 -40.5609 -40.5498 -40.5498 -18.2096 -18.1954 -18.1772 -18.1673 -16.2140 -16.1908 -16.1466 -16.1406 -16.0764 -16.0269 -15.9945 -15.9574 3.2742 3.2863 3.7596 3.7679 9.1047 9.1228 9.1899 9.2410 10.2878 10.3289 10.8157 10.8781 11.1404 11.2344 11.7949 11.8821 13.4897 13.5341 14.0452 14.0458 15.7380 15.7797 16.4042 16.4148 16.5608 16.6013 17.6167 17.6654 k = 0.0000 0.0000 0.9775 ( 2650 PWs) bands (ev): -40.5603 -40.5603 -40.5498 -40.5498 -18.2100 -18.1959 -18.1796 -18.1695 -16.2156 -16.1940 -16.1489 -16.1434 -16.0747 -16.0258 -15.9972 -15.9599 3.3081 3.3198 3.7546 3.7617 9.1041 9.1244 9.1874 9.2414 10.2478 10.2893 10.7615 10.8247 11.1856 11.2779 11.7669 11.8575 13.4853 13.5257 14.0636 14.0665 15.8240 15.8648 16.4449 16.4541 16.5957 16.6338 17.6300 17.6804 k = 0.0000 0.0000 0.9974 ( 2650 PWs) bands (ev): -40.5596 -40.5596 -40.5497 -40.5497 -18.2103 -18.1963 -18.1819 -18.1716 -16.2171 -16.1970 -16.1511 -16.1460 -16.0728 -16.0246 -15.9998 -15.9623 3.3399 3.3511 3.7492 3.7551 9.1074 9.1302 9.1885 9.2453 10.2065 10.2478 10.7033 10.7674 11.2311 11.3218 11.7432 11.8366 13.4851 13.5217 14.0796 14.0848 15.9097 15.9497 16.4868 16.4946 16.6278 16.6636 17.6407 17.6933 k = 0.0000 0.0000 1.0174 ( 2642 PWs) bands (ev): -40.5588 -40.5588 -40.5495 -40.5495 -18.2106 -18.1966 -18.1841 -18.1736 -16.2184 -16.1998 -16.1531 -16.1484 -16.0709 -16.0233 -16.0025 -15.9648 3.3696 3.3803 3.7433 3.7481 9.1144 9.1398 9.1934 9.2527 10.1643 10.2050 10.6417 10.7066 11.2756 11.3650 11.7233 11.8190 13.4893 13.5220 14.0929 14.1002 15.9949 16.0343 16.5297 16.5360 16.6578 16.6915 17.6481 17.7038 k = 0.0000 0.0000 1.0373 ( 2646 PWs) bands (ev): -40.5582 -40.5582 -40.5496 -40.5496 -18.2108 -18.1969 -18.1862 -18.1756 -16.2197 -16.2026 -16.1551 -16.1508 -16.0689 -16.0220 -16.0051 -15.9672 3.3973 3.4074 3.7369 3.7408 9.1250 9.1532 9.2019 9.2637 10.1217 10.1616 10.5775 10.6429 11.3184 11.4067 11.7068 11.8043 13.4977 13.5267 14.1030 14.1122 16.0795 16.1181 16.5730 16.5777 16.6861 16.7182 17.6514 17.7108 k = 0.0000 0.0000 1.0573 ( 2646 PWs) bands (ev): -40.5575 -40.5575 -40.5496 -40.5496 -18.2109 -18.1971 -18.1883 -18.1775 -16.2209 -16.2052 -16.1569 -16.1529 -16.0668 -16.0205 -16.0078 -15.9696 3.4231 3.4325 3.7301 3.7332 9.1389 9.1700 9.2140 9.2784 10.0791 10.1179 10.5113 10.5770 11.3589 11.4464 11.6933 11.7922 13.5104 13.5357 14.1094 14.1205 16.1632 16.2011 16.6165 16.6194 16.7133 16.7442 17.6495 17.7133 k = 0.0000 0.0000 1.0772 ( 2646 PWs) bands (ev): -40.5569 -40.5569 -40.5496 -40.5496 -18.2110 -18.1972 -18.1902 -18.1793 -16.2219 -16.2076 -16.1586 -16.1550 -16.0647 -16.0189 -16.0104 -15.9721 3.4470 3.4558 3.7230 3.7253 9.1561 9.1900 9.2296 9.2967 10.0367 10.0742 10.4438 10.5094 11.3968 11.4835 11.6823 11.7821 13.5272 13.5488 14.1120 14.1247 16.2458 16.2830 16.6595 16.6605 16.7397 16.7701 17.6416 17.7097 k = 0.0000 0.0000 1.0972 ( 2644 PWs) bands (ev): -40.5563 -40.5563 -40.5496 -40.5496 -18.2109 -18.1973 -18.1921 -18.1810 -16.2229 -16.2099 -16.1602 -16.1569 -16.0625 -16.0173 -16.0130 -15.9745 3.4692 3.4773 3.7155 3.7172 9.1761 9.2129 9.2484 9.3184 9.9948 10.0307 10.3755 10.4408 11.4317 11.5180 11.6734 11.7737 13.5479 13.5659 14.1104 14.1246 16.3272 16.3634 16.7004 16.7016 16.7658 16.7964 17.6265 17.6985 k = 0.0000 0.0000 1.1171 ( 2642 PWs) bands (ev): -40.5557 -40.5557 -40.5497 -40.5497 -18.2108 -18.1972 -18.1939 -18.1826 -16.2237 -16.2121 -16.1616 -16.1586 -16.0603 -16.0157 -16.0156 -15.9769 3.4898 3.4972 3.7076 3.7089 9.1988 9.2385 9.2703 9.3435 9.9537 9.9876 10.3070 10.3717 11.4635 11.5496 11.6661 11.7667 13.5723 13.5867 14.1045 14.1199 16.4070 16.4421 16.7385 16.7421 16.7919 16.8235 17.6036 17.6784 k = 0.0000 0.0000 1.1371 ( 2642 PWs) bands (ev): -40.5551 -40.5551 -40.5498 -40.5498 -18.2107 -18.1971 -18.1956 -18.1842 -16.2243 -16.2141 -16.1628 -16.1602 -16.0581 -16.0183 -16.0138 -15.9793 3.5089 3.5156 3.6995 3.7003 9.2237 9.2664 9.2950 9.3717 9.9138 9.9453 10.2388 10.3025 11.4922 11.5782 11.6602 11.7606 13.6001 13.6109 14.0942 14.1105 16.4849 16.5186 16.7740 16.7797 16.8187 16.8518 17.5727 17.6489 k = 0.0000 0.0000 1.1570 ( 2646 PWs) bands (ev): -40.5546 -40.5546 -40.5500 -40.5500 -18.2104 -18.1973 -18.1970 -18.1856 -16.2249 -16.2159 -16.1639 -16.1616 -16.0558 -16.0209 -16.0120 -15.9817 3.5267 3.5326 3.6910 3.6916 9.2507 9.2963 9.3218 9.4026 9.8755 9.9042 10.1714 10.2338 11.5177 11.6039 11.6553 11.7553 13.6309 13.6383 14.0796 14.0965 16.5606 16.5921 16.8062 16.8128 16.8474 16.8819 17.5344 17.6103 k = 0.0000 0.0000 1.1770 ( 2638 PWs) bands (ev): -40.5540 -40.5540 -40.5501 -40.5501 -18.2100 -18.1988 -18.1967 -18.1870 -16.2252 -16.2176 -16.1649 -16.1629 -16.0534 -16.0235 -16.0101 -15.9840 3.5432 3.5484 3.6823 3.6827 9.2791 9.3279 9.3502 9.4354 9.8396 9.8649 10.1055 10.1661 11.5402 11.6269 11.6510 11.7503 13.6643 13.6684 14.0608 14.0780 16.6333 16.6616 16.8347 16.8402 16.8789 16.9141 17.4894 17.5640 k = 0.0000 0.0000 1.1969 ( 2638 PWs) bands (ev): -40.5535 -40.5535 -40.5503 -40.5503 -18.2096 -18.2002 -18.1964 -18.1883 -16.2255 -16.2191 -16.1656 -16.1640 -16.0511 -16.0261 -16.0081 -15.9863 3.5587 3.5632 3.6733 3.6736 9.3085 9.3608 9.3790 9.4692 9.8072 9.8285 10.0415 10.0999 11.5598 11.6470 11.6471 11.7455 13.6999 13.7009 14.0381 14.0552 16.7017 16.7254 16.8591 16.8624 16.9126 16.9494 17.4389 17.5116 k = 0.0000 0.0000 1.2169 ( 2638 PWs) bands (ev): -40.5531 -40.5531 -40.5504 -40.5504 -18.2090 -18.2016 -18.1960 -18.1895 -16.2255 -16.2205 -16.1662 -16.1649 -16.0487 -16.0287 -16.0061 -15.9887 3.5731 3.5769 3.6639 3.6644 9.3383 9.3945 9.4063 9.5015 9.7801 9.7971 9.9803 10.0356 11.5766 11.6431 11.6647 11.7405 13.7352 13.7372 14.0118 14.0286 16.7639 16.7812 16.8788 16.8802 16.9484 16.9891 17.3841 17.4545 k = 0.0000 0.0000 1.2368 ( 2642 PWs) bands (ev): -40.5527 -40.5527 -40.5508 -40.5508 -18.2084 -18.2028 -18.1955 -18.1906 -16.2255 -16.2217 -16.1667 -16.1657 -16.0462 -16.0312 -16.0041 -15.9910 3.5866 3.5898 3.6542 3.6548 9.3676 9.4286 9.4291 9.5283 9.7613 9.7750 9.9226 9.9739 11.5910 11.6388 11.6800 11.7352 13.7708 13.7757 13.9824 13.9984 16.8166 16.8268 16.8933 16.8936 16.9882 17.0349 17.3263 17.3943 k = 0.0000 0.0000 1.2568 ( 2646 PWs) bands (ev): -40.5523 -40.5523 -40.5511 -40.5511 -18.2077 -18.2040 -18.1949 -18.1916 -16.2252 -16.2227 -16.1669 -16.1663 -16.0438 -16.0338 -16.0020 -15.9932 3.5993 3.6019 3.6442 3.6450 9.3953 9.4437 9.4621 9.5426 9.7546 9.7689 9.8698 9.9158 11.6030 11.6340 11.6931 11.7291 13.8074 13.8148 13.9503 13.9653 16.8568 16.8610 16.9018 16.9019 17.0344 17.0873 17.2664 17.3320 k = 0.0000 0.0000 1.2767 ( 2650 PWs) bands (ev): -40.5520 -40.5520 -40.5514 -40.5514 -18.2070 -18.2051 -18.1942 -18.1926 -16.2248 -16.2236 -16.1670 -16.1667 -16.0413 -16.0363 -15.9999 -15.9955 3.6114 3.6134 3.6337 3.6349 9.4195 9.4467 9.4938 9.5394 9.7630 9.7837 9.8237 9.8626 11.6131 11.6283 11.7044 11.7221 13.8441 13.8539 13.9162 13.9298 16.8835 16.8843 16.9037 16.9039 17.0875 17.1450 17.2056 17.2690 k = 0.0000 0.0000 1.2966 ( 2650 PWs) bands (ev): -40.5517 -40.5517 -40.5517 -40.5517 -18.2061 -18.2061 -18.1934 -18.1934 -16.2243 -16.2243 -16.1670 -16.1670 -16.0388 -16.0388 -15.9977 -15.9977 3.6228 3.6228 3.6244 3.6244 9.4377 9.4377 9.5211 9.5211 9.7870 9.7870 9.8171 9.8171 11.6214 11.6214 11.7140 11.7140 13.8806 13.8806 13.8924 13.8924 16.8982 16.8982 16.8984 16.8984 17.1454 17.1454 17.2062 17.2062 k = 0.0000 0.0000 1.2966 ( 2650 PWs) bands (ev): -40.5517 -40.5517 -40.5517 -40.5517 -18.2061 -18.2061 -18.1934 -18.1934 -16.2243 -16.2243 -16.1670 -16.1670 -16.0388 -16.0388 -15.9977 -15.9977 3.6228 3.6228 3.6244 3.6244 9.4377 9.4377 9.5211 9.5211 9.7870 9.7870 9.8171 9.8171 11.6214 11.6214 11.7140 11.7140 13.8806 13.8806 13.8924 13.8924 16.8982 16.8982 16.8984 16.8984 17.1454 17.1454 17.2062 17.2062 k =-0.0073 0.0174 1.2966 ( 2654 PWs) bands (ev): -40.5518 -40.5518 -40.5518 -40.5518 -18.2060 -18.2060 -18.1934 -18.1934 -16.2242 -16.2242 -16.1669 -16.1669 -16.0388 -16.0388 -15.9977 -15.9977 3.6225 3.6225 3.6242 3.6242 9.4361 9.4361 9.5187 9.5187 9.7895 9.7895 9.8195 9.8195 11.6221 11.6221 11.7147 11.7147 13.8795 13.8795 13.8914 13.8914 16.8931 16.8931 16.8951 16.8951 17.1470 17.1470 17.2067 17.2067 k =-0.0146 0.0348 1.2966 ( 2654 PWs) bands (ev): -40.5518 -40.5518 -40.5518 -40.5518 -18.2059 -18.2059 -18.1933 -18.1933 -16.2240 -16.2240 -16.1666 -16.1666 -16.0388 -16.0388 -15.9976 -15.9976 3.6215 3.6215 3.6237 3.6237 9.4312 9.4312 9.5121 9.5121 9.7966 9.7966 9.8268 9.8268 11.6240 11.6240 11.7169 11.7169 13.8762 13.8762 13.8881 13.8881 16.8794 16.8794 16.8846 16.8846 17.1514 17.1514 17.2081 17.2081 k =-0.0218 0.0522 1.2966 ( 2650 PWs) bands (ev): -40.5518 -40.5518 -40.5518 -40.5518 -18.2057 -18.2057 -18.1931 -18.1931 -16.2237 -16.2237 -16.1662 -16.1662 -16.0388 -16.0388 -15.9975 -15.9975 3.6199 3.6199 3.6227 3.6227 9.4237 9.4237 9.5019 9.5019 9.8077 9.8077 9.8383 9.8383 11.6272 11.6272 11.7206 11.7206 13.8706 13.8706 13.8828 13.8828 16.8585 16.8585 16.8678 16.8678 17.1570 17.1570 17.2096 17.2096 k =-0.0291 0.0697 1.2966 ( 2650 PWs) bands (ev): -40.5519 -40.5519 -40.5519 -40.5519 -18.2054 -18.2054 -18.1928 -18.1928 -16.2232 -16.2232 -16.1657 -16.1657 -16.0387 -16.0387 -15.9974 -15.9974 3.6178 3.6178 3.6211 3.6211 9.4140 9.4140 9.4893 9.4893 9.8219 9.8219 9.8535 9.8535 11.6317 11.6317 11.7256 11.7256 13.8629 13.8629 13.8753 13.8753 16.8319 16.8319 16.8456 16.8456 17.1622 17.1622 17.2107 17.2107 k =-0.0364 0.0871 1.2966 ( 2658 PWs) bands (ev): -40.5521 -40.5521 -40.5521 -40.5521 -18.2051 -18.2051 -18.1924 -18.1924 -16.2226 -16.2226 -16.1650 -16.1650 -16.0387 -16.0387 -15.9972 -15.9972 3.6151 3.6151 3.6191 3.6191 9.4029 9.4029 9.4753 9.4753 9.8383 9.8383 9.8713 9.8713 11.6373 11.6373 11.7319 11.7319 13.8531 13.8531 13.8658 13.8658 16.8011 16.8011 16.8191 16.8191 17.1658 17.1658 17.2104 17.2104 k =-0.0437 0.1045 1.2966 ( 2652 PWs) bands (ev): -40.5522 -40.5522 -40.5522 -40.5522 -18.2046 -18.2046 -18.1920 -18.1920 -16.2218 -16.2218 -16.1641 -16.1641 -16.0386 -16.0386 -15.9970 -15.9970 3.6118 3.6118 3.6164 3.6164 9.3910 9.3910 9.4608 9.4608 9.8564 9.8564 9.8912 9.8912 11.6440 11.6440 11.7394 11.7394 13.8414 13.8414 13.8543 13.8543 16.7673 16.7673 16.7894 16.7894 17.1670 17.1670 17.2084 17.2084 k =-0.0437 0.1045 1.2966 ( 2652 PWs) bands (ev): -40.5522 -40.5522 -40.5522 -40.5522 -18.2046 -18.2046 -18.1920 -18.1920 -16.2218 -16.2218 -16.1641 -16.1641 -16.0386 -16.0386 -15.9970 -15.9970 3.6118 3.6118 3.6164 3.6164 9.3910 9.3910 9.4608 9.4608 9.8564 9.8564 9.8912 9.8912 11.6440 11.6440 11.7394 11.7394 13.8414 13.8414 13.8543 13.8543 16.7673 16.7673 16.7894 16.7894 17.1670 17.1670 17.2084 17.2084 k =-0.0491 0.1175 1.2826 ( 2648 PWs) bands (ev): -40.5525 -40.5525 -40.5520 -40.5520 -18.2049 -18.2036 -18.1922 -18.1910 -16.2216 -16.2207 -16.1634 -16.1632 -16.0403 -16.0368 -15.9984 -15.9953 3.6025 3.6056 3.6171 3.6201 9.3609 9.3870 9.4413 9.4728 9.8425 9.8737 9.9031 9.9409 11.6462 11.6525 11.7417 11.7492 13.8081 13.8198 13.8546 13.8684 16.7222 16.7282 16.7772 16.7787 17.1436 17.1804 17.1877 17.2302 k =-0.0545 0.1305 1.2685 ( 2646 PWs) bands (ev): -40.5528 -40.5528 -40.5519 -40.5519 -18.2050 -18.2024 -18.1922 -18.1900 -16.2212 -16.2195 -16.1626 -16.1621 -16.0420 -16.0350 -15.9996 -15.9936 3.5925 3.5959 3.6200 3.6235 9.3242 9.3587 9.4458 9.4902 9.8298 9.8599 9.9517 9.9934 11.6492 11.6602 11.7450 11.7581 13.7746 13.7854 13.8651 13.8799 16.6664 16.6762 16.7708 16.7735 17.1211 17.1553 17.2019 17.2453 k =-0.0600 0.1435 1.2544 ( 2641 PWs) bands (ev): -40.5532 -40.5532 -40.5518 -40.5518 -18.2051 -18.2012 -18.1922 -18.1888 -16.2207 -16.2181 -16.1616 -16.1609 -16.0436 -16.0332 -16.0008 -15.9918 3.5822 3.5859 3.6222 3.6260 9.2849 9.3209 9.4602 9.5105 9.8184 9.8477 10.0030 10.0477 11.6532 11.6670 11.7496 11.7662 13.7412 13.7513 13.8728 13.8886 16.6071 16.6196 16.7641 16.7683 17.0986 17.1318 17.2103 17.2542 k =-0.0654 0.1565 1.2403 ( 2644 PWs) bands (ev): -40.5536 -40.5536 -40.5518 -40.5518 -18.2051 -18.1999 -18.1922 -18.1876 -16.2201 -16.2166 -16.1604 -16.1595 -16.0453 -16.0314 -16.0019 -15.9899 3.5716 3.5757 3.6234 3.6278 9.2447 9.2809 9.4774 9.5325 9.8080 9.8372 10.0559 10.1032 11.6583 11.6730 11.7553 11.7737 13.7083 13.7180 13.8778 13.8942 16.5462 16.5606 16.7569 16.7625 17.0758 17.1091 17.2134 17.2574 k =-0.0708 0.1695 1.2262 ( 2640 PWs) bands (ev): -40.5540 -40.5540 -40.5517 -40.5517 -18.2050 -18.1986 -18.1920 -18.1863 -16.2193 -16.2149 -16.1591 -16.1580 -16.0469 -16.0298 -16.0028 -15.9880 3.5609 3.5653 3.6236 3.6286 9.2044 9.2404 9.4959 9.5559 9.7985 9.8286 10.1099 10.1593 11.6644 11.6784 11.7623 11.7807 13.6762 13.6860 13.8798 13.8967 16.4849 16.5005 16.7494 16.7563 17.0529 17.0866 17.2119 17.2559 k =-0.0763 0.1825 1.2121 ( 2646 PWs) bands (ev): -40.5545 -40.5545 -40.5519 -40.5519 -18.2048 -18.1972 -18.1918 -18.1850 -16.2185 -16.2133 -16.1576 -16.1563 -16.0485 -16.0282 -16.0035 -15.9861 3.5500 3.5549 3.6230 3.6285 9.1643 9.2001 9.5147 9.5802 9.7900 9.8221 10.1645 10.2159 11.6718 11.6832 11.7703 11.7878 13.6453 13.6555 13.8788 13.8962 16.4236 16.4401 16.7418 16.7497 17.0301 17.0643 17.2060 17.2501 k =-0.0817 0.1955 1.1980 ( 2646 PWs) bands (ev): -40.5550 -40.5550 -40.5519 -40.5519 -18.2046 -18.1957 -18.1915 -18.1836 -16.2175 -16.2115 -16.1560 -16.1545 -16.0500 -16.0268 -16.0040 -15.9841 3.5389 3.5444 3.6214 3.6275 9.1249 9.1602 9.5330 9.6046 9.7826 9.8183 10.2196 10.2726 11.6800 11.6879 11.7786 11.7959 13.6159 13.6268 13.8750 13.8926 16.3631 16.3799 16.7344 16.7431 17.0079 17.0421 17.1964 17.2406 k =-0.0871 0.2085 1.1839 ( 2648 PWs) bands (ev): -40.5555 -40.5555 -40.5520 -40.5520 -18.2043 -18.1942 -18.1912 -18.1821 -16.2165 -16.2097 -16.1542 -16.1525 -16.0515 -16.0256 -16.0041 -15.9821 3.5278 3.5338 3.6189 3.6256 9.0861 9.1209 9.5499 9.6281 9.7771 9.8179 10.2749 10.3293 11.6880 11.6938 11.7864 11.8060 13.5883 13.6002 13.8683 13.8861 16.3035 16.3206 16.7273 16.7365 16.9864 17.0203 17.1832 17.2279 k =-0.0926 0.2215 1.1699 ( 2646 PWs) bands (ev): -40.5560 -40.5560 -40.5520 -40.5520 -18.2039 -18.1927 -18.1907 -18.1806 -16.2155 -16.2078 -16.1523 -16.1505 -16.0530 -16.0247 -16.0038 -15.9800 3.5165 3.5233 3.6156 3.6228 9.0480 9.0821 9.5643 9.6488 9.7750 9.8220 10.3303 10.3859 11.6933 11.7035 11.7934 11.8189 13.5628 13.5759 13.8589 13.8767 16.2450 16.2624 16.7208 16.7300 16.9660 16.9989 17.1667 17.2121 k =-0.0980 0.2345 1.1558 ( 2646 PWs) bands (ev): -40.5566 -40.5566 -40.5521 -40.5521 -18.2034 -18.1911 -18.1902 -18.1790 -16.2144 -16.2059 -16.1502 -16.1483 -16.0545 -16.0241 -16.0031 -15.9778 3.5052 3.5127 3.6113 3.6192 9.0107 9.0439 9.5750 9.6638 9.7788 9.8315 10.3856 10.4421 11.6976 11.7154 11.8002 11.8343 13.5396 13.5539 13.8469 13.8647 16.1880 16.2054 16.7149 16.7239 16.9469 16.9783 17.1471 17.1935 k =-0.1034 0.2475 1.1417 ( 2646 PWs) bands (ev): -40.5571 -40.5571 -40.5523 -40.5523 -18.2029 -18.1900 -18.1892 -18.1774 -16.2132 -16.2040 -16.1480 -16.1459 -16.0559 -16.0239 -16.0019 -15.9756 3.4939 3.5022 3.6063 3.6147 8.9740 9.0063 9.5813 9.6705 9.7910 9.8473 10.4407 10.4980 11.7019 11.7283 11.8076 11.8519 13.5190 13.5342 13.8327 13.8503 16.1323 16.1500 16.7096 16.7179 16.9292 16.9585 17.1247 17.1723 k =-0.1089 0.2605 1.1276 ( 2642 PWs) bands (ev): -40.5576 -40.5576 -40.5523 -40.5523 -18.2024 -18.1894 -18.1876 -18.1758 -16.2120 -16.2021 -16.1457 -16.1435 -16.0572 -16.0240 -16.0003 -15.9734 3.4827 3.4917 3.6004 3.6094 8.9380 8.9691 9.5829 9.6688 9.8115 9.8693 10.4957 10.5535 11.7068 11.7415 11.8164 11.8713 13.5009 13.5170 13.8163 13.8338 16.0782 16.0962 16.7047 16.7119 16.9130 16.9397 17.0998 17.1487 k =-0.1143 0.2735 1.1135 ( 2638 PWs) bands (ev): -40.5581 -40.5581 -40.5524 -40.5524 -18.2018 -18.1888 -18.1860 -18.1741 -16.2109 -16.2002 -16.1432 -16.1410 -16.0585 -16.0243 -15.9984 -15.9710 3.4714 3.4813 3.5938 3.6034 8.9026 8.9323 9.5802 9.6612 9.8382 9.8968 10.5504 10.6085 11.7125 11.7546 11.8273 11.8923 13.4854 13.5022 13.7983 13.8156 16.0257 16.0441 16.7000 16.7054 16.8983 16.9219 17.0731 17.1230 k =-0.1197 0.2865 1.0994 ( 2641 PWs) bands (ev): -40.5588 -40.5587 -40.5526 -40.5526 -18.2011 -18.1882 -18.1843 -18.1724 -16.2097 -16.1984 -16.1407 -16.1385 -16.0598 -16.0248 -15.9961 -15.9686 3.4602 3.4709 3.5865 3.5966 8.8676 8.8959 9.5736 9.6497 9.8690 9.9288 10.6049 10.6629 11.7194 11.7671 11.8410 11.9145 13.4724 13.4895 13.7788 13.7961 15.9749 15.9938 16.6946 16.6977 16.8848 16.9050 17.0455 17.0958 k =-0.1252 0.2995 1.0853 ( 2643 PWs) bands (ev): -40.5594 -40.5594 -40.5528 -40.5528 -18.2005 -18.1875 -18.1826 -18.1707 -16.2086 -16.1966 -16.1380 -16.1358 -16.0610 -16.0254 -15.9936 -15.9662 3.4491 3.4607 3.5785 3.5892 8.8331 8.8598 9.5640 9.6355 9.9031 9.9644 10.6590 10.7169 11.7277 11.7791 11.8573 11.9377 13.4618 13.4788 13.7584 13.7758 15.9258 15.9453 16.6873 16.6882 16.8718 16.8888 17.0188 17.0683 k =-0.1306 0.3125 1.0712 ( 2641 PWs) bands (ev): -40.5599 -40.5599 -40.5530 -40.5530 -18.1998 -18.1869 -18.1808 -18.1690 -16.2075 -16.1950 -16.1352 -16.1331 -16.0621 -16.0261 -15.9909 -15.9637 3.4381 3.4506 3.5700 3.5812 8.7988 8.8241 9.5518 9.6194 9.9396 10.0029 10.7128 10.7703 11.7377 11.7910 11.8760 11.9615 13.4533 13.4697 13.7376 13.7554 15.8785 15.8988 16.6743 16.6783 16.8576 16.8727 16.9955 17.0421 k =-0.1360 0.3255 1.0571 ( 2641 PWs) bands (ev): -40.5605 -40.5605 -40.5532 -40.5532 -18.1990 -18.1862 -18.1791 -18.1673 -16.2064 -16.1934 -16.1324 -16.1304 -16.0631 -16.0267 -15.9881 -15.9612 3.4272 3.4407 3.5609 3.5726 8.7649 8.7886 9.5376 9.6017 9.9782 10.0438 10.7663 10.8232 11.7496 11.8033 11.8965 11.9856 13.4466 13.4618 13.7169 13.7356 15.8331 15.8543 16.6561 16.6648 16.8400 16.8559 16.9788 17.0197 k =-0.1415 0.3385 1.0431 ( 2629 PWs) bands (ev): -40.5609 -40.5609 -40.5533 -40.5533 -18.1983 -18.1855 -18.1774 -18.1656 -16.2054 -16.1919 -16.1295 -16.1277 -16.0640 -16.0274 -15.9851 -15.9586 3.4165 3.4309 3.5513 3.5635 8.7312 8.7534 9.5218 9.5827 10.0188 10.0866 10.8194 10.8755 11.7637 11.8165 11.9181 12.0097 13.4409 13.4543 13.6970 13.7174 15.7896 15.8119 16.6312 16.6458 16.8185 16.8366 16.9704 17.0038 k =-0.1469 0.3515 1.0290 ( 2631 PWs) bands (ev): -40.5615 -40.5615 -40.5535 -40.5535 -18.1975 -18.1849 -18.1757 -18.1639 -16.2044 -16.1905 -16.1266 -16.1250 -16.0648 -16.0280 -15.9821 -15.9560 3.4060 3.4214 3.5414 3.5540 8.6977 8.7186 9.5047 9.5626 10.0610 10.1312 10.8720 10.9272 11.7801 11.8310 11.9404 12.0332 13.4354 13.4464 13.6788 13.7020 15.7482 15.7715 16.5982 16.6198 16.7955 16.8141 16.9703 16.9960 k =-0.1523 0.3645 1.0149 ( 2630 PWs) bands (ev): -40.5621 -40.5621 -40.5537 -40.5537 -18.1967 -18.1842 -18.1741 -18.1622 -16.2035 -16.1892 -16.1238 -16.1223 -16.0655 -16.0286 -15.9790 -15.9534 3.3958 3.4120 3.5311 3.5441 8.6644 8.6842 9.4864 9.5415 10.1048 10.1773 10.9241 10.9784 11.7988 11.8471 11.9629 12.0559 13.4290 13.4376 13.6633 13.6903 15.7088 15.7334 16.5563 16.5856 16.7732 16.7895 16.9766 16.9957 k =-0.1578 0.3775 1.0008 ( 2630 PWs) bands (ev): -40.5626 -40.5626 -40.5539 -40.5539 -18.1960 -18.1835 -18.1724 -18.1606 -16.2027 -16.1880 -16.1209 -16.1196 -16.0661 -16.0291 -15.9758 -15.9508 3.3857 3.4029 3.5206 3.5340 8.6314 8.6502 9.4673 9.5197 10.1499 10.2247 10.9756 11.0288 11.8200 11.8650 11.9853 12.0774 13.4199 13.4275 13.6517 13.6835 15.6715 15.6974 16.5059 16.5428 16.7530 16.7650 16.9875 17.0013 k =-0.1632 0.3905 0.9867 ( 2630 PWs) bands (ev): -40.5632 -40.5632 -40.5541 -40.5541 -18.1952 -18.1828 -18.1708 -18.1590 -16.2019 -16.1869 -16.1181 -16.1170 -16.0665 -16.0296 -15.9726 -15.9482 3.3760 3.3940 3.5099 3.5237 8.5986 8.6169 9.4475 9.4973 10.1964 10.2734 11.0262 11.0784 11.8435 11.8846 12.0074 12.0974 13.4068 13.4160 13.6450 13.6820 15.6365 15.6637 16.4480 16.4919 16.7349 16.7419 17.0011 17.0110 k =-0.1686 0.4035 0.9726 ( 2632 PWs) bands (ev): -40.5638 -40.5638 -40.5544 -40.5544 -18.1944 -18.1822 -18.1693 -18.1574 -16.2012 -16.1860 -16.1154 -16.1144 -16.0668 -16.0299 -15.9694 -15.9456 3.3665 3.3854 3.4991 3.5133 8.5661 8.5842 9.4272 9.4745 10.2441 10.3232 11.0758 11.1270 11.8692 11.9059 12.0291 12.1156 13.3900 13.4021 13.6439 13.6861 15.6035 15.6320 16.3843 16.4339 16.7182 16.7213 17.0159 17.0238 k =-0.1740 0.4165 0.9585 ( 2638 PWs) bands (ev): -40.5644 -40.5644 -40.5547 -40.5547 -18.1937 -18.1815 -18.1678 -18.1559 -16.2006 -16.1851 -16.1129 -16.1120 -16.0669 -16.0302 -15.9662 -15.9430 3.3574 3.3772 3.4883 3.5028 8.5341 8.5522 9.4066 9.4514 10.2930 10.3741 11.1241 11.1745 11.8966 11.9288 12.0505 12.1320 13.3702 13.3855 13.6482 13.6953 15.5725 15.6023 16.3164 16.3705 16.7006 16.7047 17.0299 17.0388 k =-0.1795 0.4294 0.9444 ( 2638 PWs) bands (ev): -40.5648 -40.5648 -40.5550 -40.5550 -18.1929 -18.1809 -18.1664 -18.1544 -16.2000 -16.1844 -16.1105 -16.1096 -16.0669 -16.0304 -15.9630 -15.9405 3.3485 3.3692 3.4776 3.4923 8.5026 8.5212 9.3858 9.4282 10.3428 10.4259 11.1707 11.2206 11.9252 11.9531 12.0720 12.1464 13.3483 13.3663 13.6578 13.7092 15.5432 15.5742 16.2457 16.3035 16.6830 16.6907 17.0425 17.0550 k =-0.1849 0.4424 0.9304 ( 2639 PWs) bands (ev): -40.5653 -40.5653 -40.5553 -40.5553 -18.1922 -18.1803 -18.1650 -18.1529 -16.1995 -16.1837 -16.1083 -16.1073 -16.0666 -16.0305 -15.9599 -15.9380 3.3401 3.3615 3.4669 3.4820 8.4719 8.4911 9.3651 9.4051 10.3936 10.4785 11.2153 11.2650 11.9538 11.9791 12.0937 12.1589 13.3248 13.3450 13.6719 13.7273 15.5150 15.5469 16.1740 16.2345 16.6665 16.6777 17.0535 17.0708 k =-0.1903 0.4554 0.9163 ( 2638 PWs) bands (ev): -40.5657 -40.5657 -40.5555 -40.5555 -18.1915 -18.1797 -18.1636 -18.1516 -16.1991 -16.1831 -16.1064 -16.1052 -16.0662 -16.0305 -15.9568 -15.9356 3.3320 3.3542 3.4565 3.4718 8.4421 8.4621 9.3447 9.3822 10.4453 10.5319 11.2572 11.3072 11.9810 12.0075 12.1163 12.1697 13.3002 13.3222 13.6901 13.7489 15.4872 15.5196 16.1032 16.1656 16.6510 16.6653 17.0626 17.0854 k =-0.1958 0.4684 0.9022 ( 2640 PWs) bands (ev): -40.5662 -40.5662 -40.5558 -40.5558 -18.1908 -18.1792 -18.1624 -18.1503 -16.1987 -16.1826 -16.1047 -16.1032 -16.0656 -16.0304 -15.9538 -15.9333 3.3244 3.3473 3.4464 3.4619 8.4134 8.4342 9.3246 9.3597 10.4976 10.5858 11.2960 11.3468 12.0057 12.0382 12.1399 12.1792 13.2749 13.2984 13.7120 13.7738 15.4584 15.4905 16.0356 16.0988 16.6363 16.6534 17.0693 17.0981 k =-0.2012 0.4814 0.8881 ( 2638 PWs) bands (ev): -40.5666 -40.5666 -40.5559 -40.5559 -18.1902 -18.1786 -18.1612 -18.1490 -16.1983 -16.1822 -16.1032 -16.1014 -16.0648 -16.0302 -15.9510 -15.9310 3.3171 3.3408 3.4366 3.4524 8.3859 8.4076 9.3052 9.3378 10.5505 10.6403 11.3308 11.3832 12.0281 12.0704 12.1647 12.1879 13.2493 13.2739 13.7372 13.8017 15.4268 15.4577 15.9739 16.0369 16.6224 16.6420 17.0734 17.1085 k =-0.2066 0.4944 0.8740 ( 2638 PWs) bands (ev): -40.5670 -40.5670 -40.5561 -40.5561 -18.1896 -18.1782 -18.1601 -18.1479 -16.1981 -16.1818 -16.1019 -16.0997 -16.0638 -16.0299 -15.9482 -15.9289 3.3104 3.3347 3.4273 3.4432 8.3598 8.3824 9.2865 9.3167 10.6038 10.6951 11.3610 11.4156 12.0491 12.1028 12.1892 12.1978 13.2235 13.2490 13.7658 13.8323 15.3902 15.4190 15.9211 15.9823 16.6093 16.6309 17.0746 17.1160 k =-0.2121 0.5074 0.8599 ( 2640 PWs) bands (ev): -40.5674 -40.5674 -40.5563 -40.5563 -18.1890 -18.1777 -18.1590 -18.1468 -16.1978 -16.1815 -16.1009 -16.0982 -16.0628 -16.0296 -15.9456 -15.9269 3.3040 3.3290 3.4184 3.4346 8.3352 8.3588 9.2687 9.2965 10.6574 10.7500 11.3858 11.4434 12.0696 12.1341 12.2035 12.2193 13.1977 13.2238 13.7977 13.8658 15.3461 15.3727 15.8797 15.9377 16.5967 16.6201 17.0727 17.1203 k =-0.2175 0.5204 0.8458 ( 2644 PWs) bands (ev): -40.5678 -40.5678 -40.5566 -40.5566 -18.1885 -18.1773 -18.1581 -18.1458 -16.1976 -16.1813 -16.1000 -16.0969 -16.0617 -16.0292 -15.9432 -15.9250 3.2982 3.3237 3.4100 3.4264 8.3122 8.3367 9.2520 9.2774 10.7111 10.8049 11.4045 11.4658 12.0904 12.1628 12.2151 12.2456 13.1721 13.1985 13.8330 13.9021 15.2924 15.3185 15.8508 15.9049 16.5846 16.6094 17.0674 17.1208 k =-0.2229 0.5334 0.8317 ( 2642 PWs) bands (ev): -40.5681 -40.5681 -40.5567 -40.5567 -18.1880 -18.1769 -18.1572 -18.1449 -16.1975 -16.1810 -16.0994 -16.0957 -16.0605 -16.0287 -15.9409 -15.9233 3.2929 3.3189 3.4023 3.4189 8.2911 8.3164 9.2366 9.2595 10.7647 10.8595 11.4166 11.4822 12.1119 12.1872 12.2303 12.2717 13.1468 13.1732 13.8719 13.9413 15.2290 15.2572 15.8342 15.8841 16.5731 16.5990 17.0582 17.1167 k =-0.2284 0.5464 0.8176 ( 2642 PWs) bands (ev): -40.5683 -40.5683 -40.5569 -40.5568 -18.1875 -18.1765 -18.1564 -18.1441 -16.1973 -16.1809 -16.0988 -16.0947 -16.0594 -16.0283 -15.9388 -15.9217 3.2881 3.3145 3.3952 3.4120 8.2719 8.2979 9.2225 9.2429 10.8180 10.9135 11.4218 11.4919 12.1344 12.2063 12.2497 12.2966 13.1221 13.1482 13.9145 13.9834 15.1572 15.1901 15.8281 15.8743 16.5621 16.5886 17.0447 17.1070 k =-0.2338 0.5594 0.8036 ( 2650 PWs) bands (ev): -40.5687 -40.5687 -40.5571 -40.5571 -18.1871 -18.1762 -18.1557 -18.1434 -16.1972 -16.1808 -16.0984 -16.0939 -16.0582 -16.0278 -15.9369 -15.9203 3.2838 3.3107 3.3889 3.4058 8.2546 8.2814 9.2100 9.2279 10.8706 10.9667 11.4204 11.4946 12.1578 12.2222 12.2712 12.3199 13.0982 13.1237 13.9607 14.0284 15.0799 15.1185 15.8305 15.8734 16.5515 16.5783 17.0265 17.0907 k =-0.2392 0.5724 0.7895 ( 2646 PWs) bands (ev): -40.5689 -40.5689 -40.5571 -40.5571 -18.1868 -18.1760 -18.1551 -18.1427 -16.1971 -16.1807 -16.0981 -16.0931 -16.0572 -16.0274 -15.9353 -15.9190 3.2800 3.3073 3.3833 3.4004 8.2395 8.2668 9.1990 9.2144 10.9222 11.0185 11.4128 11.4905 12.1815 12.2367 12.2922 12.3411 13.0755 13.1002 14.0104 14.0762 14.9994 15.0443 15.8393 15.8790 16.5414 16.5680 17.0041 17.0683 k =-0.2447 0.5854 0.7754 ( 2648 PWs) bands (ev): -40.5691 -40.5691 -40.5572 -40.5572 -18.1865 -18.1757 -18.1546 -18.1422 -16.1971 -16.1806 -16.0978 -16.0925 -16.0563 -16.0270 -15.9339 -15.9180 3.2769 3.3044 3.3785 3.3957 8.2266 8.2544 9.1897 9.2027 10.9725 11.0684 11.3998 11.4797 12.2049 12.2504 12.3110 12.3598 13.0545 13.0783 14.0630 14.1263 14.9180 14.9695 15.8522 15.8888 16.5318 16.5580 16.9789 17.0421 k =-0.2501 0.5984 0.7613 ( 2652 PWs) bands (ev): -40.5693 -40.5693 -40.5574 -40.5574 -18.1862 -18.1756 -18.1541 -18.1417 -16.1970 -16.1805 -16.0976 -16.0921 -16.0555 -16.0266 -15.9327 -15.9171 3.2742 3.3021 3.3745 3.3918 8.2159 8.2442 9.1823 9.1927 11.0210 11.1151 11.3829 11.4629 12.2269 12.2628 12.3270 12.3757 13.0358 13.0585 14.1177 14.1779 14.8381 14.8966 15.8672 15.9004 16.5229 16.5485 16.9535 17.0155 k =-0.2555 0.6114 0.7472 ( 2656 PWs) bands (ev): -40.5695 -40.5695 -40.5575 -40.5575 -18.1860 -18.1754 -18.1538 -18.1414 -16.1970 -16.1805 -16.0975 -16.0917 -16.0549 -16.0263 -15.9318 -15.9164 3.2722 3.3002 3.3714 3.3888 8.2076 8.2361 9.1766 9.1847 11.0667 11.1567 11.3645 11.4409 12.2464 12.2731 12.3397 12.3885 13.0202 13.0417 14.1722 14.2292 14.7621 14.8286 15.8822 15.9118 16.5151 16.5399 16.9305 16.9917 k =-0.2610 0.6244 0.7331 ( 2655 PWs) bands (ev): -40.5695 -40.5695 -40.5575 -40.5575 -18.1859 -18.1753 -18.1536 -18.1411 -16.1970 -16.1805 -16.0974 -16.0914 -16.0544 -16.0261 -15.9311 -15.9159 3.2707 3.2989 3.3691 3.3866 8.2016 8.2303 9.1729 9.1786 11.1082 11.1887 11.3497 11.4152 12.2625 12.2802 12.3488 12.3980 13.0084 13.0289 14.2225 14.2767 14.6947 14.7700 15.8952 15.9211 16.5089 16.5329 16.9124 16.9731 k =-0.2664 0.6374 0.7190 ( 2655 PWs) bands (ev): -40.5696 -40.5696 -40.5576 -40.5576 -18.1858 -18.1752 -18.1534 -18.1410 -16.1970 -16.1804 -16.0974 -16.0913 -16.0541 -16.0260 -15.9307 -15.9156 3.2698 3.2981 3.3678 3.3853 8.1980 8.2269 9.1710 9.1745 11.1421 11.2043 11.3474 11.3877 12.2740 12.2834 12.3543 12.4038 13.0011 13.0208 14.2607 14.3138 14.6439 14.7281 15.9041 15.9272 16.5048 16.5283 16.9009 16.9613 k =-0.2718 0.6504 0.7049 ( 2655 PWs) bands (ev): -40.5696 -40.5696 -40.5576 -40.5576 -18.1858 -18.1752 -18.1534 -18.1409 -16.1970 -16.1804 -16.0973 -16.0913 -16.0540 -16.0260 -15.9306 -15.9155 3.2696 3.2978 3.3673 3.3849 8.1968 8.2257 9.1705 9.1730 11.1575 11.2056 11.3601 11.3649 12.2793 12.2832 12.3562 12.4058 12.9986 13.0180 14.2756 14.3288 14.6239 14.7125 15.9072 15.9292 16.5034 16.5267 16.8970 16.9573 k =-0.2718 0.6504 0.7049 ( 2655 PWs) bands (ev): -40.5696 -40.5696 -40.5576 -40.5576 -18.1858 -18.1752 -18.1534 -18.1409 -16.1970 -16.1804 -16.0973 -16.0913 -16.0540 -16.0260 -15.9306 -15.9155 3.2696 3.2978 3.3673 3.3849 8.1968 8.2257 9.1705 9.1730 11.1575 11.2056 11.3601 11.3649 12.2793 12.2832 12.3562 12.4058 12.9986 13.0180 14.2756 14.3288 14.6239 14.7125 15.9072 15.9292 16.5034 16.5267 16.8970 16.9573 k =-0.2664 0.6374 0.6908 ( 2655 PWs) bands (ev): -40.5698 -40.5698 -40.5572 -40.5572 -18.1870 -18.1762 -18.1530 -18.1408 -16.1985 -16.1812 -16.0983 -16.0923 -16.0547 -16.0260 -15.9297 -15.9144 3.2613 3.2893 3.3985 3.4180 8.1795 8.2075 9.1652 9.1661 11.1167 11.1626 11.3462 11.3485 12.2806 12.2879 12.4121 12.4575 12.9911 13.0127 14.2966 14.3492 14.5883 14.6710 15.8789 15.9018 16.5495 16.5677 16.8868 16.9371 k =-0.2610 0.6244 0.6767 ( 2659 PWs) bands (ev): -40.5700 -40.5700 -40.5570 -40.5569 -18.1882 -18.1771 -18.1525 -18.1405 -16.1998 -16.1818 -16.0989 -16.0932 -16.0554 -16.0261 -15.9288 -15.9132 3.2480 3.2753 3.4285 3.4499 8.1699 8.1970 9.1601 9.1647 11.0750 11.1187 11.3350 11.3351 12.2829 12.2915 12.4664 12.5097 12.9856 13.0091 14.3180 14.3703 14.5526 14.6288 15.8502 15.8740 16.5850 16.5977 16.8757 16.9141 k =-0.2555 0.6114 0.6626 ( 2655 PWs) bands (ev): -40.5701 -40.5701 -40.5567 -40.5567 -18.1892 -18.1779 -18.1518 -18.1400 -16.2009 -16.1821 -16.0992 -16.0937 -16.0561 -16.0262 -15.9280 -15.9121 3.2296 3.2562 3.4571 3.4804 8.1678 8.1938 9.1580 9.1663 11.0327 11.0742 11.3246 11.3263 12.2865 12.2952 12.5183 12.5604 12.9826 13.0078 14.3386 14.3918 14.5177 14.5858 15.8211 15.8458 16.6093 16.6165 16.8642 16.8898 k =-0.2501 0.5984 0.6485 ( 2645 PWs) bands (ev): -40.5702 -40.5702 -40.5563 -40.5563 -18.1901 -18.1786 -18.1510 -18.1395 -16.2018 -16.1822 -16.0993 -16.0940 -16.0569 -16.0263 -15.9272 -15.9110 3.2062 3.2319 3.4842 3.5094 8.1730 8.1978 9.1588 9.1711 10.9903 11.0296 11.3169 11.3203 12.2913 12.2997 12.5672 12.6084 12.9825 13.0092 14.3565 14.4132 14.4856 14.5427 15.7918 15.8173 16.6217 16.6231 16.8532 16.8660 k =-0.2447 0.5854 0.6345 ( 2649 PWs) bands (ev): -40.5704 -40.5704 -40.5562 -40.5562 -18.1910 -18.1793 -18.1501 -18.1388 -16.2024 -16.1820 -16.0990 -16.0940 -16.0577 -16.0265 -15.9264 -15.9099 3.1781 3.2028 3.5098 3.5367 8.1851 8.2085 9.1626 9.1790 10.9481 10.9851 11.3119 11.3167 12.2973 12.3052 12.6124 12.6527 12.9860 13.0139 14.3663 14.4327 14.4616 14.5010 15.7623 15.7886 16.6168 16.6218 16.8440 16.8453 k =-0.2392 0.5724 0.6204 ( 2645 PWs) bands (ev): -40.5707 -40.5707 -40.5559 -40.5559 -18.1916 -18.1798 -18.1491 -18.1380 -16.2029 -16.1816 -16.0985 -16.0937 -16.0586 -16.0266 -15.9256 -15.9089 3.1453 3.1691 3.5338 3.5625 8.2035 8.2255 9.1696 9.1903 10.9068 10.9412 11.3097 11.3157 12.3048 12.3119 12.6529 12.6926 12.9935 13.0223 14.3582 14.4365 14.4553 14.4745 15.7328 15.7600 16.5972 16.6091 16.8300 16.8381 k =-0.2338 0.5594 0.6063 ( 2649 PWs) bands (ev): -40.5711 -40.5711 -40.5558 -40.5558 -18.1922 -18.1802 -18.1479 -18.1371 -16.2031 -16.1810 -16.0978 -16.0931 -16.0595 -16.0268 -15.9249 -15.9079 3.1083 3.1310 3.5561 3.5865 8.2278 8.2481 9.1799 9.2049 10.8665 10.8983 11.3101 11.3171 12.3137 12.3199 12.6884 12.7274 13.0053 13.0344 14.3333 14.4019 14.4658 14.4861 15.7034 15.7313 16.5652 16.5843 16.8210 16.8368 k =-0.2283 0.5464 0.5922 ( 2643 PWs) bands (ev): -40.5714 -40.5714 -40.5555 -40.5555 -18.1927 -18.1805 -18.1466 -18.1361 -16.2032 -16.1802 -16.0967 -16.0923 -16.0603 -16.0270 -15.9241 -15.9070 3.0672 3.0888 3.5766 3.6088 8.2572 8.2757 9.1937 9.2230 10.8279 10.8566 11.3131 11.3210 12.3241 12.3294 12.7186 12.7570 13.0212 13.0499 14.3015 14.3594 14.4833 14.5053 15.6742 15.7028 16.5236 16.5491 16.8177 16.8400 k =-0.2229 0.5333 0.5781 ( 2639 PWs) bands (ev): -40.5718 -40.5718 -40.5553 -40.5553 -18.1930 -18.1807 -18.1451 -18.1349 -16.2030 -16.1792 -16.0954 -16.0912 -16.0612 -16.0272 -15.9235 -15.9061 3.0224 3.0430 3.5955 3.6293 8.2909 8.3073 9.2112 9.2449 10.7912 10.8167 11.3186 11.3273 12.3359 12.3403 12.7439 12.7818 13.0405 13.0681 14.2679 14.3165 14.5029 14.5249 15.6453 15.6747 16.4751 16.5060 16.8186 16.8472 k =-0.2175 0.5203 0.5640 ( 2639 PWs) bands (ev): -40.5722 -40.5722 -40.5552 -40.5552 -18.1933 -18.1808 -18.1436 -18.1337 -16.2026 -16.1779 -16.0938 -16.0898 -16.0622 -16.0273 -15.9228 -15.9052 2.9743 2.9937 3.6125 3.6479 8.3280 8.3421 9.2329 9.2707 10.7569 10.7789 11.3266 11.3359 12.3493 12.3527 12.7648 12.8024 13.0618 13.0876 14.2344 14.2741 14.5228 14.5439 15.6168 15.6469 16.4222 16.4571 16.8226 16.8576 k =-0.2120 0.5073 0.5499 ( 2639 PWs) bands (ev): -40.5726 -40.5726 -40.5551 -40.5551 -18.1934 -18.1809 -18.1419 -18.1323 -16.2021 -16.1765 -16.0920 -16.0882 -16.0631 -16.0275 -15.9222 -15.9044 2.9232 2.9415 3.6278 3.6647 8.3675 8.3788 9.2592 9.3008 10.7254 10.7437 11.3369 11.3468 12.3641 12.3665 12.7825 12.8198 13.0837 13.1067 14.2018 14.2329 14.5425 14.5621 15.5889 15.6197 16.3669 16.4045 16.8288 16.8707 k =-0.2066 0.4943 0.5358 ( 2631 PWs) bands (ev): -40.5729 -40.5729 -40.5550 -40.5550 -18.1935 -18.1808 -18.1401 -18.1308 -16.2014 -16.1749 -16.0900 -16.0863 -16.0639 -16.0276 -15.9216 -15.9035 2.8695 2.8867 3.6412 3.6796 8.4083 8.4164 9.2905 9.3355 10.6971 10.7113 11.3494 11.3600 12.3804 12.3818 12.7977 12.8349 13.1047 13.1242 14.1707 14.1933 14.5614 14.5793 15.5617 15.5931 16.3105 16.3498 16.8365 16.8857 k =-0.2012 0.4813 0.5217 ( 2631 PWs) bands (ev): -40.5733 -40.5733 -40.5551 -40.5550 -18.1934 -18.1807 -18.1382 -18.1292 -16.2005 -16.1731 -16.0877 -16.0843 -16.0647 -16.0277 -15.9210 -15.9028 2.8135 2.8297 3.6530 3.6927 8.4493 8.4536 9.3273 9.3753 10.6724 10.6824 11.3642 11.3753 12.3982 12.3985 12.8114 12.8483 13.1232 13.1387 14.1413 14.1555 14.5795 14.5953 15.5353 15.5674 16.2545 16.2946 16.8450 16.9020 k =-0.1957 0.4683 0.5076 ( 2627 PWs) bands (ev): -40.5738 -40.5738 -40.5550 -40.5550 -18.1932 -18.1805 -18.1361 -18.1275 -16.1995 -16.1712 -16.0853 -16.0819 -16.0655 -16.0277 -15.9205 -15.9020 2.7556 2.7707 3.6629 3.7039 8.4892 8.4893 9.3702 9.4205 10.6516 10.6572 11.3811 11.3926 12.4166 12.4173 12.8239 12.8606 13.1382 13.1491 14.1139 14.1198 14.5966 14.6103 15.5098 15.5426 16.1998 16.2399 16.8533 16.9184 k =-0.1903 0.4553 0.4935 ( 2635 PWs) bands (ev): -40.5744 -40.5743 -40.5551 -40.5551 -18.1930 -18.1803 -18.1340 -18.1257 -16.1984 -16.1692 -16.0828 -16.0795 -16.0661 -16.0277 -15.9200 -15.9013 2.6961 2.7103 3.6712 3.7133 8.5220 8.5272 9.4197 9.4715 10.6352 10.6362 11.4000 11.4120 12.4361 12.4378 12.8357 12.8720 13.1489 13.1548 14.0863 14.0883 14.6127 14.6242 15.4855 15.5189 16.1474 16.1868 16.8605 16.9323 k =-0.1848 0.4423 0.4794 ( 2631 PWs) bands (ev): -40.5748 -40.5748 -40.5551 -40.5551 -18.1927 -18.1799 -18.1319 -18.1238 -16.1971 -16.1671 -16.0803 -16.0768 -16.0664 -16.0276 -15.9195 -15.9006 2.6353 2.6486 3.6778 3.7209 8.5511 8.5618 9.4760 9.5287 10.6198 10.6233 11.4209 11.4332 12.4568 12.4596 12.8469 12.8827 13.1546 13.1555 14.0548 14.0644 14.6277 14.6370 15.4624 15.4964 16.0981 16.1364 16.8652 16.9369 k =-0.1794 0.4293 0.4653 ( 2635 PWs) bands (ev): -40.5754 -40.5754 -40.5552 -40.5552 -18.1923 -18.1796 -18.1296 -18.1219 -16.1956 -16.1648 -16.0779 -16.0739 -16.0663 -16.0274 -15.9190 -15.8999 2.5736 2.5860 3.6828 3.7268 8.5757 8.5923 9.5393 9.5922 10.6083 10.6164 11.4435 11.4562 12.4787 12.4825 12.8574 12.8927 13.1511 13.1550 14.0253 14.0415 14.6419 14.6489 15.4407 15.4754 16.0527 16.0895 16.8661 16.9249 k =-0.1740 0.4163 0.4512 ( 2639 PWs) bands (ev): -40.5760 -40.5760 -40.5554 -40.5554 -18.1918 -18.1791 -18.1273 -18.1199 -16.1941 -16.1626 -16.0759 -16.0710 -16.0656 -16.0271 -15.9185 -15.8993 2.5113 2.5228 3.6863 3.7310 8.5955 8.6181 9.6094 9.6621 10.6020 10.6146 11.4679 11.4808 12.5016 12.5065 12.8673 12.9017 13.1418 13.1501 13.9974 14.0194 14.6551 14.6598 15.4206 15.4559 16.0119 16.0469 16.8631 16.9029 k =-0.1685 0.4033 0.4371 ( 2635 PWs) bands (ev): -40.5765 -40.5765 -40.5555 -40.5555 -18.1912 -18.1786 -18.1249 -18.1178 -16.1925 -16.1603 -16.0745 -16.0679 -16.0640 -16.0267 -15.9181 -15.8987 2.4486 2.4593 3.6882 3.7335 8.6101 8.6387 9.6860 9.7380 10.6012 10.6182 11.4938 11.5070 12.5256 12.5316 12.8763 12.9097 13.1279 13.1401 13.9705 13.9971 14.6676 14.6700 15.4021 15.4381 15.9765 16.0093 16.8573 16.8796 k =-0.1631 0.3903 0.4230 ( 2639 PWs) bands (ev): -40.5770 -40.5770 -40.5558 -40.5557 -18.1906 -18.1781 -18.1224 -18.1157 -16.1909 -16.1580 -16.0737 -16.0647 -16.0615 -16.0261 -15.9176 -15.8981 2.3858 2.3957 3.6888 3.7345 8.6197 8.6539 9.7685 9.8197 10.6060 10.6271 11.5212 11.5346 12.5504 12.5574 12.8841 12.9163 13.1102 13.1255 13.9440 13.9743 14.6795 14.6796 15.3855 15.4222 15.9468 15.9774 16.8510 16.8591 k =-0.1577 0.3772 0.4089 ( 2633 PWs) bands (ev): -40.5775 -40.5775 -40.5559 -40.5559 -18.1900 -18.1776 -18.1199 -18.1135 -16.1891 -16.1557 -16.0733 -16.0616 -16.0584 -16.0253 -15.9172 -15.8975 2.3232 2.3323 3.6880 3.7341 8.6245 8.6638 9.8562 9.9066 10.6167 10.6416 11.5498 11.5635 12.5758 12.5840 12.8907 12.9213 13.0892 13.1067 13.9175 13.9502 14.6887 14.6909 15.3709 15.4083 15.9234 15.9517 16.8432 16.8467 k =-0.1522 0.3642 0.3948 ( 2637 PWs) bands (ev): -40.5781 -40.5781 -40.5562 -40.5561 -18.1892 -18.1770 -18.1174 -18.1113 -16.1874 -16.1535 -16.0730 -16.0584 -16.0549 -16.0243 -15.9168 -15.8970 2.2609 2.2694 3.6860 3.7322 8.6247 8.6687 9.9484 9.9980 10.6333 10.6618 11.5796 11.5934 12.6018 12.6112 12.8956 12.9242 13.0657 13.0844 13.8904 13.9244 14.6976 14.7019 15.3584 15.3966 15.9067 15.9327 16.8327 16.8461 k =-0.1468 0.3512 0.3807 ( 2641 PWs) bands (ev): -40.5787 -40.5787 -40.5564 -40.5564 -18.1885 -18.1764 -18.1149 -18.1090 -16.1856 -16.1515 -16.0726 -16.0553 -16.0511 -16.0231 -15.9163 -15.8964 2.1992 2.2070 3.6829 3.7291 8.6209 8.6687 10.0442 10.0930 10.6559 10.6876 11.6104 11.6244 12.6281 12.6387 12.8986 12.9245 13.0405 13.0593 13.8621 13.8967 14.7064 14.7128 15.3482 15.3871 15.8969 15.9206 16.8284 16.8505 k =-0.1414 0.3382 0.3666 ( 2637 PWs) bands (ev): -40.5793 -40.5793 -40.5565 -40.5565 -18.1876 -18.1757 -18.1123 -18.1068 -16.1838 -16.1495 -16.0721 -16.0522 -16.0472 -16.0217 -15.9159 -15.8959 2.1384 2.1455 3.6787 3.7247 8.6136 8.6645 10.1425 10.1907 10.6847 10.7193 11.6421 11.6561 12.6545 12.6664 12.8994 12.9215 13.0149 13.0320 13.8325 13.8669 14.7153 14.7238 15.3405 15.3801 15.8943 15.9159 16.8307 16.8606 k =-0.1359 0.3252 0.3525 ( 2633 PWs) bands (ev): -40.5799 -40.5799 -40.5566 -40.5566 -18.1868 -18.1751 -18.1098 -18.1045 -16.1820 -16.1477 -16.0713 -16.0493 -16.0432 -16.0200 -15.9154 -15.8954 2.0784 2.0850 3.6736 3.7193 8.6030 8.6564 10.2422 10.2897 10.7202 10.7571 11.6744 11.6884 12.6807 12.6939 12.8978 12.9140 12.9903 13.0033 13.8014 13.8350 14.7245 14.7351 15.3353 15.3757 15.8990 15.9185 16.8396 16.8771 k =-0.1305 0.3122 0.3384 ( 2629 PWs) bands (ev): -40.5804 -40.5804 -40.5568 -40.5568 -18.1859 -18.1744 -18.1072 -18.1023 -16.1802 -16.1462 -16.0704 -16.0465 -16.0391 -16.0179 -15.9149 -15.8949 2.0197 2.0257 3.6677 3.7129 8.5899 8.6449 10.3421 10.3886 10.7630 10.8014 11.7071 11.7212 12.7064 12.7211 12.8936 12.9006 12.9686 12.9739 13.7688 13.8012 14.7342 14.7468 15.3329 15.3739 15.9111 15.9287 16.8551 16.8998 k =-0.1250 0.2992 0.3243 ( 2623 PWs) bands (ev): -40.5809 -40.5809 -40.5569 -40.5569 -18.1850 -18.1738 -18.1047 -18.1000 -16.1784 -16.1448 -16.0692 -16.0440 -16.0350 -16.0157 -15.9144 -15.8944 1.9622 1.9678 3.6610 3.7056 8.5745 8.6305 10.4406 10.4854 10.8141 10.8529 11.7402 11.7542 12.7310 12.7472 12.8810 12.8865 12.9449 12.9510 13.7347 13.7657 14.7447 14.7591 15.3332 15.3748 15.9305 15.9463 16.8771 16.9290 k =-0.1196 0.2862 0.3102 ( 2627 PWs) bands (ev): -40.5815 -40.5815 -40.5573 -40.5573 -18.1840 -18.1732 -18.1022 -18.0978 -16.1767 -16.1437 -16.0677 -16.0416 -16.0309 -16.0131 -15.9139 -15.8940 1.9062 1.9113 3.6537 3.6975 8.5573 8.6138 10.5360 10.5775 10.8750 10.9124 11.7734 11.7872 12.7532 12.7710 12.8571 12.8762 12.9180 12.9368 13.6994 13.7288 14.7562 14.7723 15.3365 15.3786 15.9570 15.9712 16.9052 16.9642 k =-0.1142 0.2732 0.2961 ( 2635 PWs) bands (ev): -40.5822 -40.5822 -40.5576 -40.5576 -18.1831 -18.1725 -18.0997 -18.0956 -16.1750 -16.1429 -16.0660 -16.0394 -16.0268 -16.0104 -15.9133 -15.8935 1.8518 1.8564 3.6459 3.6887 8.5387 8.5951 10.6265 10.6628 10.9471 10.9807 11.8065 11.8200 12.7698 12.7889 12.8336 12.8641 12.8956 12.9249 13.6632 13.6909 14.7687 14.7864 15.3427 15.3852 15.9906 16.0032 16.9390 17.0052 k =-0.1087 0.2602 0.2820 ( 2631 PWs) bands (ev): -40.5827 -40.5827 -40.5578 -40.5578 -18.1822 -18.1719 -18.0973 -18.0934 -16.1734 -16.1422 -16.0641 -16.0373 -16.0227 -16.0075 -15.9127 -15.8930 1.7991 1.8034 3.6376 3.6794 8.5191 8.5749 10.7110 10.7403 11.0304 11.0582 11.8394 11.8525 12.7701 12.7917 12.8210 12.8564 12.8810 12.9157 13.6263 13.6523 14.7825 14.8018 15.3520 15.3947 16.0308 16.0420 16.9779 17.0514 k =-0.1033 0.2472 0.2679 ( 2623 PWs) bands (ev): -40.5831 -40.5831 -40.5580 -40.5580 -18.1812 -18.1713 -18.0949 -18.0913 -16.1719 -16.1418 -16.0620 -16.0354 -16.0187 -16.0046 -15.9120 -15.8926 1.7483 1.7522 3.6291 3.6697 8.4988 8.5536 10.7891 10.8106 11.1232 11.1443 11.8718 11.8845 12.7493 12.7749 12.8221 12.8481 12.8840 12.9116 13.5891 13.6135 14.7978 14.8184 15.3642 15.4071 16.0773 16.0871 17.0211 17.1019 k =-0.0979 0.2342 0.2538 ( 2627 PWs) bands (ev): -40.5837 -40.5837 -40.5583 -40.5583 -18.1802 -18.1707 -18.0926 -18.0893 -16.1704 -16.1416 -16.0596 -16.0335 -16.0148 -16.0015 -15.9113 -15.8921 1.6995 1.7030 3.6204 3.6596 8.4782 8.5316 10.8614 10.8756 11.2229 11.2375 11.9035 11.9157 12.7208 12.7487 12.8208 12.8331 12.9009 12.9153 13.5518 13.5746 14.8146 14.8364 15.3794 15.4222 16.1296 16.1381 17.0674 17.1547 k =-0.0924 0.2211 0.2397 ( 2629 PWs) bands (ev): -40.5842 -40.5842 -40.5585 -40.5585 -18.1793 -18.1702 -18.0904 -18.0873 -16.1690 -16.1416 -16.0572 -16.0318 -16.0110 -15.9985 -15.9105 -15.8917 1.6527 1.6559 3.6115 3.6493 8.4574 8.5091 10.9290 10.9370 11.3267 11.3356 11.9344 11.9459 12.6904 12.7194 12.8125 12.8159 12.9212 12.9264 13.5149 13.5362 14.8330 14.8558 15.3975 15.4402 16.1871 16.1942 17.1154 17.2018 k =-0.0870 0.2081 0.2256 ( 2633 PWs) bands (ev): -40.5848 -40.5848 -40.5588 -40.5588 -18.1784 -18.1697 -18.0883 -18.0854 -16.1677 -16.1417 -16.0546 -16.0302 -16.0073 -15.9956 -15.9096 -15.8913 1.6081 1.6110 3.6027 3.6389 8.4368 8.4865 10.9931 10.9961 11.4324 11.4366 11.9643 11.9750 12.6595 12.6891 12.7979 12.7994 12.9416 12.9418 13.4785 13.4985 14.8530 14.8766 15.4184 15.4607 16.2490 16.2548 17.1624 17.2269 k =-0.0816 0.1951 0.2115 ( 2635 PWs) bands (ev): -40.5853 -40.5853 -40.5591 -40.5591 -18.1775 -18.1692 -18.0862 -18.0835 -16.1664 -16.1420 -16.0519 -16.0286 -16.0038 -15.9928 -15.9086 -15.8909 1.5657 1.5683 3.5939 3.6284 8.4166 8.4641 11.0535 11.0545 11.5381 11.5386 11.9930 12.0028 12.6287 12.6586 12.7798 12.7839 12.9583 12.9617 13.4431 13.4617 14.8747 14.8989 15.4418 15.4836 16.3146 16.3188 17.2049 17.2367 k =-0.0761 0.1821 0.1974 ( 2639 PWs) bands (ev): -40.5858 -40.5857 -40.5594 -40.5594 -18.1766 -18.1688 -18.0843 -18.0818 -16.1652 -16.1424 -16.0492 -16.0271 -16.0004 -15.9901 -15.9076 -15.8906 1.5258 1.5281 3.5854 3.6181 8.3970 8.4420 11.1097 11.1138 11.6398 11.6423 12.0204 12.0290 12.5982 12.6284 12.7621 12.7677 12.9751 12.9805 13.4087 13.4261 14.8979 14.9225 15.4677 15.5087 16.3828 16.3854 17.2393 17.2418 k =-0.0707 0.1691 0.1833 ( 2633 PWs) bands (ev): -40.5861 -40.5861 -40.5596 -40.5596 -18.1757 -18.1684 -18.0824 -18.0801 -16.1641 -16.1429 -16.0465 -16.0258 -15.9972 -15.9875 -15.9065 -15.8902 1.4882 1.4903 3.5771 3.6079 8.3781 8.4206 11.1647 11.1712 11.7387 11.7439 12.0462 12.0536 12.5685 12.5988 12.7453 12.7520 12.9912 12.9980 13.3757 13.3920 14.9226 14.9472 15.4957 15.5356 16.4525 16.4533 17.2453 17.2643 k =-0.0652 0.1561 0.1692 ( 2635 PWs) bands (ev): -40.5865 -40.5865 -40.5598 -40.5598 -18.1748 -18.1680 -18.0807 -18.0786 -16.1630 -16.1435 -16.0438 -16.0245 -15.9941 -15.9852 -15.9054 -15.8899 1.4531 1.4550 3.5691 3.5979 8.3602 8.3999 11.2184 11.2269 11.8338 11.8413 12.0704 12.0763 12.5397 12.5701 12.7300 12.7376 13.0063 13.0139 13.3442 13.3594 14.9485 14.9730 15.5253 15.5641 16.5210 16.5223 17.2485 17.2824 k =-0.0598 0.1431 0.1551 ( 2641 PWs) bands (ev): -40.5869 -40.5869 -40.5601 -40.5601 -18.1740 -18.1677 -18.0790 -18.0772 -16.1620 -16.1442 -16.0412 -16.0233 -15.9913 -15.9830 -15.9042 -15.8897 1.4206 1.4223 3.5617 3.5884 8.3434 8.3802 11.2708 11.2808 11.9236 11.9333 12.0927 12.0970 12.5124 12.5426 12.7170 12.7254 13.0201 13.0280 13.3145 13.3286 14.9753 14.9993 15.5564 15.5937 16.5869 16.5905 17.2527 17.2969 k =-0.0544 0.1301 0.1410 ( 2637 PWs) bands (ev): -40.5873 -40.5873 -40.5602 -40.5602 -18.1732 -18.1675 -18.0775 -18.0758 -16.1611 -16.1449 -16.0386 -16.0222 -15.9886 -15.9811 -15.9030 -15.8895 1.3908 1.3922 3.5547 3.5792 8.3278 8.3615 11.3216 11.3327 12.0062 12.0180 12.1130 12.1157 12.4871 12.5168 12.7072 12.7163 13.0323 13.0403 13.2868 13.2999 15.0028 15.0260 15.5883 15.6239 16.6492 16.6553 17.2592 17.3109 k =-0.0489 0.1171 0.1269 ( 2643 PWs) bands (ev): -40.5877 -40.5877 -40.5604 -40.5604 -18.1725 -18.1673 -18.0761 -18.0746 -16.1601 -16.1457 -16.0361 -16.0213 -15.9862 -15.9794 -15.9017 -15.8893 1.3636 1.3649 3.5483 3.5706 8.3135 8.3441 11.3704 11.3823 12.0795 12.0927 12.1313 12.1330 12.4646 12.4934 12.7015 12.7112 13.0426 13.0504 13.2613 13.2733 15.0304 15.0526 15.6205 15.6541 16.7060 16.7145 17.2695 17.3266 k =-0.0435 0.1041 0.1128 ( 2635 PWs) bands (ev): -40.5879 -40.5879 -40.5605 -40.5605 -18.1718 -18.1671 -18.0749 -18.0735 -16.1593 -16.1464 -16.0337 -16.0205 -15.9840 -15.9779 -15.9005 -15.8892 1.3391 1.3402 3.5425 3.5625 8.3007 8.3281 11.4170 11.4293 12.1375 12.1398 12.1509 12.1642 12.4463 12.4733 12.7010 12.7111 13.0509 13.0581 13.2385 13.2492 15.0578 15.0785 15.6525 15.6837 16.7555 16.7660 17.2850 17.3455 k =-0.0381 0.0911 0.0987 ( 2631 PWs) bands (ev): -40.5882 -40.5882 -40.5605 -40.5605 -18.1711 -18.1670 -18.0737 -18.0726 -16.1584 -16.1472 -16.0315 -16.0199 -15.9820 -15.9766 -15.8992 -15.8892 1.3175 1.3184 3.5375 3.5551 8.2894 8.3135 11.4608 11.4731 12.1530 12.1565 12.1928 12.2129 12.4335 12.4575 12.7068 12.7169 13.0566 13.0628 13.2186 13.2280 15.0843 15.1034 15.6836 15.7121 16.7965 16.8080 17.3067 17.3682 k =-0.0326 0.0781 0.0846 ( 2627 PWs) bands (ev): -40.5883 -40.5883 -40.5606 -40.5606 -18.1705 -18.1669 -18.0727 -18.0717 -16.1576 -16.1480 -16.0294 -16.0194 -15.9802 -15.9756 -15.8979 -15.8893 1.2986 1.2994 3.5332 3.5484 8.2797 8.3005 11.5014 11.5134 12.1609 12.1657 12.2264 12.2489 12.4273 12.4472 12.7193 12.7288 13.0593 13.0643 13.2023 13.2100 15.1093 15.1263 15.7131 15.7385 16.8284 16.8400 17.3343 17.3943 k =-0.0272 0.0650 0.0705 ( 2627 PWs) bands (ev): -40.5885 -40.5885 -40.5607 -40.5607 -18.1699 -18.1669 -18.0719 -18.0711 -16.1568 -16.1488 -16.0275 -16.0191 -15.9786 -15.9747 -15.8967 -15.8894 1.2826 1.2833 3.5297 3.5424 8.2717 8.2890 11.5382 11.5494 12.1653 12.1706 12.2471 12.2705 12.4271 12.4422 12.7380 12.7463 13.0587 13.0622 13.1899 13.1956 15.1322 15.1469 15.7402 15.7622 16.8520 16.8625 17.3661 17.4219 k =-0.0217 0.0520 0.0564 ( 2627 PWs) bands (ev): -40.5887 -40.5887 -40.5607 -40.5607 -18.1693 -18.1670 -18.0711 -18.0705 -16.1560 -16.1496 -16.0257 -16.0190 -15.9772 -15.9742 -15.8956 -15.8897 1.2695 1.2700 3.5270 3.5372 8.2653 8.2793 11.5704 11.5804 12.1669 12.1716 12.2590 12.2809 12.4304 12.4412 12.7606 12.7673 13.0547 13.0567 13.1813 13.1852 15.1524 15.1646 15.7642 15.7824 16.8684 16.8771 17.3996 17.4482 k =-0.0163 0.0390 0.0423 ( 2635 PWs) bands (ev): -40.5889 -40.5889 -40.5610 -40.5609 -18.1689 -18.1671 -18.0706 -18.0701 -16.1552 -16.1505 -16.0242 -16.0192 -15.9761 -15.9738 -15.8945 -15.8901 1.2593 1.2597 3.5252 3.5328 8.2607 8.2712 11.5972 11.6054 12.1662 12.1697 12.2662 12.2842 12.4344 12.4417 12.7841 12.7890 13.0482 13.0490 13.1759 13.1783 15.1691 15.1785 15.7844 15.7984 16.8792 16.8858 17.4312 17.4696 k =-0.0109 0.0260 0.0282 ( 2633 PWs) bands (ev): -40.5889 -40.5889 -40.5610 -40.5610 -18.1685 -18.1673 -18.0701 -18.0698 -16.1544 -16.1513 -16.0228 -16.0195 -15.9752 -15.9736 -15.8935 -15.8906 1.2520 1.2523 3.5242 3.5293 8.2580 8.2650 11.6178 11.6236 12.1644 12.1666 12.2714 12.2840 12.4379 12.4424 12.8049 12.8081 13.0408 13.0409 13.1730 13.1742 15.1820 15.1884 15.8001 15.8096 16.8860 16.8904 17.4570 17.4816 k =-0.0054 0.0130 0.0141 ( 2637 PWs) bands (ev): -40.5890 -40.5890 -40.5611 -40.5611 -18.1681 -18.1675 -18.0698 -18.0697 -16.1536 -16.1521 -16.0217 -16.0200 -15.9745 -15.9737 -15.8926 -15.8911 1.2476 1.2478 3.5241 3.5267 8.2570 8.2605 11.6313 11.6343 12.1628 12.1638 12.2756 12.2820 12.4404 12.4426 12.8197 12.8212 13.0346 13.0347 13.1716 13.1721 15.1906 15.1938 15.8107 15.8155 16.8901 16.8923 17.4724 17.4821 k = 0.0000 0.0000 0.0000 ( 2633 PWs) bands (ev): -40.5890 -40.5890 -40.5611 -40.5611 -18.1677 -18.1677 -18.0697 -18.0697 -16.1528 -16.1528 -16.0207 -16.0207 -15.9740 -15.9740 -15.8918 -15.8918 1.2462 1.2462 3.5250 3.5250 8.2578 8.2578 11.6369 11.6369 12.1624 12.1624 12.2792 12.2792 12.4419 12.4419 12.8254 12.8254 13.0323 13.0323 13.1713 13.1713 15.1946 15.1946 15.8159 15.8159 16.8921 16.8921 17.4783 17.4783 k = 0.0000 0.0000 0.0000 ( 2633 PWs) bands (ev): -40.5890 -40.5890 -40.5611 -40.5611 -18.1677 -18.1677 -18.0697 -18.0697 -16.1528 -16.1528 -16.0207 -16.0207 -15.9740 -15.9740 -15.8918 -15.8918 1.2462 1.2462 3.5250 3.5250 8.2578 8.2578 11.6369 11.6369 12.1624 12.1624 12.2792 12.2792 12.4419 12.4419 12.8254 12.8254 13.0323 13.0323 13.1713 13.1713 15.1946 15.1946 15.8159 15.8159 16.8921 16.8921 17.4783 17.4783 k = 0.0185 0.0077-0.0000 ( 2641 PWs) bands (ev): -40.5890 -40.5890 -40.5612 -40.5612 -18.1677 -18.1677 -18.0698 -18.0698 -16.1527 -16.1527 -16.0208 -16.0208 -15.9740 -15.9740 -15.8920 -15.8920 1.2476 1.2476 3.5219 3.5219 8.2623 8.2623 11.6355 11.6355 12.1604 12.1604 12.2761 12.2761 12.4400 12.4400 12.8238 12.8238 13.0367 13.0367 13.1745 13.1745 15.1951 15.1951 15.8153 15.8153 16.8958 16.8958 17.4731 17.4731 k = 0.0370 0.0155-0.0000 ( 2633 PWs) bands (ev): -40.5889 -40.5889 -40.5612 -40.5612 -18.1674 -18.1674 -18.0700 -18.0700 -16.1522 -16.1522 -16.0209 -16.0209 -15.9739 -15.9739 -15.8925 -15.8925 1.2519 1.2519 3.5127 3.5127 8.2757 8.2757 11.6315 11.6315 12.1543 12.1543 12.2670 12.2670 12.4343 12.4343 12.8188 12.8188 13.0498 13.0498 13.1839 13.1839 15.1965 15.1965 15.8135 15.8135 16.9070 16.9070 17.4577 17.4577 k = 0.0556 0.0232 0.0000 ( 2625 PWs) bands (ev): -40.5886 -40.5886 -40.5612 -40.5612 -18.1669 -18.1669 -18.0704 -18.0704 -16.1514 -16.1514 -16.0210 -16.0210 -15.9739 -15.9739 -15.8933 -15.8933 1.2589 1.2589 3.4974 3.4974 8.2980 8.2980 11.6248 11.6248 12.1445 12.1445 12.2527 12.2527 12.4250 12.4250 12.8106 12.8106 13.0707 13.0707 13.1993 13.1993 15.1989 15.1989 15.8106 15.8106 16.9253 16.9253 17.4330 17.4330 k = 0.0741 0.0310-0.0000 ( 2629 PWs) bands (ev): -40.5886 -40.5886 -40.5614 -40.5614 -18.1663 -18.1663 -18.0709 -18.0709 -16.1503 -16.1503 -16.0212 -16.0212 -15.9738 -15.9738 -15.8944 -15.8944 1.2687 1.2687 3.4764 3.4764 8.3288 8.3288 11.6156 11.6156 12.1314 12.1314 12.2338 12.2338 12.4122 12.4122 12.7991 12.7991 13.0984 13.0984 13.2201 13.2201 15.2022 15.2022 15.8065 15.8065 16.9504 16.9504 17.4002 17.4002 k = 0.0926 0.0387-0.0000 ( 2629 PWs) bands (ev): -40.5884 -40.5884 -40.5616 -40.5616 -18.1656 -18.1656 -18.0716 -18.0716 -16.1489 -16.1489 -16.0215 -16.0215 -15.9737 -15.9737 -15.8959 -15.8959 1.2813 1.2813 3.4498 3.4498 8.3680 8.3680 11.6039 11.6039 12.1154 12.1154 12.2114 12.2114 12.3961 12.3961 12.7841 12.7841 13.1316 13.1316 13.2459 13.2459 15.2064 15.2064 15.8013 15.8013 16.9818 16.9818 17.3607 17.3607 k = 0.1111 0.0464 0.0000 ( 2637 PWs) bands (ev): -40.5882 -40.5882 -40.5619 -40.5619 -18.1646 -18.1646 -18.0725 -18.0725 -16.1472 -16.1472 -16.0219 -16.0219 -15.9736 -15.9736 -15.8976 -15.8976 1.2967 1.2967 3.4179 3.4179 8.4153 8.4153 11.5899 11.5899 12.0972 12.0972 12.1865 12.1865 12.3771 12.3771 12.7653 12.7653 13.1694 13.1694 13.2760 13.2760 15.2115 15.2115 15.7949 15.7949 17.0187 17.0187 17.3157 17.3157 k = 0.1296 0.0542-0.0000 ( 2625 PWs) bands (ev): -40.5876 -40.5876 -40.5623 -40.5623 -18.1635 -18.1635 -18.0734 -18.0734 -16.1452 -16.1452 -16.0223 -16.0223 -15.9734 -15.9734 -15.8996 -15.8996 1.3148 1.3148 3.3811 3.3811 8.4701 8.4701 11.5738 11.5738 12.0772 12.0772 12.1597 12.1597 12.3555 12.3555 12.7423 12.7423 13.2109 13.2109 13.3098 13.3098 15.2176 15.2176 15.7876 15.7876 17.0599 17.0599 17.2665 17.2665 k = 0.1481 0.0619-0.0000 ( 2625 PWs) bands (ev): -40.5872 -40.5872 -40.5626 -40.5626 -18.1622 -18.1622 -18.0746 -18.0746 -16.1429 -16.1429 -16.0228 -16.0228 -15.9732 -15.9732 -15.9019 -15.9019 1.3356 1.3356 3.3398 3.3398 8.5323 8.5323 11.5555 11.5555 12.0559 12.0559 12.1319 12.1319 12.3317 12.3317 12.7150 12.7150 13.2553 13.2553 13.3468 13.3468 15.2245 15.2245 15.7791 15.7791 17.1027 17.1027 17.2140 17.2140 k = 0.1667 0.0697-0.0000 ( 2625 PWs) bands (ev): -40.5868 -40.5868 -40.5630 -40.5630 -18.1608 -18.1608 -18.0759 -18.0759 -16.1403 -16.1403 -16.0234 -16.0234 -15.9730 -15.9730 -15.9044 -15.9044 1.3591 1.3591 3.2944 3.2944 8.6012 8.6012 11.5353 11.5353 12.0340 12.0340 12.1036 12.1036 12.3060 12.3060 12.6829 12.6829 13.3019 13.3019 13.3862 13.3862 15.2323 15.2323 15.7696 15.7696 17.1327 17.1327 17.1591 17.1591 k = 0.1852 0.0774-0.0000 ( 2628 PWs) bands (ev): -40.5864 -40.5864 -40.5635 -40.5635 -18.1593 -18.1593 -18.0773 -18.0773 -16.1375 -16.1375 -16.0241 -16.0241 -15.9728 -15.9728 -15.9071 -15.9071 1.3853 1.3853 3.2453 3.2453 8.6764 8.6764 11.5131 11.5131 12.0116 12.0116 12.0753 12.0753 12.2789 12.2789 12.6461 12.6461 13.3501 13.3501 13.4277 13.4277 15.2410 15.2410 15.7592 15.7592 17.1026 17.1026 17.1087 17.1087 k = 0.2037 0.0851 0.0000 ( 2624 PWs) bands (ev): -40.5859 -40.5859 -40.5639 -40.5639 -18.1575 -18.1575 -18.0788 -18.0788 -16.1344 -16.1344 -16.0250 -16.0250 -15.9725 -15.9725 -15.9100 -15.9100 1.4140 1.4140 3.1928 3.1928 8.7576 8.7576 11.4888 11.4888 11.9892 11.9892 12.0473 12.0473 12.2507 12.2507 12.6045 12.6045 13.3994 13.3994 13.4706 13.4706 15.2504 15.2504 15.7478 15.7478 17.0450 17.0450 17.0571 17.0571 k = 0.2222 0.0929 0.0000 ( 2632 PWs) bands (ev): -40.5856 -40.5856 -40.5644 -40.5644 -18.1557 -18.1557 -18.0806 -18.0806 -16.1310 -16.1310 -16.0259 -16.0259 -15.9722 -15.9722 -15.9132 -15.9132 1.4454 1.4454 3.1375 3.1375 8.8443 8.8443 11.4623 11.4623 11.9672 11.9672 12.0200 12.0200 12.2219 12.2219 12.5584 12.5584 13.4493 13.4493 13.5145 13.5145 15.2607 15.2607 15.7355 15.7355 16.9870 16.9870 17.0005 17.0005 k = 0.2407 0.1006-0.0000 ( 2620 PWs) bands (ev): -40.5850 -40.5850 -40.5647 -40.5647 -18.1537 -18.1537 -18.0824 -18.0824 -16.1274 -16.1274 -16.0270 -16.0270 -15.9718 -15.9718 -15.9164 -15.9164 1.4792 1.4792 3.0796 3.0796 8.9359 8.9359 11.4334 11.4334 11.9457 11.9457 11.9937 11.9937 12.1928 12.1928 12.5082 12.5082 13.4994 13.4994 13.5588 13.5588 15.2718 15.2718 15.7225 15.7225 16.9292 16.9292 16.9427 16.9427 k = 0.2593 0.1084-0.0000 ( 2608 PWs) bands (ev): -40.5843 -40.5843 -40.5651 -40.5651 -18.1516 -18.1516 -18.0843 -18.0843 -16.1236 -16.1236 -16.0283 -16.0283 -15.9714 -15.9714 -15.9197 -15.9197 1.5155 1.5155 3.0196 3.0196 9.0320 9.0320 11.4017 11.4017 11.9251 11.9251 11.9684 11.9684 12.1638 12.1638 12.4545 12.4545 13.5491 13.5491 13.6032 13.6032 15.2837 15.2837 15.7087 15.7087 16.8721 16.8721 16.8852 16.8852 k = 0.2778 0.1161-0.0000 ( 2608 PWs) bands (ev): -40.5837 -40.5837 -40.5658 -40.5658 -18.1494 -18.1494 -18.0863 -18.0863 -16.1196 -16.1196 -16.0297 -16.0297 -15.9709 -15.9709 -15.9231 -15.9231 1.5542 1.5542 2.9578 2.9578 9.1323 9.1323 11.3666 11.3666 11.9054 11.9054 11.9445 11.9445 12.1353 12.1353 12.3983 12.3983 13.5981 13.5981 13.6471 13.6471 15.2962 15.2962 15.6941 15.6941 16.8161 16.8161 16.8286 16.8286 k = 0.2963 0.1238-0.0000 ( 2608 PWs) bands (ev): -40.5830 -40.5830 -40.5665 -40.5665 -18.1470 -18.1470 -18.0885 -18.0885 -16.1155 -16.1155 -16.0313 -16.0313 -15.9704 -15.9704 -15.9266 -15.9266 1.5953 1.5953 2.8945 2.8945 9.2361 9.2361 11.3276 11.3276 11.8869 11.8869 11.9219 11.9219 12.1076 12.1076 12.3407 12.3407 13.6459 13.6459 13.6901 13.6901 15.3094 15.3094 15.6790 15.6790 16.7618 16.7618 16.7736 16.7736 k = 0.3148 0.1316-0.0000 ( 2612 PWs) bands (ev): -40.5824 -40.5824 -40.5671 -40.5671 -18.1446 -18.1446 -18.0908 -18.0908 -16.1111 -16.1111 -16.0332 -16.0332 -15.9698 -15.9698 -15.9301 -15.9301 1.6386 1.6386 2.8301 2.8301 9.3432 9.3432 11.2838 11.2838 11.8697 11.8697 11.9010 11.9010 12.0810 12.0810 12.2831 12.2831 13.6921 13.6921 13.7317 13.7317 15.3232 15.3232 15.6632 15.6632 16.7097 16.7097 16.7207 16.7207 k = 0.3333 0.1393-0.0000 ( 2612 PWs) bands (ev): -40.5817 -40.5817 -40.5679 -40.5679 -18.1421 -18.1421 -18.0931 -18.0931 -16.1067 -16.1067 -16.0352 -16.0352 -15.9692 -15.9692 -15.9335 -15.9335 1.6842 1.6842 2.7649 2.7649 9.4530 9.4530 11.2344 11.2344 11.8540 11.8540 11.8816 11.8816 12.0559 12.0559 12.2268 12.2268 13.7362 13.7362 13.7713 13.7713 15.3376 15.3376 15.6469 15.6469 16.6603 16.6603 16.6704 16.6704 k = 0.3519 0.1471-0.0000 ( 2612 PWs) bands (ev): -40.5810 -40.5810 -40.5686 -40.5686 -18.1396 -18.1396 -18.0956 -18.0956 -16.1021 -16.1021 -16.0375 -16.0375 -15.9684 -15.9684 -15.9368 -15.9368 1.7318 1.7318 2.6991 2.6991 9.5651 9.5651 11.1787 11.1787 11.8398 11.8398 11.8640 11.8640 12.0325 12.0325 12.1734 12.1734 13.7777 13.7777 13.8085 13.8085 15.3526 15.3526 15.6302 15.6302 16.6142 16.6142 16.6234 16.6234 k = 0.3704 0.1548-0.0000 ( 2612 PWs) bands (ev): -40.5802 -40.5802 -40.5693 -40.5693 -18.1369 -18.1369 -18.0981 -18.0981 -16.0974 -16.0974 -16.0401 -16.0401 -15.9676 -15.9676 -15.9401 -15.9401 1.7816 1.7816 2.6329 2.6329 9.6790 9.6790 11.1160 11.1160 11.8272 11.8272 11.8481 11.8481 12.0113 12.0113 12.1241 12.1241 13.8162 13.8162 13.8428 13.8428 15.3682 15.3682 15.6130 15.6130 16.5719 16.5719 16.5801 16.5801 k = 0.3889 0.1625-0.0000 ( 2612 PWs) bands (ev): -40.5794 -40.5794 -40.5701 -40.5701 -18.1342 -18.1342 -18.1007 -18.1007 -16.0927 -16.0927 -16.0429 -16.0429 -15.9666 -15.9666 -15.9432 -15.9432 1.8333 1.8333 2.5667 2.5667 9.7943 9.7943 11.0457 11.0457 11.8164 11.8164 11.8341 11.8341 11.9923 11.9923 12.0802 12.0802 13.8510 13.8510 13.8737 13.8737 15.3842 15.3842 15.5956 15.5956 16.5340 16.5340 16.5411 16.5411 k = 0.4074 0.1703-0.0000 ( 2612 PWs) bands (ev): -40.5786 -40.5786 -40.5709 -40.5709 -18.1315 -18.1315 -18.1033 -18.1033 -16.0880 -16.0880 -16.0460 -16.0460 -15.9656 -15.9656 -15.9462 -15.9462 1.8869 1.8869 2.5007 2.5007 9.9103 9.9103 10.9679 10.9679 11.8073 11.8073 11.8220 11.8220 11.9761 11.9761 12.0423 12.0423 13.8818 13.8818 13.9006 13.9006 15.4006 15.4006 15.5778 15.5778 16.5009 16.5009 16.5069 16.5069 k = 0.4259 0.1780-0.0000 ( 2620 PWs) bands (ev): -40.5780 -40.5780 -40.5717 -40.5717 -18.1287 -18.1287 -18.1061 -18.1061 -16.0833 -16.0833 -16.0493 -16.0493 -15.9644 -15.9644 -15.9490 -15.9490 1.9422 1.9422 2.4349 2.4349 10.0267 10.0267 10.8826 10.8826 11.8001 11.8001 11.8118 11.8118 11.9629 11.9629 12.0109 12.0109 13.9081 13.9081 13.9230 13.9230 15.4175 15.4175 15.5599 15.5599 16.4731 16.4731 16.4779 16.4779 k = 0.4444 0.1857 0.0000 ( 2632 PWs) bands (ev): -40.5774 -40.5774 -40.5727 -40.5727 -18.1259 -18.1259 -18.1088 -18.1088 -16.0786 -16.0786 -16.0529 -16.0529 -15.9631 -15.9631 -15.9516 -15.9516 1.9992 1.9992 2.3698 2.3698 10.1426 10.1426 10.7906 10.7906 11.7948 11.7948 11.8034 11.8034 11.9530 11.9530 11.9859 11.9859 13.9295 13.9295 13.9406 13.9406 15.4346 15.4346 15.5419 15.5419 16.4511 16.4511 16.4548 16.4548 k = 0.4630 0.1935-0.0000 ( 2636 PWs) bands (ev): -40.5766 -40.5766 -40.5736 -40.5736 -18.1230 -18.1230 -18.1116 -18.1116 -16.0740 -16.0740 -16.0567 -16.0567 -15.9616 -15.9616 -15.9540 -15.9540 2.0578 2.0578 2.3053 2.3053 10.2576 10.2576 10.6925 10.6925 11.7913 11.7913 11.7971 11.7971 11.9467 11.9467 11.9672 11.9672 13.9455 13.9455 13.9529 13.9529 15.4521 15.4521 15.5238 15.5238 16.4353 16.4353 16.4378 16.4378 k = 0.4815 0.2012-0.0000 ( 2636 PWs) bands (ev): -40.5759 -40.5759 -40.5743 -40.5743 -18.1202 -18.1202 -18.1145 -18.1145 -16.0694 -16.0694 -16.0608 -16.0608 -15.9600 -15.9600 -15.9562 -15.9562 2.1179 2.1179 2.2417 2.2417 10.3709 10.3709 10.5892 10.5892 11.7898 11.7898 11.7927 11.7927 11.9446 11.9446 11.9544 11.9544 13.9560 13.9560 13.9597 13.9597 15.4698 15.4698 15.5057 15.5057 16.4259 16.4259 16.4272 16.4272 k = 0.5000 0.2090-0.0000 ( 2640 PWs) bands (ev): -40.5751 -40.5751 -40.5751 -40.5751 -18.1173 -18.1173 -18.1173 -18.1173 -16.0650 -16.0650 -16.0650 -16.0650 -15.9582 -15.9582 -15.9582 -15.9582 2.1792 2.1792 2.1792 2.1792 10.4818 10.4818 10.4818 10.4818 11.7903 11.7903 11.7903 11.7903 11.9470 11.9470 11.9470 11.9470 13.9607 13.9607 13.9607 13.9607 15.4877 15.4877 15.4877 15.4877 16.4232 16.4232 16.4232 16.4232 k = 0.5000 0.2090-0.0000 ( 2640 PWs) bands (ev): -40.5751 -40.5751 -40.5751 -40.5751 -18.1173 -18.1173 -18.1173 -18.1173 -16.0650 -16.0650 -16.0650 -16.0650 -15.9582 -15.9582 -15.9582 -15.9582 2.1792 2.1792 2.1792 2.1792 10.4818 10.4818 10.4818 10.4818 11.7903 11.7903 11.7903 11.7903 11.9470 11.9470 11.9470 11.9470 13.9607 13.9607 13.9607 13.9607 15.4877 15.4877 15.4877 15.4877 16.4232 16.4232 16.4232 16.4232 k = 0.4946 0.2220 0.0141 ( 2636 PWs) bands (ev): -40.5751 -40.5751 -40.5751 -40.5751 -18.1177 -18.1175 -18.1173 -18.1170 -16.0665 -16.0665 -16.0637 -16.0636 -15.9596 -15.9593 -15.9572 -15.9570 2.1798 2.1802 2.1803 2.1811 10.4785 10.4820 10.4823 10.4827 11.7743 11.7761 11.7903 11.7912 11.9422 11.9451 11.9623 11.9635 13.9513 13.9528 13.9601 13.9640 15.4818 15.4854 15.4951 15.5004 16.4193 16.4198 16.4221 16.4258 k = 0.4891 0.2350 0.0282 ( 2636 PWs) bands (ev): -40.5750 -40.5750 -40.5750 -40.5750 -18.1181 -18.1178 -18.1173 -18.1168 -16.0681 -16.0681 -16.0625 -16.0622 -15.9611 -15.9605 -15.9563 -15.9560 2.1826 2.1834 2.1835 2.1854 10.4724 10.4802 10.4834 10.4848 11.7389 11.7425 11.7910 11.7928 11.9311 11.9370 11.9983 12.0007 13.9253 13.9282 13.9621 13.9699 15.4678 15.4751 15.5219 15.5323 16.4088 16.4101 16.4215 16.4294 k = 0.4837 0.2480 0.0423 ( 2646 PWs) bands (ev): -40.5751 -40.5751 -40.5750 -40.5750 -18.1186 -18.1182 -18.1176 -18.1167 -16.0698 -16.0698 -16.0614 -16.0609 -15.9629 -15.9619 -15.9555 -15.9551 2.1873 2.1886 2.1892 2.1922 10.4636 10.4752 10.4858 10.4879 11.6962 11.7017 11.7924 11.7951 11.9142 11.9228 12.0429 12.0464 13.8847 13.8887 13.9669 13.9784 15.4462 15.4570 15.5660 15.5816 16.3917 16.3940 16.4220 16.4342 k = 0.4783 0.2610 0.0564 ( 2642 PWs) bands (ev): -40.5750 -40.5750 -40.5749 -40.5749 -18.1192 -18.1187 -18.1179 -18.1166 -16.0717 -16.0716 -16.0604 -16.0597 -15.9649 -15.9635 -15.9548 -15.9544 2.1941 2.1956 2.1974 2.2015 10.4519 10.4673 10.4890 10.4920 11.6512 11.6586 11.7943 11.7979 11.8922 11.9034 12.0910 12.0955 13.8319 13.8368 13.9747 13.9897 15.4174 15.4315 15.6248 15.6457 16.3686 16.3719 16.4234 16.4402 k = 0.4728 0.2740 0.0704 ( 2642 PWs) bands (ev): -40.5748 -40.5748 -40.5748 -40.5748 -18.1199 -18.1194 -18.1183 -18.1167 -16.0737 -16.0736 -16.0595 -16.0585 -15.9671 -15.9652 -15.9541 -15.9538 2.2027 2.2046 2.2082 2.2133 10.4371 10.4562 10.4930 10.4968 11.6054 11.6147 11.7961 11.8004 11.8667 11.8801 12.1408 12.1461 13.7697 13.7751 13.9856 14.0040 15.3820 15.3994 15.6952 15.7216 16.3399 16.3443 16.4258 16.4478 k = 0.4674 0.2870 0.0845 ( 2642 PWs) bands (ev): -40.5747 -40.5747 -40.5746 -40.5746 -18.1206 -18.1202 -18.1189 -18.1168 -16.0759 -16.0756 -16.0587 -16.0573 -15.9696 -15.9671 -15.9534 -15.9533 2.2133 2.2156 2.2213 2.2275 10.4191 10.4418 10.4972 10.5019 11.5594 11.5703 11.7955 11.8008 11.8410 11.8561 12.1913 12.1973 13.7004 13.7060 13.9999 14.0214 15.3409 15.3612 15.7743 15.8067 16.3061 16.3119 16.4296 16.4575 k = 0.4620 0.3000 0.0986 ( 2636 PWs) bands (ev): -40.5745 -40.5745 -40.5743 -40.5743 -18.1215 -18.1210 -18.1196 -18.1170 -16.0783 -16.0778 -16.0579 -16.0562 -15.9722 -15.9691 -15.9529 -15.9528 2.2258 2.2284 2.2369 2.2441 10.3978 10.4240 10.5013 10.5070 11.5131 11.5255 11.7842 11.7925 11.8250 11.8391 12.2421 12.2486 13.6260 13.6317 14.0179 14.0421 15.2946 15.3178 15.8589 15.8983 16.2680 16.2753 16.4352 16.4700 k = 0.4565 0.3130 0.1127 ( 2634 PWs) bands (ev): -40.5743 -40.5743 -40.5740 -40.5740 -18.1223 -18.1221 -18.1203 -18.1172 -16.0808 -16.0801 -16.0572 -16.0551 -15.9751 -15.9714 -15.9526 -15.9522 2.2402 2.2430 2.2548 2.2631 10.3731 10.4025 10.5047 10.5114 11.4664 11.4797 11.7590 11.7706 11.8235 11.8356 12.2927 12.2996 13.5482 13.5537 14.0395 14.0662 15.2441 15.2700 15.9457 15.9933 16.2262 16.2351 16.4440 16.4871 k = 0.4511 0.3260 0.1268 ( 2622 PWs) bands (ev): -40.5741 -40.5741 -40.5735 -40.5735 -18.1233 -18.1232 -18.1212 -18.1176 -16.0835 -16.0826 -16.0565 -16.0540 -15.9782 -15.9738 -15.9523 -15.9516 2.2565 2.2595 2.2750 2.2843 10.3450 10.3774 10.5063 10.5143 11.4191 11.4328 11.7308 11.7432 11.8274 11.8392 12.3429 12.3502 13.4683 13.4736 14.0651 14.0940 15.1902 15.2185 16.0307 16.0876 16.1813 16.1921 16.4586 16.5113 k = 0.4457 0.3390 0.1409 ( 2626 PWs) bands (ev): -40.5741 -40.5741 -40.5732 -40.5732 -18.1244 -18.1243 -18.1222 -18.1180 -16.0864 -16.0852 -16.0560 -16.0530 -15.9815 -15.9764 -15.9520 -15.9510 2.2745 2.2778 2.2975 2.3078 10.3135 10.3486 10.5051 10.5144 11.3712 11.3848 11.7045 11.7163 11.8331 11.8454 12.3926 12.4001 13.3873 13.3923 14.0946 14.1256 15.1334 15.1641 16.1082 16.1347 16.1442 16.1770 16.4845 16.5464 k = 0.4402 0.3520 0.1550 ( 2626 PWs) bands (ev): -40.5738 -40.5738 -40.5729 -40.5729 -18.1257 -18.1254 -18.1233 -18.1185 -16.0894 -16.0879 -16.0554 -16.0520 -15.9850 -15.9792 -15.9518 -15.9504 2.2943 2.2978 2.3221 2.3334 10.2788 10.3164 10.4995 10.5102 11.3236 11.3367 11.6822 11.6925 11.8396 11.8526 12.4415 12.4490 13.3061 13.3107 14.1281 14.1610 15.0746 15.1075 16.0840 16.0977 16.1758 16.2460 16.5308 16.5967 k = 0.4348 0.3649 0.1691 ( 2626 PWs) bands (ev): -40.5736 -40.5736 -40.5725 -40.5725 -18.1272 -18.1265 -18.1245 -18.1190 -16.0926 -16.0908 -16.0549 -16.0510 -15.9887 -15.9822 -15.9516 -15.9497 2.3158 2.3195 2.3487 2.3611 10.2410 10.2808 10.4876 10.4998 11.2779 11.2902 11.6645 11.6730 11.8464 11.8603 12.4895 12.4970 13.2255 13.2296 14.1655 14.2003 15.0145 15.0494 16.0332 16.0486 16.2263 16.2918 16.6040 16.6653 k = 0.4294 0.3779 0.1831 ( 2630 PWs) bands (ev): -40.5735 -40.5735 -40.5721 -40.5721 -18.1287 -18.1277 -18.1258 -18.1197 -16.0959 -16.0938 -16.0544 -16.0501 -15.9925 -15.9854 -15.9513 -15.9490 2.3390 2.3428 2.3774 2.3908 10.2005 10.2422 10.4672 10.4809 11.2364 11.2480 11.6515 11.6581 11.8534 11.8682 12.5364 12.5436 13.1461 13.1496 14.2069 14.2434 14.9537 14.9904 15.9814 15.9984 16.2615 16.3169 16.7002 16.7512 k = 0.4239 0.3909 0.1972 ( 2630 PWs) bands (ev): -40.5733 -40.5733 -40.5717 -40.5717 -18.1303 -18.1289 -18.1271 -18.1203 -16.0994 -16.0970 -16.0540 -16.0492 -15.9965 -15.9886 -15.9510 -15.9483 2.3638 2.3677 2.4080 2.4224 10.1575 10.2009 10.4361 10.4511 11.2019 11.2128 11.6429 11.6477 11.8602 11.8759 12.5821 12.5887 13.0687 13.0713 14.2520 14.2903 14.8928 14.9312 15.9290 15.9474 16.2845 16.3293 16.8107 16.8506 k = 0.4185 0.4039 0.2113 ( 2628 PWs) bands (ev): -40.5730 -40.5730 -40.5713 -40.5713 -18.1321 -18.1302 -18.1285 -18.1211 -16.1030 -16.1003 -16.0536 -16.0483 -16.0007 -15.9920 -15.9508 -15.9475 2.3902 2.3941 2.4403 2.4557 10.1123 10.1572 10.3928 10.4088 11.1767 11.1868 11.6383 11.6413 11.8666 11.8831 12.6262 12.6316 12.9942 12.9954 14.3005 14.3409 14.8325 14.8725 15.8764 15.8961 16.2988 16.3345 16.9295 16.9586 k = 0.4131 0.4169 0.2254 ( 2630 PWs) bands (ev): -40.5728 -40.5728 -40.5707 -40.5707 -18.1339 -18.1315 -18.1300 -18.1219 -16.1067 -16.1036 -16.0532 -16.0476 -16.0049 -15.9955 -15.9504 -15.9467 2.4181 2.4220 2.4744 2.4908 10.0652 10.1115 10.3369 10.3535 11.1619 11.1712 11.6368 11.6384 11.8722 11.8896 12.6683 12.6711 12.9228 12.9241 14.3521 14.3948 14.7735 14.8147 15.8242 15.8448 16.3072 16.3356 17.0534 17.0685 k = 0.4076 0.4299 0.2395 ( 2626 PWs) bands (ev): -40.5726 -40.5726 -40.5702 -40.5702 -18.1357 -18.1330 -18.1315 -18.1227 -16.1106 -16.1071 -16.0528 -16.0468 -16.0093 -15.9991 -15.9501 -15.9459 2.4474 2.4513 2.5100 2.5273 10.0166 10.0642 10.2691 10.2858 11.1578 11.1662 11.6379 11.6383 11.8768 11.8949 12.7032 12.7066 12.8555 12.8628 14.4058 14.4516 14.7170 14.7589 15.7726 15.7937 16.3114 16.3338 17.1204 17.1342 k = 0.4022 0.4429 0.2536 ( 2631 PWs) bands (ev): -40.5724 -40.5724 -40.5697 -40.5697 -18.1377 -18.1345 -18.1330 -18.1236 -16.1145 -16.1107 -16.0524 -16.0462 -16.0137 -16.0027 -15.9497 -15.9450 2.4781 2.4819 2.5470 2.5653 9.9664 10.0156 10.1914 10.2075 11.1632 11.1707 11.6404 11.6409 11.8798 11.8985 12.7125 12.7303 12.8046 12.8261 14.4595 14.5098 14.6651 14.7068 15.7221 15.7431 16.3125 16.3300 17.0530 17.0919 k = 0.3968 0.4559 0.2677 ( 2639 PWs) bands (ev): -40.5724 -40.5724 -40.5691 -40.5691 -18.1397 -18.1361 -18.1345 -18.1245 -16.1186 -16.1144 -16.0521 -16.0457 -16.0182 -16.0063 -15.9493 -15.9440 2.5101 2.5137 2.5852 2.6045 9.9146 9.9657 10.1060 10.1208 11.1767 11.1835 11.6439 11.6452 11.8808 11.9001 12.6809 12.7016 12.8084 12.8323 14.5041 14.5618 14.6271 14.6660 15.6730 15.6933 16.3112 16.3245 16.9869 17.0319 k = 0.3913 0.4689 0.2818 ( 2645 PWs) bands (ev): -40.5723 -40.5723 -40.5686 -40.5686 -18.1418 -18.1378 -18.1359 -18.1255 -16.1227 -16.1181 -16.0518 -16.0454 -16.0228 -16.0098 -15.9488 -15.9430 2.5433 2.5467 2.6246 2.6449 9.8604 9.9144 10.0159 10.0285 11.1969 11.2032 11.6483 11.6503 11.8795 11.8990 12.6313 12.6490 12.8387 12.8588 14.5085 14.5686 14.6337 14.6757 15.6261 15.6446 16.3079 16.3176 16.9238 16.9724 k = 0.3859 0.4819 0.2959 ( 2641 PWs) bands (ev): -40.5720 -40.5720 -40.5680 -40.5680 -18.1439 -18.1395 -18.1373 -18.1265 -16.1268 -16.1218 -16.0515 -16.0453 -16.0274 -16.0132 -15.9482 -15.9420 2.5776 2.5807 2.6649 2.6861 9.8019 9.8596 9.9254 9.9344 11.2225 11.2285 11.6532 11.6556 11.8752 11.8949 12.5804 12.5971 12.8714 12.8893 14.4746 14.5320 14.6830 14.7342 15.5819 15.5972 16.3030 16.3096 16.8647 16.9161 k = 0.3805 0.4949 0.3099 ( 2645 PWs) bands (ev): -40.5717 -40.5717 -40.5675 -40.5675 -18.1461 -18.1414 -18.1387 -18.1275 -16.1310 -16.1256 -16.0512 -16.0454 -16.0320 -16.0164 -15.9477 -15.9409 2.6130 2.6158 2.7059 2.7281 9.7340 9.7922 9.8410 9.8495 11.2522 11.2582 11.6581 11.6607 11.8675 11.8871 12.5328 12.5496 12.9029 12.9195 14.4327 14.4896 14.7436 14.8036 15.5414 15.5516 16.2965 16.3003 16.8107 16.8646 k = 0.3751 0.5079 0.3240 ( 2641 PWs) bands (ev): -40.5714 -40.5714 -40.5670 -40.5670 -18.1483 -18.1433 -18.1401 -18.1285 -16.1352 -16.1294 -16.0510 -16.0459 -16.0365 -16.0192 -15.9470 -15.9397 2.6494 2.6517 2.7475 2.7706 9.6516 9.7015 9.7696 9.7863 11.2851 11.2916 11.6627 11.6653 11.8561 11.8753 12.4899 12.5076 12.9324 12.9481 14.3912 14.4484 14.8062 14.8767 15.5059 15.5082 16.2886 16.2900 16.7626 16.8189 k = 0.3696 0.5209 0.3381 ( 2649 PWs) bands (ev): -40.5713 -40.5712 -40.5665 -40.5665 -18.1505 -18.1452 -18.1414 -18.1295 -16.1393 -16.1331 -16.0508 -16.0469 -16.0411 -16.0217 -15.9464 -15.9386 2.6866 2.6885 2.7895 2.8134 9.5567 9.5995 9.7103 9.7339 11.3200 11.3278 11.6671 11.6690 11.8407 11.8594 12.4524 12.4713 12.9596 12.9744 14.3521 14.4099 14.8667 14.9508 15.4680 15.4776 16.2787 16.2795 16.7212 16.7797 k = 0.3642 0.5339 0.3522 ( 2653 PWs) bands (ev): -40.5711 -40.5711 -40.5660 -40.5660 -18.1528 -18.1471 -18.1427 -18.1305 -16.1435 -16.1369 -16.0506 -16.0484 -16.0455 -16.0236 -15.9457 -15.9374 2.7246 2.7259 2.8315 2.8562 9.4557 9.4945 9.6579 9.6851 11.3559 11.3658 11.6714 11.6717 11.8214 11.8395 12.4204 12.4408 12.9841 12.9981 14.3161 14.3747 14.9212 15.0238 15.4330 15.4595 16.2663 16.2690 16.6869 16.7478 k = 0.3588 0.5469 0.3663 ( 2653 PWs) bands (ev): -40.5708 -40.5708 -40.5654 -40.5654 -18.1550 -18.1491 -18.1440 -18.1315 -16.1476 -16.1405 -16.0506 -16.0504 -16.0499 -16.0251 -15.9450 -15.9361 2.7632 2.7640 2.8734 2.8989 9.3526 9.3891 9.6095 9.6384 11.3912 11.4047 11.6737 11.6764 11.7989 11.8159 12.3937 12.4157 13.0057 13.0189 14.2839 14.3431 14.9650 15.0908 15.4073 15.4560 16.2530 16.2574 16.6604 16.7234 k = 0.3533 0.5599 0.3804 ( 2645 PWs) bands (ev): -40.5705 -40.5704 -40.5648 -40.5648 -18.1573 -18.1510 -18.1452 -18.1325 -16.1517 -16.1441 -16.0543 -16.0528 -16.0504 -16.0260 -15.9442 -15.9349 2.8025 2.8025 2.9148 2.9412 9.2494 9.2846 9.5639 9.5935 11.4237 11.4429 11.6752 11.6836 11.7741 11.7895 12.3719 12.3954 13.0244 13.0365 14.2555 14.3154 14.9937 15.1422 15.4003 15.4710 16.2387 16.2446 16.6419 16.7071 k = 0.3479 0.5729 0.3945 ( 2645 PWs) bands (ev): -40.5703 -40.5702 -40.5642 -40.5642 -18.1595 -18.1529 -18.1463 -18.1335 -16.1557 -16.1476 -16.0585 -16.0556 -16.0503 -16.0266 -15.9434 -15.9336 2.8415 2.8422 2.9556 2.9827 9.1473 9.1817 9.5206 9.5503 11.4507 11.4779 11.6764 11.6952 11.7495 11.7609 12.3542 12.3791 13.0399 13.0509 14.2312 14.2915 15.0056 15.1652 15.4245 15.5059 16.2234 16.2307 16.6317 16.6989 k = 0.3425 0.5859 0.4086 ( 2645 PWs) bands (ev): -40.5701 -40.5701 -40.5636 -40.5636 -18.1617 -18.1549 -18.1474 -18.1345 -16.1596 -16.1511 -16.0625 -16.0586 -16.0502 -16.0269 -15.9425 -15.9323 2.8807 2.8823 2.9954 3.0232 9.0473 9.0812 9.4797 9.5089 11.4689 11.5062 11.6742 11.7132 11.7319 11.7323 12.3399 12.3661 13.0523 13.0620 14.2110 14.2717 15.0027 15.1598 15.4795 15.5584 16.2071 16.2156 16.6298 16.6988 k = 0.3370 0.5989 0.4226 ( 2653 PWs) bands (ev): -40.5700 -40.5699 -40.5632 -40.5632 -18.1639 -18.1568 -18.1484 -18.1354 -16.1634 -16.1544 -16.0665 -16.0617 -16.0503 -16.0270 -15.9417 -15.9310 2.9202 2.9226 3.0339 3.0623 8.9502 8.9837 9.4409 9.4693 11.4764 11.5234 11.6589 11.6989 11.7368 11.7434 12.3284 12.3556 13.0616 13.0697 14.1950 14.2559 14.9891 15.1382 15.5526 15.6238 16.1898 16.1995 16.6360 16.7066 k = 0.3316 0.6119 0.4367 ( 2655 PWs) bands (ev): -40.5698 -40.5698 -40.5627 -40.5627 -18.1661 -18.1587 -18.1494 -18.1363 -16.1671 -16.1575 -16.0703 -16.0649 -16.0503 -16.0270 -15.9408 -15.9297 2.9597 2.9631 3.0707 3.0998 8.8565 8.8898 9.4044 9.4317 11.4735 11.5277 11.6331 11.6682 11.7627 11.7798 12.3190 12.3469 13.0678 13.0742 14.1831 14.2442 14.9685 15.1097 15.6343 15.6980 16.1715 16.1823 16.6501 16.7221 k = 0.3262 0.6249 0.4508 ( 2657 PWs) bands (ev): -40.5697 -40.5697 -40.5622 -40.5622 -18.1683 -18.1605 -18.1503 -18.1371 -16.1707 -16.1606 -16.0738 -16.0681 -16.0504 -16.0269 -15.9399 -15.9284 2.9991 3.0036 3.1056 3.1352 8.7668 8.8000 9.3701 9.3962 11.4620 11.5205 11.6043 11.6373 11.8015 11.8233 12.3113 12.3397 13.0712 13.0756 14.1753 14.2363 14.9437 15.0780 15.7201 15.7777 16.1520 16.1640 16.6715 16.7446 k = 0.3207 0.6379 0.4649 ( 2659 PWs) bands (ev): -40.5696 -40.5695 -40.5617 -40.5617 -18.1704 -18.1623 -18.1511 -18.1378 -16.1741 -16.1634 -16.0773 -16.0711 -16.0505 -16.0268 -15.9390 -15.9270 3.0384 3.0440 3.1381 3.1681 8.6818 8.7148 9.3383 9.3629 11.4441 11.5047 11.5753 11.6065 11.8478 11.8719 12.3047 12.3336 13.0720 13.0743 14.1715 14.2322 14.9163 15.0448 15.8077 15.8606 16.1316 16.1448 16.6994 16.7734 k = 0.3153 0.6509 0.4790 ( 2661 PWs) bands (ev): -40.5695 -40.5695 -40.5612 -40.5612 -18.1724 -18.1640 -18.1518 -18.1385 -16.1774 -16.1661 -16.0804 -16.0741 -16.0507 -16.0266 -15.9380 -15.9257 3.0774 3.0842 3.1679 3.1984 8.6019 8.6347 9.3089 9.3319 11.4216 11.4828 11.5468 11.5758 11.8988 11.9239 12.2991 12.3283 13.0704 13.0704 14.1714 14.2317 14.8872 15.0107 15.8959 15.9449 16.1102 16.1247 16.7328 16.8073 k = 0.3099 0.6639 0.4931 ( 2657 PWs) bands (ev): -40.5694 -40.5694 -40.5606 -40.5606 -18.1743 -18.1657 -18.1524 -18.1391 -16.1805 -16.1686 -16.0834 -16.0769 -16.0510 -16.0265 -15.9371 -15.9244 3.1159 3.1241 3.1947 3.2255 8.5276 8.5602 9.2821 9.3032 11.3959 11.4565 11.5189 11.5453 11.9527 11.9782 12.2943 12.3237 13.0645 13.0668 14.1749 14.2347 14.8569 14.9761 15.9834 16.0287 16.0881 16.1044 16.7700 16.8450 k = 0.3044 0.6769 0.5072 ( 2657 PWs) bands (ev): -40.5693 -40.5693 -40.5602 -40.5601 -18.1762 -18.1673 -18.1529 -18.1397 -16.1834 -16.1710 -16.0862 -16.0796 -16.0512 -16.0263 -15.9361 -15.9231 3.1540 3.1635 3.2182 3.2491 8.4594 8.4916 9.2579 9.2769 11.3675 11.4272 11.4917 11.5152 12.0086 12.0340 12.2901 12.3200 13.0567 13.0616 14.1818 14.2408 14.8257 14.9408 16.0592 16.0754 16.0767 16.1180 16.8090 16.8843 k = 0.2990 0.6899 0.5213 ( 2661 PWs) bands (ev): -40.5694 -40.5694 -40.5597 -40.5597 -18.1781 -18.1688 -18.1533 -18.1402 -16.1862 -16.1731 -16.0887 -16.0821 -16.0516 -16.0262 -15.9352 -15.9218 3.1913 3.2024 3.2379 3.2690 8.3976 8.4295 9.2363 9.2530 11.3372 11.3955 11.4652 11.4857 12.0659 12.0905 12.2866 12.3172 13.0477 13.0550 14.1917 14.2499 14.7938 14.9049 16.0394 16.0561 16.1552 16.1971 16.8466 16.9223 k = 0.2936 0.7029 0.5354 ( 2661 PWs) bands (ev): -40.5694 -40.5694 -40.5593 -40.5593 -18.1798 -18.1703 -18.1535 -18.1405 -16.1887 -16.1750 -16.0910 -16.0844 -16.0520 -16.0261 -15.9342 -15.9205 3.2278 3.2402 3.2538 3.2848 8.3426 8.3741 9.2175 9.2318 11.3049 11.3616 11.4400 11.4574 12.1238 12.1466 12.2837 12.3162 13.0378 13.0477 14.2043 14.2616 14.7612 14.8683 16.0146 16.0325 16.2360 16.2750 16.8783 16.9544 k = 0.2881 0.7159 0.5494 ( 2657 PWs) bands (ev): -40.5693 -40.5693 -40.5588 -40.5588 -18.1814 -18.1716 -18.1537 -18.1408 -16.1911 -16.1767 -16.0930 -16.0865 -16.0524 -16.0260 -15.9333 -15.9192 3.2629 3.2639 3.2788 3.2966 8.2949 8.3259 9.2014 9.2131 11.2708 11.3255 11.4166 11.4307 12.1822 12.2002 12.2815 12.3184 13.0275 13.0399 14.2194 14.2756 14.7279 14.8308 15.9888 16.0078 16.3126 16.3485 16.8990 16.9749 k = 0.2827 0.7289 0.5635 ( 2653 PWs) bands (ev): -40.5694 -40.5694 -40.5583 -40.5583 -18.1830 -18.1729 -18.1537 -18.1409 -16.1933 -16.1782 -16.0947 -16.0883 -16.0529 -16.0260 -15.9324 -15.9179 3.2709 3.2926 3.3082 3.3150 8.2545 8.2849 9.1882 9.1970 11.2348 11.2873 11.3953 11.4061 12.2404 12.2458 12.2803 12.3294 13.0172 13.0320 14.2365 14.2917 14.6938 14.7923 15.9622 15.9823 16.3837 16.4159 16.9068 16.9803 k = 0.2773 0.7419 0.5776 ( 2655 PWs) bands (ev): -40.5695 -40.5695 -40.5580 -40.5580 -18.1844 -18.1741 -18.1536 -18.1410 -16.1952 -16.1794 -16.0962 -16.0899 -16.0534 -16.0259 -15.9315 -15.9167 3.2727 3.3006 3.3355 3.3505 8.2218 8.2515 9.1779 9.1836 11.1969 11.2472 11.3764 11.3841 12.2727 12.2785 12.2994 12.3594 13.0074 13.0246 14.2554 14.3096 14.6592 14.7529 15.9350 15.9561 16.4477 16.4758 16.9047 16.9729 k = 0.2718 0.7549 0.5917 ( 2655 PWs) bands (ev): -40.5696 -40.5696 -40.5576 -40.5576 -18.1858 -18.1752 -18.1534 -18.1409 -16.1970 -16.1804 -16.0973 -16.0913 -16.0540 -16.0260 -15.9306 -15.9155 3.2696 3.2978 3.3673 3.3849 8.1968 8.2257 9.1705 9.1730 11.1575 11.2056 11.3601 11.3649 12.2793 12.2832 12.3562 12.4058 12.9986 13.0180 14.2756 14.3288 14.6239 14.7125 15.9072 15.9292 16.5034 16.5267 16.8970 16.9573 k = 0.2718 0.7549 0.5917 ( 2655 PWs) bands (ev): -40.5696 -40.5696 -40.5576 -40.5576 -18.1858 -18.1752 -18.1534 -18.1409 -16.1970 -16.1804 -16.0973 -16.0913 -16.0540 -16.0260 -15.9306 -15.9155 3.2696 3.2978 3.3673 3.3849 8.1968 8.2257 9.1705 9.1730 11.1575 11.2056 11.3601 11.3649 12.2793 12.2832 12.3562 12.4058 12.9986 13.0180 14.2756 14.3288 14.6239 14.7125 15.9072 15.9292 16.5034 16.5267 16.8970 16.9573 k = 0.2537 0.7514 0.5955 ( 2655 PWs) bands (ev): -40.5697 -40.5696 -40.5575 -40.5575 -18.1861 -18.1756 -18.1532 -18.1409 -16.1973 -16.1807 -16.0976 -16.0916 -16.0541 -16.0261 -15.9303 -15.9152 3.2668 3.2939 3.3779 3.3949 8.1923 8.2210 9.1675 9.1691 11.1470 11.1941 11.3561 11.3602 12.2792 12.2846 12.3729 12.4205 12.9965 13.0165 14.2826 14.3356 14.6132 14.6999 15.8976 15.9198 16.5170 16.5390 16.8933 16.9509 k = 0.2356 0.7479 0.5993 ( 2649 PWs) bands (ev): -40.5696 -40.5696 -40.5573 -40.5573 -18.1864 -18.1761 -18.1529 -18.1409 -16.1976 -16.1812 -16.0978 -16.0919 -16.0541 -16.0264 -15.9298 -15.9150 3.2623 3.2871 3.3910 3.4063 8.1903 8.2185 9.1618 9.1625 11.1371 11.1828 11.3523 11.3558 12.2787 12.2854 12.3922 12.4372 12.9951 13.0154 14.2926 14.3450 14.6002 14.6842 15.8839 15.9062 16.5305 16.5509 16.8873 16.9415 k = 0.2175 0.7445 0.6030 ( 2648 PWs) bands (ev): -40.5697 -40.5697 -40.5572 -40.5572 -18.1867 -18.1767 -18.1524 -18.1409 -16.1978 -16.1818 -16.0979 -16.0922 -16.0538 -16.0269 -15.9292 -15.9148 3.2570 3.2793 3.4045 3.4181 8.1906 8.2182 9.1532 9.1535 11.1282 11.1719 11.3486 11.3517 12.2779 12.2856 12.4134 12.4555 12.9943 13.0149 14.3052 14.3570 14.5853 14.6657 15.8666 15.8887 16.5435 16.5625 16.8791 16.9294 k = 0.1993 0.7410 0.6068 ( 2646 PWs) bands (ev): -40.5697 -40.5697 -40.5571 -40.5571 -18.1869 -18.1774 -18.1519 -18.1410 -16.1979 -16.1824 -16.0979 -16.0926 -16.0535 -16.0276 -15.9285 -15.9147 3.2514 3.2714 3.4178 3.4296 8.1930 8.2198 9.1415 9.1428 11.1204 11.1617 11.3453 11.3479 12.2767 12.2851 12.4356 12.4746 12.9946 13.0153 14.3201 14.3712 14.5690 14.6449 15.8460 15.8678 16.5560 16.5734 16.8690 16.9150 k = 0.1812 0.7375 0.6106 ( 2643 PWs) bands (ev): -40.5697 -40.5697 -40.5570 -40.5570 -18.1870 -18.1781 -18.1512 -18.1411 -16.1980 -16.1832 -16.0979 -16.0929 -16.0529 -16.0284 -15.9277 -15.9146 3.2459 3.2637 3.4304 3.4407 8.1974 8.2232 9.1278 9.1300 11.1139 11.1524 11.3422 11.3444 12.2754 12.2840 12.4580 12.4939 12.9961 13.0168 14.3369 14.3873 14.5518 14.6222 15.8227 15.8441 16.5678 16.5835 16.8573 16.8989 k = 0.1631 0.7340 0.6144 ( 2650 PWs) bands (ev): -40.5698 -40.5698 -40.5570 -40.5570 -18.1871 -18.1789 -18.1506 -18.1412 -16.1979 -16.1841 -16.0979 -16.0932 -16.0523 -16.0294 -15.9268 -15.9147 3.2407 3.2564 3.4420 3.4509 8.2035 8.2280 9.1126 9.1156 11.1087 11.1441 11.3394 11.3413 12.2739 12.2824 12.4801 12.5126 12.9991 13.0194 14.3550 14.4048 14.5345 14.5982 15.7975 15.8182 16.5788 16.5928 16.8445 16.8818 k = 0.1450 0.7305 0.6181 ( 2648 PWs) bands (ev): -40.5699 -40.5699 -40.5568 -40.5568 -18.1872 -18.1797 -18.1498 -18.1414 -16.1977 -16.1850 -16.0978 -16.0936 -16.0515 -16.0306 -15.9258 -15.9148 3.2359 3.2496 3.4526 3.4603 8.2110 8.2340 9.0963 9.0999 11.1048 11.1368 11.3369 11.3386 12.2724 12.2805 12.5012 12.5301 13.0036 13.0233 14.3734 14.4231 14.5179 14.5733 15.7711 15.7910 16.5889 16.6012 16.8314 16.8643 k = 0.1269 0.7270 0.6219 ( 2650 PWs) bands (ev): -40.5699 -40.5699 -40.5568 -40.5568 -18.1871 -18.1805 -18.1491 -18.1416 -16.1974 -16.1860 -16.0977 -16.0939 -16.0506 -16.0318 -15.9249 -15.9149 3.2316 3.2435 3.4621 3.4686 8.2195 8.2407 9.0796 9.0837 11.1020 11.1305 11.3347 11.3362 12.2708 12.2784 12.5205 12.5459 13.0095 13.0283 14.3907 14.4413 14.5035 14.5485 15.7446 15.7632 16.5980 16.6085 16.8185 16.8471 k = 0.1087 0.7236 0.6257 ( 2650 PWs) bands (ev): -40.5701 -40.5700 -40.5567 -40.5566 -18.1871 -18.1813 -18.1484 -18.1419 -16.1970 -16.1870 -16.0975 -16.0942 -16.0496 -16.0331 -15.9239 -15.9152 3.2279 3.2380 3.4705 3.4759 8.2286 8.2477 9.0632 9.0675 11.1004 11.1250 11.3329 11.3341 12.2694 12.2761 12.5379 12.5596 13.0168 13.0342 14.4050 14.4585 14.4933 14.5247 15.7188 15.7358 16.6060 16.6147 16.8063 16.8308 k = 0.0906 0.7201 0.6295 ( 2646 PWs) bands (ev): -40.5700 -40.5700 -40.5566 -40.5566 -18.1869 -18.1821 -18.1477 -18.1422 -16.1966 -16.1881 -16.0973 -16.0945 -16.0485 -16.0344 -15.9229 -15.9155 3.2249 3.2332 3.4776 3.4820 8.2379 8.2545 9.0477 9.0520 11.0996 11.1203 11.3313 11.3324 12.2681 12.2739 12.5529 12.5709 13.0249 13.0406 14.4132 14.4712 14.4902 14.5053 15.6949 15.7100 16.6129 16.6199 16.7954 16.8159 k = 0.0725 0.7166 0.6332 ( 2642 PWs) bands (ev): -40.5701 -40.5701 -40.5564 -40.5564 -18.1867 -18.1828 -18.1470 -18.1426 -16.1960 -16.1891 -16.0971 -16.0948 -16.0472 -16.0359 -15.9219 -15.9160 3.2225 3.2291 3.4835 3.4870 8.2468 8.2606 9.0340 9.0379 11.0996 11.1163 11.3301 11.3309 12.2670 12.2718 12.5653 12.5797 13.0333 13.0467 14.4148 14.4678 14.4946 14.5018 15.6738 15.6865 16.6186 16.6240 16.7862 16.8027 k = 0.0544 0.7131 0.6370 ( 2638 PWs) bands (ev): -40.5701 -40.5701 -40.5562 -40.5562 -18.1864 -18.1835 -18.1463 -18.1430 -16.1954 -16.1901 -16.0969 -16.0952 -16.0459 -16.0373 -15.9210 -15.9165 3.2208 3.2257 3.4883 3.4908 8.2549 8.2656 9.0226 9.0259 11.1002 11.1129 11.3292 11.3298 12.2663 12.2699 12.5753 12.5860 13.0414 13.0520 14.4130 14.4523 14.5033 14.5102 15.6566 15.6666 16.6231 16.6270 16.7792 16.7917 k = 0.0362 0.7096 0.6408 ( 2636 PWs) bands (ev): -40.5701 -40.5701 -40.5562 -40.5562 -18.1861 -18.1841 -18.1456 -18.1434 -16.1947 -16.1911 -16.0966 -16.0955 -16.0446 -16.0388 -15.9201 -15.9170 3.2198 3.2230 3.4917 3.4935 8.2616 8.2689 9.0143 9.0166 11.1014 11.1098 11.3286 11.3290 12.2659 12.2683 12.5828 12.5899 13.0484 13.0557 14.4114 14.4371 14.5124 14.5180 15.6441 15.6510 16.6265 16.6290 16.7746 16.7830 k = 0.0181 0.7061 0.6445 ( 2636 PWs) bands (ev): -40.5701 -40.5701 -40.5562 -40.5562 -18.1857 -18.1847 -18.1450 -18.1439 -16.1939 -16.1921 -16.0963 -16.0958 -16.0432 -16.0403 -15.9192 -15.9177 3.2195 3.2211 3.4940 3.4949 8.2666 8.2703 9.0093 9.0105 11.1030 11.1072 11.3282 11.3284 12.2659 12.2671 12.5880 12.5915 13.0537 13.0574 14.4123 14.4250 14.5194 14.5225 15.6371 15.6406 16.6287 16.6300 16.7727 16.7769 k = 0.0000 0.7027 0.6483 ( 2638 PWs) bands (ev): -40.5701 -40.5701 -40.5562 -40.5562 -18.1852 -18.1852 -18.1444 -18.1444 -16.1930 -16.1930 -16.0961 -16.0961 -16.0417 -16.0417 -15.9184 -15.9184 3.2199 3.2199 3.4950 3.4950 8.2696 8.2696 9.0080 9.0080 11.1049 11.1049 11.3282 11.3282 12.2663 12.2663 12.5909 12.5909 13.0567 13.0567 14.4167 14.4167 14.5229 14.5229 15.6359 15.6359 16.6299 16.6299 16.7734 16.7734 k = 0.0000 0.7027 0.6483 ( 2638 PWs) bands (ev): -40.5701 -40.5701 -40.5562 -40.5562 -18.1852 -18.1852 -18.1444 -18.1444 -16.1930 -16.1930 -16.0961 -16.0961 -16.0417 -16.0417 -15.9184 -15.9184 3.2199 3.2199 3.4950 3.4950 8.2696 8.2696 9.0080 9.0080 11.1049 11.1049 11.3282 11.3282 12.2663 12.2663 12.5909 12.5909 13.0567 13.0567 14.4167 14.4167 14.5229 14.5229 15.6359 15.6359 16.6299 16.6299 16.7734 16.7734 k = 0.0054 0.6897 0.6624 ( 2640 PWs) bands (ev): -40.5701 -40.5701 -40.5562 -40.5562 -18.1854 -18.1850 -18.1446 -18.1444 -16.1936 -16.1924 -16.0964 -16.0958 -16.0423 -16.0413 -15.9191 -15.9180 3.2198 3.2208 3.4949 3.4959 8.2698 8.2718 9.0060 9.0111 11.0818 11.1147 11.3164 11.3486 12.2611 12.2681 12.5851 12.5916 13.0572 13.0598 14.3554 14.4005 14.5459 14.5836 15.6279 15.6391 16.6298 16.6325 16.7741 16.7825 k = 0.0109 0.6767 0.6765 ( 2644 PWs) bands (ev): -40.5701 -40.5701 -40.5562 -40.5562 -18.1857 -18.1849 -18.1449 -18.1444 -16.1942 -16.1918 -16.0969 -16.0955 -16.0431 -16.0410 -15.9200 -15.9179 3.2203 3.2223 3.4955 3.4974 8.2727 8.2767 9.0051 9.0153 11.0501 11.1076 11.3166 11.3725 12.2525 12.2666 12.5744 12.5872 13.0611 13.0663 14.2835 14.3376 14.6215 14.6609 15.6159 15.6379 16.6320 16.6373 16.7847 16.8012 k = 0.0163 0.6637 0.6906 ( 2646 PWs) bands (ev): -40.5701 -40.5701 -40.5562 -40.5562 -18.1861 -18.1848 -18.1452 -18.1446 -16.1948 -16.1912 -16.0974 -16.0954 -16.0440 -16.0408 -15.9211 -15.9179 3.2215 3.2244 3.4968 3.4997 8.2780 8.2840 9.0053 9.0206 11.0133 11.0857 11.3270 11.3965 12.2409 12.2623 12.5588 12.5778 13.0684 13.0760 14.2135 14.2726 14.7045 14.7419 15.6015 15.6335 16.6358 16.6434 16.8054 16.8292 k = 0.0217 0.6507 0.7047 ( 2650 PWs) bands (ev): -40.5700 -40.5700 -40.5562 -40.5562 -18.1865 -18.1847 -18.1457 -18.1448 -16.1954 -16.1906 -16.0980 -16.0954 -16.0449 -16.0408 -15.9224 -15.9182 3.2234 3.2273 3.4988 3.5026 8.2859 8.2939 9.0065 9.0268 10.9735 11.0541 11.3422 11.4181 12.2268 12.2557 12.5384 12.5631 13.0786 13.0886 14.1475 14.2108 14.7883 14.8234 15.5871 15.6278 16.6403 16.6503 16.8359 16.8659 k = 0.0272 0.6376 0.7188 ( 2650 PWs) bands (ev): -40.5698 -40.5698 -40.5562 -40.5562 -18.1869 -18.1847 -18.1462 -18.1451 -16.1960 -16.1900 -16.0987 -16.0955 -16.0460 -16.0409 -15.9239 -15.9187 3.2260 3.2307 3.5014 3.5062 8.2964 8.3062 9.0086 9.0339 10.9319 11.0171 11.3579 11.4361 12.2107 12.2473 12.5131 12.5434 13.0916 13.1038 14.0864 14.1532 14.8700 14.9030 15.5757 15.6237 16.6452 16.6574 16.8753 16.9100 k = 0.0326 0.6246 0.7329 ( 2652 PWs) bands (ev): -40.5696 -40.5696 -40.5561 -40.5561 -18.1874 -18.1848 -18.1469 -18.1455 -16.1966 -16.1894 -16.0995 -16.0957 -16.0472 -16.0410 -15.9257 -15.9193 3.2292 3.2348 3.5048 3.5104 8.3092 8.3210 9.0115 9.0417 10.8895 10.9773 11.3716 11.4493 12.1932 12.2379 12.4833 12.5187 13.1070 13.1213 14.0302 14.1002 14.9467 14.9778 15.5712 15.6249 16.6503 16.6648 16.9223 16.9602 k = 0.0380 0.6116 0.7470 ( 2644 PWs) bands (ev): -40.5693 -40.5693 -40.5559 -40.5559 -18.1879 -18.1849 -18.1476 -18.1461 -16.1972 -16.1887 -16.1003 -16.0961 -16.0485 -16.0413 -15.9276 -15.9202 3.2331 3.2395 3.5087 3.5153 8.3245 8.3380 9.0151 9.0502 10.8468 10.9362 11.3817 11.4572 12.1748 12.2281 12.4490 12.4893 13.1246 13.1407 13.9790 14.0518 15.0151 15.0442 15.5783 15.6353 16.6557 16.6723 16.9754 17.0150 k = 0.0435 0.5986 0.7611 ( 2644 PWs) bands (ev): -40.5691 -40.5691 -40.5557 -40.5557 -18.1884 -18.1850 -18.1484 -18.1467 -16.1979 -16.1881 -16.1012 -16.0966 -16.0497 -16.0416 -15.9297 -15.9213 3.2375 3.2448 3.5133 3.5207 8.3421 8.3574 9.0192 9.0592 10.8044 10.8947 11.3872 11.4592 12.1559 12.2180 12.4108 12.4557 13.1441 13.1618 13.9326 14.0075 15.0719 15.0987 15.6015 15.6586 16.6614 16.6800 17.0332 17.0727 k = 0.0489 0.5856 0.7752 ( 2644 PWs) bands (ev): -40.5688 -40.5688 -40.5556 -40.5556 -18.1890 -18.1852 -18.1494 -18.1474 -16.1986 -16.1875 -16.1023 -16.0974 -16.0510 -16.0420 -15.9321 -15.9226 3.2426 3.2507 3.5184 3.5266 8.3620 8.3790 9.0237 9.0684 10.7626 10.8536 11.3876 11.4553 12.1368 12.2080 12.3690 12.4186 13.1654 13.1844 13.8905 13.9669 15.1153 15.1396 15.6432 15.6975 16.6674 16.6880 17.0942 17.1315 k = 0.0543 0.5726 0.7893 ( 2646 PWs) bands (ev): -40.5685 -40.5685 -40.5554 -40.5554 -18.1896 -18.1854 -18.1504 -18.1482 -16.1993 -16.1869 -16.1035 -16.0983 -16.0522 -16.0425 -15.9345 -15.9240 3.2483 3.2572 3.5241 3.5330 8.3842 8.4026 9.0285 9.0777 10.7219 10.8133 11.3827 11.4457 12.1175 12.1978 12.3241 12.3788 13.1884 13.2084 13.8521 13.9294 15.1459 15.1685 15.7025 15.7516 16.6737 16.6963 17.1567 17.1879 k = 0.0598 0.5596 0.8034 ( 2644 PWs) bands (ev): -40.5682 -40.5682 -40.5552 -40.5552 -18.1903 -18.1857 -18.1515 -18.1490 -16.2001 -16.1863 -16.1047 -16.0995 -16.0534 -16.0429 -15.9372 -15.9256 3.2546 3.2641 3.5302 3.5399 8.4084 8.4283 9.0334 9.0870 10.6824 10.7740 11.3725 11.4305 12.0980 12.1869 12.2769 12.3372 13.2129 13.2336 13.8169 13.8945 15.1670 15.1893 15.7752 15.8187 16.6804 16.7050 17.2155 17.2371 k = 0.0652 0.5466 0.8175 ( 2644 PWs) bands (ev): -40.5678 -40.5678 -40.5550 -40.5550 -18.1910 -18.1860 -18.1526 -18.1500 -16.2009 -16.1857 -16.1061 -16.1010 -16.0545 -16.0433 -15.9400 -15.9274 3.2615 3.2716 3.5367 3.5471 8.4346 8.4558 9.0382 9.0959 10.6445 10.7362 11.3573 11.4104 12.0777 12.1747 12.2281 12.2952 13.2390 13.2602 13.7842 13.8617 15.1828 15.2060 15.8569 15.8950 16.6874 16.7139 17.2502 17.2766 k = 0.0707 0.5336 0.8315 ( 2636 PWs) bands (ev): -40.5673 -40.5673 -40.5547 -40.5547 -18.1917 -18.1864 -18.1539 -18.1510 -16.2017 -16.1852 -16.1077 -16.1027 -16.0555 -16.0436 -15.9429 -15.9292 3.2688 3.2795 3.5437 3.5547 8.4627 8.4852 9.0428 9.1045 10.6081 10.6999 11.3373 11.3858 12.0561 12.1594 12.1792 12.2546 13.2665 13.2880 13.7535 13.8305 15.1974 15.2215 15.9437 15.9773 16.6947 16.7231 17.2617 17.2849 k = 0.0761 0.5206 0.8456 ( 2636 PWs) bands (ev): -40.5669 -40.5669 -40.5545 -40.5545 -18.1924 -18.1868 -18.1552 -18.1521 -16.2026 -16.1846 -16.1094 -16.1047 -16.0563 -16.0440 -15.9459 -15.9312 3.2767 3.2879 3.5509 3.5625 8.4926 8.5161 9.0470 9.1123 10.5735 10.6653 11.3131 11.3573 12.0327 12.1252 12.1450 12.2174 13.2953 13.3169 13.7245 13.8006 15.2134 15.2383 16.0325 16.0628 16.7022 16.7325 17.2643 17.2859 k = 0.0815 0.5076 0.8597 ( 2634 PWs) bands (ev): -40.5664 -40.5664 -40.5542 -40.5542 -18.1932 -18.1872 -18.1566 -18.1533 -16.2035 -16.1841 -16.1112 -16.1069 -16.0570 -16.0442 -15.9490 -15.9333 3.2850 3.2967 3.5584 3.5706 8.5242 8.5486 9.0509 9.1195 10.5407 10.6322 11.2850 11.3254 12.0068 12.0760 12.1211 12.1856 13.3253 13.3469 13.6968 13.7719 15.2324 15.2576 16.1212 16.1493 16.7099 16.7421 17.2630 17.2860 k = 0.0870 0.4946 0.8738 ( 2632 PWs) bands (ev): -40.5659 -40.5659 -40.5540 -40.5540 -18.1939 -18.1877 -18.1581 -18.1545 -16.2046 -16.1837 -16.1132 -16.1093 -16.0576 -16.0443 -15.9522 -15.9355 3.2938 3.3059 3.5661 3.5787 8.5572 8.5824 9.0543 9.1258 10.5096 10.6008 11.2536 11.2908 11.9781 12.0271 12.0936 12.1592 13.3561 13.3778 13.6706 13.7447 15.2554 15.2807 16.2079 16.2352 16.7177 16.7519 17.2593 17.2859 k = 0.0924 0.4816 0.8879 ( 2634 PWs) bands (ev): -40.5655 -40.5655 -40.5538 -40.5538 -18.1947 -18.1882 -18.1596 -18.1558 -16.2056 -16.1832 -16.1155 -16.1118 -16.0580 -16.0444 -15.9554 -15.9377 3.3031 3.3155 3.5739 3.5870 8.5916 8.6174 9.0572 9.1313 10.4800 10.5707 11.2191 11.2536 11.9469 11.9796 12.0643 12.1358 13.3874 13.4095 13.6458 13.7192 15.2828 15.3079 16.2910 16.3190 16.7256 16.7617 17.2542 17.2857 k = 0.0978 0.4686 0.9020 ( 2634 PWs) bands (ev): -40.5650 -40.5650 -40.5535 -40.5535 -18.1956 -18.1887 -18.1612 -18.1571 -16.2068 -16.1829 -16.1179 -16.1145 -16.0582 -16.0443 -15.9587 -15.9400 3.3127 3.3254 3.5818 3.5952 8.6272 8.6534 9.0597 9.1359 10.4519 10.5420 11.1818 11.2144 11.9141 11.9344 12.0349 12.1131 13.4187 13.4414 13.6229 13.6960 15.3146 15.3395 16.3695 16.3994 16.7334 16.7716 17.2485 17.2855 k = 0.1033 0.4556 0.9161 ( 2636 PWs) bands (ev): -40.5645 -40.5645 -40.5533 -40.5533 -18.1964 -18.1892 -18.1628 -18.1585 -16.2080 -16.1825 -16.1206 -16.1171 -16.0584 -16.0442 -15.9620 -15.9423 3.3227 3.3356 3.5897 3.6034 8.6638 8.6902 9.0618 9.1397 10.4250 10.5142 11.1421 11.1733 11.8808 11.8919 12.0060 12.0898 13.4490 13.4727 13.6030 13.6762 15.3509 15.3756 16.4421 16.4751 16.7412 16.7813 17.2426 17.2855 k = 0.1087 0.4426 0.9302 ( 2636 PWs) bands (ev): -40.5639 -40.5639 -40.5531 -40.5531 -18.1972 -18.1898 -18.1645 -18.1600 -16.2093 -16.1822 -16.1236 -16.1198 -16.0584 -16.0439 -15.9653 -15.9447 3.3330 3.3461 3.5976 3.6114 8.7013 8.7276 9.0636 9.1428 10.3990 10.4872 11.1000 11.1306 11.8478 11.8531 11.9775 12.0656 13.4768 13.5009 13.5886 13.6615 15.3914 15.4159 16.5083 16.5451 16.7487 16.7910 17.2372 17.2860 k = 0.1141 0.4296 0.9443 ( 2638 PWs) bands (ev): -40.5634 -40.5634 -40.5529 -40.5529 -18.1980 -18.1904 -18.1662 -18.1615 -16.2107 -16.1820 -16.1269 -16.1224 -16.0583 -16.0436 -15.9687 -15.9470 3.3436 3.3568 3.6053 3.6192 8.7395 8.7655 9.0653 9.1453 10.3737 10.4607 11.0558 11.0863 11.8146 11.8199 11.9494 12.0402 13.4993 13.5186 13.5873 13.6544 15.4358 15.4604 16.5674 16.6085 16.7560 16.8004 17.2329 17.2870 k = 0.1196 0.4166 0.9584 ( 2644 PWs) bands (ev): -40.5629 -40.5629 -40.5528 -40.5528 -18.1989 -18.1910 -18.1679 -18.1630 -16.2121 -16.1819 -16.1303 -16.1250 -16.0581 -16.0431 -15.9720 -15.9494 3.3546 3.3678 3.6127 3.6268 8.7781 8.8036 9.0672 9.1475 10.3488 10.4344 11.0096 11.0406 11.7828 11.7912 11.9214 12.0139 13.5130 13.5202 13.6056 13.6580 15.4838 15.5086 16.6192 16.6645 16.7630 16.8094 17.2301 17.2887 k = 0.1250 0.4036 0.9725 ( 2644 PWs) bands (ev): -40.5624 -40.5624 -40.5525 -40.5525 -18.1997 -18.1917 -18.1697 -18.1645 -16.2136 -16.1818 -16.1338 -16.1276 -16.0578 -16.0425 -15.9752 -15.9517 3.3658 3.3789 3.6200 3.6340 8.8171 8.8417 9.0694 9.1496 10.3241 10.4081 10.9615 10.9935 11.7545 11.7657 11.8938 11.9869 13.5108 13.5209 13.6347 13.6729 15.5352 15.5603 16.6639 16.7130 16.7696 16.8180 17.2292 17.2912 k = 0.1304 0.3906 0.9866 ( 2642 PWs) bands (ev): -40.5618 -40.5618 -40.5523 -40.5523 -18.2005 -18.1923 -18.1715 -18.1661 -16.2151 -16.1817 -16.1373 -16.1301 -16.0573 -16.0419 -15.9785 -15.9541 3.3772 3.3903 3.6269 3.6408 8.8561 8.8796 9.0722 9.1518 10.2992 10.3817 10.9117 10.9450 11.7300 11.7432 11.8668 11.9596 13.5030 13.5208 13.6672 13.6962 15.5896 15.6152 16.7020 16.7539 16.7758 16.8261 17.2305 17.2945 k = 0.1359 0.3776 1.0007 ( 2634 PWs) bands (ev): -40.5611 -40.5611 -40.5520 -40.5520 -18.2013 -18.1929 -18.1733 -18.1676 -16.2167 -16.1817 -16.1409 -16.1327 -16.0568 -16.0412 -15.9816 -15.9563 3.3888 3.4018 3.6334 3.6472 8.8951 8.9170 9.0759 9.1544 10.2740 10.3548 10.8604 10.8951 11.7091 11.7234 11.8406 11.9324 13.4968 13.5188 13.7006 13.7242 15.6466 15.6729 16.7341 16.7815 16.7879 16.8337 17.2339 17.2984 k = 0.1413 0.3646 1.0148 ( 2632 PWs) bands (ev): -40.5605 -40.5605 -40.5518 -40.5518 -18.2020 -18.1935 -18.1751 -18.1692 -16.2183 -16.1818 -16.1446 -16.1353 -16.0562 -16.0404 -15.9847 -15.9586 3.4005 3.4133 3.6395 3.6530 8.9339 8.9534 9.0811 9.1576 10.2485 10.3276 10.8076 10.8439 11.6916 11.7062 11.8156 11.9057 13.4933 13.5173 13.7338 13.7543 15.7062 15.7332 16.7608 16.7876 16.8150 16.8414 17.2390 17.3028 k = 0.1467 0.3516 1.0289 ( 2630 PWs) bands (ev): -40.5599 -40.5599 -40.5515 -40.5515 -18.2028 -18.1941 -18.1769 -18.1708 -16.2200 -16.1820 -16.1481 -16.1378 -16.0556 -16.0395 -15.9878 -15.9607 3.4124 3.4250 3.6450 3.6583 8.9722 8.9884 9.0882 9.1618 10.2225 10.2999 10.7535 10.7914 11.6772 11.6911 11.7922 11.8799 13.4929 13.5176 13.7662 13.7849 15.7679 15.7957 16.7815 16.7953 16.8351 16.8506 17.2454 17.3074 k = 0.1522 0.3386 1.0430 ( 2632 PWs) bands (ev): -40.5594 -40.5593 -40.5514 -40.5514 -18.2035 -18.1948 -18.1787 -18.1724 -16.2217 -16.1822 -16.1517 -16.1403 -16.0548 -16.0386 -15.9907 -15.9629 3.4244 3.4367 3.6501 3.6630 9.0097 9.0210 9.0983 9.1671 10.1960 10.2717 10.6983 10.7378 11.6654 11.6779 11.7707 11.8554 13.4959 13.5203 13.7974 13.8151 15.8316 15.8601 16.7926 16.8091 16.8470 16.8641 17.2527 17.3120 k = 0.1576 0.3256 1.0571 ( 2632 PWs) bands (ev): -40.5588 -40.5588 -40.5512 -40.5512 -18.2041 -18.1954 -18.1805 -18.1739 -16.2233 -16.1824 -16.1551 -16.1427 -16.0540 -16.0377 -15.9936 -15.9649 3.4365 3.4485 3.6545 3.6670 9.0459 9.0503 9.1130 9.1738 10.1691 10.2430 10.6421 10.6832 11.6557 11.6663 11.7514 11.8327 13.5022 13.5259 13.8270 13.8444 15.8970 15.9263 16.7990 16.8251 16.8548 16.8790 17.2602 17.3163 k = 0.1630 0.3125 1.0711 ( 2634 PWs) bands (ev): -40.5582 -40.5582 -40.5511 -40.5511 -18.2048 -18.1959 -18.1822 -18.1754 -16.2250 -16.1828 -16.1585 -16.1451 -16.0532 -16.0367 -15.9964 -15.9669 3.4486 3.4602 3.6583 3.6703 9.0725 9.0831 9.1334 9.1821 10.1419 10.2141 10.5852 10.6276 11.6469 11.6566 11.7343 11.8120 13.5119 13.5344 13.8547 13.8720 15.9640 15.9940 16.8048 16.8395 16.8625 16.8930 17.2675 17.3203 k = 0.1685 0.2995 1.0852 ( 2634 PWs) bands (ev): -40.5577 -40.5577 -40.5509 -40.5509 -18.2054 -18.1965 -18.1840 -18.1769 -16.2267 -16.1831 -16.1617 -16.1474 -16.0522 -16.0358 -15.9991 -15.9688 3.4608 3.4719 3.6615 3.6730 9.0918 9.1176 9.1589 9.1923 10.1146 10.1849 10.5276 10.5714 11.6379 11.6494 11.7194 11.7937 13.5249 13.5458 13.8802 13.8977 16.0322 16.0628 16.8109 16.8512 16.8717 16.9059 17.2744 17.3236 k = 0.1739 0.2865 1.0993 ( 2632 PWs) bands (ev): -40.5571 -40.5571 -40.5508 -40.5508 -18.2059 -18.1970 -18.1857 -18.1784 -16.2283 -16.1835 -16.1648 -16.1496 -16.0512 -16.0348 -16.0016 -15.9706 3.4729 3.4836 3.6640 3.6748 9.1090 9.1508 9.1869 9.2049 10.0872 10.1557 10.4697 10.5145 11.6287 11.6445 11.7063 11.7779 13.5409 13.5601 13.9033 13.9211 16.1016 16.1326 16.8175 16.8602 16.8831 16.9182 17.2804 17.3261 k = 0.1793 0.2735 1.1134 ( 2636 PWs) bands (ev): -40.5567 -40.5567 -40.5507 -40.5507 -18.2064 -18.1975 -18.1873 -18.1798 -16.2299 -16.1839 -16.1678 -16.1517 -16.0502 -16.0338 -16.0041 -15.9723 3.4850 3.4952 3.6657 3.6760 9.1260 9.1821 9.2142 9.2214 10.0600 10.1265 10.4115 10.4574 11.6197 11.6411 11.6947 11.7647 13.5599 13.5770 13.9236 13.9419 16.1718 16.2032 16.8248 16.8674 16.8960 16.9302 17.2854 17.3276 k = 0.1848 0.2605 1.1275 ( 2634 PWs) bands (ev): -40.5561 -40.5561 -40.5506 -40.5506 -18.2068 -18.1979 -18.1889 -18.1811 -16.2315 -16.1843 -16.1706 -16.1537 -16.0491 -16.0328 -16.0065 -15.9740 3.4970 3.5066 3.6668 3.6763 9.1440 9.2108 9.2357 9.2469 10.0331 10.0976 10.3535 10.4001 11.6115 11.6387 11.6843 11.7539 13.5814 13.5964 13.9410 13.9598 16.2426 16.2742 16.8328 16.8737 16.9097 16.9420 17.2891 17.3277 k = 0.1902 0.2475 1.1416 ( 2636 PWs) bands (ev): -40.5556 -40.5556 -40.5506 -40.5506 -18.2072 -18.1984 -18.1904 -18.1824 -16.2329 -16.1847 -16.1732 -16.1555 -16.0480 -16.0318 -16.0088 -15.9755 3.5089 3.5180 3.6671 3.6759 9.1633 9.2363 9.2578 9.2747 10.0067 10.0690 10.2958 10.3431 11.6044 11.6369 11.6750 11.7453 13.6051 13.6180 13.9553 13.9746 16.3138 16.3453 16.8414 16.8796 16.9238 16.9540 17.2913 17.3264 k = 0.1957 0.2345 1.1557 ( 2644 PWs) bands (ev): -40.5552 -40.5552 -40.5506 -40.5506 -18.2075 -18.1988 -18.1919 -18.1837 -16.2343 -16.1852 -16.1757 -16.1573 -16.0468 -16.0309 -16.0110 -15.9769 3.5206 3.5291 3.6667 3.6747 9.1840 9.2595 9.2822 9.3019 9.9811 10.0411 10.2388 10.2866 11.5984 11.6355 11.6667 11.7385 13.6308 13.6415 13.9664 13.9860 16.3850 16.4161 16.8503 16.8853 16.9381 16.9663 17.2917 17.3232 k = 0.2011 0.2215 1.1698 ( 2646 PWs) bands (ev): -40.5548 -40.5548 -40.5506 -40.5506 -18.2078 -18.1991 -18.1933 -18.1848 -16.2356 -16.1856 -16.1779 -16.1589 -16.0456 -16.0300 -16.0132 -15.9782 3.5322 3.5400 3.6655 3.6728 9.2062 9.2823 9.3071 9.3279 9.9565 10.0140 10.1828 10.2309 11.5937 11.6344 11.6594 11.7330 13.6579 13.6666 13.9741 13.9941 16.4559 16.4863 16.8592 16.8905 16.9525 16.9791 17.2901 17.3179 k = 0.2065 0.2085 1.1839 ( 2648 PWs) bands (ev): -40.5544 -40.5544 -40.5507 -40.5507 -18.2080 -18.1994 -18.1946 -18.1859 -16.2368 -16.1860 -16.1800 -16.1604 -16.0444 -16.0292 -16.0152 -15.9795 3.5436 3.5507 3.6636 3.6701 9.2296 9.3058 9.3312 9.3526 9.9332 9.9880 10.1284 10.1765 11.5901 11.6335 11.6530 11.7287 13.6861 13.6929 13.9784 13.9986 16.5260 16.5553 16.8681 16.8955 16.9667 16.9924 17.2862 17.3101 k = 0.2120 0.1955 1.1980 ( 2650 PWs) bands (ev): -40.5540 -40.5540 -40.5507 -40.5507 -18.2081 -18.1996 -18.1958 -18.1868 -16.2379 -16.1864 -16.1818 -16.1617 -16.0432 -16.0284 -16.0171 -15.9806 3.5548 3.5612 3.6610 3.6666 9.2540 9.3301 9.3542 9.3757 9.9113 9.9632 10.0760 10.1240 11.5876 11.6327 11.6475 11.7252 13.7147 13.7202 13.9792 13.9996 16.5947 16.6223 16.8764 16.9000 16.9808 17.0063 17.2795 17.2995 k = 0.2174 0.1825 1.2121 ( 2656 PWs) bands (ev): -40.5537 -40.5537 -40.5509 -40.5509 -18.2082 -18.1999 -18.1969 -18.1877 -16.2388 -16.1868 -16.1834 -16.1628 -16.0420 -16.0277 -16.0189 -15.9815 3.5657 3.5713 3.6576 3.6624 9.2788 9.3549 9.3757 9.3970 9.8913 9.9400 10.0264 10.0739 11.5860 11.6321 11.6429 11.7224 13.7433 13.7482 13.9767 13.9971 16.6611 16.6866 16.8839 16.9041 16.9946 17.0206 17.2694 17.2858 k = 0.2228 0.1695 1.2262 ( 2652 PWs) bands (ev): -40.5532 -40.5532 -40.5510 -40.5510 -18.2082 -18.2000 -18.1979 -18.1884 -16.2397 -16.1871 -16.1847 -16.1638 -16.0408 -16.0270 -16.0206 -15.9824 3.5762 3.5811 3.6536 3.6575 9.3032 9.3796 9.3956 9.4161 9.8733 9.9187 9.9804 10.0271 11.5851 11.6315 11.6390 11.7201 13.7714 13.7765 13.9708 13.9913 16.7242 16.7469 16.8906 16.9076 17.0084 17.0356 17.2553 17.2692 k = 0.2283 0.1565 1.2403 ( 2650 PWs) bands (ev): -40.5529 -40.5529 -40.5510 -40.5510 -18.2082 -18.2002 -18.1987 -18.1890 -16.2403 -16.1873 -16.1858 -16.1646 -16.0396 -16.0265 -16.0221 -15.9831 3.5865 3.5905 3.6489 3.6520 9.3262 9.4032 9.4138 9.4328 9.8577 9.8997 9.9394 9.9847 11.5847 11.6311 11.6359 11.7183 13.7988 13.8047 13.9618 13.9822 16.7823 16.8016 16.8961 16.9106 17.0228 17.0514 17.2362 17.2502 k = 0.2337 0.1435 1.2544 ( 2644 PWs) bands (ev): -40.5524 -40.5524 -40.5511 -40.5511 -18.2081 -18.2002 -18.1994 -18.1895 -16.2409 -16.1875 -16.1867 -16.1653 -16.0386 -16.0261 -16.0234 -15.9836 3.5963 3.5996 3.6436 3.6458 9.3463 9.4242 9.4301 9.4466 9.8447 9.8835 9.9050 9.9485 11.5847 11.6307 11.6335 11.7170 13.8251 13.8318 13.9498 13.9702 16.8327 16.8484 16.9005 16.9131 17.0390 17.0685 17.2115 17.2294 k = 0.2391 0.1305 1.2685 ( 2644 PWs) bands (ev): -40.5522 -40.5522 -40.5512 -40.5512 -18.2081 -18.2003 -18.1999 -18.1899 -16.2412 -16.1877 -16.1873 -16.1657 -16.0377 -16.0258 -16.0245 -15.9840 3.6057 3.6082 3.6375 3.6391 9.3620 9.4408 9.4434 9.4573 9.8343 9.8704 9.8791 9.9204 11.5849 11.6305 11.6317 11.7160 13.8502 13.8571 13.9350 13.9559 16.8722 16.8842 16.9037 16.9153 17.0590 17.0873 17.1821 17.2071 k = 0.2446 0.1175 1.2826 ( 2648 PWs) bands (ev): -40.5519 -40.5519 -40.5515 -40.5515 -18.2081 -18.2004 -18.2003 -18.1901 -16.2415 -16.1878 -16.1877 -16.1660 -16.0371 -16.0256 -16.0253 -15.9842 3.6146 3.6162 3.6308 3.6320 9.3720 9.4516 9.4523 9.4644 9.8271 9.8616 9.8635 9.9027 11.5851 11.6304 11.6307 11.7154 13.8733 13.8786 13.9181 13.9411 16.8974 16.9047 16.9060 16.9181 17.0849 17.1063 17.1495 17.1856 k = 0.2500 0.1045 1.2966 ( 2652 PWs) bands (ev): -40.5517 -40.5517 -40.5517 -40.5517 -18.2081 -18.2004 -18.2004 -18.1902 -16.2416 -16.1878 -16.1878 -16.1661 -16.0369 -16.0255 -16.0255 -15.9843 3.6222 3.6222 3.6240 3.6263 9.3754 9.4554 9.4554 9.4669 9.8244 9.8584 9.8584 9.8967 11.5851 11.6303 11.6303 11.7152 13.8890 13.8890 13.9045 13.9328 16.9061 16.9061 16.9103 16.9209 17.1154 17.1166 17.1166 17.1744 k = 0.2500 0.1045 1.2966 ( 2652 PWs) bands (ev): -40.5517 -40.5517 -40.5517 -40.5517 -18.2081 -18.2004 -18.2004 -18.1902 -16.2416 -16.1878 -16.1878 -16.1661 -16.0369 -16.0255 -16.0255 -15.9843 3.6222 3.6222 3.6240 3.6263 9.3754 9.4554 9.4554 9.4669 9.8244 9.8584 9.8584 9.8967 11.5851 11.6303 11.6303 11.7152 13.8890 13.8890 13.9045 13.9328 16.9061 16.9061 16.9103 16.9209 17.1154 17.1166 17.1166 17.1744 k = 0.2667 0.1114 1.2891 ( 2648 PWs) bands (ev): -40.5518 -40.5518 -40.5516 -40.5516 -18.2080 -18.2008 -18.1999 -18.1902 -16.2415 -16.1901 -16.1856 -16.1661 -16.0369 -16.0272 -16.0238 -15.9844 3.6200 3.6208 3.6261 3.6276 9.3754 9.4520 9.4585 9.4670 9.8245 9.8571 9.8597 9.8968 11.5855 11.6271 11.6343 11.7154 13.8859 13.8873 13.9071 13.9337 16.9049 16.9056 16.9095 16.9201 17.1064 17.1136 17.1294 17.1764 k = 0.2833 0.1184 1.2815 ( 2646 PWs) bands (ev): -40.5518 -40.5518 -40.5515 -40.5515 -18.2080 -18.2013 -18.1994 -18.1902 -16.2412 -16.1925 -16.1834 -16.1660 -16.0370 -16.0287 -16.0219 -15.9845 3.6174 3.6185 3.6285 3.6296 9.3753 9.4481 9.4616 9.4676 9.8247 9.8556 9.8608 9.8965 11.5866 11.6246 11.6392 11.7160 13.8802 13.8833 13.9110 13.9352 16.9023 16.9032 16.9073 16.9177 17.1006 17.1108 17.1416 17.1806 k = 0.3000 0.1254 1.2740 ( 2645 PWs) bands (ev): -40.5519 -40.5519 -40.5514 -40.5514 -18.2080 -18.2017 -18.1988 -18.1902 -16.2407 -16.1949 -16.1813 -16.1659 -16.0372 -16.0302 -16.0200 -15.9848 3.6151 3.6164 3.6306 3.6313 9.3753 9.4439 9.4649 9.4687 9.8252 9.8540 9.8616 9.8957 11.5885 11.6230 11.6449 11.7169 13.8744 13.8783 13.9139 13.9362 16.8982 16.8989 16.9035 16.9136 17.0987 17.1100 17.1529 17.1854 k = 0.3167 0.1323 1.2665 ( 2643 PWs) bands (ev): -40.5519 -40.5519 -40.5514 -40.5514 -18.2079 -18.2021 -18.1983 -18.1903 -16.2401 -16.1973 -16.1792 -16.1658 -16.0373 -16.0316 -16.0181 -15.9852 3.6130 3.6144 3.6321 3.6326 9.3753 9.4396 9.4684 9.4703 9.8258 9.8523 9.8619 9.8942 11.5912 11.6223 11.6514 11.7183 13.8689 13.8730 13.9151 13.9360 16.8926 16.8927 16.8984 16.9080 17.1005 17.1116 17.1631 17.1902 k = 0.3333 0.1393 1.2589 ( 2643 PWs) bands (ev): -40.5520 -40.5520 -40.5514 -40.5514 -18.2078 -18.2025 -18.1977 -18.1904 -16.2392 -16.1997 -16.1773 -16.1656 -16.0375 -16.0329 -16.0161 -15.9857 3.6112 3.6128 3.6333 3.6335 9.3755 9.4353 9.4720 9.4721 9.8263 9.8503 9.8619 9.8923 11.5946 11.6223 11.6585 11.7201 13.8639 13.8678 13.9148 13.9344 16.8846 16.8855 16.8922 16.9009 17.1054 17.1155 17.1721 17.1946 k = 0.3500 0.1463 1.2514 ( 2643 PWs) bands (ev): -40.5521 -40.5521 -40.5513 -40.5513 -18.2076 -18.2028 -18.1971 -18.1905 -16.2382 -16.2022 -16.1755 -16.1654 -16.0377 -16.0340 -16.0141 -15.9864 3.6097 3.6114 3.6338 3.6339 9.3760 9.4314 9.4738 9.4756 9.8269 9.8480 9.8617 9.8900 11.5986 11.6231 11.6663 11.7222 13.8594 13.8629 13.9130 13.9313 16.8750 16.8769 16.8851 16.8929 17.1127 17.1214 17.1801 17.1985 k = 0.3667 0.1532 1.2438 ( 2642 PWs) bands (ev): -40.5521 -40.5521 -40.5514 -40.5514 -18.2074 -18.2031 -18.1966 -18.1906 -16.2370 -16.2046 -16.1738 -16.1652 -16.0379 -16.0350 -16.0121 -15.9871 3.6085 3.6104 3.6337 3.6341 9.3768 9.4278 9.4753 9.4789 9.8274 9.8457 9.8616 9.8877 11.6033 11.6246 11.6745 11.7245 13.8555 13.8583 13.9097 13.9267 16.8642 16.8671 16.8773 16.8840 17.1214 17.1286 17.1871 17.2019 k = 0.3833 0.1602 1.2363 ( 2647 PWs) bands (ev): -40.5522 -40.5522 -40.5515 -40.5515 -18.2072 -18.2034 -18.1960 -18.1907 -16.2356 -16.2070 -16.1722 -16.1650 -16.0381 -16.0359 -16.0101 -15.9880 3.6077 3.6097 3.6331 3.6337 9.3781 9.4245 9.4762 9.4815 9.8281 9.8434 9.8617 9.8854 11.6083 11.6266 11.6831 11.7270 13.8523 13.8542 13.9051 13.9208 16.8525 16.8563 16.8686 16.8744 17.1308 17.1363 17.1930 17.2047 k = 0.4000 0.1672 1.2287 ( 2652 PWs) bands (ev): -40.5523 -40.5523 -40.5515 -40.5515 -18.2069 -18.2037 -18.1954 -18.1909 -16.2341 -16.2093 -16.1707 -16.1648 -16.0382 -16.0367 -16.0082 -15.9890 3.6072 3.6094 3.6319 3.6328 9.3798 9.4216 9.4763 9.4831 9.8292 9.8417 9.8623 9.8834 11.6136 11.6290 11.6918 11.7295 13.8498 13.8506 13.8994 13.9137 16.8402 16.8450 16.8591 16.8640 17.1400 17.1440 17.1979 17.2071 k = 0.4167 0.1741 1.2212 ( 2652 PWs) bands (ev): -40.5523 -40.5523 -40.5516 -40.5516 -18.2066 -18.2039 -18.1949 -18.1910 -16.2324 -16.2116 -16.1694 -16.1646 -16.0384 -16.0373 -16.0062 -15.9901 3.6072 3.6094 3.6302 3.6313 9.3818 9.4187 9.4755 9.4834 9.8310 9.8408 9.8637 9.8819 11.6191 11.6316 11.7006 11.7320 13.8476 13.8479 13.8926 13.9056 16.8278 16.8332 16.8487 16.8530 17.1485 17.1509 17.2019 17.2089 k = 0.4333 0.1811 1.2136 ( 2650 PWs) bands (ev): -40.5522 -40.5522 -40.5517 -40.5517 -18.2063 -18.2041 -18.1943 -18.1912 -16.2306 -16.2138 -16.1681 -16.1644 -16.0385 -16.0378 -16.0043 -15.9913 3.6075 3.6098 3.6280 3.6293 9.3842 9.4155 9.4737 9.4821 9.8337 9.8411 9.8660 9.8811 11.6245 11.6344 11.7092 11.7343 13.8453 13.8467 13.8849 13.8965 16.8154 16.8211 16.8376 16.8412 17.1556 17.1567 17.2049 17.2102 k = 0.4500 0.1881 1.2061 ( 2650 PWs) bands (ev): -40.5522 -40.5522 -40.5518 -40.5518 -18.2059 -18.2043 -18.1937 -18.1914 -16.2286 -16.2160 -16.1670 -16.1642 -16.0386 -16.0381 -16.0025 -15.9926 3.6081 3.6105 3.6251 3.6267 9.3865 9.4116 9.4711 9.4791 9.8376 9.8427 9.8696 9.8813 11.6298 11.6372 11.7176 11.7362 13.8436 13.8462 13.8764 13.8866 16.8032 16.8087 16.8258 16.8289 17.1611 17.1613 17.2071 17.2109 k = 0.4667 0.1950 1.1985 ( 2651 PWs) bands (ev): -40.5522 -40.5522 -40.5519 -40.5519 -18.2055 -18.2044 -18.1931 -18.1916 -16.2265 -16.2180 -16.1659 -16.1642 -16.0386 -16.0384 -16.0006 -15.9940 3.6092 3.6116 3.6218 3.6236 9.3887 9.4065 9.4679 9.4744 9.8427 9.8458 9.8748 9.8828 11.6349 11.6398 11.7254 11.7378 13.8426 13.8462 13.8674 13.8759 16.7912 16.7958 16.8136 16.8160 17.1644 17.1648 17.2083 17.2108 k = 0.4833 0.2020 1.1910 ( 2652 PWs) bands (ev): -40.5522 -40.5522 -40.5520 -40.5520 -18.2051 -18.2045 -18.1926 -18.1918 -16.2242 -16.2200 -16.1650 -16.1641 -16.0386 -16.0385 -15.9988 -15.9955 3.6105 3.6127 3.6182 3.6200 9.3904 9.3997 9.4645 9.4682 9.8489 9.8504 9.8820 9.8860 11.6397 11.6421 11.7327 11.7389 13.8422 13.8459 13.8587 13.8649 16.7793 16.7822 16.8013 16.8027 17.1663 17.1667 17.2087 17.2099 k = 0.5000 0.2090 1.1834 ( 2652 PWs) bands (ev): -40.5522 -40.5522 -40.5522 -40.5522 -18.2046 -18.2046 -18.1920 -18.1920 -16.2218 -16.2218 -16.1641 -16.1641 -16.0386 -16.0386 -15.9970 -15.9970 3.6118 3.6118 3.6164 3.6164 9.3910 9.3910 9.4608 9.4608 9.8564 9.8564 9.8912 9.8912 11.6440 11.6440 11.7394 11.7394 13.8414 13.8414 13.8543 13.8543 16.7672 16.7672 16.7893 16.7893 17.1670 17.1670 17.2084 17.2084 k = 0.5000 0.2090 1.1834 ( 2652 PWs) bands (ev): -40.5522 -40.5522 -40.5522 -40.5522 -18.2046 -18.2046 -18.1920 -18.1920 -16.2218 -16.2218 -16.1641 -16.1641 -16.0386 -16.0386 -15.9970 -15.9970 3.6118 3.6118 3.6164 3.6164 9.3910 9.3910 9.4608 9.4608 9.8564 9.8564 9.8912 9.8912 11.6440 11.6440 11.7394 11.7394 13.8414 13.8414 13.8543 13.8543 16.7672 16.7672 16.7893 16.7893 17.1670 17.1670 17.2084 17.2084 k = 0.5000 0.2090 1.1633 ( 2648 PWs) bands (ev): -40.5523 -40.5523 -40.5523 -40.5523 -18.2041 -18.2041 -18.1914 -18.1914 -16.2209 -16.2209 -16.1630 -16.1630 -16.0385 -16.0385 -15.9968 -15.9968 3.6075 3.6075 3.6128 3.6128 9.3782 9.3782 9.4455 9.4455 9.8769 9.8769 9.9138 9.9138 11.6522 11.6522 11.7485 11.7485 13.8269 13.8269 13.8401 13.8401 16.7289 16.7289 16.7548 16.7548 17.1651 17.1651 17.2039 17.2039 k = 0.5000 0.2090 1.1433 ( 2648 PWs) bands (ev): -40.5525 -40.5525 -40.5525 -40.5525 -18.2034 -18.2034 -18.1908 -18.1908 -16.2198 -16.2198 -16.1618 -16.1618 -16.0384 -16.0384 -15.9965 -15.9965 3.6025 3.6025 3.6084 3.6084 9.3658 9.3658 9.4310 9.4310 9.8983 9.8983 9.9374 9.9374 11.6613 11.6613 11.7586 11.7586 13.8105 13.8105 13.8238 13.8238 16.6888 16.6888 16.7181 16.7181 17.1600 17.1600 17.1970 17.1970 k = 0.5000 0.2090 1.1232 ( 2646 PWs) bands (ev): -40.5527 -40.5527 -40.5527 -40.5527 -18.2027 -18.2027 -18.1901 -18.1901 -16.2186 -16.2186 -16.1604 -16.1604 -16.0383 -16.0383 -15.9962 -15.9962 3.5966 3.5966 3.6031 3.6031 9.3545 9.3545 9.4178 9.4178 9.9202 9.9202 9.9614 9.9614 11.6713 11.6713 11.7696 11.7696 13.7923 13.7923 13.8058 13.8058 16.6476 16.6476 16.6799 16.6799 17.1521 17.1521 17.1877 17.1877 k = 0.5000 0.2090 1.1032 ( 2644 PWs) bands (ev): -40.5529 -40.5529 -40.5529 -40.5529 -18.2019 -18.2019 -18.1892 -18.1892 -16.2172 -16.2172 -16.1588 -16.1588 -16.0382 -16.0382 -15.9958 -15.9958 3.5898 3.5898 3.5968 3.5968 9.3446 9.3446 9.4064 9.4064 9.9423 9.9423 9.9856 9.9856 11.6818 11.6818 11.7812 11.7812 13.7727 13.7727 13.7861 13.7861 16.6058 16.6058 16.6407 16.6407 17.1420 17.1420 17.1763 17.1763 k = 0.5000 0.2090 1.0831 ( 2640 PWs) bands (ev): -40.5531 -40.5531 -40.5531 -40.5531 -18.2010 -18.2010 -18.1883 -18.1883 -16.2157 -16.2157 -16.1570 -16.1570 -16.0380 -16.0380 -15.9954 -15.9954 3.5819 3.5819 3.5895 3.5895 9.3365 9.3365 9.3972 9.3972 9.9644 9.9644 10.0096 10.0096 11.6929 11.6929 11.7932 11.7932 13.7519 13.7519 13.7651 13.7651 16.5638 16.5638 16.6009 16.6009 17.1301 17.1301 17.1633 17.1633 k = 0.5000 0.2090 1.0631 ( 2640 PWs) bands (ev): -40.5534 -40.5534 -40.5534 -40.5534 -18.2000 -18.2000 -18.1874 -18.1874 -16.2140 -16.2140 -16.1551 -16.1551 -16.0379 -16.0379 -15.9949 -15.9949 3.5730 3.5730 3.5811 3.5811 9.3308 9.3308 9.3904 9.3904 9.9864 9.9864 10.0334 10.0334 11.7041 11.7041 11.8053 11.8053 13.7302 13.7302 13.7430 13.7430 16.5220 16.5220 16.5609 16.5609 17.1170 17.1170 17.1489 17.1489 k = 0.5000 0.2090 1.0430 ( 2656 PWs) bands (ev): -40.5539 -40.5539 -40.5539 -40.5539 -18.1990 -18.1990 -18.1863 -18.1863 -16.2122 -16.2122 -16.1531 -16.1531 -16.0377 -16.0377 -15.9944 -15.9944 3.5629 3.5629 3.5715 3.5715 9.3276 9.3276 9.3863 9.3863 10.0080 10.0080 10.0566 10.0566 11.7154 11.7154 11.8173 11.8173 13.7078 13.7078 13.7202 13.7202 16.4804 16.4804 16.5211 16.5211 17.1032 17.1032 17.1335 17.1335 k = 0.5000 0.2090 1.0229 ( 2652 PWs) bands (ev): -40.5542 -40.5542 -40.5542 -40.5542 -18.1978 -18.1978 -18.1852 -18.1852 -16.2103 -16.2103 -16.1508 -16.1508 -16.0375 -16.0375 -15.9939 -15.9939 3.5516 3.5516 3.5606 3.5606 9.3272 9.3272 9.3852 9.3852 10.0292 10.0292 10.0793 10.0793 11.7264 11.7264 11.8290 11.8290 13.6852 13.6852 13.6970 13.6970 16.4396 16.4396 16.4816 16.4816 17.0890 17.0890 17.1176 17.1176 k = 0.5000 0.2090 1.0029 ( 2652 PWs) bands (ev): -40.5546 -40.5546 -40.5546 -40.5546 -18.1966 -18.1966 -18.1840 -18.1840 -16.2082 -16.2082 -16.1485 -16.1485 -16.0373 -16.0373 -15.9933 -15.9933 3.5389 3.5389 3.5484 3.5484 9.3300 9.3300 9.3872 9.3872 10.0500 10.0500 10.1014 10.1014 11.7371 11.7371 11.8401 11.8401 13.6626 13.6626 13.6737 13.6737 16.3995 16.3995 16.4427 16.4427 17.0747 17.0747 17.1012 17.1012 k = 0.5000 0.2090 0.9828 ( 2640 PWs) bands (ev): -40.5548 -40.5548 -40.5548 -40.5548 -18.1953 -18.1953 -18.1827 -18.1827 -16.2060 -16.2060 -16.1459 -16.1459 -16.0370 -16.0370 -15.9926 -15.9926 3.5248 3.5248 3.5347 3.5347 9.3360 9.3360 9.3926 9.3926 10.0702 10.0702 10.1227 10.1227 11.7473 11.7473 11.8505 11.8505 13.6404 13.6404 13.6507 13.6507 16.3605 16.3605 16.4046 16.4046 17.0604 17.0604 17.0846 17.0846 k = 0.5000 0.2090 0.9628 ( 2640 PWs) bands (ev): -40.5552 -40.5552 -40.5552 -40.5552 -18.1939 -18.1939 -18.1814 -18.1814 -16.2037 -16.2037 -16.1433 -16.1433 -16.0368 -16.0368 -15.9919 -15.9919 3.5093 3.5093 3.5195 3.5195 9.3456 9.3456 9.4015 9.4015 10.0898 10.0898 10.1434 10.1434 11.7566 11.7566 11.8599 11.8599 13.6189 13.6189 13.6282 13.6282 16.3226 16.3226 16.3675 16.3675 17.0461 17.0461 17.0676 17.0676 k = 0.5000 0.2090 0.9427 ( 2636 PWs) bands (ev): -40.5556 -40.5556 -40.5556 -40.5556 -18.1925 -18.1925 -18.1799 -18.1799 -16.2013 -16.2013 -16.1405 -16.1405 -16.0365 -16.0365 -15.9912 -15.9912 3.4923 3.4923 3.5028 3.5028 9.3588 9.3588 9.4141 9.4141 10.1087 10.1087 10.1633 10.1633 11.7651 11.7651 11.8682 11.8682 13.5983 13.5983 13.6067 13.6067 16.2859 16.2859 16.3315 16.3315 17.0317 17.0317 17.0503 17.0503 k = 0.5000 0.2090 0.9227 ( 2636 PWs) bands (ev): -40.5560 -40.5560 -40.5560 -40.5560 -18.1910 -18.1910 -18.1785 -18.1785 -16.1987 -16.1987 -16.1376 -16.1376 -16.0362 -16.0362 -15.9905 -15.9905 3.4737 3.4737 3.4845 3.4845 9.3757 9.3757 9.4304 9.4304 10.1270 10.1270 10.1824 10.1824 11.7726 11.7726 11.8752 11.8752 13.5790 13.5790 13.5864 13.5864 16.2506 16.2506 16.2967 16.2967 17.0171 17.0171 17.0327 17.0327 k = 0.5000 0.2090 0.9026 ( 2636 PWs) bands (ev): -40.5565 -40.5565 -40.5565 -40.5565 -18.1894 -18.1894 -18.1769 -18.1769 -16.1961 -16.1961 -16.1346 -16.1346 -16.0359 -16.0359 -15.9897 -15.9897 3.4534 3.4534 3.4646 3.4646 9.3965 9.3965 9.4505 9.4505 10.1446 10.1446 10.2008 10.2008 11.7791 11.7791 11.8809 11.8809 13.5611 13.5611 13.5676 13.5676 16.2168 16.2168 16.2631 16.2631 17.0022 17.0022 17.0145 17.0145 k = 0.5000 0.2090 0.8825 ( 2636 PWs) bands (ev): -40.5569 -40.5569 -40.5569 -40.5569 -18.1878 -18.1878 -18.1753 -18.1753 -16.1934 -16.1934 -16.1315 -16.1315 -16.0355 -16.0355 -15.9888 -15.9888 3.4316 3.4316 3.4430 3.4430 9.4213 9.4213 9.4745 9.4745 10.1616 10.1616 10.2185 10.2185 11.7845 11.7845 11.8853 11.8853 13.5448 13.5448 13.5504 13.5504 16.1845 16.1845 16.2311 16.2311 16.9866 16.9866 16.9957 16.9957 k = 0.5000 0.2090 0.8625 ( 2630 PWs) bands (ev): -40.5573 -40.5573 -40.5573 -40.5573 -18.1861 -18.1861 -18.1737 -18.1737 -16.1905 -16.1905 -16.1282 -16.1282 -16.0351 -16.0351 -15.9879 -15.9879 3.4081 3.4081 3.4198 3.4198 9.4500 9.4500 9.5024 9.5024 10.1778 10.1778 10.2355 10.2355 11.7889 11.7889 11.8883 11.8883 13.5301 13.5301 13.5351 13.5351 16.1538 16.1538 16.2005 16.2005 16.9699 16.9699 16.9764 16.9764 k = 0.5000 0.2090 0.8424 ( 2630 PWs) bands (ev): -40.5578 -40.5578 -40.5578 -40.5578 -18.1844 -18.1844 -18.1720 -18.1720 -16.1876 -16.1876 -16.1249 -16.1249 -16.0347 -16.0347 -15.9870 -15.9870 3.3830 3.3830 3.3950 3.3950 9.4826 9.4826 9.5342 9.5342 10.1934 10.1934 10.2517 10.2517 11.7924 11.7924 11.8902 11.8902 13.5170 13.5170 13.5216 13.5216 16.1249 16.1249 16.1715 16.1715 16.9515 16.9515 16.9569 16.9569 k = 0.5000 0.2090 0.8224 ( 2630 PWs) bands (ev): -40.5584 -40.5584 -40.5584 -40.5584 -18.1826 -18.1826 -18.1703 -18.1703 -16.1845 -16.1845 -16.1215 -16.1215 -16.0343 -16.0343 -15.9861 -15.9861 3.3563 3.3563 3.3686 3.3686 9.5191 9.5191 9.5698 9.5698 10.2084 10.2084 10.2674 10.2674 11.7951 11.7951 11.8909 11.8909 13.5054 13.5054 13.5101 13.5101 16.0977 16.0977 16.1443 16.1443 16.9307 16.9307 16.9376 16.9376 k = 0.5000 0.2090 0.8023 ( 2626 PWs) bands (ev): -40.5588 -40.5588 -40.5588 -40.5588 -18.1807 -18.1807 -18.1685 -18.1685 -16.1814 -16.1814 -16.1180 -16.1180 -16.0338 -16.0338 -15.9851 -15.9851 3.3280 3.3280 3.3405 3.3405 9.5595 9.5595 9.6092 9.6092 10.2226 10.2226 10.2824 10.2824 11.7972 11.7972 11.8908 11.8908 13.4954 13.4954 13.5005 13.5005 16.0724 16.0724 16.1187 16.1187 16.9080 16.9080 16.9178 16.9178 k = 0.5000 0.2090 0.7823 ( 2626 PWs) bands (ev): -40.5594 -40.5594 -40.5594 -40.5594 -18.1788 -18.1788 -18.1667 -18.1667 -16.1783 -16.1783 -16.1145 -16.1145 -16.0333 -16.0333 -15.9840 -15.9840 3.2982 3.2982 3.3110 3.3110 9.6035 9.6035 9.6523 9.6523 10.2363 10.2363 10.2968 10.2968 11.7989 11.7989 11.8901 11.8901 13.4869 13.4869 13.4924 13.4924 16.0490 16.0490 16.0950 16.0950 16.8836 16.8836 16.8969 16.8969 k = 0.5000 0.2090 0.7622 ( 2632 PWs) bands (ev): -40.5600 -40.5600 -40.5600 -40.5600 -18.1769 -18.1769 -18.1649 -18.1649 -16.1750 -16.1750 -16.1109 -16.1109 -16.0327 -16.0327 -15.9830 -15.9830 3.2669 3.2669 3.2800 3.2800 9.6511 9.6511 9.6989 9.6989 10.2495 10.2495 10.3107 10.3107 11.8005 11.8005 11.8890 11.8890 13.4796 13.4796 13.4858 13.4858 16.0276 16.0276 16.0732 16.0732 16.8579 16.8579 16.8747 16.8747 k = 0.5000 0.2090 0.7421 ( 2636 PWs) bands (ev): -40.5606 -40.5606 -40.5606 -40.5606 -18.1750 -18.1750 -18.1630 -18.1630 -16.1717 -16.1717 -16.1073 -16.1073 -16.0321 -16.0321 -15.9819 -15.9819 3.2342 3.2342 3.2476 3.2476 9.7020 9.7020 9.7489 9.7489 10.2621 10.2621 10.3242 10.3242 11.8023 11.8023 11.8878 11.8878 13.4736 13.4736 13.4803 13.4803 16.0083 16.0083 16.0535 16.0535 16.8308 16.8308 16.8510 16.8510 k = 0.5000 0.2090 0.7221 ( 2636 PWs) bands (ev): -40.5611 -40.5611 -40.5611 -40.5611 -18.1730 -18.1730 -18.1611 -18.1611 -16.1684 -16.1684 -16.1037 -16.1037 -16.0314 -16.0314 -15.9807 -15.9807 3.2003 3.2003 3.2139 3.2139 9.7560 9.7560 9.8019 9.8019 10.2744 10.2744 10.3374 10.3374 11.8045 11.8045 11.8869 11.8869 13.4685 13.4685 13.4758 13.4758 15.9912 15.9912 16.0358 16.0358 16.8024 16.8024 16.8259 16.8259 k = 0.5000 0.2090 0.7020 ( 2638 PWs) bands (ev): -40.5617 -40.5617 -40.5617 -40.5617 -18.1710 -18.1710 -18.1592 -18.1592 -16.1650 -16.1650 -16.1000 -16.1000 -16.0307 -16.0307 -15.9796 -15.9796 3.1651 3.1651 3.1790 3.1790 9.8126 9.8126 9.8577 9.8577 10.2864 10.2864 10.3504 10.3504 11.8074 11.8074 11.8865 11.8865 13.4642 13.4642 13.4719 13.4719 15.9763 15.9763 16.0202 16.0202 16.7726 16.7726 16.7994 16.7994 k = 0.5000 0.2090 0.6820 ( 2638 PWs) bands (ev): -40.5623 -40.5623 -40.5623 -40.5623 -18.1689 -18.1689 -18.1573 -18.1573 -16.1615 -16.1615 -16.0964 -16.0964 -16.0299 -16.0299 -15.9784 -15.9784 3.1289 3.1289 3.1431 3.1431 9.8716 9.8716 9.9159 9.9159 10.2984 10.2984 10.3634 10.3634 11.8114 11.8114 11.8870 11.8870 13.4604 13.4604 13.4684 13.4684 15.9638 15.9638 16.0069 16.0069 16.7417 16.7417 16.7713 16.7713 k = 0.5000 0.2090 0.6619 ( 2638 PWs) bands (ev): -40.5629 -40.5629 -40.5629 -40.5629 -18.1669 -18.1669 -18.1554 -18.1554 -16.1581 -16.1581 -16.0928 -16.0928 -16.0290 -16.0290 -15.9772 -15.9772 3.0917 3.0917 3.1061 3.1061 9.9323 9.9323 9.9759 9.9759 10.3107 10.3107 10.3768 10.3768 11.8166 11.8166 11.8886 11.8886 13.4569 13.4569 13.4652 13.4652 15.9536 15.9536 15.9959 15.9959 16.7095 16.7095 16.7419 16.7419 k = 0.5000 0.2090 0.6418 ( 2630 PWs) bands (ev): -40.5633 -40.5633 -40.5633 -40.5633 -18.1648 -18.1648 -18.1534 -18.1534 -16.1546 -16.1546 -16.0893 -16.0893 -16.0280 -16.0280 -15.9759 -15.9759 3.0537 3.0537 3.0683 3.0683 9.9941 9.9941 10.0369 10.0369 10.3239 10.3239 10.3910 10.3910 11.8233 11.8233 11.8916 11.8916 13.4536 13.4536 13.4619 13.4619 15.9458 15.9458 15.9872 15.9872 16.6762 16.6762 16.7110 16.7110 k = 0.5000 0.2090 0.6218 ( 2630 PWs) bands (ev): -40.5639 -40.5639 -40.5639 -40.5639 -18.1627 -18.1627 -18.1515 -18.1515 -16.1510 -16.1510 -16.0859 -16.0859 -16.0269 -16.0269 -15.9747 -15.9747 3.0150 3.0150 3.0297 3.0297 10.0557 10.0557 10.0977 10.0977 10.3391 10.3391 10.4067 10.4067 11.8317 11.8317 11.8963 11.8963 13.4502 13.4502 13.4585 13.4585 15.9405 15.9405 15.9809 15.9809 16.6419 16.6419 16.6789 16.6789 k = 0.5000 0.2090 0.6017 ( 2626 PWs) bands (ev): -40.5644 -40.5644 -40.5644 -40.5644 -18.1606 -18.1606 -18.1496 -18.1496 -16.1475 -16.1475 -16.0825 -16.0825 -16.0257 -16.0257 -15.9734 -15.9734 2.9757 2.9757 2.9906 2.9906 10.1158 10.1158 10.1561 10.1561 10.3581 10.3581 10.4251 10.4251 11.8420 11.8420 11.9029 11.9029 13.4467 13.4467 13.4549 13.4549 15.9376 15.9376 15.9769 15.9769 16.6065 16.6065 16.6455 16.6455 k = 0.5000 0.2090 0.5817 ( 2626 PWs) bands (ev): -40.5650 -40.5650 -40.5650 -40.5650 -18.1585 -18.1585 -18.1477 -18.1477 -16.1440 -16.1440 -16.0793 -16.0793 -16.0244 -16.0244 -15.9722 -15.9722 2.9360 2.9360 2.9510 2.9510 10.1723 10.1723 10.2088 10.2088 10.3841 10.3841 10.4477 10.4477 11.8543 11.8543 11.9115 11.9115 13.4430 13.4430 13.4510 13.4510 15.9371 15.9371 15.9752 15.9752 16.5702 16.5702 16.6108 16.6108 k = 0.5000 0.2090 0.5616 ( 2622 PWs) bands (ev): -40.5655 -40.5655 -40.5655 -40.5655 -18.1564 -18.1564 -18.1458 -18.1458 -16.1405 -16.1405 -16.0763 -16.0763 -16.0229 -16.0229 -15.9709 -15.9709 2.8960 2.8960 2.9111 2.9111 10.2222 10.2222 10.2520 10.2520 10.4210 10.4210 10.4769 10.4769 11.8686 11.8686 11.9223 11.9223 13.4390 13.4390 13.4469 13.4469 15.9391 15.9391 15.9759 15.9759 16.5330 16.5330 16.5750 16.5750 k = 0.5000 0.2090 0.5416 ( 2618 PWs) bands (ev): -40.5660 -40.5660 -40.5660 -40.5660 -18.1543 -18.1543 -18.1439 -18.1439 -16.1369 -16.1369 -16.0734 -16.0734 -16.0213 -16.0213 -15.9696 -15.9696 2.8559 2.8559 2.8710 2.8710 10.2623 10.2623 10.2848 10.2848 10.4701 10.4701 10.5146 10.5146 11.8850 11.8850 11.9352 11.9352 13.4349 13.4349 13.4427 13.4427 15.9434 15.9434 15.9787 15.9787 16.4950 16.4950 16.5381 16.5381 k = 0.5000 0.2090 0.5215 ( 2622 PWs) bands (ev): -40.5666 -40.5666 -40.5666 -40.5666 -18.1522 -18.1522 -18.1420 -18.1420 -16.1335 -16.1335 -16.0707 -16.0707 -16.0195 -16.0195 -15.9683 -15.9683 2.8158 2.8158 2.8309 2.8309 10.2905 10.2905 10.3109 10.3109 10.5285 10.5285 10.5614 10.5614 11.9034 11.9034 11.9504 11.9504 13.4306 13.4306 13.4386 13.4386 15.9500 15.9500 15.9837 15.9837 16.4561 16.4561 16.5002 16.5002 k = 0.5000 0.2090 0.5014 ( 2626 PWs) bands (ev): -40.5672 -40.5672 -40.5672 -40.5672 -18.1502 -18.1502 -18.1402 -18.1402 -16.1300 -16.1300 -16.0682 -16.0682 -16.0175 -16.0175 -15.9671 -15.9671 2.7759 2.7759 2.7909 2.7909 10.3091 10.3091 10.3326 10.3326 10.5923 10.5923 10.6160 10.6160 11.9236 11.9236 11.9677 11.9677 13.4264 13.4264 13.4348 13.4348 15.9586 15.9586 15.9906 15.9906 16.4166 16.4166 16.4615 16.4615 k = 0.5000 0.2090 0.4814 ( 2628 PWs) bands (ev): -40.5678 -40.5678 -40.5678 -40.5678 -18.1482 -18.1482 -18.1385 -18.1385 -16.1265 -16.1265 -16.0660 -16.0660 -16.0154 -16.0154 -15.9658 -15.9658 2.7363 2.7363 2.7511 2.7511 10.3226 10.3226 10.3502 10.3502 10.6587 10.6587 10.6758 10.6758 11.9453 11.9453 11.9870 11.9870 13.4226 13.4226 13.4317 13.4317 15.9690 15.9690 15.9992 15.9992 16.3765 16.3765 16.4221 16.4221 k = 0.5000 0.2090 0.4613 ( 2642 PWs) bands (ev): -40.5685 -40.5685 -40.5685 -40.5685 -18.1462 -18.1462 -18.1367 -18.1367 -16.1231 -16.1231 -16.0640 -16.0640 -16.0131 -16.0131 -15.9646 -15.9646 2.6971 2.6971 2.7118 2.7118 10.3334 10.3334 10.3643 10.3643 10.7258 10.7258 10.7386 10.7386 11.9683 11.9683 12.0079 12.0079 13.4197 13.4197 13.4296 13.4296 15.9808 15.9808 16.0092 16.0092 16.3360 16.3360 16.3823 16.3823 k = 0.5000 0.2090 0.4413 ( 2638 PWs) bands (ev): -40.5689 -40.5689 -40.5689 -40.5689 -18.1442 -18.1442 -18.1351 -18.1351 -16.1198 -16.1198 -16.0623 -16.0623 -16.0107 -16.0107 -15.9634 -15.9634 2.6585 2.6585 2.6730 2.6730 10.3429 10.3429 10.3761 10.3761 10.7925 10.7925 10.8030 10.8030 11.9921 11.9921 12.0302 12.0302 13.4180 13.4180 13.4291 13.4291 15.9932 15.9932 16.0204 16.0204 16.2954 16.2954 16.3427 16.3427 k = 0.5000 0.2090 0.4212 ( 2634 PWs) bands (ev): -40.5694 -40.5694 -40.5694 -40.5694 -18.1423 -18.1423 -18.1334 -18.1334 -16.1165 -16.1165 -16.0607 -16.0607 -16.0081 -16.0081 -15.9623 -15.9623 2.6207 2.6207 2.6349 2.6349 10.3515 10.3515 10.3862 10.3862 10.8581 10.8581 10.8676 10.8676 12.0161 12.0161 12.0531 12.0531 13.4183 13.4183 13.4305 13.4305 16.0050 16.0050 16.0326 16.0326 16.2551 16.2551 16.3043 16.3043 k = 0.5000 0.2090 0.4012 ( 2630 PWs) bands (ev): -40.5698 -40.5698 -40.5698 -40.5698 -18.1404 -18.1404 -18.1318 -18.1318 -16.1132 -16.1132 -16.0594 -16.0594 -16.0054 -16.0054 -15.9612 -15.9612 2.5837 2.5837 2.5976 2.5976 10.3596 10.3596 10.3951 10.3951 10.9220 10.9220 10.9316 10.9316 12.0398 12.0398 12.0761 12.0761 13.4211 13.4211 13.4345 13.4345 16.0135 16.0135 16.0456 16.0456 16.2157 16.2157 16.2689 16.2689 k = 0.5000 0.2090 0.3811 ( 2630 PWs) bands (ev): -40.5703 -40.5703 -40.5703 -40.5703 -18.1385 -18.1385 -18.1303 -18.1303 -16.1100 -16.1100 -16.0583 -16.0583 -16.0026 -16.0026 -15.9601 -15.9601 2.5477 2.5477 2.5612 2.5612 10.3675 10.3675 10.4033 10.4033 10.9842 10.9842 10.9944 10.9944 12.0624 12.0624 12.0984 12.0984 13.4269 13.4269 13.4415 13.4415 16.0152 16.0152 16.0582 16.0582 16.1786 16.1786 16.2396 16.2396 k = 0.5000 0.2090 0.3610 ( 2634 PWs) bands (ev): -40.5708 -40.5708 -40.5708 -40.5708 -18.1367 -18.1367 -18.1289 -18.1289 -16.1069 -16.1069 -16.0574 -16.0574 -15.9997 -15.9997 -15.9591 -15.9591 2.5128 2.5128 2.5259 2.5259 10.3752 10.3752 10.4109 10.4109 11.0444 11.0444 11.0554 11.0554 12.0834 12.0834 12.1190 12.1190 13.4365 13.4365 13.4521 13.4521 16.0066 16.0066 16.0646 16.0646 16.1491 16.1491 16.2205 16.2205 k = 0.5000 0.2090 0.3410 ( 2638 PWs) bands (ev): -40.5713 -40.5713 -40.5713 -40.5713 -18.1350 -18.1350 -18.1275 -18.1275 -16.1038 -16.1038 -16.0567 -16.0567 -15.9969 -15.9969 -15.9581 -15.9581 2.4791 2.4791 2.4917 2.4917 10.3828 10.3828 10.4181 10.4181 11.1027 11.1027 11.1144 11.1144 12.1020 12.1020 12.1372 12.1372 13.4503 13.4503 13.4668 13.4668 15.9864 15.9864 16.0513 16.0513 16.1398 16.1398 16.2134 16.2134 k = 0.5000 0.2090 0.3209 ( 2630 PWs) bands (ev): -40.5716 -40.5716 -40.5716 -40.5716 -18.1333 -18.1333 -18.1262 -18.1262 -16.1008 -16.1008 -16.0561 -16.0561 -15.9939 -15.9939 -15.9572 -15.9572 2.4468 2.4468 2.4589 2.4589 10.3904 10.3904 10.4249 10.4249 11.1590 11.1590 11.1712 11.1712 12.1175 12.1175 12.1521 12.1521 13.4687 13.4687 13.4859 13.4859 15.9566 15.9566 16.0180 16.0180 16.1507 16.1507 16.2168 16.2168 k = 0.5000 0.2090 0.3009 ( 2626 PWs) bands (ev): -40.5719 -40.5719 -40.5719 -40.5719 -18.1317 -18.1317 -18.1249 -18.1249 -16.0979 -16.0979 -16.0558 -16.0558 -15.9910 -15.9910 -15.9564 -15.9564 2.4159 2.4159 2.4274 2.4274 10.3980 10.3980 10.4315 10.4315 11.2132 11.2132 11.2258 11.2258 12.1294 12.1294 12.1631 12.1631 13.4919 13.4919 13.5096 13.5096 15.9206 15.9206 15.9768 15.9768 16.1695 16.1695 16.2274 16.2274 k = 0.5000 0.2090 0.2808 ( 2622 PWs) bands (ev): -40.5723 -40.5723 -40.5723 -40.5723 -18.1301 -18.1301 -18.1237 -18.1237 -16.0950 -16.0950 -16.0555 -16.0555 -15.9881 -15.9881 -15.9557 -15.9557 2.3865 2.3865 2.3975 2.3975 10.4056 10.4056 10.4378 10.4378 11.2656 11.2656 11.2783 11.2783 12.1373 12.1373 12.1698 12.1698 13.5197 13.5197 13.5377 13.5377 15.8812 15.8812 15.9328 15.9328 16.1912 16.1912 16.2422 16.2422 k = 0.5000 0.2090 0.2608 ( 2622 PWs) bands (ev): -40.5726 -40.5726 -40.5726 -40.5726 -18.1286 -18.1286 -18.1227 -18.1227 -16.0923 -16.0923 -16.0554 -16.0554 -15.9853 -15.9853 -15.9551 -15.9551 2.3588 2.3588 2.3692 2.3692 10.4131 10.4131 10.4439 10.4439 11.3161 11.3161 11.3287 11.3287 12.1409 12.1409 12.1718 12.1718 13.5518 13.5518 13.5700 13.5700 15.8401 15.8401 15.8879 15.8879 16.2140 16.2140 16.2595 16.2595 k = 0.5000 0.2090 0.2407 ( 2622 PWs) bands (ev): -40.5729 -40.5729 -40.5729 -40.5729 -18.1272 -18.1272 -18.1217 -18.1217 -16.0896 -16.0896 -16.0555 -16.0555 -15.9825 -15.9825 -15.9546 -15.9546 2.3328 2.3328 2.3425 2.3425 10.4206 10.4206 10.4497 10.4497 11.3648 11.3648 11.3772 11.3772 12.1402 12.1402 12.1693 12.1693 13.5877 13.5877 13.6060 13.6060 15.7985 15.7985 15.8430 15.8430 16.2372 16.2372 16.2781 16.2781 k = 0.5000 0.2090 0.2206 ( 2618 PWs) bands (ev): -40.5732 -40.5732 -40.5732 -40.5732 -18.1259 -18.1259 -18.1208 -18.1208 -16.0870 -16.0870 -16.0556 -16.0556 -15.9798 -15.9798 -15.9541 -15.9541 2.3086 2.3086 2.3177 2.3177 10.4279 10.4279 10.4553 10.4553 11.4118 11.4118 11.4238 11.4238 12.1352 12.1352 12.1623 12.1623 13.6267 13.6267 13.6449 13.6449 15.7572 15.7572 15.7985 15.7985 16.2604 16.2604 16.2972 16.2972 k = 0.5000 0.2090 0.2006 ( 2628 PWs) bands (ev): -40.5736 -40.5736 -40.5736 -40.5736 -18.1247 -18.1247 -18.1200 -18.1200 -16.0845 -16.0845 -16.0559 -16.0559 -15.9772 -15.9772 -15.9538 -15.9538 2.2864 2.2864 2.2946 2.2946 10.4350 10.4350 10.4604 10.4604 11.4573 11.4573 11.4686 11.4686 12.1263 12.1263 12.1512 12.1512 13.6677 13.6677 13.6856 13.6856 15.7167 15.7167 15.7551 15.7551 16.2832 16.2832 16.3162 16.3162 k = 0.5000 0.2090 0.1805 ( 2634 PWs) bands (ev): -40.5739 -40.5739 -40.5739 -40.5739 -18.1235 -18.1235 -18.1193 -18.1193 -16.0821 -16.0821 -16.0564 -16.0564 -15.9747 -15.9747 -15.9537 -15.9537 2.2660 2.2660 2.2736 2.2736 10.4419 10.4419 10.4652 10.4652 11.5013 11.5013 11.5119 11.5119 12.1137 12.1137 12.1363 12.1363 13.7098 13.7098 13.7273 13.7273 15.6778 15.6778 15.7131 15.7131 16.3052 16.3052 16.3347 16.3347 k = 0.5000 0.2090 0.1605 ( 2638 PWs) bands (ev): -40.5742 -40.5742 -40.5742 -40.5742 -18.1225 -18.1225 -18.1186 -18.1186 -16.0798 -16.0798 -16.0569 -16.0569 -15.9724 -15.9724 -15.9536 -15.9536 2.2477 2.2477 2.2545 2.2545 10.4485 10.4485 10.4695 10.4695 11.5439 11.5439 11.5536 11.5536 12.0978 12.0978 12.1182 12.1182 13.7519 13.7519 13.7688 13.7688 15.6409 15.6409 15.6732 15.6732 16.3262 16.3262 16.3524 16.3524 k = 0.5000 0.2090 0.1404 ( 2650 PWs) bands (ev): -40.5746 -40.5746 -40.5746 -40.5746 -18.1215 -18.1215 -18.1181 -18.1181 -16.0776 -16.0776 -16.0575 -16.0575 -15.9701 -15.9701 -15.9537 -15.9537 2.2315 2.2315 2.2374 2.2374 10.4546 10.4546 10.4734 10.4734 11.5850 11.5850 11.5938 11.5938 12.0792 12.0792 12.0973 12.0973 13.7928 13.7928 13.8088 13.8088 15.6067 15.6067 15.6357 15.6357 16.3458 16.3458 16.3687 16.3687 k = 0.5000 0.2090 0.1203 ( 2652 PWs) bands (ev): -40.5748 -40.5748 -40.5748 -40.5748 -18.1206 -18.1206 -18.1177 -18.1177 -16.0755 -16.0755 -16.0583 -16.0583 -15.9680 -15.9680 -15.9539 -15.9539 2.2174 2.2174 2.2225 2.2225 10.4603 10.4603 10.4766 10.4766 11.6245 11.6245 11.6324 11.6324 12.0583 12.0583 12.0742 12.0742 13.8315 13.8315 13.8462 13.8462 15.5756 15.5756 15.6012 15.6012 16.3638 16.3638 16.3835 16.3835 k = 0.5000 0.2090 0.1003 ( 2656 PWs) bands (ev): -40.5750 -40.5750 -40.5750 -40.5750 -18.1198 -18.1198 -18.1174 -18.1174 -16.0735 -16.0735 -16.0591 -16.0591 -15.9660 -15.9660 -15.9542 -15.9542 2.2054 2.2054 2.2097 2.2097 10.4655 10.4655 10.4793 10.4793 11.6624 11.6624 11.6693 11.6693 12.0357 12.0357 12.0495 12.0495 13.8668 13.8668 13.8799 13.8799 15.5484 15.5484 15.5703 15.5703 16.3798 16.3798 16.3963 16.3963 k = 0.5000 0.2090 0.0802 ( 2648 PWs) bands (ev): -40.5750 -40.5750 -40.5750 -40.5750 -18.1191 -18.1191 -18.1172 -18.1172 -16.0716 -16.0716 -16.0601 -16.0601 -15.9641 -15.9641 -15.9547 -15.9547 2.1957 2.1957 2.1991 2.1991 10.4702 10.4702 10.4812 10.4812 11.6983 11.6983 11.7043 11.7043 12.0122 12.0122 12.0238 12.0238 13.8978 13.8978 13.9089 13.9089 15.5255 15.5255 15.5434 15.5434 16.3937 16.3937 16.4070 16.4070 k = 0.5000 0.2090 0.0602 ( 2644 PWs) bands (ev): -40.5750 -40.5750 -40.5750 -40.5750 -18.1185 -18.1185 -18.1171 -18.1171 -16.0698 -16.0698 -16.0612 -16.0612 -15.9624 -15.9624 -15.9554 -15.9554 2.1882 2.1882 2.1908 2.1908 10.4741 10.4741 10.4825 10.4825 11.7313 11.7313 11.7363 11.7363 11.9888 11.9888 11.9983 11.9983 13.9234 13.9234 13.9321 13.9321 15.5075 15.5075 15.5213 15.5213 16.4052 16.4052 16.4152 16.4152 k = 0.5000 0.2090 0.0401 ( 2638 PWs) bands (ev): -40.5750 -40.5750 -40.5750 -40.5750 -18.1180 -18.1180 -18.1170 -18.1170 -16.0681 -16.0681 -16.0624 -16.0624 -15.9608 -15.9608 -15.9561 -15.9561 2.1829 2.1829 2.1847 2.1847 10.4774 10.4774 10.4830 10.4830 11.7599 11.7599 11.7639 11.7639 11.9675 11.9675 11.9745 11.9745 13.9428 13.9428 13.9489 13.9489 15.4951 15.4951 15.5044 15.5044 16.4140 16.4140 16.4207 16.4207 k = 0.5000 0.2090 0.0201 ( 2638 PWs) bands (ev): -40.5751 -40.5751 -40.5751 -40.5751 -18.1176 -18.1176 -18.1171 -18.1171 -16.0665 -16.0665 -16.0636 -16.0636 -15.9594 -15.9594 -15.9571 -15.9571 2.1799 2.1799 2.1808 2.1808 10.4800 10.4800 10.4828 10.4828 11.7812 11.7812 11.7836 11.7836 11.9518 11.9518 11.9558 11.9558 13.9554 13.9554 13.9585 13.9585 15.4884 15.4884 15.4931 15.4931 16.4201 16.4201 16.4234 16.4234 k = 0.5000 0.2090-0.0000 ( 2640 PWs) bands (ev): -40.5751 -40.5751 -40.5751 -40.5751 -18.1173 -18.1173 -18.1173 -18.1173 -16.0650 -16.0650 -16.0650 -16.0650 -15.9582 -15.9582 -15.9582 -15.9582 2.1792 2.1792 2.1792 2.1792 10.4818 10.4818 10.4818 10.4818 11.7903 11.7903 11.7903 11.7903 11.9470 11.9470 11.9470 11.9470 13.9607 13.9607 13.9607 13.9607 15.4877 15.4877 15.4877 15.4877 16.4232 16.4232 16.4232 16.4232 k = 0.0000 0.0000 1.2966 ( 2650 PWs) bands (ev): -40.5517 -40.5517 -40.5517 -40.5517 -18.2061 -18.2061 -18.1934 -18.1934 -16.2243 -16.2243 -16.1670 -16.1670 -16.0388 -16.0388 -15.9977 -15.9977 3.6228 3.6228 3.6244 3.6244 9.4377 9.4377 9.5211 9.5211 9.7870 9.7870 9.8171 9.8171 11.6214 11.6214 11.7140 11.7140 13.8806 13.8806 13.8924 13.8924 16.8982 16.8982 16.8984 16.8984 17.1454 17.1454 17.2062 17.2062 k = 0.0179 0.0075 1.2966 ( 2654 PWs) bands (ev): -40.5518 -40.5518 -40.5518 -40.5518 -18.2063 -18.2058 -18.1939 -18.1930 -16.2265 -16.2220 -16.1675 -16.1666 -16.0388 -16.0387 -15.9995 -15.9960 3.6227 3.6229 3.6242 3.6246 9.4335 9.4412 9.5196 9.5210 9.7866 9.7888 9.8158 9.8201 11.6198 11.6225 11.7100 11.7171 13.8800 13.8817 13.8902 13.8951 16.8975 16.8983 16.8983 16.8996 17.1441 17.1457 17.2026 17.2083 k = 0.0357 0.0149 1.2966 ( 2654 PWs) bands (ev): -40.5518 -40.5518 -40.5518 -40.5518 -18.2066 -18.2055 -18.1943 -18.1926 -16.2286 -16.2195 -16.1681 -16.1663 -16.0388 -16.0385 -16.0014 -15.9943 3.6226 3.6231 3.6240 3.6248 9.4285 9.4437 9.5166 9.5193 9.7875 9.7919 9.8164 9.8248 11.6176 11.6230 11.7053 11.7193 13.8797 13.8832 13.8885 13.8982 16.8969 16.8986 16.8987 16.9010 17.1421 17.1453 17.1978 17.2090 k = 0.0536 0.0224 1.2966 ( 2650 PWs) bands (ev): -40.5517 -40.5517 -40.5517 -40.5517 -18.2068 -18.2051 -18.1948 -18.1923 -16.2306 -16.2170 -16.1689 -16.1660 -16.0387 -16.0381 -16.0033 -15.9928 3.6225 3.6232 3.6238 3.6250 9.4229 9.4455 9.5125 9.5162 9.7895 9.7964 9.8187 9.8310 11.6149 11.6232 11.6999 11.7209 13.8798 13.8850 13.8873 13.9017 16.8967 16.8993 16.8993 16.9027 17.1395 17.1440 17.1918 17.2084 k = 0.0714 0.0299 1.2966 ( 2650 PWs) bands (ev): -40.5517 -40.5517 -40.5517 -40.5517 -18.2070 -18.2048 -18.1953 -18.1919 -16.2324 -16.2144 -16.1699 -16.1659 -16.0385 -16.0377 -16.0053 -15.9914 3.6224 3.6233 3.6236 3.6252 9.4169 9.4465 9.5074 9.5118 9.7925 9.8019 9.8224 9.8383 11.6118 11.6229 11.6938 11.7216 13.8803 13.8865 13.8870 13.9054 16.8967 16.9000 16.9001 16.9046 17.1363 17.1420 17.1848 17.2066 k = 0.0893 0.0373 1.2966 ( 2658 PWs) bands (ev): -40.5518 -40.5518 -40.5518 -40.5518 -18.2072 -18.2044 -18.1958 -18.1916 -16.2341 -16.2118 -16.1710 -16.1658 -16.0383 -16.0371 -16.0073 -15.9901 3.6223 3.6234 3.6234 3.6254 9.4107 9.4470 9.5018 9.5063 9.7963 9.8084 9.8271 9.8463 11.6084 11.6224 11.6872 11.7218 13.8810 13.8861 13.8893 13.9093 16.8971 16.9009 16.9011 16.9066 17.1328 17.1393 17.1770 17.2037 k = 0.1071 0.0448 1.2966 ( 2648 PWs) bands (ev): -40.5517 -40.5517 -40.5517 -40.5517 -18.2074 -18.2040 -18.1963 -18.1913 -16.2356 -16.2091 -16.1722 -16.1658 -16.0381 -16.0363 -16.0094 -15.9889 3.6222 3.6232 3.6235 3.6256 9.4044 9.4471 9.4960 9.5002 9.8005 9.8154 9.8325 9.8547 11.6048 11.6218 11.6802 11.7215 13.8820 13.8861 13.8917 13.9133 16.8977 16.9019 16.9023 16.9088 17.1290 17.1362 17.1688 17.2001 k = 0.1250 0.0522 1.2966 ( 2650 PWs) bands (ev): -40.5517 -40.5517 -40.5517 -40.5517 -18.2076 -18.2036 -18.1968 -18.1911 -16.2370 -16.2064 -16.1737 -16.1658 -16.0379 -16.0354 -16.0115 -15.9879 3.6222 3.6230 3.6236 3.6257 9.3985 9.4470 9.4901 9.4937 9.8050 9.8227 9.8381 9.8630 11.6011 11.6212 11.6730 11.7208 13.8831 13.8864 13.8942 13.9172 16.8986 16.9029 16.9036 16.9110 17.1253 17.1327 17.1603 17.1959 k = 0.1429 0.0597 1.2966 ( 2644 PWs) bands (ev): -40.5516 -40.5516 -40.5516 -40.5516 -18.2077 -18.2032 -18.1973 -18.1908 -16.2382 -16.2037 -16.1752 -16.1659 -16.0376 -16.0344 -16.0136 -15.9869 3.6221 3.6228 3.6237 3.6259 9.3929 9.4470 9.4846 9.4871 9.8094 9.8300 9.8436 9.8710 11.5974 11.6208 11.6658 11.7198 13.8843 13.8868 13.8965 13.9209 16.8997 16.9040 16.9050 16.9132 17.1218 17.1290 17.1519 17.1914 k = 0.1607 0.0672 1.2966 ( 2640 PWs) bands (ev): -40.5516 -40.5516 -40.5516 -40.5516 -18.2078 -18.2027 -18.1978 -18.1906 -16.2392 -16.2009 -16.1770 -16.1659 -16.0374 -16.0332 -16.0156 -15.9861 3.6221 3.6227 3.6238 3.6260 9.3878 9.4471 9.4795 9.4806 9.8135 9.8369 9.8486 9.8783 11.5940 11.6208 11.6587 11.7187 13.8855 13.8874 13.8987 13.9243 16.9009 16.9049 16.9064 16.9153 17.1187 17.1255 17.1439 17.1870 k = 0.1786 0.0746 1.2966 ( 2644 PWs) bands (ev): -40.5516 -40.5516 -40.5516 -40.5516 -18.2079 -18.2023 -18.1983 -18.1905 -16.2400 -16.1982 -16.1789 -16.1660 -16.0372 -16.0319 -16.0177 -15.9855 3.6221 3.6226 3.6239 3.6261 9.3835 9.4476 9.4744 9.4751 9.8172 9.8432 9.8528 9.8846 11.5910 11.6213 11.6518 11.7176 13.8865 13.8880 13.9007 13.9272 16.9022 16.9057 16.9076 16.9172 17.1163 17.1222 17.1364 17.1829 k = 0.1964 0.0821 1.2966 ( 2644 PWs) bands (ev): -40.5516 -40.5516 -40.5516 -40.5516 -18.2080 -18.2018 -18.1988 -18.1903 -16.2407 -16.1955 -16.1809 -16.1660 -16.0371 -16.0305 -16.0197 -15.9850 3.6221 3.6224 3.6239 3.6262 9.3801 9.4486 9.4687 9.4716 9.8203 9.8487 9.8561 9.8898 11.5885 11.6224 11.6455 11.7167 13.8875 13.8885 13.9023 13.9296 16.9034 16.9062 16.9087 16.9187 17.1147 17.1194 17.1298 17.1794 k = 0.2143 0.0896 1.2966 ( 2648 PWs) bands (ev): -40.5517 -40.5517 -40.5517 -40.5517 -18.2080 -18.2014 -18.1994 -18.1903 -16.2412 -16.1929 -16.1831 -16.1660 -16.0370 -16.0290 -16.0217 -15.9846 3.6221 3.6223 3.6239 3.6263 9.3775 9.4502 9.4635 9.4690 9.8225 9.8532 9.8582 9.8936 11.5867 11.6242 11.6397 11.7159 13.8882 13.8889 13.9035 13.9314 16.9045 16.9065 16.9096 16.9199 17.1142 17.1173 17.1242 17.1767 k = 0.2321 0.0970 1.2966 ( 2648 PWs) bands (ev): -40.5517 -40.5517 -40.5517 -40.5517 -18.2080 -18.2009 -18.1999 -18.1902 -16.2415 -16.1903 -16.1854 -16.1661 -16.0369 -16.0273 -16.0236 -15.9844 3.6221 3.6223 3.6240 3.6263 9.3760 9.4524 9.4591 9.4674 9.8239 9.8564 9.8589 9.8959 11.5855 11.6268 11.6346 11.7154 13.8888 13.8891 13.9042 13.9324 16.9054 16.9064 16.9101 16.9207 17.1148 17.1159 17.1198 17.1750 k = 0.2500 0.1045 1.2966 ( 2652 PWs) bands (ev): -40.5517 -40.5517 -40.5517 -40.5517 -18.2081 -18.2004 -18.2004 -18.1902 -16.2416 -16.1878 -16.1878 -16.1661 -16.0369 -16.0255 -16.0255 -15.9843 3.6222 3.6222 3.6240 3.6263 9.3754 9.4554 9.4554 9.4669 9.8244 9.8584 9.8584 9.8967 11.5851 11.6303 11.6303 11.7152 13.8890 13.8890 13.9045 13.9328 16.9061 16.9061 16.9103 16.9209 17.1154 17.1166 17.1166 17.1744 Writing output data file NbAs.save init_run : 2.80s CPU 12.85s WALL ( 1 calls) electrons : 618.70s CPU 625.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.20s CPU 1.52s WALL ( 1 calls) Called by electrons: c_bands : 618.68s CPU 625.57s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.97s WALL ( 1 calls) v_h : 0.01s CPU 0.11s WALL ( 1 calls) v_xc : 0.06s CPU 0.59s WALL ( 1 calls) newd : 0.29s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.05s WALL ( 392 calls) cegterg : 514.45s CPU 517.26s WALL ( 707 calls) Called by sum_band: Called by *egterg: h_psi : 358.08s CPU 364.19s WALL ( 10246 calls) s_psi : 13.93s CPU 14.45s WALL ( 10246 calls) g_psi : 0.27s CPU 0.34s WALL ( 9147 calls) cdiaghg : 124.77s CPU 123.26s WALL ( 9539 calls) cegterg:over : 30.38s CPU 27.46s WALL ( 9147 calls) cegterg:upda : 3.46s CPU 5.82s WALL ( 9147 calls) cegterg:last : 3.60s CPU 4.32s WALL ( 1883 calls) Called by h_psi: h_psi:vloc : 328.96s CPU 334.08s WALL ( 10246 calls) h_psi:vnl : 29.00s CPU 29.53s WALL ( 10246 calls) add_vuspsi : 7.58s CPU 10.80s WALL ( 10246 calls) General routines calbec : 21.38s CPU 18.63s WALL ( 10246 calls) fft : 0.12s CPU 1.04s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 306.96s CPU 313.66s WALL ( 1041120 calls) interpolate : 0.02s CPU 0.08s WALL ( 4 calls) davcio : 0.03s CPU 2.65s WALL ( 784 calls) Parallel routines fft_scatter : 168.41s CPU 159.65s WALL ( 1041143 calls) PWSCF : 11m19.88s CPU 14m 4.48s WALL This run was terminated on: 0:10:27 24Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=