Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 1:14 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./SnF4.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 57 35 10 1165 573 94 Max 58 36 11 1167 591 96 Sum 2053 1289 387 41975 20961 3427 bravais-lattice index = 14 lattice parameter (alat) = 9.2428 a.u. unit-cell volume = 438.8840 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.242765 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.657174 celldm(5)= -0.657174 celldm(6)= 0.314348 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.314348 0.949308 0.000000 ) a(3) = ( -0.657174 -0.474654 0.585514 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.331134 0.853951 ) b(2) = ( 0.000000 1.053399 0.853951 ) b(3) = ( 0.000000 0.000000 1.707902 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Sn 14.00 118.71000 Sn( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 376 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 2) = ( 0.0000000 0.0000000 0.0155264), wk = 0.0026596 k( 3) = ( 0.0000000 0.0000000 0.0310528), wk = 0.0026596 k( 4) = ( 0.0000000 0.0000000 0.0465792), wk = 0.0026596 k( 5) = ( 0.0000000 0.0000000 0.0621055), wk = 0.0026596 k( 6) = ( 0.0000000 0.0000000 0.0776319), wk = 0.0026596 k( 7) = ( 0.0000000 0.0000000 0.0931583), wk = 0.0026596 k( 8) = ( 0.0000000 0.0000000 0.1086847), wk = 0.0026596 k( 9) = ( 0.0000000 0.0000000 0.1242111), wk = 0.0026596 k( 10) = ( 0.0000000 0.0000000 0.1397375), wk = 0.0026596 k( 11) = ( 0.0000000 0.0000000 0.1552638), wk = 0.0026596 k( 12) = ( 0.0000000 0.0000000 0.1707902), wk = 0.0026596 k( 13) = ( 0.0000000 0.0000000 0.1863166), wk = 0.0026596 k( 14) = ( 0.0000000 0.0000000 0.2018430), wk = 0.0026596 k( 15) = ( 0.0000000 0.0000000 0.2173694), wk = 0.0026596 k( 16) = ( 0.0000000 0.0000000 0.2328958), wk = 0.0026596 k( 17) = ( 0.0000000 0.0000000 0.2484222), wk = 0.0026596 k( 18) = ( 0.0000000 0.0000000 0.2639485), wk = 0.0026596 k( 19) = ( 0.0000000 0.0000000 0.2794749), wk = 0.0026596 k( 20) = ( 0.0000000 0.0000000 0.2950013), wk = 0.0026596 k( 21) = ( 0.0000000 0.0000000 0.3105277), wk = 0.0026596 k( 22) = ( 0.0000000 0.0000000 0.3260541), wk = 0.0026596 k( 23) = ( 0.0000000 0.0000000 0.3415805), wk = 0.0026596 k( 24) = ( 0.0000000 0.0000000 0.3571069), wk = 0.0026596 k( 25) = ( 0.0000000 0.0000000 0.3726332), wk = 0.0026596 k( 26) = ( 0.0000000 0.0000000 0.3881596), wk = 0.0026596 k( 27) = ( 0.0000000 0.0000000 0.4036860), wk = 0.0026596 k( 28) = ( 0.0000000 0.0000000 0.4192124), wk = 0.0026596 k( 29) = ( 0.0000000 0.0000000 0.4347388), wk = 0.0026596 k( 30) = ( 0.0000000 0.0000000 0.4502652), wk = 0.0026596 k( 31) = ( 0.0000000 0.0000000 0.4657915), wk = 0.0026596 k( 32) = ( 0.0000000 0.0000000 0.4813179), wk = 0.0026596 k( 33) = ( 0.0000000 0.0000000 0.4968443), wk = 0.0026596 k( 34) = ( 0.0000000 0.0000000 0.5123707), wk = 0.0026596 k( 35) = ( 0.0000000 0.0000000 0.5278971), wk = 0.0026596 k( 36) = ( 0.0000000 0.0000000 0.5434235), wk = 0.0026596 k( 37) = ( 0.0000000 0.0000000 0.5589499), wk = 0.0026596 k( 38) = ( 0.0000000 0.0000000 0.5744762), wk = 0.0026596 k( 39) = ( 0.0000000 0.0000000 0.5900026), wk = 0.0026596 k( 40) = ( 0.0000000 0.0000000 0.6055290), wk = 0.0026596 k( 41) = ( 0.0000000 0.0000000 0.6210554), wk = 0.0026596 k( 42) = ( 0.0000000 0.0000000 0.6365818), wk = 0.0026596 k( 43) = ( 0.0000000 0.0000000 0.6521082), wk = 0.0026596 k( 44) = ( 0.0000000 0.0000000 0.6676345), wk = 0.0026596 k( 45) = ( 0.0000000 0.0000000 0.6831609), wk = 0.0026596 k( 46) = ( 0.0000000 0.0000000 0.6986873), wk = 0.0026596 k( 47) = ( 0.0000000 0.0000000 0.7142137), wk = 0.0026596 k( 48) = ( 0.0000000 0.0000000 0.7297401), wk = 0.0026596 k( 49) = ( 0.0000000 0.0000000 0.7452665), wk = 0.0026596 k( 50) = ( 0.0000000 0.0000000 0.7607929), wk = 0.0026596 k( 51) = ( 0.0000000 0.0000000 0.7763192), wk = 0.0026596 k( 52) = ( 0.0000000 0.0000000 0.7918456), wk = 0.0026596 k( 53) = ( 0.0000000 0.0000000 0.8073720), wk = 0.0026596 k( 54) = ( 0.0000000 0.0000000 0.8228984), wk = 0.0026596 k( 55) = ( 0.0000000 0.0000000 0.8384248), wk = 0.0026596 k( 56) = ( 0.0000000 0.0000000 0.8539512), wk = 0.0026596 k( 57) = ( 0.0000000 0.0000000 0.8539512), wk = 0.0026596 k( 58) = ( -0.0086945 0.0120378 0.8539512), wk = 0.0026596 k( 59) = ( -0.0173889 0.0240755 0.8539512), wk = 0.0026596 k( 60) = ( -0.0260834 0.0361133 0.8539512), wk = 0.0026596 k( 61) = ( -0.0347778 0.0481510 0.8539512), wk = 0.0026596 k( 62) = ( -0.0434723 0.0601888 0.8539512), wk = 0.0026596 k( 63) = ( -0.0521667 0.0722265 0.8539512), wk = 0.0026596 k( 64) = ( -0.0608612 0.0842643 0.8539512), wk = 0.0026596 k( 65) = ( -0.0695556 0.0963021 0.8539512), wk = 0.0026596 k( 66) = ( -0.0782501 0.1083398 0.8539512), wk = 0.0026596 k( 67) = ( -0.0869446 0.1203776 0.8539512), wk = 0.0026596 k( 68) = ( -0.0956390 0.1324153 0.8539512), wk = 0.0026596 k( 69) = ( -0.1043335 0.1444531 0.8539512), wk = 0.0026596 k( 70) = ( -0.1130279 0.1564908 0.8539512), wk = 0.0026596 k( 71) = ( -0.1217224 0.1685286 0.8539512), wk = 0.0026596 k( 72) = ( -0.1304168 0.1805664 0.8539512), wk = 0.0026596 k( 73) = ( -0.1304168 0.1805664 0.8539512), wk = 0.0026596 k( 74) = ( -0.1367890 0.1893888 0.8430682), wk = 0.0026596 k( 75) = ( -0.1431611 0.1982112 0.8321852), wk = 0.0026596 k( 76) = ( -0.1495332 0.2070336 0.8213023), wk = 0.0026596 k( 77) = ( -0.1559053 0.2158560 0.8104193), wk = 0.0026596 k( 78) = ( -0.1622775 0.2246784 0.7995363), wk = 0.0026596 k( 79) = ( -0.1686496 0.2335008 0.7886534), wk = 0.0026596 k( 80) = ( -0.1750217 0.2423232 0.7777704), wk = 0.0026596 k( 81) = ( -0.1813938 0.2511457 0.7668874), wk = 0.0026596 k( 82) = ( -0.1877659 0.2599681 0.7560045), wk = 0.0026596 k( 83) = ( -0.1941381 0.2687905 0.7451215), wk = 0.0026596 k( 84) = ( -0.2005102 0.2776129 0.7342385), wk = 0.0026596 k( 85) = ( -0.2068823 0.2864353 0.7233556), wk = 0.0026596 k( 86) = ( -0.2132545 0.2952577 0.7124726), wk = 0.0026596 k( 87) = ( -0.2196266 0.3040801 0.7015897), wk = 0.0026596 k( 88) = ( -0.2259987 0.3129025 0.6907067), wk = 0.0026596 k( 89) = ( -0.2323708 0.3217250 0.6798237), wk = 0.0026596 k( 90) = ( -0.2387429 0.3305474 0.6689408), wk = 0.0026596 k( 91) = ( -0.2451151 0.3393698 0.6580578), wk = 0.0026596 k( 92) = ( -0.2514872 0.3481922 0.6471748), wk = 0.0026596 k( 93) = ( -0.2578593 0.3570146 0.6362919), wk = 0.0026596 k( 94) = ( -0.2642314 0.3658370 0.6254089), wk = 0.0026596 k( 95) = ( -0.2706036 0.3746594 0.6145259), wk = 0.0026596 k( 96) = ( -0.2769757 0.3834818 0.6036430), wk = 0.0026596 k( 97) = ( -0.2833478 0.3923042 0.5927600), wk = 0.0026596 k( 98) = ( -0.2897199 0.4011267 0.5818770), wk = 0.0026596 k( 99) = ( -0.2960920 0.4099491 0.5709941), wk = 0.0026596 k( 100) = ( -0.3024642 0.4187715 0.5601111), wk = 0.0026596 k( 101) = ( -0.3088363 0.4275939 0.5492282), wk = 0.0026596 k( 102) = ( -0.3152084 0.4364163 0.5383452), wk = 0.0026596 k( 103) = ( -0.3152084 0.4364163 0.5383452), wk = 0.0026596 k( 104) = ( -0.3087756 0.4275099 0.5273586), wk = 0.0026596 k( 105) = ( -0.3023428 0.4186034 0.5163719), wk = 0.0026596 k( 106) = ( -0.2959099 0.4096970 0.5053853), wk = 0.0026596 k( 107) = ( -0.2894771 0.4007905 0.4943986), wk = 0.0026596 k( 108) = ( -0.2830443 0.3918840 0.4834120), wk = 0.0026596 k( 109) = ( -0.2766115 0.3829776 0.4724254), wk = 0.0026596 k( 110) = ( -0.2701787 0.3740711 0.4614387), wk = 0.0026596 k( 111) = ( -0.2637458 0.3651647 0.4504521), wk = 0.0026596 k( 112) = ( -0.2573130 0.3562582 0.4394655), wk = 0.0026596 k( 113) = ( -0.2508802 0.3473518 0.4284788), wk = 0.0026596 k( 114) = ( -0.2444474 0.3384453 0.4174922), wk = 0.0026596 k( 115) = ( -0.2380145 0.3295388 0.4065056), wk = 0.0026596 k( 116) = ( -0.2315817 0.3206324 0.3955189), wk = 0.0026596 k( 117) = ( -0.2251489 0.3117259 0.3845323), wk = 0.0026596 k( 118) = ( -0.2187160 0.3028195 0.3735456), wk = 0.0026596 k( 119) = ( -0.2122832 0.2939130 0.3625590), wk = 0.0026596 k( 120) = ( -0.2058504 0.2850066 0.3515724), wk = 0.0026596 k( 121) = ( -0.1994176 0.2761001 0.3405857), wk = 0.0026596 k( 122) = ( -0.1929848 0.2671937 0.3295991), wk = 0.0026596 k( 123) = ( -0.1865519 0.2582872 0.3186125), wk = 0.0026596 k( 124) = ( -0.1801191 0.2493808 0.3076258), wk = 0.0026596 k( 125) = ( -0.1736863 0.2404743 0.2966392), wk = 0.0026596 k( 126) = ( -0.1672534 0.2315678 0.2856526), wk = 0.0026596 k( 127) = ( -0.1608206 0.2226614 0.2746659), wk = 0.0026596 k( 128) = ( -0.1543878 0.2137549 0.2636793), wk = 0.0026596 k( 129) = ( -0.1479550 0.2048485 0.2526926), wk = 0.0026596 k( 130) = ( -0.1415222 0.1959420 0.2417060), wk = 0.0026596 k( 131) = ( -0.1350893 0.1870356 0.2307194), wk = 0.0026596 k( 132) = ( -0.1286565 0.1781291 0.2197327), wk = 0.0026596 k( 133) = ( -0.1222237 0.1692226 0.2087461), wk = 0.0026596 k( 134) = ( -0.1157909 0.1603162 0.1977595), wk = 0.0026596 k( 135) = ( -0.1093580 0.1514097 0.1867728), wk = 0.0026596 k( 136) = ( -0.1029252 0.1425033 0.1757862), wk = 0.0026596 k( 137) = ( -0.0964924 0.1335968 0.1647995), wk = 0.0026596 k( 138) = ( -0.0900596 0.1246904 0.1538129), wk = 0.0026596 k( 139) = ( -0.0836267 0.1157839 0.1428263), wk = 0.0026596 k( 140) = ( -0.0771939 0.1068775 0.1318396), wk = 0.0026596 k( 141) = ( -0.0707611 0.0979710 0.1208530), wk = 0.0026596 k( 142) = ( -0.0643283 0.0890646 0.1098664), wk = 0.0026596 k( 143) = ( -0.0578954 0.0801581 0.0988797), wk = 0.0026596 k( 144) = ( -0.0514626 0.0712516 0.0878931), wk = 0.0026596 k( 145) = ( -0.0450298 0.0623452 0.0769064), wk = 0.0026596 k( 146) = ( -0.0385969 0.0534387 0.0659198), wk = 0.0026596 k( 147) = ( -0.0321641 0.0445323 0.0549332), wk = 0.0026596 k( 148) = ( -0.0257313 0.0356258 0.0439465), wk = 0.0026596 k( 149) = ( -0.0192985 0.0267194 0.0329599), wk = 0.0026596 k( 150) = ( -0.0128656 0.0178129 0.0219733), wk = 0.0026596 k( 151) = ( -0.0064328 0.0089064 0.0109866), wk = 0.0026596 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 154) = ( 0.0125000 0.0090283 0.0000000), wk = 0.0026596 k( 155) = ( 0.0250000 0.0180566 0.0000000), wk = 0.0026596 k( 156) = ( 0.0375000 0.0270850 0.0000000), wk = 0.0026596 k( 157) = ( 0.0500000 0.0361133 0.0000000), wk = 0.0026596 k( 158) = ( 0.0625000 0.0451416 0.0000000), wk = 0.0026596 k( 159) = ( 0.0750000 0.0541699 0.0000000), wk = 0.0026596 k( 160) = ( 0.0875000 0.0631982 0.0000000), wk = 0.0026596 k( 161) = ( 0.1000000 0.0722265 0.0000000), wk = 0.0026596 k( 162) = ( 0.1125000 0.0812549 0.0000000), wk = 0.0026596 k( 163) = ( 0.1250000 0.0902832 0.0000000), wk = 0.0026596 k( 164) = ( 0.1375000 0.0993115 0.0000000), wk = 0.0026596 k( 165) = ( 0.1500000 0.1083398 0.0000000), wk = 0.0026596 k( 166) = ( 0.1625000 0.1173681 0.0000000), wk = 0.0026596 k( 167) = ( 0.1750000 0.1263965 0.0000000), wk = 0.0026596 k( 168) = ( 0.1875000 0.1354248 0.0000000), wk = 0.0026596 k( 169) = ( 0.2000000 0.1444531 0.0000000), wk = 0.0026596 k( 170) = ( 0.2125000 0.1534814 0.0000000), wk = 0.0026596 k( 171) = ( 0.2250000 0.1625097 0.0000000), wk = 0.0026596 k( 172) = ( 0.2375000 0.1715380 0.0000000), wk = 0.0026596 k( 173) = ( 0.2500000 0.1805664 0.0000000), wk = 0.0026596 k( 174) = ( 0.2625000 0.1895947 0.0000000), wk = 0.0026596 k( 175) = ( 0.2750000 0.1986230 0.0000000), wk = 0.0026596 k( 176) = ( 0.2875000 0.2076513 0.0000000), wk = 0.0026596 k( 177) = ( 0.3000000 0.2166796 0.0000000), wk = 0.0026596 k( 178) = ( 0.3125000 0.2257079 0.0000000), wk = 0.0026596 k( 179) = ( 0.3250000 0.2347363 0.0000000), wk = 0.0026596 k( 180) = ( 0.3375000 0.2437646 0.0000000), wk = 0.0026596 k( 181) = ( 0.3500000 0.2527929 0.0000000), wk = 0.0026596 k( 182) = ( 0.3625000 0.2618212 0.0000000), wk = 0.0026596 k( 183) = ( 0.3750000 0.2708495 0.0000000), wk = 0.0026596 k( 184) = ( 0.3875000 0.2798779 0.0000000), wk = 0.0026596 k( 185) = ( 0.4000000 0.2889062 0.0000000), wk = 0.0026596 k( 186) = ( 0.4125000 0.2979345 0.0000000), wk = 0.0026596 k( 187) = ( 0.4250000 0.3069628 0.0000000), wk = 0.0026596 k( 188) = ( 0.4375000 0.3159911 0.0000000), wk = 0.0026596 k( 189) = ( 0.4500000 0.3250194 0.0000000), wk = 0.0026596 k( 190) = ( 0.4625000 0.3340478 0.0000000), wk = 0.0026596 k( 191) = ( 0.4750000 0.3430761 0.0000000), wk = 0.0026596 k( 192) = ( 0.4875000 0.3521044 0.0000000), wk = 0.0026596 k( 193) = ( 0.5000000 0.3611327 0.0000000), wk = 0.0026596 k( 194) = ( 0.5000000 0.3611327 0.0000000), wk = 0.0026596 k( 195) = ( 0.4936279 0.3699551 0.0108830), wk = 0.0026596 k( 196) = ( 0.4872557 0.3787775 0.0217659), wk = 0.0026596 k( 197) = ( 0.4808836 0.3876000 0.0326489), wk = 0.0026596 k( 198) = ( 0.4745115 0.3964224 0.0435319), wk = 0.0026596 k( 199) = ( 0.4681394 0.4052448 0.0544148), wk = 0.0026596 k( 200) = ( 0.4617673 0.4140672 0.0652978), wk = 0.0026596 k( 201) = ( 0.4553951 0.4228896 0.0761807), wk = 0.0026596 k( 202) = ( 0.4490230 0.4317120 0.0870637), wk = 0.0026596 k( 203) = ( 0.4426509 0.4405344 0.0979467), wk = 0.0026596 k( 204) = ( 0.4362788 0.4493568 0.1088296), wk = 0.0026596 k( 205) = ( 0.4299066 0.4581793 0.1197126), wk = 0.0026596 k( 206) = ( 0.4235345 0.4670017 0.1305956), wk = 0.0026596 k( 207) = ( 0.4171624 0.4758241 0.1414785), wk = 0.0026596 k( 208) = ( 0.4107903 0.4846465 0.1523615), wk = 0.0026596 k( 209) = ( 0.4044181 0.4934689 0.1632445), wk = 0.0026596 k( 210) = ( 0.3980460 0.5022913 0.1741274), wk = 0.0026596 k( 211) = ( 0.3916739 0.5111137 0.1850104), wk = 0.0026596 k( 212) = ( 0.3853018 0.5199361 0.1958934), wk = 0.0026596 k( 213) = ( 0.3789297 0.5287586 0.2067763), wk = 0.0026596 k( 214) = ( 0.3725575 0.5375810 0.2176593), wk = 0.0026596 k( 215) = ( 0.3661854 0.5464034 0.2285422), wk = 0.0026596 k( 216) = ( 0.3598133 0.5552258 0.2394252), wk = 0.0026596 k( 217) = ( 0.3534412 0.5640482 0.2503082), wk = 0.0026596 k( 218) = ( 0.3470690 0.5728706 0.2611911), wk = 0.0026596 k( 219) = ( 0.3406969 0.5816930 0.2720741), wk = 0.0026596 k( 220) = ( 0.3343248 0.5905154 0.2829571), wk = 0.0026596 k( 221) = ( 0.3279527 0.5993378 0.2938400), wk = 0.0026596 k( 222) = ( 0.3215805 0.6081603 0.3047230), wk = 0.0026596 k( 223) = ( 0.3152084 0.6169827 0.3156060), wk = 0.0026596 k( 224) = ( 0.3152084 0.6169827 0.3156060), wk = 0.0026596 k( 225) = ( 0.3015037 0.6130573 0.3204481), wk = 0.0026596 k( 226) = ( 0.2877990 0.6091320 0.3252903), wk = 0.0026596 k( 227) = ( 0.2740943 0.6052066 0.3301324), wk = 0.0026596 k( 228) = ( 0.2603896 0.6012812 0.3349746), wk = 0.0026596 k( 229) = ( 0.2466849 0.5973559 0.3398168), wk = 0.0026596 k( 230) = ( 0.2329801 0.5934305 0.3446589), wk = 0.0026596 k( 231) = ( 0.2192754 0.5895052 0.3495011), wk = 0.0026596 k( 232) = ( 0.2055707 0.5855798 0.3543432), wk = 0.0026596 k( 233) = ( 0.1918660 0.5816545 0.3591854), wk = 0.0026596 k( 234) = ( 0.1781613 0.5777291 0.3640275), wk = 0.0026596 k( 235) = ( 0.1644566 0.5738038 0.3688697), wk = 0.0026596 k( 236) = ( 0.1507518 0.5698784 0.3737119), wk = 0.0026596 k( 237) = ( 0.1370471 0.5659531 0.3785540), wk = 0.0026596 k( 238) = ( 0.1233424 0.5620277 0.3833962), wk = 0.0026596 k( 239) = ( 0.1096377 0.5581023 0.3882383), wk = 0.0026596 k( 240) = ( 0.0959330 0.5541770 0.3930805), wk = 0.0026596 k( 241) = ( 0.0822283 0.5502516 0.3979226), wk = 0.0026596 k( 242) = ( 0.0685236 0.5463263 0.4027648), wk = 0.0026596 k( 243) = ( 0.0548189 0.5424009 0.4076070), wk = 0.0026596 k( 244) = ( 0.0411141 0.5384756 0.4124491), wk = 0.0026596 k( 245) = ( 0.0274094 0.5345502 0.4172913), wk = 0.0026596 k( 246) = ( 0.0137047 0.5306249 0.4221334), wk = 0.0026596 k( 247) = ( 0.0000000 0.5266995 0.4269756), wk = 0.0026596 k( 248) = ( 0.0000000 0.5266995 0.4269756), wk = 0.0026596 k( 249) = ( 0.0064103 0.5178243 0.4379237), wk = 0.0026596 k( 250) = ( 0.0128205 0.5089491 0.4488718), wk = 0.0026596 k( 251) = ( 0.0192308 0.5000739 0.4598199), wk = 0.0026596 k( 252) = ( 0.0256410 0.4911987 0.4707680), wk = 0.0026596 k( 253) = ( 0.0320513 0.4823235 0.4817160), wk = 0.0026596 k( 254) = ( 0.0384615 0.4734482 0.4926641), wk = 0.0026596 k( 255) = ( 0.0448718 0.4645730 0.5036122), wk = 0.0026596 k( 256) = ( 0.0512821 0.4556978 0.5145603), wk = 0.0026596 k( 257) = ( 0.0576923 0.4468226 0.5255084), wk = 0.0026596 k( 258) = ( 0.0641026 0.4379474 0.5364565), wk = 0.0026596 k( 259) = ( 0.0705128 0.4290722 0.5474046), wk = 0.0026596 k( 260) = ( 0.0769231 0.4201970 0.5583527), wk = 0.0026596 k( 261) = ( 0.0833333 0.4113218 0.5693008), wk = 0.0026596 k( 262) = ( 0.0897436 0.4024466 0.5802489), wk = 0.0026596 k( 263) = ( 0.0961538 0.3935714 0.5911970), wk = 0.0026596 k( 264) = ( 0.1025641 0.3846962 0.6021450), wk = 0.0026596 k( 265) = ( 0.1089744 0.3758209 0.6130931), wk = 0.0026596 k( 266) = ( 0.1153846 0.3669457 0.6240412), wk = 0.0026596 k( 267) = ( 0.1217949 0.3580705 0.6349893), wk = 0.0026596 k( 268) = ( 0.1282051 0.3491953 0.6459374), wk = 0.0026596 k( 269) = ( 0.1346154 0.3403201 0.6568855), wk = 0.0026596 k( 270) = ( 0.1410256 0.3314449 0.6678336), wk = 0.0026596 k( 271) = ( 0.1474359 0.3225697 0.6787817), wk = 0.0026596 k( 272) = ( 0.1538461 0.3136945 0.6897298), wk = 0.0026596 k( 273) = ( 0.1602564 0.3048193 0.7006779), wk = 0.0026596 k( 274) = ( 0.1666667 0.2959441 0.7116260), wk = 0.0026596 k( 275) = ( 0.1730769 0.2870689 0.7225741), wk = 0.0026596 k( 276) = ( 0.1794872 0.2781937 0.7335222), wk = 0.0026596 k( 277) = ( 0.1858974 0.2693184 0.7444703), wk = 0.0026596 k( 278) = ( 0.1923077 0.2604432 0.7554183), wk = 0.0026596 k( 279) = ( 0.1987180 0.2515680 0.7663664), wk = 0.0026596 k( 280) = ( 0.2051282 0.2426928 0.7773145), wk = 0.0026596 k( 281) = ( 0.2115385 0.2338176 0.7882626), wk = 0.0026596 k( 282) = ( 0.2179487 0.2249424 0.7992107), wk = 0.0026596 k( 283) = ( 0.2243590 0.2160672 0.8101588), wk = 0.0026596 k( 284) = ( 0.2307692 0.2071920 0.8211069), wk = 0.0026596 k( 285) = ( 0.2371795 0.1983168 0.8320550), wk = 0.0026596 k( 286) = ( 0.2435897 0.1894416 0.8430031), wk = 0.0026596 k( 287) = ( 0.2500000 0.1805664 0.8539512), wk = 0.0026596 k( 288) = ( 0.2500000 0.1805664 0.8539512), wk = 0.0026596 k( 289) = ( 0.2600000 0.1877890 0.8450416), wk = 0.0026596 k( 290) = ( 0.2700000 0.1950117 0.8361320), wk = 0.0026596 k( 291) = ( 0.2800000 0.2022343 0.8272225), wk = 0.0026596 k( 292) = ( 0.2900000 0.2094570 0.8183129), wk = 0.0026596 k( 293) = ( 0.3000000 0.2166796 0.8094033), wk = 0.0026596 k( 294) = ( 0.3100000 0.2239023 0.8004938), wk = 0.0026596 k( 295) = ( 0.3200000 0.2311249 0.7915842), wk = 0.0026596 k( 296) = ( 0.3300000 0.2383476 0.7826746), wk = 0.0026596 k( 297) = ( 0.3400000 0.2455702 0.7737650), wk = 0.0026596 k( 298) = ( 0.3500000 0.2527929 0.7648555), wk = 0.0026596 k( 299) = ( 0.3600000 0.2600156 0.7559459), wk = 0.0026596 k( 300) = ( 0.3700000 0.2672382 0.7470363), wk = 0.0026596 k( 301) = ( 0.3800000 0.2744609 0.7381268), wk = 0.0026596 k( 302) = ( 0.3900000 0.2816835 0.7292172), wk = 0.0026596 k( 303) = ( 0.4000000 0.2889062 0.7203076), wk = 0.0026596 k( 304) = ( 0.4100000 0.2961288 0.7113981), wk = 0.0026596 k( 305) = ( 0.4200000 0.3033515 0.7024885), wk = 0.0026596 k( 306) = ( 0.4300000 0.3105741 0.6935789), wk = 0.0026596 k( 307) = ( 0.4400000 0.3177968 0.6846693), wk = 0.0026596 k( 308) = ( 0.4500000 0.3250194 0.6757598), wk = 0.0026596 k( 309) = ( 0.4600000 0.3322421 0.6668502), wk = 0.0026596 k( 310) = ( 0.4700000 0.3394648 0.6579406), wk = 0.0026596 k( 311) = ( 0.4800000 0.3466874 0.6490311), wk = 0.0026596 k( 312) = ( 0.4900000 0.3539101 0.6401215), wk = 0.0026596 k( 313) = ( 0.5000000 0.3611327 0.6312119), wk = 0.0026596 k( 314) = ( 0.5000000 0.3611327 0.6312119), wk = 0.0026596 k( 315) = ( 0.5000000 0.3611327 0.6158165), wk = 0.0026596 k( 316) = ( 0.5000000 0.3611327 0.6004211), wk = 0.0026596 k( 317) = ( 0.5000000 0.3611327 0.5850257), wk = 0.0026596 k( 318) = ( 0.5000000 0.3611327 0.5696303), wk = 0.0026596 k( 319) = ( 0.5000000 0.3611327 0.5542349), wk = 0.0026596 k( 320) = ( 0.5000000 0.3611327 0.5388395), wk = 0.0026596 k( 321) = ( 0.5000000 0.3611327 0.5234441), wk = 0.0026596 k( 322) = ( 0.5000000 0.3611327 0.5080486), wk = 0.0026596 k( 323) = ( 0.5000000 0.3611327 0.4926532), wk = 0.0026596 k( 324) = ( 0.5000000 0.3611327 0.4772578), wk = 0.0026596 k( 325) = ( 0.5000000 0.3611327 0.4618624), wk = 0.0026596 k( 326) = ( 0.5000000 0.3611327 0.4464670), wk = 0.0026596 k( 327) = ( 0.5000000 0.3611327 0.4310716), wk = 0.0026596 k( 328) = ( 0.5000000 0.3611327 0.4156762), wk = 0.0026596 k( 329) = ( 0.5000000 0.3611327 0.4002807), wk = 0.0026596 k( 330) = ( 0.5000000 0.3611327 0.3848853), wk = 0.0026596 k( 331) = ( 0.5000000 0.3611327 0.3694899), wk = 0.0026596 k( 332) = ( 0.5000000 0.3611327 0.3540945), wk = 0.0026596 k( 333) = ( 0.5000000 0.3611327 0.3386991), wk = 0.0026596 k( 334) = ( 0.5000000 0.3611327 0.3233037), wk = 0.0026596 k( 335) = ( 0.5000000 0.3611327 0.3079083), wk = 0.0026596 k( 336) = ( 0.5000000 0.3611327 0.2925128), wk = 0.0026596 k( 337) = ( 0.5000000 0.3611327 0.2771174), wk = 0.0026596 k( 338) = ( 0.5000000 0.3611327 0.2617220), wk = 0.0026596 k( 339) = ( 0.5000000 0.3611327 0.2463266), wk = 0.0026596 k( 340) = ( 0.5000000 0.3611327 0.2309312), wk = 0.0026596 k( 341) = ( 0.5000000 0.3611327 0.2155358), wk = 0.0026596 k( 342) = ( 0.5000000 0.3611327 0.2001404), wk = 0.0026596 k( 343) = ( 0.5000000 0.3611327 0.1847450), wk = 0.0026596 k( 344) = ( 0.5000000 0.3611327 0.1693495), wk = 0.0026596 k( 345) = ( 0.5000000 0.3611327 0.1539541), wk = 0.0026596 k( 346) = ( 0.5000000 0.3611327 0.1385587), wk = 0.0026596 k( 347) = ( 0.5000000 0.3611327 0.1231633), wk = 0.0026596 k( 348) = ( 0.5000000 0.3611327 0.1077679), wk = 0.0026596 k( 349) = ( 0.5000000 0.3611327 0.0923725), wk = 0.0026596 k( 350) = ( 0.5000000 0.3611327 0.0769771), wk = 0.0026596 k( 351) = ( 0.5000000 0.3611327 0.0615816), wk = 0.0026596 k( 352) = ( 0.5000000 0.3611327 0.0461862), wk = 0.0026596 k( 353) = ( 0.5000000 0.3611327 0.0307908), wk = 0.0026596 k( 354) = ( 0.5000000 0.3611327 0.0153954), wk = 0.0026596 k( 355) = ( 0.5000000 0.3611327 0.0000000), wk = 0.0026596 k( 356) = ( 0.0000000 0.0000000 0.8539512), wk = 0.0026596 k( 357) = ( 0.0125000 0.0090283 0.8539512), wk = 0.0026596 k( 358) = ( 0.0250000 0.0180566 0.8539512), wk = 0.0026596 k( 359) = ( 0.0375000 0.0270850 0.8539512), wk = 0.0026596 k( 360) = ( 0.0500000 0.0361133 0.8539512), wk = 0.0026596 k( 361) = ( 0.0625000 0.0451416 0.8539512), wk = 0.0026596 k( 362) = ( 0.0750000 0.0541699 0.8539512), wk = 0.0026596 k( 363) = ( 0.0875000 0.0631982 0.8539512), wk = 0.0026596 k( 364) = ( 0.1000000 0.0722265 0.8539512), wk = 0.0026596 k( 365) = ( 0.1125000 0.0812549 0.8539512), wk = 0.0026596 k( 366) = ( 0.1250000 0.0902832 0.8539512), wk = 0.0026596 k( 367) = ( 0.1375000 0.0993115 0.8539512), wk = 0.0026596 k( 368) = ( 0.1500000 0.1083398 0.8539512), wk = 0.0026596 k( 369) = ( 0.1625000 0.1173681 0.8539512), wk = 0.0026596 k( 370) = ( 0.1750000 0.1263965 0.8539512), wk = 0.0026596 k( 371) = ( 0.1875000 0.1354248 0.8539512), wk = 0.0026596 k( 372) = ( 0.2000000 0.1444531 0.8539512), wk = 0.0026596 k( 373) = ( 0.2125000 0.1534814 0.8539512), wk = 0.0026596 k( 374) = ( 0.2250000 0.1625097 0.8539512), wk = 0.0026596 k( 375) = ( 0.2375000 0.1715380 0.8539512), wk = 0.0026596 k( 376) = ( 0.2500000 0.1805664 0.8539512), wk = 0.0026596 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 2) = ( 0.0000000 0.0000000 0.0090909), wk = 0.0026596 k( 3) = ( 0.0000000 0.0000000 0.0181818), wk = 0.0026596 k( 4) = ( 0.0000000 0.0000000 0.0272727), wk = 0.0026596 k( 5) = ( 0.0000000 0.0000000 0.0363636), wk = 0.0026596 k( 6) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0026596 k( 7) = ( 0.0000000 0.0000000 0.0545455), wk = 0.0026596 k( 8) = ( 0.0000000 0.0000000 0.0636364), wk = 0.0026596 k( 9) = ( 0.0000000 0.0000000 0.0727273), wk = 0.0026596 k( 10) = ( 0.0000000 0.0000000 0.0818182), wk = 0.0026596 k( 11) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0026596 k( 12) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0026596 k( 13) = ( 0.0000000 0.0000000 0.1090909), wk = 0.0026596 k( 14) = ( 0.0000000 0.0000000 0.1181818), wk = 0.0026596 k( 15) = ( 0.0000000 0.0000000 0.1272727), wk = 0.0026596 k( 16) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0026596 k( 17) = ( 0.0000000 0.0000000 0.1454546), wk = 0.0026596 k( 18) = ( 0.0000000 0.0000000 0.1545455), wk = 0.0026596 k( 19) = ( 0.0000000 0.0000000 0.1636364), wk = 0.0026596 k( 20) = ( 0.0000000 0.0000000 0.1727273), wk = 0.0026596 k( 21) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0026596 k( 22) = ( 0.0000000 0.0000000 0.1909091), wk = 0.0026596 k( 23) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0026596 k( 24) = ( 0.0000000 0.0000000 0.2090909), wk = 0.0026596 k( 25) = ( 0.0000000 0.0000000 0.2181818), wk = 0.0026596 k( 26) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0026596 k( 27) = ( 0.0000000 0.0000000 0.2363636), wk = 0.0026596 k( 28) = ( 0.0000000 0.0000000 0.2454545), wk = 0.0026596 k( 29) = ( 0.0000000 0.0000000 0.2545455), wk = 0.0026596 k( 30) = ( 0.0000000 0.0000000 0.2636364), wk = 0.0026596 k( 31) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0026596 k( 32) = ( 0.0000000 0.0000000 0.2818182), wk = 0.0026596 k( 33) = ( 0.0000000 0.0000000 0.2909091), wk = 0.0026596 k( 34) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0026596 k( 35) = ( 0.0000000 0.0000000 0.3090909), wk = 0.0026596 k( 36) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0026596 k( 37) = ( 0.0000000 0.0000000 0.3272727), wk = 0.0026596 k( 38) = ( 0.0000000 0.0000000 0.3363636), wk = 0.0026596 k( 39) = ( 0.0000000 0.0000000 0.3454546), wk = 0.0026596 k( 40) = ( 0.0000000 0.0000000 0.3545455), wk = 0.0026596 k( 41) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0026596 k( 42) = ( 0.0000000 0.0000000 0.3727273), wk = 0.0026596 k( 43) = ( 0.0000000 0.0000000 0.3818182), wk = 0.0026596 k( 44) = ( 0.0000000 0.0000000 0.3909091), wk = 0.0026596 k( 45) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0026596 k( 46) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0026596 k( 47) = ( 0.0000000 0.0000000 0.4181818), wk = 0.0026596 k( 48) = ( 0.0000000 0.0000000 0.4272727), wk = 0.0026596 k( 49) = ( 0.0000000 0.0000000 0.4363636), wk = 0.0026596 k( 50) = ( 0.0000000 0.0000000 0.4454546), wk = 0.0026596 k( 51) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0026596 k( 52) = ( 0.0000000 0.0000000 0.4636364), wk = 0.0026596 k( 53) = ( 0.0000000 0.0000000 0.4727273), wk = 0.0026596 k( 54) = ( 0.0000000 0.0000000 0.4818182), wk = 0.0026596 k( 55) = ( 0.0000000 0.0000000 0.4909091), wk = 0.0026596 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026596 k( 57) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026596 k( 58) = ( -0.0086945 0.0086945 0.5000000), wk = 0.0026596 k( 59) = ( -0.0173889 0.0173889 0.5000000), wk = 0.0026596 k( 60) = ( -0.0260834 0.0260834 0.5000000), wk = 0.0026596 k( 61) = ( -0.0347778 0.0347778 0.5000000), wk = 0.0026596 k( 62) = ( -0.0434723 0.0434723 0.5000000), wk = 0.0026596 k( 63) = ( -0.0521667 0.0521667 0.5000000), wk = 0.0026596 k( 64) = ( -0.0608612 0.0608612 0.5000000), wk = 0.0026596 k( 65) = ( -0.0695556 0.0695556 0.5000000), wk = 0.0026596 k( 66) = ( -0.0782501 0.0782501 0.5000000), wk = 0.0026596 k( 67) = ( -0.0869446 0.0869446 0.5000000), wk = 0.0026596 k( 68) = ( -0.0956390 0.0956390 0.5000000), wk = 0.0026596 k( 69) = ( -0.1043335 0.1043335 0.5000000), wk = 0.0026596 k( 70) = ( -0.1130279 0.1130279 0.5000000), wk = 0.0026596 k( 71) = ( -0.1217224 0.1217224 0.5000000), wk = 0.0026596 k( 72) = ( -0.1304168 0.1304168 0.5000000), wk = 0.0026596 k( 73) = ( -0.1304168 0.1304168 0.5000000), wk = 0.0026596 k( 74) = ( -0.1367890 0.1367890 0.4936279), wk = 0.0026596 k( 75) = ( -0.1431611 0.1431611 0.4872558), wk = 0.0026596 k( 76) = ( -0.1495332 0.1495332 0.4808836), wk = 0.0026596 k( 77) = ( -0.1559053 0.1559053 0.4745115), wk = 0.0026596 k( 78) = ( -0.1622775 0.1622775 0.4681394), wk = 0.0026596 k( 79) = ( -0.1686496 0.1686496 0.4617673), wk = 0.0026596 k( 80) = ( -0.1750217 0.1750217 0.4553951), wk = 0.0026596 k( 81) = ( -0.1813938 0.1813938 0.4490230), wk = 0.0026596 k( 82) = ( -0.1877659 0.1877660 0.4426509), wk = 0.0026596 k( 83) = ( -0.1941381 0.1941381 0.4362788), wk = 0.0026596 k( 84) = ( -0.2005102 0.2005102 0.4299066), wk = 0.0026596 k( 85) = ( -0.2068823 0.2068823 0.4235345), wk = 0.0026596 k( 86) = ( -0.2132545 0.2132545 0.4171624), wk = 0.0026596 k( 87) = ( -0.2196266 0.2196266 0.4107903), wk = 0.0026596 k( 88) = ( -0.2259987 0.2259987 0.4044181), wk = 0.0026596 k( 89) = ( -0.2323708 0.2323708 0.3980460), wk = 0.0026596 k( 90) = ( -0.2387429 0.2387429 0.3916739), wk = 0.0026596 k( 91) = ( -0.2451151 0.2451151 0.3853018), wk = 0.0026596 k( 92) = ( -0.2514872 0.2514872 0.3789296), wk = 0.0026596 k( 93) = ( -0.2578593 0.2578593 0.3725575), wk = 0.0026596 k( 94) = ( -0.2642314 0.2642314 0.3661854), wk = 0.0026596 k( 95) = ( -0.2706036 0.2706036 0.3598133), wk = 0.0026596 k( 96) = ( -0.2769757 0.2769757 0.3534412), wk = 0.0026596 k( 97) = ( -0.2833478 0.2833478 0.3470690), wk = 0.0026596 k( 98) = ( -0.2897199 0.2897199 0.3406969), wk = 0.0026596 k( 99) = ( -0.2960920 0.2960920 0.3343248), wk = 0.0026596 k( 100) = ( -0.3024642 0.3024642 0.3279527), wk = 0.0026596 k( 101) = ( -0.3088363 0.3088363 0.3215805), wk = 0.0026596 k( 102) = ( -0.3152084 0.3152084 0.3152084), wk = 0.0026596 k( 103) = ( -0.3152084 0.3152084 0.3152084), wk = 0.0026596 k( 104) = ( -0.3087756 0.3087756 0.3087756), wk = 0.0026596 k( 105) = ( -0.3023428 0.3023428 0.3023428), wk = 0.0026596 k( 106) = ( -0.2959099 0.2959100 0.2959099), wk = 0.0026596 k( 107) = ( -0.2894771 0.2894771 0.2894771), wk = 0.0026596 k( 108) = ( -0.2830443 0.2830443 0.2830443), wk = 0.0026596 k( 109) = ( -0.2766115 0.2766115 0.2766115), wk = 0.0026596 k( 110) = ( -0.2701787 0.2701787 0.2701787), wk = 0.0026596 k( 111) = ( -0.2637458 0.2637458 0.2637458), wk = 0.0026596 k( 112) = ( -0.2573130 0.2573130 0.2573130), wk = 0.0026596 k( 113) = ( -0.2508802 0.2508802 0.2508802), wk = 0.0026596 k( 114) = ( -0.2444474 0.2444474 0.2444473), wk = 0.0026596 k( 115) = ( -0.2380145 0.2380145 0.2380145), wk = 0.0026596 k( 116) = ( -0.2315817 0.2315817 0.2315817), wk = 0.0026596 k( 117) = ( -0.2251489 0.2251489 0.2251489), wk = 0.0026596 k( 118) = ( -0.2187160 0.2187161 0.2187160), wk = 0.0026596 k( 119) = ( -0.2122832 0.2122832 0.2122832), wk = 0.0026596 k( 120) = ( -0.2058504 0.2058504 0.2058504), wk = 0.0026596 k( 121) = ( -0.1994176 0.1994176 0.1994176), wk = 0.0026596 k( 122) = ( -0.1929848 0.1929848 0.1929848), wk = 0.0026596 k( 123) = ( -0.1865519 0.1865519 0.1865519), wk = 0.0026596 k( 124) = ( -0.1801191 0.1801191 0.1801191), wk = 0.0026596 k( 125) = ( -0.1736863 0.1736863 0.1736863), wk = 0.0026596 k( 126) = ( -0.1672534 0.1672534 0.1672534), wk = 0.0026596 k( 127) = ( -0.1608206 0.1608206 0.1608206), wk = 0.0026596 k( 128) = ( -0.1543878 0.1543878 0.1543878), wk = 0.0026596 k( 129) = ( -0.1479550 0.1479550 0.1479550), wk = 0.0026596 k( 130) = ( -0.1415222 0.1415222 0.1415222), wk = 0.0026596 k( 131) = ( -0.1350893 0.1350893 0.1350893), wk = 0.0026596 k( 132) = ( -0.1286565 0.1286565 0.1286565), wk = 0.0026596 k( 133) = ( -0.1222237 0.1222237 0.1222237), wk = 0.0026596 k( 134) = ( -0.1157909 0.1157908 0.1157908), wk = 0.0026596 k( 135) = ( -0.1093580 0.1093580 0.1093580), wk = 0.0026596 k( 136) = ( -0.1029252 0.1029252 0.1029252), wk = 0.0026596 k( 137) = ( -0.0964924 0.0964924 0.0964924), wk = 0.0026596 k( 138) = ( -0.0900596 0.0900595 0.0900596), wk = 0.0026596 k( 139) = ( -0.0836267 0.0836267 0.0836267), wk = 0.0026596 k( 140) = ( -0.0771939 0.0771939 0.0771939), wk = 0.0026596 k( 141) = ( -0.0707611 0.0707611 0.0707611), wk = 0.0026596 k( 142) = ( -0.0643283 0.0643282 0.0643283), wk = 0.0026596 k( 143) = ( -0.0578954 0.0578954 0.0578954), wk = 0.0026596 k( 144) = ( -0.0514626 0.0514626 0.0514626), wk = 0.0026596 k( 145) = ( -0.0450298 0.0450298 0.0450298), wk = 0.0026596 k( 146) = ( -0.0385969 0.0385969 0.0385969), wk = 0.0026596 k( 147) = ( -0.0321641 0.0321641 0.0321641), wk = 0.0026596 k( 148) = ( -0.0257313 0.0257313 0.0257313), wk = 0.0026596 k( 149) = ( -0.0192985 0.0192985 0.0192985), wk = 0.0026596 k( 150) = ( -0.0128656 0.0128656 0.0128656), wk = 0.0026596 k( 151) = ( -0.0064328 0.0064328 0.0064328), wk = 0.0026596 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 154) = ( 0.0125000 0.0125000 -0.0125000), wk = 0.0026596 k( 155) = ( 0.0250000 0.0250000 -0.0250000), wk = 0.0026596 k( 156) = ( 0.0375000 0.0375000 -0.0375000), wk = 0.0026596 k( 157) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0026596 k( 158) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0026596 k( 159) = ( 0.0750000 0.0750000 -0.0750000), wk = 0.0026596 k( 160) = ( 0.0875000 0.0875000 -0.0875000), wk = 0.0026596 k( 161) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0026596 k( 162) = ( 0.1125000 0.1125000 -0.1125000), wk = 0.0026596 k( 163) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0026596 k( 164) = ( 0.1375000 0.1375000 -0.1375000), wk = 0.0026596 k( 165) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0026596 k( 166) = ( 0.1625000 0.1625000 -0.1625000), wk = 0.0026596 k( 167) = ( 0.1750000 0.1750000 -0.1750000), wk = 0.0026596 k( 168) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0026596 k( 169) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0026596 k( 170) = ( 0.2125000 0.2125000 -0.2125000), wk = 0.0026596 k( 171) = ( 0.2250000 0.2250000 -0.2250000), wk = 0.0026596 k( 172) = ( 0.2375000 0.2375000 -0.2375000), wk = 0.0026596 k( 173) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0026596 k( 174) = ( 0.2625000 0.2625000 -0.2625000), wk = 0.0026596 k( 175) = ( 0.2750000 0.2750000 -0.2750000), wk = 0.0026596 k( 176) = ( 0.2875000 0.2875000 -0.2875000), wk = 0.0026596 k( 177) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0026596 k( 178) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0026596 k( 179) = ( 0.3250000 0.3250000 -0.3250000), wk = 0.0026596 k( 180) = ( 0.3375000 0.3375000 -0.3375000), wk = 0.0026596 k( 181) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0026596 k( 182) = ( 0.3625000 0.3625000 -0.3625000), wk = 0.0026596 k( 183) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0026596 k( 184) = ( 0.3875000 0.3875000 -0.3875000), wk = 0.0026596 k( 185) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0026596 k( 186) = ( 0.4125000 0.4125000 -0.4125000), wk = 0.0026596 k( 187) = ( 0.4250000 0.4250000 -0.4250000), wk = 0.0026596 k( 188) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0026596 k( 189) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0026596 k( 190) = ( 0.4625000 0.4625000 -0.4625000), wk = 0.0026596 k( 191) = ( 0.4750000 0.4750000 -0.4750000), wk = 0.0026596 k( 192) = ( 0.4875000 0.4875000 -0.4875000), wk = 0.0026596 k( 193) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026596 k( 194) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026596 k( 195) = ( 0.4936279 0.5063721 -0.4936279), wk = 0.0026596 k( 196) = ( 0.4872557 0.5127443 -0.4872557), wk = 0.0026596 k( 197) = ( 0.4808836 0.5191164 -0.4808836), wk = 0.0026596 k( 198) = ( 0.4745115 0.5254885 -0.4745115), wk = 0.0026596 k( 199) = ( 0.4681394 0.5318606 -0.4681394), wk = 0.0026596 k( 200) = ( 0.4617673 0.5382327 -0.4617673), wk = 0.0026596 k( 201) = ( 0.4553951 0.5446049 -0.4553951), wk = 0.0026596 k( 202) = ( 0.4490230 0.5509770 -0.4490230), wk = 0.0026596 k( 203) = ( 0.4426509 0.5573491 -0.4426509), wk = 0.0026596 k( 204) = ( 0.4362788 0.5637212 -0.4362788), wk = 0.0026596 k( 205) = ( 0.4299066 0.5700934 -0.4299066), wk = 0.0026596 k( 206) = ( 0.4235345 0.5764655 -0.4235345), wk = 0.0026596 k( 207) = ( 0.4171624 0.5828376 -0.4171624), wk = 0.0026596 k( 208) = ( 0.4107903 0.5892097 -0.4107903), wk = 0.0026596 k( 209) = ( 0.4044181 0.5955818 -0.4044181), wk = 0.0026596 k( 210) = ( 0.3980460 0.6019540 -0.3980460), wk = 0.0026596 k( 211) = ( 0.3916739 0.6083261 -0.3916739), wk = 0.0026596 k( 212) = ( 0.3853018 0.6146982 -0.3853018), wk = 0.0026596 k( 213) = ( 0.3789297 0.6210703 -0.3789297), wk = 0.0026596 k( 214) = ( 0.3725575 0.6274425 -0.3725575), wk = 0.0026596 k( 215) = ( 0.3661854 0.6338146 -0.3661854), wk = 0.0026596 k( 216) = ( 0.3598133 0.6401867 -0.3598133), wk = 0.0026596 k( 217) = ( 0.3534412 0.6465588 -0.3534412), wk = 0.0026596 k( 218) = ( 0.3470690 0.6529310 -0.3470690), wk = 0.0026596 k( 219) = ( 0.3406969 0.6593031 -0.3406969), wk = 0.0026596 k( 220) = ( 0.3343248 0.6656752 -0.3343248), wk = 0.0026596 k( 221) = ( 0.3279527 0.6720473 -0.3279527), wk = 0.0026596 k( 222) = ( 0.3215805 0.6784195 -0.3215805), wk = 0.0026596 k( 223) = ( 0.3152084 0.6847916 -0.3152084), wk = 0.0026596 k( 224) = ( 0.3152084 0.6847916 -0.3152084), wk = 0.0026596 k( 225) = ( 0.3015037 0.6767572 -0.3015037), wk = 0.0026596 k( 226) = ( 0.2877990 0.6687228 -0.2877990), wk = 0.0026596 k( 227) = ( 0.2740943 0.6606883 -0.2740943), wk = 0.0026596 k( 228) = ( 0.2603896 0.6526539 -0.2603896), wk = 0.0026596 k( 229) = ( 0.2466849 0.6446195 -0.2466848), wk = 0.0026596 k( 230) = ( 0.2329801 0.6365851 -0.2329801), wk = 0.0026596 k( 231) = ( 0.2192754 0.6285507 -0.2192754), wk = 0.0026596 k( 232) = ( 0.2055707 0.6205162 -0.2055707), wk = 0.0026596 k( 233) = ( 0.1918660 0.6124818 -0.1918660), wk = 0.0026596 k( 234) = ( 0.1781613 0.6044474 -0.1781613), wk = 0.0026596 k( 235) = ( 0.1644566 0.5964130 -0.1644566), wk = 0.0026596 k( 236) = ( 0.1507518 0.5883786 -0.1507518), wk = 0.0026596 k( 237) = ( 0.1370471 0.5803442 -0.1370471), wk = 0.0026596 k( 238) = ( 0.1233424 0.5723098 -0.1233424), wk = 0.0026596 k( 239) = ( 0.1096377 0.5642753 -0.1096377), wk = 0.0026596 k( 240) = ( 0.0959330 0.5562409 -0.0959330), wk = 0.0026596 k( 241) = ( 0.0822283 0.5482065 -0.0822283), wk = 0.0026596 k( 242) = ( 0.0685236 0.5401721 -0.0685236), wk = 0.0026596 k( 243) = ( 0.0548189 0.5321377 -0.0548189), wk = 0.0026596 k( 244) = ( 0.0411141 0.5241033 -0.0411141), wk = 0.0026596 k( 245) = ( 0.0274094 0.5160688 -0.0274094), wk = 0.0026596 k( 246) = ( 0.0137047 0.5080344 -0.0137047), wk = 0.0026596 k( 247) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026596 k( 248) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026596 k( 249) = ( 0.0064103 0.4935897 0.0064103), wk = 0.0026596 k( 250) = ( 0.0128205 0.4871795 0.0128205), wk = 0.0026596 k( 251) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0026596 k( 252) = ( 0.0256410 0.4743590 0.0256410), wk = 0.0026596 k( 253) = ( 0.0320513 0.4679487 0.0320513), wk = 0.0026596 k( 254) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0026596 k( 255) = ( 0.0448718 0.4551282 0.0448718), wk = 0.0026596 k( 256) = ( 0.0512821 0.4487179 0.0512821), wk = 0.0026596 k( 257) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0026596 k( 258) = ( 0.0641026 0.4358974 0.0641026), wk = 0.0026596 k( 259) = ( 0.0705128 0.4294872 0.0705128), wk = 0.0026596 k( 260) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0026596 k( 261) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0026596 k( 262) = ( 0.0897436 0.4102564 0.0897436), wk = 0.0026596 k( 263) = ( 0.0961538 0.4038462 0.0961539), wk = 0.0026596 k( 264) = ( 0.1025641 0.3974359 0.1025641), wk = 0.0026596 k( 265) = ( 0.1089744 0.3910256 0.1089744), wk = 0.0026596 k( 266) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0026596 k( 267) = ( 0.1217949 0.3782051 0.1217949), wk = 0.0026596 k( 268) = ( 0.1282051 0.3717949 0.1282051), wk = 0.0026596 k( 269) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0026596 k( 270) = ( 0.1410256 0.3589744 0.1410256), wk = 0.0026596 k( 271) = ( 0.1474359 0.3525641 0.1474359), wk = 0.0026596 k( 272) = ( 0.1538461 0.3461539 0.1538462), wk = 0.0026596 k( 273) = ( 0.1602564 0.3397436 0.1602564), wk = 0.0026596 k( 274) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0026596 k( 275) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0026596 k( 276) = ( 0.1794872 0.3205128 0.1794872), wk = 0.0026596 k( 277) = ( 0.1858974 0.3141026 0.1858974), wk = 0.0026596 k( 278) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0026596 k( 279) = ( 0.1987180 0.3012821 0.1987180), wk = 0.0026596 k( 280) = ( 0.2051282 0.2948718 0.2051282), wk = 0.0026596 k( 281) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0026596 k( 282) = ( 0.2179487 0.2820513 0.2179487), wk = 0.0026596 k( 283) = ( 0.2243590 0.2756410 0.2243590), wk = 0.0026596 k( 284) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0026596 k( 285) = ( 0.2371795 0.2628205 0.2371795), wk = 0.0026596 k( 286) = ( 0.2435897 0.2564103 0.2435897), wk = 0.0026596 k( 287) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026596 k( 288) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026596 k( 289) = ( 0.2600000 0.2600000 0.2347833), wk = 0.0026596 k( 290) = ( 0.2700000 0.2700000 0.2195667), wk = 0.0026596 k( 291) = ( 0.2800000 0.2800000 0.2043500), wk = 0.0026596 k( 292) = ( 0.2900000 0.2900000 0.1891333), wk = 0.0026596 k( 293) = ( 0.3000000 0.3000000 0.1739166), wk = 0.0026596 k( 294) = ( 0.3100000 0.3100000 0.1587000), wk = 0.0026596 k( 295) = ( 0.3200000 0.3200000 0.1434833), wk = 0.0026596 k( 296) = ( 0.3300000 0.3300000 0.1282666), wk = 0.0026596 k( 297) = ( 0.3400000 0.3400000 0.1130499), wk = 0.0026596 k( 298) = ( 0.3500000 0.3500000 0.0978333), wk = 0.0026596 k( 299) = ( 0.3600000 0.3600000 0.0826166), wk = 0.0026596 k( 300) = ( 0.3700000 0.3700000 0.0673999), wk = 0.0026596 k( 301) = ( 0.3800000 0.3800000 0.0521832), wk = 0.0026596 k( 302) = ( 0.3900000 0.3900000 0.0369666), wk = 0.0026596 k( 303) = ( 0.4000000 0.4000000 0.0217499), wk = 0.0026596 k( 304) = ( 0.4100000 0.4100000 0.0065332), wk = 0.0026596 k( 305) = ( 0.4200000 0.4200000 -0.0086834), wk = 0.0026596 k( 306) = ( 0.4300000 0.4300000 -0.0239001), wk = 0.0026596 k( 307) = ( 0.4400000 0.4400000 -0.0391168), wk = 0.0026596 k( 308) = ( 0.4500000 0.4500000 -0.0543335), wk = 0.0026596 k( 309) = ( 0.4600000 0.4600000 -0.0695501), wk = 0.0026596 k( 310) = ( 0.4700000 0.4700000 -0.0847668), wk = 0.0026596 k( 311) = ( 0.4800000 0.4800000 -0.0999835), wk = 0.0026596 k( 312) = ( 0.4900000 0.4900000 -0.1152002), wk = 0.0026596 k( 313) = ( 0.5000000 0.5000000 -0.1304168), wk = 0.0026596 k( 314) = ( 0.5000000 0.5000000 -0.1304168), wk = 0.0026596 k( 315) = ( 0.5000000 0.5000000 -0.1394311), wk = 0.0026596 k( 316) = ( 0.5000000 0.5000000 -0.1484453), wk = 0.0026596 k( 317) = ( 0.5000000 0.5000000 -0.1574595), wk = 0.0026596 k( 318) = ( 0.5000000 0.5000000 -0.1664737), wk = 0.0026596 k( 319) = ( 0.5000000 0.5000000 -0.1754880), wk = 0.0026596 k( 320) = ( 0.5000000 0.5000000 -0.1845022), wk = 0.0026596 k( 321) = ( 0.5000000 0.5000000 -0.1935164), wk = 0.0026596 k( 322) = ( 0.5000000 0.5000000 -0.2025306), wk = 0.0026596 k( 323) = ( 0.5000000 0.5000000 -0.2115448), wk = 0.0026596 k( 324) = ( 0.5000000 0.5000000 -0.2205591), wk = 0.0026596 k( 325) = ( 0.5000000 0.5000000 -0.2295733), wk = 0.0026596 k( 326) = ( 0.5000000 0.5000000 -0.2385875), wk = 0.0026596 k( 327) = ( 0.5000000 0.5000000 -0.2476017), wk = 0.0026596 k( 328) = ( 0.5000000 0.5000000 -0.2566160), wk = 0.0026596 k( 329) = ( 0.5000000 0.5000000 -0.2656302), wk = 0.0026596 k( 330) = ( 0.5000000 0.5000000 -0.2746444), wk = 0.0026596 k( 331) = ( 0.5000000 0.5000000 -0.2836586), wk = 0.0026596 k( 332) = ( 0.5000000 0.5000000 -0.2926729), wk = 0.0026596 k( 333) = ( 0.5000000 0.5000000 -0.3016871), wk = 0.0026596 k( 334) = ( 0.5000000 0.5000000 -0.3107013), wk = 0.0026596 k( 335) = ( 0.5000000 0.5000000 -0.3197155), wk = 0.0026596 k( 336) = ( 0.5000000 0.5000000 -0.3287298), wk = 0.0026596 k( 337) = ( 0.5000000 0.5000000 -0.3377440), wk = 0.0026596 k( 338) = ( 0.5000000 0.5000000 -0.3467582), wk = 0.0026596 k( 339) = ( 0.5000000 0.5000000 -0.3557724), wk = 0.0026596 k( 340) = ( 0.5000000 0.5000000 -0.3647866), wk = 0.0026596 k( 341) = ( 0.5000000 0.5000000 -0.3738009), wk = 0.0026596 k( 342) = ( 0.5000000 0.5000000 -0.3828151), wk = 0.0026596 k( 343) = ( 0.5000000 0.5000000 -0.3918293), wk = 0.0026596 k( 344) = ( 0.5000000 0.5000000 -0.4008435), wk = 0.0026596 k( 345) = ( 0.5000000 0.5000000 -0.4098578), wk = 0.0026596 k( 346) = ( 0.5000000 0.5000000 -0.4188720), wk = 0.0026596 k( 347) = ( 0.5000000 0.5000000 -0.4278862), wk = 0.0026596 k( 348) = ( 0.5000000 0.5000000 -0.4369004), wk = 0.0026596 k( 349) = ( 0.5000000 0.5000000 -0.4459147), wk = 0.0026596 k( 350) = ( 0.5000000 0.5000000 -0.4549289), wk = 0.0026596 k( 351) = ( 0.5000000 0.5000000 -0.4639431), wk = 0.0026596 k( 352) = ( 0.5000000 0.5000000 -0.4729573), wk = 0.0026596 k( 353) = ( 0.5000000 0.5000000 -0.4819716), wk = 0.0026596 k( 354) = ( 0.5000000 0.5000000 -0.4909858), wk = 0.0026596 k( 355) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026596 k( 356) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026596 k( 357) = ( 0.0125000 0.0125000 0.4875000), wk = 0.0026596 k( 358) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0026596 k( 359) = ( 0.0375000 0.0375000 0.4625000), wk = 0.0026596 k( 360) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0026596 k( 361) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0026596 k( 362) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0026596 k( 363) = ( 0.0875000 0.0875000 0.4125000), wk = 0.0026596 k( 364) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0026596 k( 365) = ( 0.1125000 0.1125000 0.3875000), wk = 0.0026596 k( 366) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0026596 k( 367) = ( 0.1375000 0.1375000 0.3625000), wk = 0.0026596 k( 368) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0026596 k( 369) = ( 0.1625000 0.1625000 0.3375000), wk = 0.0026596 k( 370) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0026596 k( 371) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0026596 k( 372) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0026596 k( 373) = ( 0.2125000 0.2125000 0.2875000), wk = 0.0026596 k( 374) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0026596 k( 375) = ( 0.2375000 0.2375000 0.2625000), wk = 0.0026596 k( 376) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026596 Dense grid: 41975 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 20961 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 170, 50) NL pseudopotentials 0.12 Mb ( 85, 90) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1166) G-vector shells 0.00 Mb ( 529) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 170, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.14 Mb ( 90, 2, 50) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SnF4.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 3.0 secs Computing kpt #: 4 total cpu time spent up to now is 3.3 secs Computing kpt #: 5 total cpu time spent up to now is 3.7 secs Computing kpt #: 6 total cpu time spent up to now is 4.0 secs Computing kpt #: 7 total cpu time spent up to now is 4.3 secs Computing kpt #: 8 total cpu time spent up to now is 4.6 secs Computing kpt #: 9 total cpu time spent up to now is 5.0 secs Computing kpt #: 10 total cpu time spent up to now is 5.3 secs Computing kpt #: 11 total cpu time spent up to now is 5.6 secs Computing kpt #: 12 total cpu time spent up to now is 6.0 secs Computing kpt #: 13 total cpu time spent up to now is 6.3 secs Computing kpt #: 14 total cpu time spent up to now is 6.6 secs Computing kpt #: 15 total cpu time spent up to now is 7.0 secs Computing kpt #: 16 total cpu time spent up to now is 7.3 secs Computing kpt #: 17 total cpu time spent up to now is 7.6 secs Computing kpt #: 18 total cpu time spent up to now is 8.0 secs Computing kpt #: 19 total cpu time spent up to now is 8.3 secs Computing kpt #: 20 total cpu time spent up to now is 8.7 secs Computing kpt #: 21 total cpu time spent up to now is 9.0 secs Computing kpt #: 22 total cpu time spent up to now is 9.4 secs Computing kpt #: 23 total cpu time spent up to now is 9.7 secs Computing kpt #: 24 total cpu time spent up to now is 10.1 secs Computing kpt #: 25 total cpu time spent up to now is 10.4 secs Computing kpt #: 26 total cpu time spent up to now is 10.7 secs Computing kpt #: 27 total cpu time spent up to now is 11.1 secs Computing kpt #: 28 total cpu time spent up to now is 11.4 secs Computing kpt #: 29 total cpu time spent up to now is 11.7 secs Computing kpt #: 30 total cpu time spent up to now is 12.0 secs Computing kpt #: 31 total cpu time spent up to now is 12.3 secs Computing kpt #: 32 total cpu time spent up to now is 12.6 secs Computing kpt #: 33 total cpu time spent up to now is 13.0 secs Computing kpt #: 34 total cpu time spent up to now is 13.3 secs Computing kpt #: 35 total cpu time spent up to now is 13.6 secs Computing kpt #: 36 total cpu time spent up to now is 13.9 secs Computing kpt #: 37 total cpu time spent up to now is 14.2 secs Computing kpt #: 38 total cpu time spent up to now is 14.5 secs Computing kpt #: 39 total cpu time spent up to now is 14.8 secs Computing kpt #: 40 total cpu time spent up to now is 15.1 secs Computing kpt #: 41 total cpu time spent up to now is 15.4 secs Computing kpt #: 42 total cpu time spent up to now is 15.7 secs Computing kpt #: 43 total cpu time spent up to now is 16.0 secs Computing kpt #: 44 total cpu time spent up to now is 16.3 secs Computing kpt #: 45 total cpu time spent up to now is 16.6 secs Computing kpt #: 46 total cpu time spent up to now is 16.8 secs Computing kpt #: 47 total cpu time spent up to now is 17.1 secs Computing kpt #: 48 total cpu time spent up to now is 17.4 secs Computing kpt #: 49 total cpu time spent up to now is 17.7 secs Computing kpt #: 50 total cpu time spent up to now is 18.0 secs Computing kpt #: 51 total cpu time spent up to now is 18.3 secs Computing kpt #: 52 total cpu time spent up to now is 18.6 secs Computing kpt #: 53 total cpu time spent up to now is 18.9 secs Computing kpt #: 54 total cpu time spent up to now is 19.1 secs Computing kpt #: 55 total cpu time spent up to now is 19.4 secs Computing kpt #: 56 total cpu time spent up to now is 19.7 secs Computing kpt #: 57 total cpu time spent up to now is 20.0 secs Computing kpt #: 58 total cpu time spent up to now is 20.3 secs Computing kpt #: 59 total cpu time spent up to now is 20.5 secs Computing kpt #: 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25.1 secs Computing kpt #: 76 total cpu time spent up to now is 25.4 secs Computing kpt #: 77 total cpu time spent up to now is 25.7 secs Computing kpt #: 78 total cpu time spent up to now is 26.0 secs Computing kpt #: 79 total cpu time spent up to now is 26.3 secs Computing kpt #: 80 total cpu time spent up to now is 26.6 secs Computing kpt #: 81 total cpu time spent up to now is 26.8 secs Computing kpt #: 82 total cpu time spent up to now is 27.1 secs Computing kpt #: 83 total cpu time spent up to now is 27.4 secs Computing kpt #: 84 total cpu time spent up to now is 27.7 secs Computing kpt #: 85 total cpu time spent up to now is 28.0 secs Computing kpt #: 86 total cpu time spent up to now is 28.3 secs Computing kpt #: 87 total cpu time spent up to now is 28.6 secs Computing kpt #: 88 total cpu time spent up to now is 28.9 secs Computing kpt #: 89 total cpu time spent up to now is 29.1 secs Computing kpt #: 90 total cpu time spent up to now is 29.4 secs Computing kpt #: 91 total cpu 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Computing kpt #: 107 total cpu time spent up to now is 34.5 secs Computing kpt #: 108 total cpu time spent up to now is 34.8 secs Computing kpt #: 109 total cpu time spent up to now is 35.1 secs Computing kpt #: 110 total cpu time spent up to now is 35.4 secs Computing kpt #: 111 total cpu time spent up to now is 35.7 secs Computing kpt #: 112 total cpu time spent up to now is 36.0 secs Computing kpt #: 113 total cpu time spent up to now is 36.3 secs Computing kpt #: 114 total cpu time spent up to now is 36.6 secs Computing kpt #: 115 total cpu time spent up to now is 36.9 secs Computing kpt #: 116 total cpu time spent up to now is 37.2 secs Computing kpt #: 117 total cpu time spent up to now is 37.6 secs Computing kpt #: 118 total cpu time spent up to now is 37.9 secs Computing kpt #: 119 total cpu time spent up to now is 38.3 secs Computing kpt #: 120 total cpu time spent up to now is 38.7 secs Computing kpt #: 121 total cpu time spent up to now is 39.0 secs Computing kpt #: 122 total cpu time spent up to now is 39.3 secs Computing kpt #: 123 total cpu time spent up to now is 39.6 secs Computing kpt #: 124 total cpu time spent up to now is 39.9 secs Computing kpt #: 125 total cpu time spent up to now is 40.2 secs Computing kpt #: 126 total cpu time spent up to now is 40.6 secs Computing kpt #: 127 total cpu time spent up to now is 40.9 secs Computing kpt #: 128 total cpu time spent up to now is 41.2 secs Computing kpt #: 129 total cpu time spent up to now is 41.6 secs Computing kpt #: 130 total cpu time spent up to now is 41.9 secs Computing kpt #: 131 total cpu time spent up to now is 42.3 secs Computing kpt #: 132 total cpu time spent up to now is 42.6 secs Computing kpt #: 133 total cpu time spent up to now is 43.0 secs Computing kpt #: 134 total cpu time spent up to now is 43.3 secs Computing kpt #: 135 total cpu time spent up to now is 43.7 secs Computing kpt #: 136 total cpu time spent up to now is 44.0 secs Computing kpt #: 137 total cpu time spent up to now is 44.4 secs Computing kpt #: 138 total cpu time spent up to now is 44.7 secs Computing kpt #: 139 total cpu time spent up to now is 45.0 secs Computing kpt #: 140 total cpu time spent up to now is 45.4 secs Computing kpt #: 141 total cpu time spent up to now is 45.7 secs Computing kpt #: 142 total cpu time spent up to now is 46.0 secs Computing kpt #: 143 total cpu time spent up to now is 46.3 secs Computing kpt #: 144 total cpu time spent up to now is 46.7 secs Computing kpt #: 145 total cpu time spent up to now is 47.0 secs Computing kpt #: 146 total cpu time spent up to now is 47.3 secs Computing kpt #: 147 total cpu time spent up to now is 47.6 secs Computing kpt #: 148 total cpu time spent up to now is 47.9 secs Computing kpt #: 149 total cpu time spent up to now is 48.2 secs Computing kpt #: 150 total cpu time spent up to now is 48.5 secs Computing kpt #: 151 total cpu time spent up to now is 48.9 secs Computing kpt #: 152 total cpu time spent up to now is 49.2 secs Computing kpt #: 153 total cpu time spent up to now is 49.5 secs Computing kpt #: 154 total cpu time spent up to now is 49.8 secs Computing kpt #: 155 total cpu time spent up to now is 50.1 secs Computing kpt #: 156 total cpu time spent up to now is 50.4 secs Computing kpt #: 157 total cpu time spent up to now is 50.7 secs Computing kpt #: 158 total cpu time spent up to now is 51.0 secs Computing kpt #: 159 total cpu time spent up to now is 51.3 secs Computing kpt #: 160 total cpu time spent up to now is 51.6 secs Computing kpt #: 161 total cpu time spent up to now is 51.9 secs Computing kpt #: 162 total cpu time spent up to now is 52.2 secs Computing kpt #: 163 total cpu time spent up to now is 52.5 secs Computing kpt #: 164 total cpu time spent up to now is 52.8 secs Computing kpt #: 165 total cpu time spent up to now is 53.1 secs Computing kpt #: 166 total cpu time spent up to now is 53.4 secs Computing kpt #: 167 total cpu time spent up to now is 53.7 secs Computing kpt #: 168 total cpu time spent up to now is 54.1 secs Computing kpt #: 169 total cpu time spent up to now is 54.4 secs Computing kpt #: 170 total cpu time spent up to now is 54.7 secs Computing kpt #: 171 total cpu time spent up to now is 55.0 secs Computing kpt #: 172 total cpu time spent up to now is 55.4 secs Computing kpt #: 173 total cpu time spent up to now is 55.7 secs Computing kpt #: 174 total cpu time spent up to now is 56.0 secs Computing kpt #: 175 total cpu time spent up to now is 56.4 secs Computing kpt #: 176 total cpu time spent up to now is 56.7 secs Computing kpt #: 177 total cpu time spent up to now is 57.0 secs Computing kpt #: 178 total cpu time spent up to now is 57.4 secs Computing kpt #: 179 total cpu time spent up to now is 57.8 secs Computing kpt #: 180 total cpu time spent up to now is 58.2 secs Computing kpt #: 181 total cpu time spent up to now is 58.5 secs Computing kpt #: 182 total cpu time spent up to now is 58.9 secs Computing kpt #: 183 total cpu time spent up to now is 59.2 secs Computing kpt #: 184 total cpu time spent up to now is 59.6 secs Computing kpt #: 185 total cpu time spent up to now is 59.9 secs Computing kpt #: 186 total cpu time spent up to now is 60.3 secs Computing kpt #: 187 total cpu time spent up to now is 60.6 secs Computing kpt #: 188 total cpu time spent up to now is 61.0 secs Computing kpt #: 189 total cpu time spent up to now is 61.3 secs Computing kpt #: 190 total cpu time spent up to now is 61.6 secs Computing kpt #: 191 total cpu time spent up to now is 62.0 secs Computing kpt #: 192 total cpu time spent up to now is 62.3 secs Computing kpt #: 193 total cpu time spent up to now is 62.7 secs Computing kpt #: 194 total cpu time spent up to now is 63.0 secs Computing kpt #: 195 total cpu time spent up to now is 63.3 secs Computing kpt #: 196 total cpu time spent up to now is 63.8 secs Computing kpt #: 197 total cpu time spent up to now is 64.1 secs Computing kpt #: 198 total cpu time spent up to now is 64.4 secs Computing kpt #: 199 total cpu time spent up to now is 64.8 secs Computing kpt #: 200 total cpu time spent up to now is 65.1 secs Computing kpt #: 201 total cpu time spent up to now is 65.5 secs Computing kpt #: 202 total cpu time spent up to now is 65.8 secs Computing kpt #: 203 total cpu time spent up to now is 66.1 secs Computing kpt #: 204 total cpu time spent up to now is 66.5 secs Computing kpt #: 205 total cpu time spent up to now is 66.8 secs Computing kpt #: 206 total cpu time spent up to now is 67.2 secs Computing kpt #: 207 total cpu time spent up to now is 67.5 secs Computing kpt #: 208 total cpu time spent up to now is 67.8 secs Computing kpt #: 209 total cpu time spent up to now is 68.1 secs Computing kpt #: 210 total cpu time spent up to now is 68.5 secs Computing kpt #: 211 total cpu time spent up to now is 68.8 secs Computing kpt #: 212 total cpu time spent up to now is 69.1 secs Computing kpt #: 213 total cpu time spent up to now is 69.4 secs Computing kpt #: 214 total cpu time spent up to now is 69.7 secs Computing kpt #: 215 total cpu time spent up to now is 70.0 secs Computing kpt #: 216 total cpu time spent up to now is 70.3 secs Computing kpt #: 217 total cpu time spent up to now is 70.7 secs Computing kpt #: 218 total cpu time spent up to now is 71.0 secs Computing kpt #: 219 total cpu time spent up to now is 71.3 secs Computing kpt #: 220 total cpu time spent up to now is 71.6 secs Computing kpt #: 221 total cpu time spent up to now is 71.9 secs Computing kpt #: 222 total cpu time spent up to now is 72.2 secs Computing kpt #: 223 total cpu time spent up to now is 72.5 secs Computing kpt #: 224 total cpu time spent up to now is 72.7 secs Computing kpt #: 225 total cpu time spent up to now is 73.0 secs Computing kpt #: 226 total cpu time spent up to now is 73.3 secs Computing kpt #: 227 total cpu time spent up to now is 73.6 secs Computing kpt #: 228 total cpu time spent up to now is 73.9 secs Computing kpt #: 229 total cpu time spent up to now is 74.2 secs Computing kpt #: 230 total cpu time spent up to now is 74.5 secs Computing kpt #: 231 total cpu time spent up to now is 74.8 secs Computing kpt #: 232 total cpu time spent up to now is 75.1 secs Computing kpt #: 233 total cpu time spent up to now is 75.4 secs Computing kpt #: 234 total cpu time spent up to now is 75.7 secs Computing kpt #: 235 total cpu time spent up to now is 76.0 secs Computing kpt #: 236 total cpu time spent up to now is 76.3 secs Computing kpt #: 237 total cpu time spent up to now is 76.6 secs Computing kpt #: 238 total cpu time spent up to now is 76.9 secs Computing kpt #: 239 total cpu time spent up to now is 77.2 secs Computing kpt #: 240 total cpu time spent up to now is 77.5 secs Computing kpt #: 241 total cpu time spent up to now is 77.8 secs Computing kpt #: 242 total cpu time spent up to now is 78.1 secs Computing kpt #: 243 total cpu time spent up to now is 78.4 secs Computing kpt #: 244 total cpu time spent up to now is 78.8 secs Computing kpt #: 245 total cpu time spent up to now is 79.0 secs Computing kpt #: 246 total cpu time spent up to now is 79.3 secs Computing kpt #: 247 total cpu time spent up to now is 79.6 secs Computing kpt #: 248 total cpu time spent up to now is 79.9 secs Computing kpt #: 249 total cpu time spent up to now is 80.2 secs Computing kpt #: 250 total cpu time spent up to now is 80.5 secs Computing kpt #: 251 total cpu time spent up to now is 80.8 secs Computing kpt #: 252 total cpu time spent up to now is 81.1 secs Computing kpt #: 253 total cpu time spent up to now is 81.5 secs Computing kpt #: 254 total cpu time spent up to now is 81.8 secs Computing kpt #: 255 total cpu time spent up to now is 82.1 secs Computing kpt #: 256 total cpu time spent up to now is 82.4 secs Computing kpt #: 257 total cpu time spent up to now is 82.7 secs Computing kpt #: 258 total cpu time spent up to now is 83.0 secs Computing kpt #: 259 total cpu time spent up to now is 83.3 secs Computing kpt #: 260 total cpu time spent up to now is 83.6 secs Computing kpt #: 261 total cpu time spent up to now is 83.9 secs Computing kpt #: 262 total cpu time spent up to now is 84.2 secs Computing kpt #: 263 total cpu time spent up to now is 84.5 secs Computing kpt #: 264 total cpu time spent up to now is 84.8 secs Computing kpt #: 265 total cpu time spent up to now is 85.1 secs Computing kpt #: 266 total cpu time spent up to now is 85.4 secs Computing kpt #: 267 total cpu time spent up to now is 85.7 secs Computing kpt #: 268 total cpu time spent up to now is 86.0 secs Computing kpt #: 269 total cpu time spent up to now is 86.3 secs Computing kpt #: 270 total cpu time spent up to now is 86.6 secs Computing kpt #: 271 total cpu time spent up to now is 86.9 secs Computing kpt #: 272 total cpu time spent up to now is 87.2 secs Computing kpt #: 273 total cpu time spent up to now is 87.5 secs Computing kpt #: 274 total cpu time spent up to now is 87.9 secs Computing kpt #: 275 total cpu time spent up to now is 88.2 secs Computing kpt #: 276 total cpu time spent up to now is 88.5 secs Computing kpt #: 277 total cpu time spent up to now is 88.8 secs Computing kpt #: 278 total cpu time spent up to now is 89.1 secs Computing kpt #: 279 total cpu time spent up to now is 89.4 secs Computing kpt #: 280 total cpu time spent up to now is 89.7 secs Computing kpt #: 281 total cpu time spent up to now is 90.0 secs Computing kpt #: 282 total cpu time spent up to now is 90.3 secs Computing kpt #: 283 total cpu time spent up to now is 90.6 secs Computing kpt #: 284 total cpu time spent up to now is 90.9 secs Computing kpt #: 285 total cpu time spent up to now is 91.2 secs Computing kpt #: 286 total cpu time spent up to now is 91.5 secs Computing kpt #: 287 total cpu time spent up to now is 91.8 secs Computing kpt #: 288 total cpu time spent up to now is 92.1 secs Computing kpt #: 289 total cpu time spent up to now is 92.4 secs Computing kpt #: 290 total cpu time spent up to now is 92.7 secs Computing kpt #: 291 total cpu time spent up to now is 93.0 secs Computing kpt #: 292 total cpu time spent up to now is 93.3 secs Computing kpt #: 293 total cpu time spent up to now is 93.6 secs Computing kpt #: 294 total cpu time spent up to now is 93.9 secs Computing kpt #: 295 total cpu time spent up to now is 94.2 secs Computing kpt #: 296 total cpu time spent up to now is 94.5 secs Computing kpt #: 297 total cpu time spent up to now is 94.8 secs Computing kpt #: 298 total cpu time spent up to now is 95.1 secs Computing kpt #: 299 total cpu time spent up to now is 95.4 secs Computing kpt #: 300 total cpu time spent up to now is 95.7 secs Computing kpt #: 301 total cpu time spent up to now is 96.0 secs Computing kpt #: 302 total cpu time spent up to now is 96.3 secs Computing kpt #: 303 total cpu time spent up to now is 96.6 secs Computing kpt #: 304 total cpu time spent up to now is 96.9 secs Computing kpt #: 305 total cpu time spent up to now is 97.2 secs Computing kpt #: 306 total cpu time spent up to now is 97.5 secs Computing kpt #: 307 total cpu time spent up to now is 97.8 secs Computing kpt #: 308 total cpu time spent up to now is 98.1 secs Computing kpt #: 309 total cpu time spent up to now is 98.4 secs Computing kpt #: 310 total cpu time spent up to now is 98.7 secs Computing kpt #: 311 total cpu time spent up to now is 99.0 secs Computing kpt #: 312 total cpu time spent up to now is 99.3 secs Computing kpt #: 313 total cpu time spent up to now is 99.6 secs Computing kpt #: 314 total cpu time spent up to now is 99.9 secs Computing kpt #: 315 total cpu time spent up to now is 100.2 secs Computing kpt #: 316 total cpu time spent up to now is 100.5 secs Computing kpt #: 317 total cpu time spent up to now is 100.7 secs Computing kpt #: 318 total cpu time spent up to now is 101.0 secs Computing kpt #: 319 total cpu time spent up to now is 101.3 secs Computing kpt #: 320 total cpu time spent up to now is 101.6 secs Computing kpt #: 321 total cpu time spent up to now is 101.9 secs Computing kpt #: 322 total cpu time spent up to now is 102.2 secs Computing kpt #: 323 total cpu time spent up to now is 102.5 secs Computing kpt #: 324 total cpu time spent up to now is 102.8 secs Computing kpt #: 325 total cpu time spent up to now is 103.0 secs Computing kpt #: 326 total cpu time spent up to now is 103.3 secs Computing kpt #: 327 total cpu time spent up to now is 103.6 secs Computing kpt #: 328 total cpu time spent up to now is 103.9 secs Computing kpt #: 329 total cpu time spent up to now is 104.2 secs Computing kpt #: 330 total cpu time spent up to now is 104.5 secs Computing kpt #: 331 total cpu time spent up to now is 104.8 secs Computing kpt #: 332 total cpu time spent up to now is 105.1 secs Computing kpt #: 333 total cpu time spent up to now is 105.4 secs Computing kpt #: 334 total cpu time spent up to now is 105.7 secs Computing kpt #: 335 total cpu time spent up to now is 106.0 secs Computing kpt #: 336 total cpu time spent up to now is 106.3 secs Computing kpt #: 337 total cpu time spent up to now is 106.6 secs Computing kpt #: 338 total cpu time spent up to now is 106.9 secs Computing kpt #: 339 total cpu time spent up to now is 107.2 secs Computing kpt #: 340 total cpu time spent up to now is 107.5 secs Computing kpt #: 341 total cpu time spent up to now is 107.8 secs Computing kpt #: 342 total cpu time spent up to now is 108.1 secs Computing kpt #: 343 total cpu time spent up to now is 108.5 secs Computing kpt #: 344 total cpu time spent up to now is 108.8 secs Computing kpt #: 345 total cpu time spent up to now is 109.1 secs Computing kpt #: 346 total cpu time spent up to now is 109.4 secs Computing kpt #: 347 total cpu time spent up to now is 109.7 secs Computing kpt #: 348 total cpu time spent up to now is 110.1 secs Computing kpt #: 349 total cpu time spent up to now is 110.4 secs Computing kpt #: 350 total cpu time spent up to now is 110.7 secs Computing kpt #: 351 total cpu time spent up to now is 111.0 secs Computing kpt #: 352 total cpu time spent up to now is 111.4 secs Computing kpt #: 353 total cpu time spent up to now is 111.7 secs Computing kpt #: 354 total cpu time spent up to now is 112.0 secs Computing kpt #: 355 total cpu time spent up to now is 112.4 secs Computing kpt #: 356 total cpu time spent up to now is 112.7 secs Computing kpt #: 357 total cpu time spent up to now is 112.9 secs Computing kpt #: 358 total cpu time spent up to now is 113.2 secs Computing kpt #: 359 total cpu time spent up to now is 113.5 secs Computing kpt #: 360 total cpu time spent up to now is 113.8 secs Computing kpt #: 361 total cpu time spent up to now is 114.1 secs Computing kpt #: 362 total cpu time spent up to now is 114.4 secs Computing kpt #: 363 total cpu time spent up to now is 114.7 secs Computing kpt #: 364 total cpu time spent up to now is 115.0 secs Computing kpt #: 365 total cpu time spent up to now is 115.3 secs Computing kpt #: 366 total cpu time spent up to now is 115.6 secs Computing kpt #: 367 total cpu time spent up to now is 115.9 secs Computing kpt #: 368 total cpu time spent up to now is 116.2 secs Computing kpt #: 369 total cpu time spent up to now is 116.5 secs Computing kpt #: 370 total cpu time spent up to now is 116.8 secs Computing kpt #: 371 total cpu time spent up to now is 117.1 secs Computing kpt #: 372 total cpu time spent up to now is 117.4 secs Computing kpt #: 373 total cpu time spent up to now is 117.7 secs Computing kpt #: 374 total cpu time spent up to now is 118.0 secs Computing kpt #: 375 total cpu time spent up to now is 118.3 secs Computing kpt #: 376 total cpu time spent up to now is 118.6 secs ethr = 2.38E-08, avg # of iterations = 12.1 total cpu time spent up to now is 118.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2641 PWs) bands (ev): -19.6239 -19.6239 -19.4985 -19.4985 -18.8509 -18.8509 -17.1705 -17.1705 -16.6853 -16.6853 -16.5339 -16.5339 -15.9092 -15.9092 -14.9144 -14.9144 -14.3705 -14.3705 -2.6500 -2.6500 -2.5247 -2.5247 -1.0879 -1.0879 -0.3006 -0.3006 0.6454 0.6454 0.6623 0.6623 0.7098 0.7098 1.5205 1.5205 1.5431 1.5431 1.5634 1.5634 2.5020 2.5020 2.5456 2.5456 6.2688 6.2688 14.5466 14.5466 15.3637 15.3637 15.8259 15.8259 k = 0.0000 0.0000 0.0155 ( 2631 PWs) bands (ev): -19.6234 -19.6234 -19.4980 -19.4980 -18.8508 -18.8508 -17.1706 -17.1706 -16.6854 -16.6854 -16.5339 -16.5339 -15.9092 -15.9092 -14.9155 -14.9155 -14.3709 -14.3709 -2.6509 -2.6509 -2.5257 -2.5257 -1.0872 -1.0872 -0.2968 -0.2968 0.6451 0.6451 0.6620 0.6620 0.7087 0.7087 1.5214 1.5214 1.5428 1.5428 1.5644 1.5644 2.5012 2.5012 2.5448 2.5448 6.2715 6.2715 14.5475 14.5475 15.3618 15.3618 15.8240 15.8240 k = 0.0000 0.0000 0.0311 ( 2631 PWs) bands (ev): -19.6220 -19.6220 -19.4966 -19.4966 -18.8506 -18.8506 -17.1710 -17.1710 -16.6858 -16.6858 -16.5340 -16.5340 -15.9093 -15.9093 -14.9191 -14.9191 -14.3720 -14.3720 -2.6545 -2.6545 -2.5277 -2.5277 -1.0853 -1.0853 -0.2855 -0.2855 0.6440 0.6440 0.6613 0.6613 0.7054 0.7054 1.5241 1.5241 1.5420 1.5420 1.5673 1.5673 2.4986 2.4986 2.5426 2.5426 6.2797 6.2797 14.5502 14.5502 15.3562 15.3562 15.8182 15.8182 k = 0.0000 0.0000 0.0466 ( 2631 PWs) bands (ev): -19.6197 -19.6197 -19.4943 -19.4943 -18.8502 -18.8502 -17.1716 -17.1716 -16.6863 -16.6863 -16.5341 -16.5341 -15.9094 -15.9094 -14.9250 -14.9250 -14.3738 -14.3738 -2.6630 -2.6630 -2.5283 -2.5283 -1.0821 -1.0821 -0.2670 -0.2670 0.6411 0.6411 0.6610 0.6610 0.7001 0.7001 1.5282 1.5282 1.5409 1.5409 1.5721 1.5721 2.4936 2.4936 2.5396 2.5396 6.2934 6.2934 14.5545 14.5545 15.3466 15.3466 15.8089 15.8089 k = 0.0000 0.0000 0.0621 ( 2635 PWs) bands (ev): -19.6164 -19.6164 -19.4911 -19.4911 -18.8496 -18.8496 -17.1725 -17.1725 -16.6871 -16.6871 -16.5342 -16.5342 -15.9095 -15.9095 -14.9333 -14.9333 -14.3764 -14.3764 -2.6790 -2.6790 -2.5244 -2.5244 -1.0777 -1.0777 -0.2417 -0.2417 0.6358 0.6358 0.6614 0.6614 0.6933 0.6933 1.5320 1.5320 1.5413 1.5413 1.5786 1.5786 2.4857 2.4857 2.5365 2.5365 6.3124 6.3124 14.5603 14.5603 15.3330 15.3330 15.7965 15.7965 k = 0.0000 0.0000 0.0776 ( 2629 PWs) bands (ev): -19.6123 -19.6123 -19.4869 -19.4869 -18.8488 -18.8488 -17.1736 -17.1736 -16.6881 -16.6881 -16.5344 -16.5344 -15.9097 -15.9097 -14.9439 -14.9439 -14.3796 -14.3796 -2.7039 -2.7039 -2.5142 -2.5142 -1.0720 -1.0720 -0.2102 -0.2102 0.6282 0.6282 0.6615 0.6615 0.6860 0.6860 1.5319 1.5319 1.5468 1.5468 1.5868 1.5868 2.4742 2.4742 2.5339 2.5339 6.3367 6.3367 14.5674 14.5674 15.3150 15.3150 15.7816 15.7816 k = 0.0000 0.0000 0.0932 ( 2623 PWs) bands (ev): -19.6071 -19.6071 -19.4819 -19.4819 -18.8479 -18.8479 -17.1750 -17.1750 -16.6894 -16.6894 -16.5346 -16.5346 -15.9099 -15.9099 -14.9567 -14.9567 -14.3836 -14.3836 -2.7372 -2.7372 -2.4976 -2.4976 -1.0649 -1.0649 -0.1731 -0.1731 0.6185 0.6185 0.6580 0.6580 0.6817 0.6817 1.5291 1.5291 1.5560 1.5560 1.5966 1.5966 2.4592 2.4592 2.5320 2.5320 6.3662 6.3662 14.5755 14.5755 15.2925 15.2925 15.7650 15.7650 k = 0.0000 0.0000 0.1087 ( 2623 PWs) bands (ev): -19.6011 -19.6011 -19.4759 -19.4759 -18.8469 -18.8469 -17.1766 -17.1766 -16.6909 -16.6909 -16.5349 -16.5349 -15.9102 -15.9102 -14.9717 -14.9717 -14.3883 -14.3883 -2.7777 -2.7777 -2.4752 -2.4752 -1.0567 -1.0567 -0.1312 -0.1312 0.6068 0.6068 0.6484 0.6484 0.6828 0.6828 1.5251 1.5251 1.5673 1.5673 1.6079 1.6079 2.4408 2.4408 2.5307 2.5307 6.4007 6.4007 14.5842 14.5842 15.2650 15.2650 15.7475 15.7475 k = 0.0000 0.0000 0.1242 ( 2627 PWs) bands (ev): -19.5942 -19.5942 -19.4691 -19.4691 -18.8457 -18.8457 -17.1785 -17.1785 -16.6926 -16.6926 -16.5352 -16.5352 -15.9105 -15.9105 -14.9890 -14.9890 -14.3937 -14.3937 -2.8242 -2.8242 -2.4476 -2.4476 -1.0471 -1.0471 -0.0851 -0.0851 0.5934 0.5934 0.6348 0.6348 0.6873 0.6873 1.5203 1.5203 1.5801 1.5801 1.6206 1.6206 2.4192 2.4192 2.5299 2.5299 6.4402 6.4402 14.5930 14.5930 15.2323 15.2323 15.7303 15.7303 k = 0.0000 0.0000 0.1397 ( 2625 PWs) bands (ev): -19.5863 -19.5863 -19.4614 -19.4614 -18.8443 -18.8443 -17.1806 -17.1806 -16.6946 -16.6946 -16.5355 -16.5355 -15.9108 -15.9108 -15.0082 -15.0082 -14.3998 -14.3998 -2.8754 -2.8754 -2.4154 -2.4154 -1.0363 -1.0363 -0.0355 -0.0355 0.5785 0.5785 0.6189 0.6189 0.6936 0.6936 1.5148 1.5148 1.5945 1.5945 1.6347 1.6347 2.3949 2.3949 2.5294 2.5294 6.4844 6.4844 14.6013 14.6013 15.1941 15.1941 15.7143 15.7143 k = 0.0000 0.0000 0.1553 ( 2618 PWs) bands (ev): -19.5776 -19.5776 -19.4528 -19.4528 -18.8428 -18.8428 -17.1829 -17.1829 -16.6968 -16.6968 -16.5359 -16.5359 -15.9112 -15.9112 -15.0295 -15.0295 -14.4066 -14.4066 -2.9307 -2.9307 -2.3790 -2.3790 -1.0242 -1.0242 0.0168 0.0168 0.5622 0.5622 0.6014 0.6014 0.7011 0.7011 1.5087 1.5087 1.6101 1.6101 1.6501 1.6501 2.3680 2.3680 2.5292 2.5292 6.5332 6.5332 14.6085 14.6085 15.1503 15.1503 15.7006 15.7006 k = 0.0000 0.0000 0.1708 ( 2616 PWs) bands (ev): -19.5679 -19.5679 -19.4434 -19.4434 -18.8412 -18.8412 -17.1855 -17.1855 -16.6993 -16.6993 -16.5363 -16.5363 -15.9116 -15.9116 -15.0527 -15.0527 -14.4141 -14.4141 -2.9891 -2.9891 -2.3386 -2.3386 -1.0109 -1.0109 0.0712 0.0712 0.5448 0.5448 0.5826 0.5826 0.7096 0.7096 1.5018 1.5018 1.6268 1.6268 1.6666 1.6666 2.3387 2.3387 2.5292 2.5292 6.5864 6.5864 14.6137 14.6137 15.1012 15.1012 15.6900 15.6900 k = 0.0000 0.0000 0.1863 ( 2616 PWs) bands (ev): -19.5574 -19.5574 -19.4332 -19.4332 -18.8394 -18.8394 -17.1882 -17.1882 -16.7021 -16.7021 -16.5368 -16.5368 -15.9121 -15.9121 -15.0778 -15.0778 -14.4222 -14.4222 -3.0502 -3.0502 -2.2945 -2.2945 -0.9964 -0.9964 0.1268 0.1268 0.5267 0.5267 0.5628 0.5628 0.7190 0.7190 1.4943 1.4943 1.6444 1.6444 1.6844 1.6844 2.3075 2.3075 2.5293 2.5293 6.6439 6.6439 14.6158 14.6158 15.0471 15.0471 15.6834 15.6834 k = 0.0000 0.0000 0.2018 ( 2616 PWs) bands (ev): -19.5459 -19.5459 -19.4222 -19.4222 -18.8375 -18.8375 -17.1911 -17.1911 -16.7052 -16.7052 -16.5373 -16.5373 -15.9126 -15.9126 -15.1046 -15.1046 -14.4310 -14.4310 -3.1134 -3.1134 -2.2468 -2.2468 -0.9807 -0.9807 0.1829 0.1829 0.5082 0.5082 0.5422 0.5422 0.7291 0.7291 1.4861 1.4861 1.6628 1.6628 1.7034 1.7034 2.2743 2.2743 2.5295 2.5295 6.7054 6.7054 14.6136 14.6136 14.9889 14.9889 15.6814 15.6814 k = 0.0000 0.0000 0.2174 ( 2620 PWs) bands (ev): -19.5336 -19.5336 -19.4104 -19.4104 -18.8355 -18.8355 -17.1942 -17.1942 -16.7086 -16.7086 -16.5379 -16.5379 -15.9131 -15.9131 -15.1331 -15.1331 -14.4404 -14.4404 -3.1781 -3.1781 -2.1958 -2.1958 -0.9638 -0.9638 0.2380 0.2380 0.4906 0.4906 0.5209 0.5209 0.7401 0.7401 1.4772 1.4772 1.6816 1.6816 1.7238 1.7238 2.2395 2.2395 2.5297 2.5297 6.7710 6.7710 14.6052 14.6052 14.9282 14.9282 15.6843 15.6843 k = 0.0000 0.0000 0.2329 ( 2624 PWs) bands (ev): -19.5205 -19.5205 -19.3979 -19.3979 -18.8334 -18.8334 -17.1975 -17.1975 -16.7123 -16.7123 -16.5385 -16.5385 -15.9137 -15.9137 -15.1631 -15.1631 -14.4504 -14.4504 -3.2440 -3.2440 -2.1416 -2.1416 -0.9457 -0.9457 0.2892 0.2892 0.4763 0.4763 0.4993 0.4993 0.7517 0.7517 1.4676 1.4676 1.7007 1.7007 1.7454 1.7454 2.2032 2.2032 2.5300 2.5300 6.8402 6.8402 14.5882 14.5882 14.8671 14.8671 15.6923 15.6923 k = 0.0000 0.0000 0.2484 ( 2624 PWs) bands (ev): -19.5065 -19.5065 -19.3847 -19.3847 -18.8312 -18.8312 -17.2009 -17.2009 -16.7164 -16.7164 -16.5391 -16.5391 -15.9143 -15.9143 -15.1945 -15.1945 -14.4610 -14.4610 -3.3108 -3.3108 -2.0843 -2.0843 -0.9265 -0.9265 0.3296 0.3296 0.4696 0.4696 0.4797 0.4797 0.7640 0.7640 1.4573 1.4573 1.7199 1.7199 1.7686 1.7686 2.1657 2.1657 2.5303 2.5303 6.9131 6.9131 14.5595 14.5595 14.8090 14.8090 15.7054 15.7054 k = 0.0000 0.0000 0.2639 ( 2620 PWs) bands (ev): -19.4917 -19.4917 -19.3708 -19.3708 -18.8288 -18.8288 -17.2045 -17.2045 -16.7208 -16.7208 -16.5397 -16.5397 -15.9150 -15.9150 -15.2272 -15.2272 -14.4721 -14.4721 -3.3780 -3.3780 -2.0242 -2.0242 -0.9062 -0.9062 0.3474 0.3474 0.4526 0.4526 0.4919 0.4919 0.7770 0.7770 1.4463 1.4463 1.7389 1.7389 1.7931 1.7931 2.1271 2.1271 2.5306 2.5306 6.9895 6.9895 14.5157 14.5157 14.7571 14.7571 15.7230 15.7230 k = 0.0000 0.0000 0.2795 ( 2624 PWs) bands (ev): -19.4760 -19.4760 -19.3562 -19.3562 -18.8264 -18.8264 -17.2082 -17.2082 -16.7255 -16.7255 -16.5404 -16.5404 -15.9157 -15.9157 -15.2611 -15.2611 -14.4839 -14.4839 -3.4455 -3.4455 -1.9614 -1.9614 -0.8848 -0.8848 0.3421 0.3421 0.4300 0.4300 0.5313 0.5313 0.7906 0.7906 1.4346 1.4346 1.7576 1.7576 1.8191 1.8191 2.0877 2.0877 2.5308 2.5308 7.0691 7.0691 14.4561 14.4561 14.7126 14.7126 15.7442 15.7442 k = 0.0000 0.0000 0.2950 ( 2628 PWs) bands (ev): -19.4596 -19.4596 -19.3410 -19.3410 -18.8239 -18.8239 -17.2121 -17.2121 -16.7307 -16.7307 -16.5412 -16.5412 -15.9164 -15.9164 -15.2960 -15.2960 -14.4961 -14.4961 -3.5129 -3.5129 -1.8961 -1.8961 -0.8623 -0.8623 0.3250 0.3250 0.4071 0.4071 0.5817 0.5817 0.8048 0.8048 1.4222 1.4222 1.7761 1.7761 1.8463 1.8463 2.0475 2.0475 2.5310 2.5310 7.1519 7.1519 14.3829 14.3829 14.6736 14.6736 15.7670 15.7670 k = 0.0000 0.0000 0.3105 ( 2624 PWs) bands (ev): -19.4424 -19.4424 -19.3252 -19.3252 -18.8213 -18.8213 -17.2161 -17.2161 -16.7363 -16.7363 -16.5419 -16.5419 -15.9171 -15.9171 -15.3318 -15.3318 -14.5088 -14.5088 -3.5801 -3.5801 -1.8285 -1.8285 -0.8387 -0.8387 0.3029 0.3029 0.3840 0.3840 0.6358 0.6358 0.8195 0.8195 1.4091 1.4091 1.7943 1.7943 1.8748 1.8748 2.0069 2.0069 2.5312 2.5312 7.2377 7.2377 14.2995 14.2995 14.6371 14.6371 15.7875 15.7875 k = 0.0000 0.0000 0.3261 ( 2620 PWs) bands (ev): -19.4244 -19.4244 -19.3089 -19.3089 -18.8187 -18.8187 -17.2201 -17.2201 -16.7423 -16.7423 -16.5427 -16.5427 -15.9179 -15.9179 -15.3684 -15.3684 -14.5220 -14.5220 -3.6468 -3.6468 -1.7588 -1.7588 -0.8142 -0.8142 0.2784 0.2784 0.3609 0.3609 0.6909 0.6909 0.8348 0.8348 1.3953 1.3953 1.8121 1.8121 1.9044 1.9044 1.9660 1.9660 2.5313 2.5313 7.3263 7.3263 14.2090 14.2090 14.6006 14.6006 15.7981 15.7981 k = 0.0000 0.0000 0.3416 ( 2624 PWs) bands (ev): -19.4057 -19.4057 -19.2921 -19.2921 -18.8160 -18.8160 -17.2243 -17.2243 -16.7489 -16.7489 -16.5435 -16.5435 -15.9188 -15.9188 -15.4056 -15.4056 -14.5356 -14.5356 -3.7129 -3.7129 -1.6871 -1.6871 -0.7887 -0.7887 0.2525 0.2525 0.3378 0.3378 0.7457 0.7457 0.8505 0.8505 1.3807 1.3807 1.8295 1.8295 1.9249 1.9249 1.9350 1.9350 2.5314 2.5314 7.4177 7.4177 14.1134 14.1134 14.5625 14.5625 15.7880 15.7880 k = 0.0000 0.0000 0.3571 ( 2628 PWs) bands (ev): -19.3862 -19.3862 -19.2748 -19.2748 -18.8132 -18.8132 -17.2285 -17.2285 -16.7559 -16.7559 -16.5444 -16.5444 -15.9197 -15.9197 -15.4433 -15.4433 -14.5497 -14.5497 -3.7782 -3.7782 -1.6137 -1.6137 -0.7623 -0.7623 0.2259 0.2259 0.3149 0.3149 0.7995 0.7995 0.8669 0.8669 1.3655 1.3655 1.8465 1.8465 1.8840 1.8840 1.9663 1.9663 2.5313 2.5313 7.5117 7.5117 14.0140 14.0140 14.5221 14.5221 15.7521 15.7521 k = 0.0000 0.0000 0.3726 ( 2632 PWs) bands (ev): -19.3661 -19.3661 -19.2571 -19.2571 -18.8105 -18.8105 -17.2327 -17.2327 -16.7634 -16.7634 -16.5453 -16.5453 -15.9207 -15.9207 -15.4813 -15.4813 -14.5641 -14.5641 -3.8426 -3.8426 -1.5388 -1.5388 -0.7350 -0.7350 0.1988 0.1988 0.2923 0.2923 0.8513 0.8513 0.8845 0.8845 1.3495 1.3495 1.8434 1.8434 1.8632 1.8632 1.9985 1.9985 2.5312 2.5312 7.6081 7.6081 13.9118 13.9118 14.4790 14.4790 15.6973 15.6973 k = 0.0000 0.0000 0.3882 ( 2632 PWs) bands (ev): -19.3453 -19.3453 -19.2390 -19.2390 -18.8077 -18.8077 -17.2371 -17.2371 -16.7716 -16.7716 -16.5462 -16.5462 -15.9217 -15.9217 -15.5194 -15.5194 -14.5788 -14.5788 -3.9059 -3.9059 -1.4626 -1.4626 -0.7068 -0.7068 0.1714 0.1714 0.2699 0.2699 0.8933 0.8933 0.9104 0.9104 1.3328 1.3328 1.8034 1.8034 1.8795 1.8795 2.0313 2.0313 2.5309 2.5309 7.7069 7.7069 13.8074 13.8074 14.4328 14.4328 15.6324 15.6324 k = 0.0000 0.0000 0.4037 ( 2632 PWs) bands (ev): -19.3238 -19.3238 -19.2206 -19.2206 -18.8048 -18.8048 -17.2414 -17.2414 -16.7803 -16.7803 -16.5472 -16.5472 -15.9228 -15.9228 -15.5575 -15.5575 -14.5938 -14.5938 -3.9679 -3.9679 -1.3852 -1.3852 -0.6777 -0.6777 0.1440 0.1440 0.2478 0.2478 0.9144 0.9144 0.9556 0.9556 1.3154 1.3154 1.7643 1.7643 1.8953 1.8953 2.0646 2.0646 2.5305 2.5305 7.8079 7.8079 13.7016 13.7016 14.3835 14.3835 15.5622 15.5622 k = 0.0000 0.0000 0.4192 ( 2628 PWs) bands (ev): -19.3018 -19.3018 -19.2019 -19.2019 -18.8020 -18.8020 -17.2457 -17.2457 -16.7897 -16.7897 -16.5481 -16.5481 -15.9240 -15.9240 -15.5954 -15.5954 -14.6091 -14.6091 -4.0286 -4.0286 -1.3070 -1.3070 -0.6479 -0.6479 0.1166 0.1166 0.2261 0.2261 0.9324 0.9324 1.0018 1.0018 1.2973 1.2973 1.7265 1.7265 1.9107 1.9107 2.0983 2.0983 2.5300 2.5300 7.9109 7.9109 13.5947 13.5947 14.3310 14.3310 15.4896 15.4896 k = 0.0000 0.0000 0.4347 ( 2630 PWs) bands (ev): -19.2792 -19.2792 -19.1830 -19.1830 -18.7992 -18.7992 -17.2501 -17.2501 -16.7998 -16.7998 -16.5491 -16.5491 -15.9253 -15.9253 -15.6330 -15.6330 -14.6246 -14.6246 -4.0879 -4.0879 -1.2281 -1.2281 -0.6173 -0.6173 0.0894 0.0894 0.2049 0.2049 0.9502 0.9502 1.0457 1.0457 1.2785 1.2785 1.6902 1.6902 1.9256 1.9256 2.1323 2.1323 2.5293 2.5293 8.0160 8.0160 13.4871 13.4871 14.2754 14.2754 15.4158 15.4158 k = 0.0000 0.0000 0.4503 ( 2634 PWs) bands (ev): -19.2562 -19.2562 -19.1639 -19.1639 -18.7964 -18.7964 -17.2544 -17.2544 -16.8106 -16.8106 -16.5501 -16.5501 -15.9268 -15.9268 -15.6699 -15.6699 -14.6402 -14.6402 -4.1457 -4.1457 -1.1488 -1.1488 -0.5860 -0.5860 0.0626 0.0626 0.1841 0.1841 0.9680 0.9680 1.0864 1.0864 1.2590 1.2590 1.6562 1.6562 1.9401 1.9401 2.1665 2.1665 2.5285 2.5285 8.1228 8.1228 13.3793 13.3793 14.2167 14.2167 15.3417 15.3417 k = 0.0000 0.0000 0.4658 ( 2634 PWs) bands (ev): -19.2326 -19.2326 -19.1448 -19.1448 -18.7937 -18.7937 -17.2587 -17.2587 -16.8221 -16.8221 -16.5512 -16.5512 -15.9285 -15.9285 -15.7060 -15.7060 -14.6559 -14.6559 -4.2019 -4.2019 -1.0694 -1.0694 -0.5541 -0.5541 0.0360 0.0360 0.1637 0.1637 0.9858 0.9858 1.1232 1.1232 1.2388 1.2388 1.6251 1.6251 1.9540 1.9540 2.2007 2.2007 2.5275 2.5275 8.2314 8.2314 13.2717 13.2717 14.1548 14.1548 15.2679 15.2679 k = 0.0000 0.0000 0.4813 ( 2636 PWs) bands (ev): -19.2086 -19.2086 -19.1255 -19.1255 -18.7910 -18.7910 -17.2630 -17.2630 -16.8345 -16.8345 -16.5522 -16.5522 -15.9306 -15.9306 -15.7411 -15.7411 -14.6717 -14.6717 -4.2564 -4.2564 -0.9900 -0.9900 -0.5216 -0.5216 0.0100 0.0100 0.1439 0.1439 1.0037 1.0037 1.1551 1.1551 1.2181 1.2181 1.5980 1.5980 1.9675 1.9675 2.2349 2.2349 2.5264 2.5264 8.3415 8.3415 13.1646 13.1646 14.0899 14.0899 15.1948 15.1948 k = 0.0000 0.0000 0.4968 ( 2636 PWs) bands (ev): -19.1843 -19.1843 -19.1063 -19.1063 -18.7883 -18.7883 -17.2672 -17.2672 -16.8476 -16.8476 -16.5533 -16.5533 -15.9333 -15.9333 -15.7746 -15.7746 -14.6875 -14.6875 -4.3091 -4.3091 -0.9109 -0.9109 -0.4885 -0.4885 -0.0155 -0.0155 0.1247 0.1247 1.0216 1.0216 1.1801 1.1801 1.1974 1.1974 1.5760 1.5760 1.9805 1.9805 2.2690 2.2690 2.5250 2.5250 8.4530 8.4530 13.0584 13.0584 14.0220 14.0220 15.1226 15.1226 k = 0.0000 0.0000 0.5124 ( 2636 PWs) bands (ev): -19.1596 -19.1596 -19.0872 -19.0872 -18.7857 -18.7857 -17.2713 -17.2713 -16.8616 -16.8616 -16.5544 -16.5544 -15.9368 -15.9368 -15.8063 -15.8063 -14.7032 -14.7032 -4.3600 -4.3600 -0.8325 -0.8325 -0.4549 -0.4549 -0.0404 -0.0404 0.1061 0.1061 1.0394 1.0394 1.1735 1.1735 1.2004 1.2004 1.5607 1.5607 1.9929 1.9929 2.3027 2.3027 2.5235 2.5235 8.5659 8.5659 12.9533 12.9533 13.9511 13.9511 15.0518 15.0518 k = 0.0000 0.0000 0.5279 ( 2632 PWs) bands (ev): -19.1348 -19.1348 -19.0682 -19.0682 -18.7832 -18.7832 -17.2754 -17.2754 -16.8763 -16.8763 -16.5555 -16.5555 -15.9418 -15.9418 -15.8353 -15.8353 -14.7188 -14.7188 -4.4090 -4.4090 -0.7549 -0.7549 -0.4208 -0.4208 -0.0646 -0.0646 0.0881 0.0881 1.0569 1.0569 1.1513 1.1513 1.2099 1.2099 1.5531 1.5531 2.0049 2.0049 2.3361 2.3361 2.5218 2.5218 8.6799 8.6799 12.8498 12.8498 13.8774 13.8774 14.9825 14.9825 k = 0.0000 0.0000 0.5434 ( 2632 PWs) bands (ev): -19.1098 -19.1098 -19.0493 -19.0493 -18.7808 -18.7808 -17.2793 -17.2793 -16.8919 -16.8919 -16.5565 -16.5565 -15.9493 -15.9493 -15.8604 -15.8604 -14.7343 -14.7343 -4.4561 -4.4561 -0.6784 -0.6784 -0.3863 -0.3863 -0.0881 -0.0881 0.0708 0.0708 1.0738 1.0738 1.1287 1.1287 1.2109 1.2109 1.5536 1.5536 2.0163 2.0163 2.3689 2.3689 2.5199 2.5199 8.7949 8.7949 12.7481 12.7481 13.8010 13.8010 14.9149 14.9149 k = 0.0000 0.0000 0.5589 ( 2632 PWs) bands (ev): -19.0847 -19.0847 -19.0308 -19.0308 -18.7785 -18.7785 -17.2832 -17.2832 -16.9083 -16.9083 -16.5576 -16.5576 -15.9606 -15.9606 -15.8804 -15.8804 -14.7495 -14.7495 -4.5011 -4.5011 -0.6034 -0.6034 -0.3515 -0.3515 -0.1107 -0.1107 0.0542 0.0542 1.0866 1.0866 1.1095 1.1095 1.2042 1.2042 1.5613 1.5613 2.0271 2.0271 2.4011 2.4011 2.5179 2.5179 8.9107 8.9107 12.6486 12.6486 13.7220 13.7220 14.8493 14.8493 k = 0.0000 0.0000 0.5745 ( 2628 PWs) bands (ev): -19.0596 -19.0596 -19.0125 -19.0125 -18.7763 -18.7763 -17.2869 -17.2869 -16.9254 -16.9254 -16.5587 -16.5587 -15.9764 -15.9764 -15.8944 -15.8944 -14.7644 -14.7644 -4.5441 -4.5441 -0.5302 -0.5302 -0.3164 -0.3164 -0.1323 -0.1323 0.0383 0.0383 1.0749 1.0749 1.1141 1.1141 1.1914 1.1914 1.5745 1.5745 2.0375 2.0375 2.4325 2.4325 2.5156 2.5156 9.0271 9.0271 12.5515 12.5515 13.6405 13.6405 14.7859 14.7859 k = 0.0000 0.0000 0.5900 ( 2628 PWs) bands (ev): -19.0347 -19.0347 -18.9946 -18.9946 -18.7742 -18.7742 -17.2905 -17.2905 -16.9431 -16.9431 -16.5598 -16.5598 -15.9955 -15.9955 -15.9034 -15.9034 -14.7790 -14.7790 -4.5850 -4.5850 -0.4589 -0.4589 -0.2812 -0.2812 -0.1530 -0.1530 0.0231 0.0231 1.0513 1.0513 1.1297 1.1297 1.1745 1.1745 1.5913 1.5913 2.0472 2.0472 2.4630 2.4630 2.5132 2.5132 9.1441 9.1441 12.4572 12.4572 13.5568 13.5568 14.7247 14.7247 k = 0.0000 0.0000 0.6055 ( 2624 PWs) bands (ev): -19.0101 -19.0101 -18.9770 -18.9770 -18.7723 -18.7723 -17.2939 -17.2939 -16.9615 -16.9615 -16.5608 -16.5608 -16.0162 -16.0162 -15.9091 -15.9091 -14.7931 -14.7931 -4.6237 -4.6237 -0.3901 -0.3901 -0.2461 -0.2461 -0.1724 -0.1724 0.0086 0.0086 1.0262 1.0262 1.1461 1.1461 1.1551 1.1551 1.6102 1.6102 2.0565 2.0565 2.4924 2.4924 2.5108 2.5108 9.2613 9.2613 12.3659 12.3659 13.4710 13.4710 14.6661 14.6661 k = 0.0000 0.0000 0.6211 ( 2622 PWs) bands (ev): -18.9859 -18.9859 -18.9599 -18.9599 -18.7706 -18.7706 -17.2972 -17.2972 -16.9803 -16.9803 -16.5619 -16.5619 -16.0370 -16.0370 -15.9130 -15.9130 -14.8068 -14.8068 -4.6603 -4.6603 -0.3240 -0.3240 -0.2135 -0.2135 -0.1881 -0.1881 -0.0050 -0.0050 1.0004 1.0004 1.1343 1.1343 1.1624 1.1624 1.6301 1.6301 2.0652 2.0652 2.5076 2.5076 2.5213 2.5213 9.3785 9.3785 12.2780 12.2780 13.3833 13.3833 14.6101 14.6101 k = 0.0000 0.0000 0.6366 ( 2618 PWs) bands (ev): -18.9624 -18.9624 -18.9432 -18.9432 -18.7690 -18.7690 -17.3004 -17.3004 -16.9993 -16.9993 -16.5629 -16.5629 -16.0572 -16.0572 -15.9157 -15.9157 -14.8200 -14.8200 -4.6946 -4.6946 -0.2611 -0.2611 -0.2125 -0.2125 -0.1706 -0.1706 -0.0178 -0.0178 0.9741 0.9741 1.1131 1.1131 1.1784 1.1784 1.6502 1.6502 2.0733 2.0733 2.5049 2.5049 2.5484 2.5484 9.4954 9.4954 12.1938 12.1938 13.2941 13.2941 14.5569 14.5569 k = 0.0000 0.0000 0.6521 ( 2618 PWs) bands (ev): -18.9401 -18.9401 -18.9264 -18.9264 -18.7676 -18.7676 -17.3033 -17.3033 -17.0186 -17.0186 -16.5638 -16.5638 -16.0764 -16.0764 -15.9178 -15.9178 -14.8325 -14.8325 -4.7267 -4.7267 -0.2290 -0.2290 -0.2008 -0.2008 -0.1355 -0.1355 -0.0299 -0.0299 0.9476 0.9476 1.0921 1.0921 1.1940 1.1940 1.6698 1.6698 2.0809 2.0809 2.5019 2.5019 2.5742 2.5742 9.6118 9.6118 12.1134 12.1134 13.2038 13.2038 14.5067 14.5067 k = 0.0000 0.0000 0.6676 ( 2618 PWs) bands (ev): -18.9201 -18.9201 -18.9089 -18.9089 -18.7664 -18.7664 -17.3061 -17.3061 -17.0378 -17.0378 -16.5648 -16.5648 -16.0942 -16.0942 -15.9194 -15.9194 -14.8445 -14.8445 -4.7565 -4.7565 -0.2439 -0.2439 -0.1465 -0.1465 -0.0986 -0.0986 -0.0410 -0.0410 0.9209 0.9209 1.0717 1.0717 1.2090 1.2090 1.6886 1.6886 2.0879 2.0879 2.4989 2.4989 2.5986 2.5986 9.7273 9.7273 12.0372 12.0372 13.1127 13.1127 14.4597 14.4597 k = 0.0000 0.0000 0.6832 ( 2612 PWs) bands (ev): -18.9033 -18.9033 -18.8897 -18.8897 -18.7654 -18.7654 -17.3087 -17.3087 -17.0567 -17.0567 -16.5657 -16.5657 -16.1106 -16.1106 -15.9207 -15.9207 -14.8556 -14.8556 -4.7841 -4.7841 -0.2582 -0.2582 -0.0977 -0.0977 -0.0599 -0.0599 -0.0512 -0.0512 0.8943 0.8943 1.0522 1.0522 1.2234 1.2234 1.7064 1.7064 2.0943 2.0943 2.4959 2.4959 2.6215 2.6215 9.8415 9.8415 11.9653 11.9653 13.0214 13.0214 14.4159 14.4159 k = 0.0000 0.0000 0.6987 ( 2610 PWs) bands (ev): -18.8888 -18.8888 -18.8701 -18.8701 -18.7647 -18.7647 -17.3111 -17.3111 -17.0751 -17.0751 -16.5665 -16.5665 -16.1255 -16.1255 -15.9218 -15.9218 -14.8660 -14.8660 -4.8093 -4.8093 -0.2714 -0.2714 -0.0625 -0.0625 -0.0536 -0.0536 -0.0189 -0.0189 0.8677 0.8677 1.0339 1.0339 1.2371 1.2371 1.7230 1.7230 2.1002 2.1002 2.4928 2.4928 2.6428 2.6428 9.9538 9.9538 11.8980 11.8980 12.9304 12.9304 14.3754 14.3754 k = 0.0000 0.0000 0.7142 ( 2618 PWs) bands (ev): -18.8759 -18.8759 -18.8512 -18.8512 -18.7642 -18.7642 -17.3133 -17.3133 -17.0928 -17.0928 -16.5673 -16.5673 -16.1388 -16.1388 -15.9227 -15.9227 -14.8757 -14.8757 -4.8321 -4.8321 -0.2835 -0.2835 -0.0699 -0.0699 -0.0177 -0.0177 0.0223 0.0223 0.8416 0.8416 1.0170 1.0170 1.2499 1.2499 1.7382 1.7382 2.1055 2.1055 2.4898 2.4898 2.6623 2.6623 10.0636 10.0636 11.8354 11.8354 12.8406 12.8406 14.3385 14.3385 k = 0.0000 0.0000 0.7297 ( 2618 PWs) bands (ev): -18.8640 -18.8640 -18.8335 -18.8335 -18.7639 -18.7639 -17.3152 -17.3152 -17.1095 -17.1095 -16.5680 -16.5680 -16.1507 -16.1507 -15.9234 -15.9234 -14.8844 -14.8844 -4.8526 -4.8526 -0.2944 -0.2944 -0.0776 -0.0776 0.0158 0.0158 0.0615 0.0615 0.8160 0.8160 1.0015 1.0015 1.2618 1.2618 1.7519 1.7519 2.1103 2.1103 2.4869 2.4869 2.6800 2.6800 10.1701 10.1701 11.7776 11.7776 12.7528 12.7528 14.3052 14.3052 k = 0.0000 0.0000 0.7453 ( 2622 PWs) bands (ev): -18.8532 -18.8532 -18.8173 -18.8173 -18.7638 -18.7638 -17.3170 -17.3170 -17.1250 -17.1250 -16.5687 -16.5687 -16.1611 -16.1611 -15.9240 -15.9240 -14.8922 -14.8922 -4.8708 -4.8708 -0.3041 -0.3041 -0.0845 -0.0845 0.0467 0.0467 0.0974 0.0974 0.7914 0.7914 0.9877 0.9877 1.2727 1.2727 1.7642 1.7642 2.1145 2.1145 2.4842 2.4842 2.6958 2.6958 10.2723 10.2723 11.7249 11.7249 12.6683 12.6683 14.2755 14.2755 k = 0.0000 0.0000 0.7608 ( 2618 PWs) bands (ev): -18.8435 -18.8435 -18.8030 -18.8030 -18.7637 -18.7637 -17.3185 -17.3185 -17.1391 -17.1391 -16.5692 -16.5692 -16.1700 -16.1700 -15.9245 -15.9245 -14.8991 -14.8991 -4.8865 -4.8865 -0.3125 -0.3125 -0.0904 -0.0904 0.0752 0.0752 0.1291 0.1291 0.7682 0.7682 0.9755 0.9755 1.2824 1.2824 1.7748 1.7748 2.1182 2.1182 2.4817 2.4817 2.7097 2.7097 10.3688 10.3688 11.6773 11.6773 12.5885 12.5885 14.2497 14.2497 k = 0.0000 0.0000 0.7763 ( 2618 PWs) bands (ev): -18.8349 -18.8349 -18.7910 -18.7910 -18.7636 -18.7636 -17.3198 -17.3198 -17.1514 -17.1514 -16.5697 -16.5697 -16.1775 -16.1775 -15.9250 -15.9250 -14.9050 -14.9050 -4.8998 -4.8998 -0.3196 -0.3196 -0.0955 -0.0955 0.1009 0.1009 0.1563 0.1563 0.7468 0.7468 0.9651 0.9651 1.2909 1.2909 1.7839 1.7839 2.1212 2.1212 2.4795 2.4795 2.7215 2.7215 10.4581 10.4581 11.6349 11.6349 12.5151 12.5151 14.2277 14.2277 k = 0.0000 0.0000 0.7918 ( 2614 PWs) bands (ev): -18.8276 -18.8276 -18.7818 -18.7818 -18.7629 -18.7629 -17.3209 -17.3209 -17.1618 -17.1618 -16.5702 -16.5702 -16.1835 -16.1835 -15.9253 -15.9253 -14.9098 -14.9098 -4.9108 -4.9108 -0.3255 -0.3255 -0.0996 -0.0996 0.1233 0.1233 0.1788 0.1788 0.7278 0.7278 0.9566 0.9566 1.2980 1.2980 1.7914 1.7914 2.1238 2.1238 2.4775 2.4775 2.7313 2.7313 10.5377 10.5377 11.5982 11.5982 12.4501 12.4501 14.2096 14.2096 k = 0.0000 0.0000 0.8074 ( 2610 PWs) bands (ev): -18.8216 -18.8216 -18.7763 -18.7763 -18.7608 -18.7608 -17.3217 -17.3217 -17.1701 -17.1701 -16.5705 -16.5705 -16.1882 -16.1882 -15.9255 -15.9255 -14.9136 -14.9136 -4.9193 -4.9193 -0.3301 -0.3301 -0.1029 -0.1029 0.1419 0.1419 0.1965 0.1965 0.7120 0.7120 0.9499 0.9499 1.3036 1.3036 1.7972 1.7972 2.1258 2.1258 2.4760 2.4760 2.7390 2.7390 10.6051 10.6051 11.5677 11.5677 12.3960 12.3960 14.1954 14.1954 k = 0.0000 0.0000 0.8229 ( 2608 PWs) bands (ev): -18.8170 -18.8170 -18.7740 -18.7740 -18.7578 -18.7578 -17.3223 -17.3223 -17.1762 -17.1762 -16.5707 -16.5707 -16.1915 -16.1915 -15.9257 -15.9257 -14.9164 -14.9164 -4.9254 -4.9254 -0.3334 -0.3334 -0.1052 -0.1052 0.1559 0.1559 0.2092 0.2092 0.7000 0.7000 0.9451 0.9451 1.3077 1.3077 1.8014 1.8014 2.1271 2.1271 2.4749 2.4749 2.7444 2.7444 10.6569 10.6569 11.5443 11.5443 12.3551 12.3551 14.1853 14.1853 k = 0.0000 0.0000 0.8384 ( 2612 PWs) bands (ev): -18.8142 -18.8142 -18.7734 -18.7734 -18.7553 -18.7553 -17.3227 -17.3227 -17.1798 -17.1798 -16.5709 -16.5709 -16.1935 -16.1935 -15.9258 -15.9258 -14.9180 -14.9180 -4.9290 -4.9290 -0.3353 -0.3353 -0.1066 -0.1066 0.1646 0.1646 0.2167 0.2167 0.6924 0.6924 0.9422 0.9422 1.3102 1.3102 1.8039 1.8039 2.1280 2.1280 2.4742 2.4742 2.7477 2.7477 10.6898 10.6898 11.5295 11.5295 12.3295 12.3295 14.1792 14.1792 k = 0.0000 0.0000 0.8540 ( 2612 PWs) bands (ev): -18.8132 -18.8132 -18.7733 -18.7733 -18.7543 -18.7543 -17.3228 -17.3228 -17.1811 -17.1811 -16.5709 -16.5709 -16.1942 -16.1942 -15.9259 -15.9259 -14.9186 -14.9186 -4.9302 -4.9302 -0.3360 -0.3360 -0.1070 -0.1070 0.1675 0.1675 0.2193 0.2193 0.6899 0.6899 0.9412 0.9412 1.3110 1.3110 1.8047 1.8047 2.1283 2.1283 2.4739 2.4739 2.7488 2.7488 10.7012 10.7012 11.5244 11.5244 12.3208 12.3208 14.1772 14.1772 k = 0.0000 0.0000 0.8540 ( 2612 PWs) bands (ev): -18.8132 -18.8132 -18.7733 -18.7733 -18.7543 -18.7543 -17.3228 -17.3228 -17.1811 -17.1811 -16.5709 -16.5709 -16.1942 -16.1942 -15.9259 -15.9259 -14.9186 -14.9186 -4.9302 -4.9302 -0.3360 -0.3360 -0.1070 -0.1070 0.1675 0.1675 0.2193 0.2193 0.6899 0.6899 0.9412 0.9412 1.3110 1.3110 1.8047 1.8047 2.1283 2.1283 2.4739 2.4739 2.7488 2.7488 10.7012 10.7012 11.5244 11.5244 12.3208 12.3208 14.1772 14.1772 k =-0.0087 0.0120 0.8540 ( 2604 PWs) bands (ev): -18.8153 -18.8153 -18.7737 -18.7737 -18.7535 -18.7535 -17.3229 -17.3229 -17.1799 -17.1799 -16.5708 -16.5708 -16.1936 -16.1936 -15.9258 -15.9258 -14.9180 -14.9180 -4.9291 -4.9291 -0.3359 -0.3359 -0.1068 -0.1068 0.1677 0.1677 0.2161 0.2161 0.6900 0.6900 0.9418 0.9418 1.3112 1.3112 1.8037 1.8037 2.1284 2.1284 2.4735 2.4735 2.7487 2.7487 10.6910 10.6910 11.5342 11.5342 12.3239 12.3239 14.1769 14.1769 k =-0.0174 0.0241 0.8540 ( 2602 PWs) bands (ev): -18.8211 -18.8211 -18.7756 -18.7756 -18.7506 -18.7506 -17.3234 -17.3234 -17.1766 -17.1766 -16.5707 -16.5707 -16.1918 -16.1918 -15.9257 -15.9257 -14.9166 -14.9166 -4.9256 -4.9256 -0.3356 -0.3356 -0.1060 -0.1060 0.1680 0.1680 0.2066 0.2066 0.6903 0.6903 0.9437 0.9437 1.3119 1.3119 1.8005 1.8005 2.1288 2.1288 2.4723 2.4723 2.7484 2.7484 10.6620 10.6620 11.5620 11.5620 12.3334 12.3334 14.1758 14.1758 k =-0.0261 0.0361 0.8540 ( 2602 PWs) bands (ev): -18.8293 -18.8293 -18.7801 -18.7801 -18.7458 -18.7458 -17.3241 -17.3241 -17.1710 -17.1710 -16.5704 -16.5704 -16.1887 -16.1887 -15.9255 -15.9255 -14.9141 -14.9141 -4.9199 -4.9199 -0.3352 -0.3352 -0.1049 -0.1049 0.1678 0.1678 0.1919 0.1919 0.6908 0.6908 0.9465 0.9465 1.3130 1.3130 1.7952 1.7952 2.1294 2.1294 2.4703 2.4703 2.7478 2.7478 10.6173 10.6173 11.6048 11.6048 12.3491 12.3491 14.1741 14.1741 k =-0.0348 0.0482 0.8540 ( 2598 PWs) bands (ev): -18.8391 -18.8391 -18.7871 -18.7871 -18.7399 -18.7399 -17.3251 -17.3251 -17.1634 -17.1634 -16.5701 -16.5701 -16.1844 -16.1844 -15.9253 -15.9253 -14.9106 -14.9106 -4.9119 -4.9119 -0.3346 -0.3346 -0.1033 -0.1033 0.1610 0.1610 0.1783 0.1783 0.6915 0.6915 0.9502 0.9502 1.3146 1.3146 1.7879 1.7879 2.1304 2.1304 2.4674 2.4674 2.7470 2.7470 10.5607 10.5607 11.6588 11.6588 12.3710 12.3710 14.1717 14.1717 k =-0.0435 0.0602 0.8540 ( 2608 PWs) bands (ev): -18.8502 -18.8502 -18.7966 -18.7966 -18.7334 -18.7334 -17.3264 -17.3264 -17.1539 -17.1539 -16.5697 -16.5697 -16.1789 -16.1789 -15.9249 -15.9249 -14.9062 -14.9062 -4.9017 -4.9017 -0.3339 -0.3339 -0.1012 -0.1012 0.1370 0.1370 0.1766 0.1766 0.6923 0.6923 0.9542 0.9542 1.3168 1.3168 1.7784 1.7784 2.1315 2.1315 2.4637 2.4637 2.7459 2.7459 10.4955 10.4955 11.7206 11.7206 12.3990 12.3990 14.1685 14.1685 k =-0.0522 0.0722 0.8540 ( 2612 PWs) bands (ev): -18.8621 -18.8621 -18.8081 -18.8081 -18.7268 -18.7268 -17.3279 -17.3279 -17.1426 -17.1426 -16.5691 -16.5691 -16.1722 -16.1722 -15.9245 -15.9245 -14.9009 -14.9009 -4.8892 -4.8892 -0.3330 -0.3330 -0.0988 -0.0988 0.1047 0.1047 0.1785 0.1785 0.6934 0.6934 0.9584 0.9584 1.3195 1.3195 1.7671 1.7671 2.1330 2.1330 2.4591 2.4591 2.7446 2.7446 10.4241 10.4241 11.7880 11.7880 12.4328 12.4328 14.1646 14.1646 k =-0.0609 0.0843 0.8540 ( 2612 PWs) bands (ev): -18.8747 -18.8747 -18.8214 -18.8214 -18.7201 -18.7201 -17.3297 -17.3297 -17.1296 -17.1296 -16.5685 -16.5685 -16.1640 -16.1640 -15.9240 -15.9240 -14.8946 -14.8946 -4.8745 -4.8745 -0.3320 -0.3320 -0.0961 -0.0961 0.0670 0.0670 0.1814 0.1814 0.6947 0.6947 0.9624 0.9624 1.3229 1.3229 1.7538 1.7538 2.1348 2.1348 2.4536 2.4536 2.7431 2.7431 10.3484 10.3484 11.8593 11.8593 12.4723 12.4723 14.1600 14.1600 k =-0.0696 0.0963 0.8540 ( 2612 PWs) bands (ev): -18.8880 -18.8880 -18.8365 -18.8365 -18.7136 -18.7136 -17.3318 -17.3318 -17.1152 -17.1152 -16.5678 -16.5678 -16.1546 -16.1546 -15.9234 -15.9234 -14.8875 -14.8875 -4.8575 -4.8575 -0.3310 -0.3310 -0.0931 -0.0931 0.0247 0.0247 0.1850 0.1850 0.6961 0.6961 0.9658 0.9658 1.3269 1.3269 1.7388 1.7388 2.1369 2.1369 2.4472 2.4472 2.7414 2.7414 10.2695 10.2695 11.9332 11.9332 12.5173 12.5173 14.1546 14.1546 k =-0.0783 0.1083 0.8540 ( 2610 PWs) bands (ev): -18.9020 -18.9020 -18.8531 -18.8531 -18.7072 -18.7072 -17.3341 -17.3341 -17.0997 -17.0997 -16.5670 -16.5670 -16.1438 -16.1438 -15.9227 -15.9227 -14.8795 -14.8795 -4.8383 -4.8383 -0.3298 -0.3298 -0.0900 -0.0900 -0.0217 -0.0217 0.1893 0.1893 0.6978 0.6978 0.9685 0.9685 1.3317 1.3317 1.7220 1.7220 2.1394 2.1394 2.4399 2.4399 2.7395 2.7395 10.1883 10.1883 12.0091 12.0091 12.5674 12.5674 14.1485 14.1485 k =-0.0869 0.1204 0.8540 ( 2610 PWs) bands (ev): -18.9165 -18.9165 -18.8711 -18.8711 -18.7010 -18.7010 -17.3367 -17.3367 -17.0831 -17.0831 -16.5662 -16.5662 -16.1317 -16.1317 -15.9218 -15.9218 -14.8707 -14.8707 -4.8169 -4.8169 -0.3287 -0.3287 -0.0882 -0.0882 -0.0703 -0.0703 0.1941 0.1941 0.6996 0.6996 0.9703 0.9703 1.3371 1.3371 1.7036 1.7036 2.1422 2.1422 2.4316 2.4316 2.7374 2.7374 10.1056 10.1056 12.0863 12.0863 12.6222 12.6222 14.1416 14.1416 k =-0.0956 0.1324 0.8540 ( 2610 PWs) bands (ev): -18.9315 -18.9315 -18.8902 -18.8902 -18.6949 -18.6949 -17.3395 -17.3395 -17.0658 -17.0658 -16.5652 -16.5652 -16.1181 -16.1181 -15.9208 -15.9208 -14.8611 -14.8611 -4.7934 -4.7934 -0.3275 -0.3275 -0.1271 -0.1271 -0.0816 -0.0816 0.1996 0.1996 0.7016 0.7016 0.9710 0.9710 1.3433 1.3433 1.6836 1.6836 2.1454 2.1454 2.4224 2.4224 2.7351 2.7351 10.0218 10.0218 12.1648 12.1648 12.6815 12.6815 14.1339 14.1339 k =-0.1043 0.1445 0.8540 ( 2606 PWs) bands (ev): -18.9470 -18.9470 -18.9104 -18.9104 -18.6890 -18.6890 -17.3425 -17.3425 -17.0480 -17.0480 -16.5643 -16.5643 -16.1032 -16.1032 -15.9196 -15.9196 -14.8507 -14.8507 -4.7677 -4.7677 -0.3264 -0.3264 -0.1836 -0.1836 -0.0783 -0.0783 0.2057 0.2057 0.7037 0.7037 0.9706 0.9706 1.3501 1.3501 1.6621 1.6621 2.1489 2.1489 2.4122 2.4122 2.7326 2.7326 9.9373 9.9373 12.2441 12.2441 12.7448 12.7448 14.1254 14.1254 k =-0.1130 0.1565 0.8540 ( 2614 PWs) bands (ev): -18.9631 -18.9631 -18.9315 -18.9315 -18.6834 -18.6834 -17.3457 -17.3457 -17.0298 -17.0298 -16.5632 -16.5632 -16.0870 -16.0870 -15.9182 -15.9182 -14.8397 -14.8397 -4.7399 -4.7399 -0.3255 -0.3255 -0.2432 -0.2432 -0.0746 -0.0746 0.2124 0.2124 0.7060 0.7060 0.9690 0.9690 1.3576 1.3576 1.6393 1.6393 2.1529 2.1529 2.4011 2.4011 2.7299 2.7299 9.8523 9.8523 12.3243 12.3243 12.8116 12.8116 14.1161 14.1161 k =-0.1217 0.1685 0.8540 ( 2612 PWs) bands (ev): -18.9795 -18.9795 -18.9533 -18.9533 -18.6778 -18.6778 -17.3491 -17.3491 -17.0114 -17.0114 -16.5621 -16.5621 -16.0694 -16.0694 -15.9165 -15.9165 -14.8280 -14.8280 -4.7101 -4.7101 -0.3270 -0.3270 -0.3033 -0.3033 -0.0710 -0.0710 0.2197 0.2197 0.7085 0.7085 0.9663 0.9663 1.3657 1.3657 1.6153 1.6153 2.1574 2.1574 2.3889 2.3889 2.7270 2.7270 9.7671 9.7671 12.4053 12.4053 12.8817 12.8817 14.1060 14.1060 k =-0.1304 0.1806 0.8540 ( 2612 PWs) bands (ev): -18.9964 -18.9964 -18.9756 -18.9756 -18.6724 -18.6724 -17.3528 -17.3528 -16.9930 -16.9930 -16.5610 -16.5610 -16.0508 -16.0508 -15.9142 -15.9142 -14.8157 -14.8157 -4.6782 -4.6782 -0.3731 -0.3731 -0.3212 -0.3212 -0.0674 -0.0674 0.2276 0.2276 0.7111 0.7111 0.9624 0.9624 1.3744 1.3744 1.5901 1.5901 2.1623 2.1623 2.3758 2.3758 2.7239 2.7239 9.6820 9.6820 12.4871 12.4871 12.9546 12.9546 14.0952 14.0952 k =-0.1304 0.1806 0.8540 ( 2612 PWs) bands (ev): -18.9964 -18.9964 -18.9756 -18.9756 -18.6724 -18.6724 -17.3528 -17.3528 -16.9930 -16.9930 -16.5610 -16.5610 -16.0508 -16.0508 -15.9142 -15.9142 -14.8157 -14.8157 -4.6782 -4.6782 -0.3731 -0.3731 -0.3212 -0.3212 -0.0674 -0.0674 0.2276 0.2276 0.7111 0.7111 0.9624 0.9624 1.3744 1.3744 1.5901 1.5901 2.1623 2.1623 2.3758 2.3758 2.7239 2.7239 9.6820 9.6820 12.4871 12.4871 12.9546 12.9546 14.0952 14.0952 k =-0.1368 0.1894 0.8431 ( 2612 PWs) bands (ev): -19.0163 -19.0163 -18.9853 -18.9853 -18.6687 -18.6687 -17.3555 -17.3555 -16.9796 -16.9796 -16.5601 -16.5601 -16.0364 -16.0364 -15.9121 -15.9121 -14.8060 -14.8060 -4.6529 -4.6529 -0.4233 -0.4233 -0.3204 -0.3204 -0.0648 -0.0648 0.2327 0.2327 0.7142 0.7142 0.9585 0.9585 1.3811 1.3811 1.5712 1.5712 2.1660 2.1660 2.3656 2.3656 2.7211 2.7211 9.6194 9.6194 12.5410 12.5410 13.0171 13.0171 14.0876 14.0876 k =-0.1432 0.1982 0.8322 ( 2616 PWs) bands (ev): -19.0434 -19.0434 -18.9888 -18.9888 -18.6651 -18.6651 -17.3581 -17.3581 -16.9662 -16.9662 -16.5592 -16.5592 -16.0216 -16.0216 -15.9095 -15.9095 -14.7953 -14.7953 -4.6252 -4.6252 -0.4780 -0.4780 -0.3180 -0.3180 -0.0621 -0.0621 0.2360 0.2360 0.7194 0.7194 0.9531 0.9531 1.3881 1.3881 1.5527 1.5527 2.1698 2.1698 2.3547 2.3547 2.7173 2.7173 9.5569 9.5569 12.5830 12.5830 13.0948 13.0948 14.0815 14.0815 k =-0.1495 0.2070 0.8213 ( 2614 PWs) bands (ev): -19.0722 -19.0722 -18.9911 -18.9911 -18.6618 -18.6618 -17.3608 -17.3608 -16.9531 -16.9531 -16.5583 -16.5583 -16.0068 -16.0068 -15.9060 -15.9060 -14.7838 -14.7838 -4.5950 -4.5950 -0.5363 -0.5363 -0.3147 -0.3147 -0.0595 -0.0595 0.2376 0.2376 0.7267 0.7267 0.9461 0.9461 1.3955 1.3955 1.5346 1.5346 2.1735 2.1735 2.3432 2.3432 2.7126 2.7126 9.4950 9.4950 12.6152 12.6152 13.1848 13.1848 14.0769 14.0769 k =-0.1559 0.2159 0.8104 ( 2614 PWs) bands (ev): -19.1018 -19.1018 -18.9929 -18.9929 -18.6586 -18.6586 -17.3634 -17.3634 -16.9404 -16.9404 -16.5573 -16.5573 -15.9924 -15.9924 -15.9014 -15.9014 -14.7713 -14.7713 -4.5625 -4.5625 -0.5982 -0.5982 -0.3107 -0.3107 -0.0571 -0.0571 0.2380 0.2380 0.7357 0.7357 0.9372 0.9372 1.4034 1.4034 1.5175 1.5175 2.1772 2.1772 2.3310 2.3310 2.7070 2.7070 9.4342 9.4342 12.6403 12.6403 13.2833 13.2833 14.0738 14.0738 k =-0.1623 0.2247 0.7995 ( 2618 PWs) bands (ev): -19.1318 -19.1318 -18.9947 -18.9947 -18.6555 -18.6555 -17.3659 -17.3659 -16.9281 -16.9281 -16.5564 -16.5564 -15.9791 -15.9791 -15.8954 -15.8954 -14.7579 -14.7579 -4.5275 -4.5275 -0.6635 -0.6635 -0.3061 -0.3061 -0.0549 -0.0549 0.2373 0.2373 0.7461 0.7461 0.9265 0.9265 1.4119 1.4119 1.5014 1.5014 2.1809 2.1809 2.3181 2.3181 2.7005 2.7005 9.3748 9.3748 12.6607 12.6607 13.3870 13.3870 14.0725 14.0725 k =-0.1686 0.2335 0.7887 ( 2616 PWs) bands (ev): -19.1618 -19.1618 -18.9963 -18.9963 -18.6526 -18.6526 -17.3684 -17.3684 -16.9164 -16.9164 -16.5554 -16.5554 -15.9674 -15.9674 -15.8874 -15.8874 -14.7437 -14.7437 -4.4901 -4.4901 -0.7321 -0.7321 -0.3009 -0.3009 -0.0531 -0.0531 0.2361 0.2361 0.7578 0.7578 0.9138 0.9138 1.4208 1.4208 1.4867 1.4867 2.1846 2.1846 2.3046 2.3046 2.6933 2.6933 9.3171 9.3171 12.6781 12.6781 13.4933 13.4933 14.0734 14.0734 k =-0.1750 0.2423 0.7778 ( 2614 PWs) bands (ev): -19.1917 -19.1917 -18.9978 -18.9978 -18.6498 -18.6498 -17.3709 -17.3709 -16.9053 -16.9053 -16.5544 -16.5544 -15.9578 -15.9578 -15.8773 -15.8773 -14.7287 -14.7287 -4.4503 -4.4503 -0.8037 -0.8037 -0.2952 -0.2952 -0.0517 -0.0517 0.2344 0.2344 0.7704 0.7704 0.8994 0.8994 1.4301 1.4301 1.4738 1.4738 2.1883 2.1883 2.2904 2.2904 2.6853 2.6853 9.2612 9.2612 12.6935 12.6935 13.5996 13.5996 14.0774 14.0774 k =-0.1814 0.2511 0.7669 ( 2616 PWs) bands (ev): -19.2213 -19.2213 -18.9993 -18.9993 -18.6472 -18.6472 -17.3732 -17.3732 -16.8949 -16.8949 -16.5534 -16.5534 -15.9502 -15.9502 -15.8651 -15.8651 -14.7129 -14.7129 -4.4080 -4.4080 -0.8784 -0.8784 -0.2890 -0.2890 -0.0509 -0.0509 0.2327 0.2327 0.7836 0.7836 0.8832 0.8832 1.4384 1.4384 1.4639 1.4639 2.1921 2.1921 2.2755 2.2755 2.6767 2.6767 9.2075 9.2075 12.7075 12.7075 13.7029 13.7029 14.0862 14.0862 k =-0.1878 0.2600 0.7560 ( 2616 PWs) bands (ev): -19.2504 -19.2504 -19.0008 -19.0008 -18.6447 -18.6447 -17.3755 -17.3755 -16.8851 -16.8851 -16.5524 -16.5524 -15.9445 -15.9445 -15.8514 -15.8514 -14.6966 -14.6966 -4.3632 -4.3632 -0.9559 -0.9559 -0.2823 -0.2823 -0.0506 -0.0506 0.2312 0.2312 0.7973 0.7973 0.8656 0.8656 1.4402 1.4402 1.4625 1.4625 2.1958 2.1958 2.2601 2.2601 2.6675 2.6675 9.1560 9.1560 12.7206 12.7206 13.7983 13.7983 14.1038 14.1038 k =-0.1941 0.2688 0.7451 ( 2620 PWs) bands (ev): -19.2789 -19.2789 -19.0022 -19.0022 -18.6423 -18.6423 -17.3778 -17.3778 -16.8760 -16.8760 -16.5515 -16.5515 -15.9402 -15.9402 -15.8368 -15.8368 -14.6797 -14.6797 -4.3160 -4.3160 -1.0361 -1.0361 -0.2752 -0.2752 -0.0510 -0.0510 0.2299 0.2299 0.8109 0.8109 0.8470 0.8470 1.4339 1.4339 1.4712 1.4712 2.1996 2.1996 2.2440 2.2440 2.6578 2.6578 9.1069 9.1069 12.7329 12.7329 13.8780 13.8780 14.1372 14.1372 k =-0.2005 0.2776 0.7342 ( 2618 PWs) bands (ev): -19.3066 -19.3066 -19.0035 -19.0035 -18.6400 -18.6400 -17.3799 -17.3799 -16.8675 -16.8675 -16.5505 -16.5505 -15.9369 -15.9369 -15.8217 -15.8217 -14.6623 -14.6623 -4.2664 -4.2664 -1.1187 -1.1187 -0.2677 -0.2677 -0.0520 -0.0520 0.2292 0.2292 0.8208 0.8208 0.8312 0.8312 1.4261 1.4261 1.4834 1.4834 2.2034 2.2034 2.2274 2.2274 2.6476 2.6476 9.0602 9.0602 12.7447 12.7447 13.9335 13.9335 14.1942 14.1942 k =-0.2069 0.2864 0.7234 ( 2618 PWs) bands (ev): -19.3334 -19.3334 -19.0048 -19.0048 -18.6378 -18.6378 -17.3820 -17.3820 -16.8597 -16.8597 -16.5496 -16.5496 -15.9342 -15.9342 -15.8066 -15.8066 -14.6446 -14.6446 -4.2143 -4.2143 -1.2036 -1.2036 -0.2600 -0.2600 -0.0536 -0.0536 0.2289 0.2289 0.8046 0.8046 0.8406 0.8406 1.4186 1.4186 1.4970 1.4970 2.2072 2.2072 2.2104 2.2104 2.6372 2.6372 9.0160 9.0160 12.7560 12.7560 13.9660 13.9660 14.2732 14.2732 k =-0.2133 0.2953 0.7125 ( 2608 PWs) bands (ev): -19.3592 -19.3592 -19.0060 -19.0060 -18.6358 -18.6358 -17.3840 -17.3840 -16.8525 -16.8525 -16.5487 -16.5487 -15.9321 -15.9321 -15.7918 -15.7918 -14.6268 -14.6268 -4.1599 -4.1599 -1.2905 -1.2905 -0.2519 -0.2519 -0.0558 -0.0558 0.2293 0.2293 0.7838 0.7838 0.8541 0.8541 1.4118 1.4118 1.5115 1.5115 2.1927 2.1927 2.2112 2.2112 2.6264 2.6264 8.9744 8.9744 12.7668 12.7668 13.9841 13.9841 14.3649 14.3649 k =-0.2196 0.3041 0.7016 ( 2609 PWs) bands (ev): -19.3839 -19.3839 -19.0071 -19.0071 -18.6338 -18.6338 -17.3858 -17.3858 -16.8459 -16.8459 -16.5478 -16.5478 -15.9303 -15.9303 -15.7775 -15.7775 -14.6089 -14.6089 -4.1032 -4.1032 -1.3791 -1.3791 -0.2438 -0.2438 -0.0585 -0.0585 0.2302 0.2302 0.7624 0.7624 0.8674 0.8674 1.4057 1.4057 1.5267 1.5267 2.1747 2.1747 2.2151 2.2151 2.6155 2.6155 8.9353 8.9353 12.7771 12.7771 13.9948 13.9948 14.4619 14.4619 k =-0.2260 0.3129 0.6907 ( 2609 PWs) bands (ev): -19.4074 -19.4074 -19.0082 -19.0082 -18.6320 -18.6320 -17.3876 -17.3876 -16.8399 -16.8399 -16.5470 -16.5470 -15.9288 -15.9288 -15.7638 -15.7638 -14.5912 -14.5912 -4.0443 -4.0443 -1.4692 -1.4692 -0.2355 -0.2355 -0.0615 -0.0615 0.2316 0.2316 0.7411 0.7411 0.8804 0.8804 1.4003 1.4003 1.5425 1.5425 2.1563 2.1563 2.2191 2.2191 2.6045 2.6045 8.8988 8.8988 12.7869 12.7869 14.0018 14.0018 14.5601 14.5601 k =-0.2324 0.3217 0.6798 ( 2605 PWs) bands (ev): -19.4296 -19.4296 -19.0093 -19.0093 -18.6303 -18.6303 -17.3893 -17.3893 -16.8344 -16.8344 -16.5462 -16.5462 -15.9275 -15.9275 -15.7509 -15.7509 -14.5738 -14.5738 -3.9831 -3.9831 -1.5605 -1.5605 -0.2272 -0.2272 -0.0648 -0.0648 0.2335 0.2335 0.7200 0.7200 0.8929 0.8929 1.3955 1.3955 1.5590 1.5590 2.1376 2.1376 2.2231 2.2231 2.5935 2.5935 8.8649 8.8649 12.7962 12.7962 14.0067 14.0067 14.6573 14.6573 k =-0.2387 0.3305 0.6689 ( 2605 PWs) bands (ev): -19.4504 -19.4504 -19.0102 -19.0102 -18.6287 -18.6287 -17.3909 -17.3909 -16.8294 -16.8294 -16.5455 -16.5455 -15.9264 -15.9264 -15.7389 -15.7389 -14.5569 -14.5569 -3.9200 -3.9200 -1.6526 -1.6526 -0.2190 -0.2190 -0.0682 -0.0682 0.2358 0.2358 0.6994 0.6994 0.9048 0.9048 1.3912 1.3912 1.5758 1.5758 2.1186 2.1186 2.2271 2.2271 2.5826 2.5826 8.8335 8.8335 12.8049 12.8049 14.0103 14.0103 14.7521 14.7521 k =-0.2451 0.3394 0.6581 ( 2607 PWs) bands (ev): -19.4698 -19.4698 -19.0111 -19.0111 -18.6273 -18.6273 -17.3923 -17.3923 -16.8249 -16.8249 -16.5448 -16.5448 -15.9254 -15.9254 -15.7278 -15.7278 -14.5405 -14.5405 -3.8550 -3.8550 -1.7451 -1.7451 -0.2110 -0.2110 -0.0717 -0.0717 0.2382 0.2382 0.6796 0.6796 0.9160 0.9160 1.3875 1.3875 1.5930 1.5930 2.0995 2.0995 2.2310 2.2310 2.5720 2.5720 8.8048 8.8048 12.8131 12.8131 14.0132 14.0132 14.8436 14.8436 k =-0.2515 0.3482 0.6472 ( 2611 PWs) bands (ev): -19.4877 -19.4877 -19.0120 -19.0120 -18.6259 -18.6259 -17.3937 -17.3937 -16.8209 -16.8209 -16.5442 -16.5442 -15.9246 -15.9246 -15.7177 -15.7177 -14.5250 -14.5250 -3.7883 -3.7883 -1.8377 -1.8377 -0.2033 -0.2033 -0.0751 -0.0751 0.2409 0.2409 0.6606 0.6606 0.9265 0.9265 1.3841 1.3841 1.6105 1.6105 2.0803 2.0803 2.2349 2.2349 2.5616 2.5616 8.7786 8.7786 12.8206 12.8206 14.0156 14.0156 14.9310 14.9310 k =-0.2579 0.3570 0.6363 ( 2609 PWs) bands (ev): -19.5041 -19.5041 -19.0127 -19.0127 -18.6247 -18.6247 -17.3949 -17.3949 -16.8173 -16.8173 -16.5436 -16.5436 -15.9238 -15.9238 -15.7085 -15.7085 -14.5104 -14.5104 -3.7203 -3.7203 -1.9298 -1.9298 -0.1960 -0.1960 -0.0783 -0.0783 0.2436 0.2436 0.6428 0.6428 0.9361 0.9361 1.3812 1.3812 1.6282 1.6282 2.0612 2.0612 2.2387 2.2387 2.5517 2.5517 8.7550 8.7550 12.8275 12.8275 14.0176 14.0176 15.0135 15.0135 k =-0.2642 0.3658 0.6254 ( 2607 PWs) bands (ev): -19.5189 -19.5189 -19.0134 -19.0134 -18.6237 -18.6237 -17.3960 -17.3960 -16.8142 -16.8142 -16.5431 -16.5431 -15.9232 -15.9232 -15.7003 -15.7003 -14.4969 -14.4969 -3.6513 -3.6513 -2.0209 -2.0209 -0.1892 -0.1892 -0.0811 -0.0811 0.2462 0.2462 0.6262 0.6262 0.9449 0.9449 1.3787 1.3787 1.6458 1.6458 2.0422 2.0422 2.2425 2.2425 2.5424 2.5424 8.7339 8.7339 12.8337 12.8337 14.0192 14.0192 15.0904 15.0904 k =-0.2706 0.3747 0.6145 ( 2609 PWs) bands (ev): -19.5320 -19.5320 -19.0140 -19.0140 -18.6227 -18.6227 -17.3970 -17.3970 -16.8115 -16.8115 -16.5426 -16.5426 -15.9226 -15.9226 -15.6931 -15.6931 -14.4847 -14.4847 -3.5819 -3.5819 -2.1102 -2.1102 -0.1831 -0.1831 -0.0836 -0.0836 0.2488 0.2488 0.6112 0.6112 0.9527 0.9527 1.3765 1.3765 1.6632 1.6632 2.0236 2.0236 2.2460 2.2460 2.5337 2.5337 8.7153 8.7153 12.8393 12.8393 14.0206 14.0206 15.1610 15.1610 k =-0.2770 0.3835 0.6036 ( 2607 PWs) bands (ev): -19.5434 -19.5434 -19.0145 -19.0145 -18.6219 -18.6219 -17.3978 -17.3978 -16.8091 -16.8091 -16.5422 -16.5422 -15.9221 -15.9221 -15.6868 -15.6868 -14.4738 -14.4738 -3.5129 -3.5129 -2.1968 -2.1968 -0.1777 -0.1777 -0.0856 -0.0856 0.2512 0.2512 0.5977 0.5977 0.9596 0.9596 1.3746 1.3746 1.6803 1.6803 2.0056 2.0056 2.2492 2.2492 2.5258 2.5258 8.6993 8.6993 12.8441 12.8441 14.0218 14.0218 15.2245 15.2245 k =-0.2833 0.3923 0.5928 ( 2602 PWs) bands (ev): -19.5531 -19.5531 -19.0150 -19.0150 -18.6211 -18.6211 -17.3986 -17.3986 -16.8072 -16.8072 -16.5419 -16.5419 -15.9217 -15.9217 -15.6816 -15.6816 -14.4644 -14.4644 -3.4456 -3.4456 -2.2792 -2.2792 -0.1731 -0.1731 -0.0872 -0.0872 0.2533 0.2533 0.5860 0.5860 0.9655 0.9655 1.3731 1.3731 1.6966 1.6966 1.9884 1.9884 2.2522 2.2522 2.5188 2.5188 8.6857 8.6857 12.8482 12.8482 14.0228 14.0228 15.2800 15.2800 k =-0.2897 0.4011 0.5819 ( 2602 PWs) bands (ev): -19.5611 -19.5611 -19.0153 -19.0153 -18.6206 -18.6206 -17.3992 -17.3992 -16.8056 -16.8056 -16.5416 -16.5416 -15.9214 -15.9214 -15.6773 -15.6773 -14.4565 -14.4565 -3.3816 -3.3816 -2.3558 -2.3558 -0.1694 -0.1694 -0.0884 -0.0884 0.2551 0.2551 0.5762 0.5762 0.9704 0.9704 1.3718 1.3718 1.7116 1.7116 1.9727 1.9727 2.2547 2.2547 2.5129 2.5129 8.6746 8.6746 12.8516 12.8516 14.0236 14.0236 15.3269 15.3269 k =-0.2961 0.4099 0.5710 ( 2602 PWs) bands (ev): -19.5674 -19.5674 -19.0156 -19.0156 -18.6201 -18.6201 -17.3996 -17.3996 -16.8044 -16.8044 -16.5413 -16.5413 -15.9211 -15.9211 -15.6739 -15.6739 -14.4503 -14.4503 -3.3238 -3.3238 -2.4234 -2.4234 -0.1666 -0.1666 -0.0892 -0.0892 0.2565 0.2565 0.5685 0.5685 0.9742 0.9742 1.3709 1.3709 1.7249 1.7249 1.9589 1.9589 2.2568 2.2568 2.5082 2.5082 8.6660 8.6660 12.8542 12.8542 14.0242 14.0242 15.3642 15.3642 k =-0.3025 0.4188 0.5601 ( 2598 PWs) bands (ev): -19.5718 -19.5718 -19.0158 -19.0158 -18.6198 -18.6198 -17.4000 -17.4000 -16.8035 -16.8035 -16.5412 -16.5412 -15.9210 -15.9210 -15.6716 -15.6716 -14.4459 -14.4459 -3.2761 -3.2761 -2.4781 -2.4781 -0.1646 -0.1646 -0.0896 -0.0896 0.2576 0.2576 0.5629 0.5629 0.9769 0.9769 1.3702 1.3702 1.7355 1.7355 1.9479 1.9479 2.2584 2.2584 2.5048 2.5048 8.6599 8.6599 12.8561 12.8561 14.0246 14.0246 15.3915 15.3915 k =-0.3088 0.4276 0.5492 ( 2606 PWs) bands (ev): -19.5745 -19.5745 -19.0160 -19.0160 -18.6196 -18.6196 -17.4002 -17.4002 -16.8030 -16.8030 -16.5411 -16.5411 -15.9209 -15.9209 -15.6702 -15.6702 -14.4432 -14.4432 -3.2440 -3.2440 -2.5146 -2.5146 -0.1634 -0.1634 -0.0899 -0.0899 0.2582 0.2582 0.5595 0.5595 0.9785 0.9785 1.3698 1.3698 1.7425 1.7425 1.9407 1.9407 2.2593 2.2593 2.5026 2.5026 8.6562 8.6562 12.8572 12.8572 14.0249 14.0249 15.4081 15.4081 k =-0.3152 0.4364 0.5383 ( 2604 PWs) bands (ev): -19.5754 -19.5754 -19.0160 -19.0160 -18.6195 -18.6195 -17.4002 -17.4002 -16.8028 -16.8028 -16.5411 -16.5411 -15.9208 -15.9208 -15.6697 -15.6697 -14.4423 -14.4423 -3.2325 -3.2325 -2.5275 -2.5275 -0.1630 -0.1630 -0.0900 -0.0900 0.2584 0.2584 0.5584 0.5584 0.9791 0.9791 1.3697 1.3697 1.7449 1.7449 1.9381 1.9381 2.2597 2.2597 2.5019 2.5019 8.6550 8.6550 12.8576 12.8576 14.0250 14.0250 15.4136 15.4136 k =-0.3152 0.4364 0.5383 ( 2604 PWs) bands (ev): -19.5754 -19.5754 -19.0160 -19.0160 -18.6195 -18.6195 -17.4002 -17.4002 -16.8028 -16.8028 -16.5411 -16.5411 -15.9208 -15.9208 -15.6697 -15.6697 -14.4423 -14.4423 -3.2325 -3.2325 -2.5275 -2.5275 -0.1630 -0.1630 -0.0900 -0.0900 0.2584 0.2584 0.5584 0.5584 0.9791 0.9791 1.3697 1.3697 1.7449 1.7449 1.9381 1.9381 2.2597 2.2597 2.5019 2.5019 8.6550 8.6550 12.8576 12.8576 14.0250 14.0250 15.4136 15.4136 k =-0.3088 0.4275 0.5274 ( 2608 PWs) bands (ev): -19.5747 -19.5747 -18.9909 -18.9909 -18.6249 -18.6249 -17.3939 -17.3939 -16.8113 -16.8113 -16.5418 -16.5418 -15.9219 -15.9219 -15.6970 -15.6970 -14.4438 -14.4438 -3.2446 -3.2446 -2.5202 -2.5202 -0.1505 -0.1505 -0.0911 -0.0911 0.2448 0.2448 0.5574 0.5574 0.9934 0.9934 1.3939 1.3939 1.7481 1.7481 1.9519 1.9519 2.2397 2.2397 2.4921 2.4921 8.7128 8.7128 12.7651 12.7651 14.0709 14.0709 15.3893 15.3893 k =-0.3023 0.4186 0.5164 ( 2609 PWs) bands (ev): -19.5740 -19.5740 -18.9671 -18.9671 -18.6307 -18.6307 -17.3875 -17.3875 -16.8196 -16.8196 -16.5425 -16.5425 -15.9230 -15.9230 -15.7218 -15.7218 -14.4452 -14.4452 -3.2554 -3.2554 -2.5132 -2.5132 -0.1494 -0.1494 -0.0832 -0.0832 0.2332 0.2332 0.5566 0.5566 1.0081 1.0081 1.4163 1.4163 1.7510 1.7510 1.9659 1.9659 2.2195 2.2195 2.4816 2.4816 8.7659 8.7659 12.6790 12.6790 14.1187 14.1187 15.3667 15.3667 k =-0.2959 0.4097 0.5054 ( 2613 PWs) bands (ev): -19.5734 -19.5734 -18.9448 -18.9448 -18.6371 -18.6371 -17.3810 -17.3810 -16.8276 -16.8276 -16.5431 -16.5431 -15.9241 -15.9241 -15.7440 -15.7440 -14.4465 -14.4465 -3.2651 -3.2651 -2.5067 -2.5067 -0.1586 -0.1586 -0.0672 -0.0672 0.2235 0.2235 0.5560 0.5560 1.0232 1.0232 1.4367 1.4367 1.7535 1.7535 1.9803 1.9803 2.1990 2.1990 2.4704 2.4704 8.8131 8.8131 12.6007 12.6007 14.1681 14.1681 15.3457 15.3457 k =-0.2895 0.4008 0.4944 ( 2613 PWs) bands (ev): -19.5728 -19.5728 -18.9241 -18.9241 -18.6440 -18.6440 -17.3744 -17.3744 -16.8350 -16.8350 -16.5437 -16.5437 -15.9253 -15.9253 -15.7633 -15.7633 -14.4476 -14.4476 -3.2735 -3.2735 -2.5006 -2.5006 -0.1736 -0.1736 -0.0476 -0.0476 0.2159 0.2159 0.5556 0.5556 1.0386 1.0386 1.4551 1.4551 1.7556 1.7556 1.9948 1.9948 2.1783 2.1783 2.4584 2.4584 8.8532 8.8532 12.5315 12.5315 14.2191 14.2191 15.3266 15.3266 k =-0.2830 0.3919 0.4834 ( 2617 PWs) bands (ev): -19.5722 -19.5722 -18.9052 -18.9052 -18.6516 -18.6516 -17.3678 -17.3678 -16.8417 -16.8417 -16.5442 -16.5442 -15.9265 -15.9265 -15.7796 -15.7796 -14.4486 -14.4486 -3.2807 -3.2807 -2.4949 -2.4949 -0.1923 -0.1923 -0.0266 -0.0266 0.2102 0.2102 0.5555 0.5555 1.0543 1.0543 1.4713 1.4713 1.7573 1.7573 2.0097 2.0097 2.1574 2.1574 2.4458 2.4458 8.8848 8.8848 12.4727 12.4727 14.2715 14.2715 15.3095 15.3095 k =-0.2766 0.3830 0.4724 ( 2617 PWs) bands (ev): -19.5717 -19.5717 -18.8881 -18.8881 -18.6602 -18.6602 -17.3611 -17.3611 -16.8475 -16.8475 -16.5447 -16.5447 -15.9277 -15.9277 -15.7930 -15.7930 -14.4495 -14.4495 -3.2866 -3.2866 -2.4897 -2.4897 -0.2134 -0.2134 -0.0050 -0.0050 0.2065 0.2065 0.5556 0.5556 1.0702 1.0702 1.4853 1.4853 1.7588 1.7588 2.0248 2.0248 2.1365 2.1365 2.4324 2.4324 8.9069 8.9069 12.4255 12.4255 14.3254 14.3254 15.2945 15.2945 k =-0.2702 0.3741 0.4614 ( 2627 PWs) bands (ev): -19.5711 -19.5711 -18.8729 -18.8729 -18.6697 -18.6697 -17.3544 -17.3544 -16.8522 -16.8522 -16.5452 -16.5452 -15.9288 -15.9288 -15.8035 -15.8035 -14.4503 -14.4503 -3.2912 -3.2912 -2.4851 -2.4851 -0.2365 -0.2365 0.0169 0.0169 0.2045 0.2045 0.5559 0.5559 1.0862 1.0862 1.4966 1.4966 1.7604 1.7604 2.0400 2.0400 2.1154 2.1154 2.4182 2.4182 8.9183 8.9183 12.3910 12.3910 14.3807 14.3807 15.2816 15.2816 k =-0.2637 0.3652 0.4505 ( 2635 PWs) bands (ev): -19.5707 -19.5707 -18.8596 -18.8596 -18.6804 -18.6804 -17.3477 -17.3477 -16.8557 -16.8557 -16.5455 -16.5455 -15.9297 -15.9297 -15.8109 -15.8109 -14.4509 -14.4509 -3.2946 -3.2946 -2.4810 -2.4810 -0.2613 -0.2613 0.0388 0.0388 0.2042 0.2042 0.5564 0.5564 1.1025 1.1025 1.5048 1.5048 1.7624 1.7624 2.0555 2.0555 2.0942 2.0942 2.4033 2.4033 8.9182 8.9182 12.3699 12.3699 14.4372 14.4372 15.2710 15.2710 k =-0.2573 0.3563 0.4395 ( 2633 PWs) bands (ev): -19.5702 -19.5702 -18.8482 -18.8482 -18.6925 -18.6925 -17.3409 -17.3409 -16.8579 -16.8579 -16.5458 -16.5458 -15.9303 -15.9303 -15.8154 -15.8154 -14.4515 -14.4515 -3.2967 -3.2967 -2.4774 -2.4774 -0.2873 -0.2873 0.0607 0.0607 0.2054 0.2054 0.5572 0.5572 1.1189 1.1189 1.5095 1.5095 1.7652 1.7652 2.0711 2.0711 2.0731 2.0731 2.3876 2.3876 8.9063 8.9063 12.3626 12.3626 14.4948 14.4948 15.2629 15.2629 k =-0.2509 0.3474 0.4285 ( 2629 PWs) bands (ev): -19.5698 -19.5698 -18.8386 -18.8386 -18.7060 -18.7060 -17.3341 -17.3341 -16.8587 -16.8587 -16.5460 -16.5460 -15.9306 -15.9306 -15.8171 -15.8171 -14.4519 -14.4519 -3.2974 -3.2974 -2.4745 -2.4745 -0.3144 -0.3144 0.0826 0.0826 0.2080 0.2080 0.5583 0.5583 1.1353 1.1353 1.5101 1.5101 1.7696 1.7696 2.0519 2.0519 2.0869 2.0869 2.3711 2.3711 8.8823 8.8823 12.3694 12.3694 14.5534 14.5534 15.2574 15.2574 k =-0.2444 0.3384 0.4175 ( 2629 PWs) bands (ev): -19.5694 -19.5694 -18.8307 -18.8307 -18.7209 -18.7209 -17.3274 -17.3274 -16.8581 -16.8581 -16.5462 -16.5462 -15.9305 -15.9305 -15.8159 -15.8159 -14.4522 -14.4522 -3.2968 -3.2968 -2.4721 -2.4721 -0.3424 -0.3424 0.1043 0.1043 0.2119 0.2119 0.5596 0.5596 1.1518 1.1518 1.5061 1.5061 1.7758 1.7758 2.0308 2.0308 2.1028 2.1028 2.3539 2.3539 8.8465 8.8465 12.3898 12.3898 14.6127 14.6127 15.2546 15.2546 k =-0.2380 0.3295 0.4065 ( 2627 PWs) bands (ev): -19.5691 -19.5691 -18.8246 -18.8246 -18.7375 -18.7375 -17.3206 -17.3206 -16.8561 -16.8561 -16.5463 -16.5463 -15.9300 -15.9300 -15.8118 -15.8118 -14.4524 -14.4524 -3.2949 -3.2949 -2.4703 -2.4703 -0.3710 -0.3710 0.1258 0.1258 0.2170 0.2170 0.5611 0.5611 1.1683 1.1683 1.4971 1.4971 1.7842 1.7842 2.0097 2.0097 2.1188 2.1188 2.3359 2.3359 8.7996 8.7996 12.4233 12.4233 14.6725 14.6725 15.2550 15.2550 k =-0.2316 0.3206 0.3955 ( 2629 PWs) bands (ev): -19.5688 -19.5688 -18.8203 -18.8203 -18.7553 -18.7553 -17.3139 -17.3139 -16.8528 -16.8528 -16.5463 -16.5463 -15.9293 -15.9293 -15.8048 -15.8048 -14.4525 -14.4525 -3.2917 -3.2917 -2.4691 -2.4691 -0.4000 -0.4000 0.1471 0.1471 0.2232 0.2232 0.5629 0.5629 1.1848 1.1848 1.4833 1.4833 1.7949 1.7949 1.9888 1.9888 2.1349 2.1349 2.3172 2.3172 8.7424 8.7424 12.4690 12.4690 14.7322 14.7322 15.2587 15.2587 k =-0.2251 0.3117 0.3845 ( 2637 PWs) bands (ev): -19.5686 -19.5686 -18.8183 -18.8183 -18.7738 -18.7738 -17.3073 -17.3073 -16.8482 -16.8482 -16.5463 -16.5463 -15.9284 -15.9284 -15.7949 -15.7949 -14.4525 -14.4525 -3.2871 -3.2871 -2.4684 -2.4684 -0.4294 -0.4294 0.1680 0.1680 0.2305 0.2305 0.5649 0.5649 1.2012 1.2012 1.4644 1.4644 1.8078 1.8078 1.9680 1.9680 2.1510 2.1510 2.2977 2.2977 8.6760 8.6760 12.5258 12.5258 14.7915 14.7915 15.2664 15.2664 k =-0.2187 0.3028 0.3735 ( 2635 PWs) bands (ev): -19.5684 -19.5684 -18.8211 -18.8211 -18.7904 -18.7904 -17.3007 -17.3007 -16.8426 -16.8426 -16.5462 -16.5462 -15.9274 -15.9274 -15.7820 -15.7820 -14.4524 -14.4524 -3.2811 -3.2811 -2.4684 -2.4684 -0.4590 -0.4590 0.1886 0.1886 0.2390 0.2390 0.5671 0.5671 1.2175 1.2175 1.4409 1.4409 1.8229 1.8229 1.9474 1.9474 2.1672 2.1672 2.2775 2.2775 8.6014 8.6014 12.5925 12.5925 14.8493 14.8493 15.2787 15.2787 k =-0.2123 0.2939 0.3626 ( 2631 PWs) bands (ev): -19.5682 -19.5682 -18.8342 -18.8342 -18.7993 -18.7993 -17.2942 -17.2942 -16.8361 -16.8361 -16.5460 -16.5460 -15.9263 -15.9263 -15.7661 -15.7661 -14.4521 -14.4521 -3.2738 -3.2738 -2.4689 -2.4689 -0.4887 -0.4887 0.2086 0.2086 0.2486 0.2486 0.5696 0.5696 1.2336 1.2336 1.4130 1.4130 1.8398 1.8398 1.9270 1.9270 2.1834 2.1834 2.2566 2.2566 8.5200 8.5200 12.6678 12.6678 14.9049 14.9049 15.2964 15.2964 k =-0.2059 0.2850 0.3516 ( 2629 PWs) bands (ev): -19.5681 -19.5681 -18.8559 -18.8559 -18.8019 -18.8019 -17.2877 -17.2877 -16.8288 -16.8288 -16.5458 -16.5458 -15.9253 -15.9253 -15.7473 -15.7473 -14.4517 -14.4517 -3.2651 -3.2651 -2.4699 -2.4699 -0.5183 -0.5183 0.2279 0.2279 0.2595 0.2595 0.5722 0.5722 1.2496 1.2496 1.3808 1.3808 1.8584 1.8584 1.9069 1.9069 2.1995 2.1995 2.2349 2.2349 8.4329 8.4329 12.7504 12.7504 14.9570 14.9570 15.3206 15.3206 k =-0.1994 0.2761 0.3406 ( 2631 PWs) bands (ev): -19.5680 -19.5680 -18.8813 -18.8813 -18.8029 -18.8029 -17.2814 -17.2814 -16.8210 -16.8210 -16.5456 -16.5456 -15.9243 -15.9243 -15.7256 -15.7256 -14.4513 -14.4513 -3.2550 -3.2550 -2.4714 -2.4714 -0.5479 -0.5479 0.2460 0.2460 0.2720 0.2720 0.5750 0.5750 1.2652 1.2652 1.3448 1.3448 1.8784 1.8784 1.8870 1.8870 2.2125 2.2125 2.2156 2.2156 8.3412 8.3412 12.8393 12.8393 15.0044 15.0044 15.3523 15.3523 k =-0.1930 0.2672 0.3296 ( 2635 PWs) bands (ev): -19.5680 -19.5680 -18.9087 -18.9087 -18.8037 -18.8037 -17.2751 -17.2751 -16.8128 -16.8128 -16.5453 -16.5453 -15.9233 -15.9233 -15.7013 -15.7013 -14.4506 -14.4506 -3.2435 -3.2435 -2.4735 -2.4735 -0.5772 -0.5772 0.2629 0.2629 0.2861 0.2861 0.5780 0.5780 1.2799 1.2799 1.3060 1.3060 1.8674 1.8674 1.8997 1.8997 2.1897 2.1897 2.2316 2.2316 8.2460 8.2460 12.9333 12.9333 15.0463 15.0463 15.3920 15.3920 k =-0.1866 0.2583 0.3186 ( 2637 PWs) bands (ev): -19.5681 -19.5681 -18.9374 -18.9374 -18.8047 -18.8047 -17.2689 -17.2689 -16.8045 -16.8045 -16.5449 -16.5449 -15.9225 -15.9225 -15.6745 -15.6745 -14.4499 -14.4499 -3.2307 -3.2307 -2.4760 -2.4760 -0.6063 -0.6063 0.2784 0.2784 0.3019 0.3019 0.5812 0.5812 1.2604 1.2604 1.2976 1.2976 1.8481 1.8481 1.9221 1.9221 2.1661 2.1661 2.2475 2.2475 8.1481 8.1481 13.0313 13.0313 15.0827 15.0827 15.4396 15.4396 k =-0.1801 0.2494 0.3076 ( 2641 PWs) bands (ev): -19.5682 -19.5682 -18.9671 -18.9671 -18.8060 -18.8060 -17.2629 -17.2629 -16.7960 -16.7960 -16.5445 -16.5445 -15.9216 -15.9216 -15.6453 -15.6453 -14.4490 -14.4490 -3.2164 -3.2164 -2.4789 -2.4789 -0.6349 -0.6349 0.2932 0.2932 0.3186 0.3186 0.5845 0.5845 1.2144 1.2144 1.3120 1.3120 1.8292 1.8292 1.9455 1.9455 2.1419 2.1419 2.2632 2.2632 8.0486 8.0486 13.1324 13.1324 15.1140 15.1140 15.4941 15.4941 k =-0.1737 0.2405 0.2966 ( 2641 PWs) bands (ev): -19.5684 -19.5684 -18.9975 -18.9975 -18.8075 -18.8075 -17.2570 -17.2570 -16.7877 -16.7877 -16.5441 -16.5441 -15.9208 -15.9208 -15.6141 -15.6141 -14.4479 -14.4479 -3.2008 -3.2008 -2.4823 -2.4823 -0.6632 -0.6632 0.3078 0.3078 0.3357 0.3357 0.5879 0.5879 1.1651 1.1651 1.3267 1.3267 1.8108 1.8108 1.9698 1.9698 2.1172 2.1172 2.2788 2.2788 7.9480 7.9480 13.2358 13.2358 15.1413 15.1413 15.5540 15.5540 k =-0.1673 0.2316 0.2857 ( 2637 PWs) bands (ev): -19.5686 -19.5686 -19.0285 -19.0285 -18.8093 -18.8093 -17.2512 -17.2512 -16.7795 -16.7795 -16.5437 -16.5437 -15.9201 -15.9201 -15.5811 -15.5811 -14.4467 -14.4467 -3.1838 -3.1838 -2.4860 -2.4860 -0.6909 -0.6909 0.3225 0.3225 0.3526 0.3526 0.5914 0.5914 1.1130 1.1130 1.3410 1.3410 1.7927 1.7927 1.9949 1.9949 2.0921 2.0921 2.2942 2.2942 7.8472 7.8472 13.3405 13.3405 15.1655 15.1655 15.6177 15.6177 k =-0.1608 0.2227 0.2747 ( 2633 PWs) bands (ev): -19.5690 -19.5690 -19.0596 -19.0596 -18.8112 -18.8112 -17.2455 -17.2455 -16.7715 -16.7715 -16.5432 -16.5432 -15.9194 -15.9194 -15.5465 -15.5465 -14.4453 -14.4453 -3.1654 -3.1654 -2.4900 -2.4900 -0.7181 -0.7181 0.3375 0.3375 0.3691 0.3691 0.5950 0.5950 1.0584 1.0584 1.3551 1.3551 1.7751 1.7751 2.0207 2.0207 2.0664 2.0664 2.3093 2.3093 7.7467 7.7467 13.4459 13.4459 15.1873 15.1873 15.6830 15.6830 k =-0.1544 0.2138 0.2637 ( 2641 PWs) bands (ev): -19.5694 -19.5694 -19.0908 -19.0908 -18.8133 -18.8133 -17.2401 -17.2401 -16.7639 -16.7639 -16.5427 -16.5427 -15.9187 -15.9187 -15.5107 -15.5107 -14.4437 -14.4437 -3.1457 -3.1457 -2.4943 -2.4943 -0.7446 -0.7446 0.3528 0.3528 0.3849 0.3849 0.5986 0.5986 1.0018 1.0018 1.3687 1.3687 1.7579 1.7579 2.0403 2.0403 2.0470 2.0470 2.3242 2.3242 7.6471 7.6471 13.5511 13.5511 15.2071 15.2071 15.7458 15.7458 k =-0.1480 0.2048 0.2527 ( 2637 PWs) bands (ev): -19.5699 -19.5699 -19.1219 -19.1219 -18.8154 -18.8154 -17.2347 -17.2347 -16.7567 -16.7567 -16.5422 -16.5422 -15.9180 -15.9180 -15.4739 -15.4739 -14.4419 -14.4419 -3.1247 -3.1247 -2.4988 -2.4988 -0.7705 -0.7705 0.3684 0.3684 0.3998 0.3998 0.6023 0.6023 0.9437 0.9437 1.3820 1.3820 1.7412 1.7412 2.0139 2.0139 2.0737 2.0737 2.3388 2.3388 7.5488 7.5488 13.6556 13.6556 15.2249 15.2249 15.7919 15.7919 k =-0.1415 0.1959 0.2417 ( 2631 PWs) bands (ev): -19.5705 -19.5705 -19.1526 -19.1526 -18.8177 -18.8177 -17.2295 -17.2295 -16.7498 -16.7498 -16.5417 -16.5417 -15.9174 -15.9174 -15.4365 -15.4365 -14.4399 -14.4399 -3.1025 -3.1025 -2.5035 -2.5035 -0.7956 -0.7956 0.3841 0.3841 0.4135 0.4135 0.6059 0.6059 0.8846 0.8846 1.3949 1.3949 1.7251 1.7251 1.9873 1.9873 2.1009 2.1009 2.3531 2.3531 7.4522 7.4522 13.7585 13.7585 15.2407 15.2407 15.7863 15.7863 k =-0.1351 0.1870 0.2307 ( 2631 PWs) bands (ev): -19.5712 -19.5712 -19.1828 -19.1828 -18.8200 -18.8200 -17.2246 -17.2246 -16.7433 -16.7433 -16.5411 -16.5411 -15.9168 -15.9168 -15.3986 -15.3986 -14.4377 -14.4377 -3.0790 -3.0790 -2.5084 -2.5084 -0.8200 -0.8200 0.3994 0.3994 0.4259 0.4259 0.6095 0.6095 0.8254 0.8254 1.4073 1.4073 1.7095 1.7095 1.9604 1.9604 2.1282 2.1282 2.3671 2.3671 7.3578 7.3578 13.8592 13.8592 15.2537 15.2537 15.7439 15.7439 k =-0.1287 0.1781 0.2197 ( 2631 PWs) bands (ev): -19.5720 -19.5720 -19.2124 -19.2124 -18.8223 -18.8223 -17.2198 -17.2198 -16.7372 -16.7372 -16.5406 -16.5406 -15.9162 -15.9162 -15.3607 -15.3607 -14.4353 -14.4353 -3.0544 -3.0544 -2.5133 -2.5133 -0.8435 -0.8435 0.4131 0.4131 0.4369 0.4369 0.6130 0.6130 0.7676 0.7676 1.4193 1.4193 1.6944 1.6944 1.9333 1.9333 2.1557 2.1557 2.3806 2.3806 7.2659 7.2659 13.9570 13.9570 15.2631 15.2631 15.6978 15.6978 k =-0.1222 0.1692 0.2087 ( 2635 PWs) bands (ev): -19.5730 -19.5730 -19.2411 -19.2411 -18.8247 -18.8247 -17.2152 -17.2152 -16.7316 -16.7316 -16.5401 -16.5401 -15.9156 -15.9156 -15.3230 -15.3230 -14.4327 -14.4327 -3.0287 -3.0287 -2.5182 -2.5182 -0.8662 -0.8662 0.4213 0.4213 0.4485 0.4485 0.6162 0.6162 0.7136 0.7136 1.4308 1.4308 1.6799 1.6799 1.9062 1.9062 2.1831 2.1831 2.3938 2.3938 7.1767 7.1767 14.0511 14.0511 15.2676 15.2676 15.6580 15.6580 k =-0.1158 0.1603 0.1978 ( 2635 PWs) bands (ev): -19.5741 -19.5741 -19.2688 -19.2688 -18.8270 -18.8270 -17.2107 -17.2107 -16.7263 -16.7263 -16.5396 -16.5396 -15.9150 -15.9150 -15.2858 -15.2858 -14.4298 -14.4298 -3.0021 -3.0021 -2.5231 -2.5231 -0.8880 -0.8880 0.4184 0.4184 0.4628 0.4628 0.6184 0.6184 0.6677 0.6677 1.4418 1.4418 1.6661 1.6661 1.8791 1.8791 2.2104 2.2104 2.4065 2.4065 7.0905 7.0905 14.1405 14.1405 15.2664 15.2664 15.6279 15.6279 k =-0.1094 0.1514 0.1868 ( 2631 PWs) bands (ev): -19.5755 -19.5755 -19.2953 -19.2953 -18.8293 -18.8293 -17.2065 -17.2065 -16.7214 -16.7214 -16.5390 -16.5390 -15.9144 -15.9144 -15.2493 -15.2493 -14.4267 -14.4267 -2.9746 -2.9746 -2.5279 -2.5279 -0.9087 -0.9087 0.4005 0.4005 0.4792 0.4792 0.6160 0.6160 0.6384 0.6384 1.4522 1.4522 1.6528 1.6528 1.8521 1.8521 2.2375 2.2375 2.4188 2.4188 7.0076 7.0076 14.2243 14.2243 15.2593 15.2593 15.6091 15.6091 k =-0.1029 0.1425 0.1758 ( 2631 PWs) bands (ev): -19.5770 -19.5770 -19.3206 -19.3206 -18.8315 -18.8315 -17.2025 -17.2025 -16.7169 -16.7169 -16.5385 -16.5385 -15.9139 -15.9139 -15.2138 -15.2138 -14.4233 -14.4233 -2.9465 -2.9465 -2.5325 -2.5325 -0.9285 -0.9285 0.3664 0.3664 0.4966 0.4966 0.6044 0.6044 0.6328 0.6328 1.4622 1.4622 1.6401 1.6401 1.8253 1.8253 2.2641 2.2641 2.4306 2.4306 6.9283 6.9283 14.3015 14.3015 15.2476 15.2476 15.6011 15.6011 k =-0.0965 0.1336 0.1648 ( 2619 PWs) bands (ev): -19.5789 -19.5789 -19.3445 -19.3445 -18.8336 -18.8336 -17.1987 -17.1987 -16.7127 -16.7127 -16.5380 -16.5380 -15.9134 -15.9134 -15.1796 -15.1796 -14.4197 -14.4197 -2.9178 -2.9178 -2.5369 -2.5369 -0.9473 -0.9473 0.3194 0.3194 0.5144 0.5144 0.5974 0.5974 0.6346 0.6346 1.4716 1.4716 1.6281 1.6281 1.7988 1.7988 2.2902 2.2902 2.4419 2.4419 6.8526 6.8526 14.3709 14.3709 15.2341 15.2341 15.6024 15.6024 k =-0.0901 0.1247 0.1538 ( 2619 PWs) bands (ev): -19.5810 -19.5810 -19.3668 -19.3668 -18.8357 -18.8357 -17.1952 -17.1952 -16.7089 -16.7089 -16.5375 -16.5375 -15.9129 -15.9129 -15.1468 -15.1468 -14.4159 -14.4159 -2.8889 -2.8889 -2.5410 -2.5410 -0.9650 -0.9650 0.2646 0.2646 0.5324 0.5324 0.5969 0.5969 0.6375 0.6375 1.4805 1.4805 1.6168 1.6168 1.7728 1.7728 2.3155 2.3155 2.4528 2.4528 6.7809 6.7809 14.4311 14.4311 15.2219 15.2219 15.6107 15.6107 k =-0.0836 0.1158 0.1428 ( 2617 PWs) bands (ev): -19.5834 -19.5834 -19.3874 -19.3874 -18.8376 -18.8376 -17.1918 -17.1918 -16.7055 -16.7055 -16.5371 -16.5371 -15.9124 -15.9124 -15.1158 -15.1158 -14.4118 -14.4118 -2.8599 -2.8599 -2.5447 -2.5447 -0.9816 -0.9816 0.2060 0.2060 0.5502 0.5502 0.6000 0.6000 0.6406 0.6406 1.4888 1.4888 1.6060 1.6060 1.7474 1.7474 2.3399 2.3399 2.4631 2.4631 6.7132 6.7132 14.4810 14.4810 15.2137 15.2137 15.6240 15.6240 k =-0.0772 0.1069 0.1318 ( 2625 PWs) bands (ev): -19.5862 -19.5862 -19.4063 -19.4063 -18.8395 -18.8395 -17.1887 -17.1887 -16.7023 -16.7023 -16.5367 -16.5367 -15.9120 -15.9120 -15.0866 -15.0866 -14.4077 -14.4077 -2.8313 -2.8313 -2.5479 -2.5479 -0.9971 -0.9971 0.1461 0.1461 0.5676 0.5676 0.6051 0.6051 0.6440 0.6440 1.4965 1.4965 1.5959 1.5959 1.7228 1.7228 2.3632 2.3632 2.4728 2.4728 6.6498 6.6498 14.5199 14.5199 15.2114 15.2114 15.6407 15.6407 k =-0.0708 0.0980 0.1209 ( 2625 PWs) bands (ev): -19.5894 -19.5894 -19.4233 -19.4233 -18.8412 -18.8412 -17.1858 -17.1858 -16.6995 -16.6995 -16.5362 -16.5362 -15.9115 -15.9115 -15.0595 -15.0595 -14.4033 -14.4033 -2.8033 -2.8033 -2.5504 -2.5504 -1.0114 -1.0114 0.0866 0.0866 0.5845 0.5845 0.6110 0.6110 0.6474 0.6474 1.5037 1.5037 1.5865 1.5865 1.6991 1.6991 2.3853 2.3853 2.4821 2.4821 6.5908 6.5908 14.5478 14.5478 15.2158 15.2158 15.6598 15.6598 k =-0.0643 0.0891 0.1099 ( 2621 PWs) bands (ev): -19.5929 -19.5929 -19.4383 -19.4383 -18.8429 -18.8429 -17.1832 -17.1832 -16.6969 -16.6969 -16.5358 -16.5358 -15.9111 -15.9111 -15.0345 -15.0345 -14.3990 -14.3990 -2.7764 -2.7764 -2.5522 -2.5522 -1.0246 -1.0246 0.0287 0.0287 0.6004 0.6004 0.6173 0.6173 0.6511 0.6511 1.5102 1.5102 1.5776 1.5776 1.6766 1.6766 2.4059 2.4059 2.4908 2.4908 6.5363 6.5363 14.5655 14.5655 15.2266 15.2266 15.6802 15.6802 k =-0.0579 0.0802 0.0989 ( 2625 PWs) bands (ev): -19.5968 -19.5968 -19.4515 -19.4515 -18.8443 -18.8443 -17.1808 -17.1808 -16.6947 -16.6947 -16.5355 -16.5355 -15.9108 -15.9108 -15.0117 -15.0117 -14.3946 -14.3946 -2.7511 -2.7511 -2.5530 -2.5530 -1.0365 -1.0365 -0.0268 -0.0268 0.6144 0.6144 0.6240 0.6240 0.6554 0.6554 1.5161 1.5161 1.5693 1.5693 1.6555 1.6555 2.4248 2.4248 2.4991 2.4991 6.4866 6.4866 14.5747 14.5747 15.2422 15.2422 15.7014 15.7014 k =-0.0515 0.0713 0.0879 ( 2629 PWs) bands (ev): -19.6009 -19.6009 -19.4627 -19.4627 -18.8457 -18.8457 -17.1786 -17.1786 -16.6927 -16.6927 -16.5352 -16.5352 -15.9105 -15.9105 -14.9912 -14.9912 -14.3904 -14.3904 -2.7279 -2.7279 -2.5527 -2.5527 -1.0472 -1.0472 -0.0791 -0.0791 0.6245 0.6245 0.6323 0.6323 0.6606 0.6606 1.5214 1.5214 1.5616 1.5616 1.6360 1.6360 2.4419 2.4419 2.5070 2.5070 6.4416 6.4416 14.5773 14.5773 15.2610 15.2610 15.7226 15.7226 k =-0.0450 0.0623 0.0769 ( 2633 PWs) bands (ev): -19.6052 -19.6052 -19.4721 -19.4721 -18.8469 -18.8469 -17.1767 -17.1767 -16.6909 -16.6909 -16.5349 -16.5349 -15.9102 -15.9102 -14.9732 -14.9732 -14.3863 -14.3863 -2.7074 -2.7074 -2.5510 -2.5510 -1.0567 -1.0567 -0.1273 -0.1273 0.6305 0.6305 0.6412 0.6412 0.6673 0.6673 1.5260 1.5260 1.5544 1.5544 1.6185 1.6185 2.4568 2.4568 2.5144 2.5144 6.4016 6.4016 14.5756 14.5756 15.2810 15.2810 15.7433 15.7433 k =-0.0386 0.0534 0.0659 ( 2625 PWs) bands (ev): -19.6094 -19.6094 -19.4797 -19.4797 -18.8479 -18.8479 -17.1751 -17.1751 -16.6894 -16.6894 -16.5346 -16.5346 -15.9099 -15.9099 -14.9575 -14.9575 -14.3825 -14.3825 -2.6900 -2.6900 -2.5479 -2.5479 -1.0650 -1.0650 -0.1708 -0.1708 0.6350 0.6350 0.6481 0.6481 0.6757 0.6757 1.5299 1.5299 1.5478 1.5478 1.6032 1.6032 2.4696 2.4696 2.5214 2.5214 6.3667 6.3667 14.5711 14.5711 15.3007 15.3007 15.7628 15.7628 k =-0.0322 0.0445 0.0549 ( 2621 PWs) bands (ev): -19.6133 -19.6133 -19.4859 -19.4859 -18.8488 -18.8488 -17.1736 -17.1736 -16.6881 -16.6881 -16.5344 -16.5344 -15.9097 -15.9097 -14.9443 -14.9443 -14.3791 -14.3791 -2.6762 -2.6762 -2.5435 -2.5435 -1.0720 -1.0720 -0.2089 -0.2089 0.6384 0.6384 0.6530 0.6530 0.6846 0.6846 1.5325 1.5325 1.5422 1.5422 1.5905 1.5905 2.4801 2.4801 2.5279 2.5279 6.3370 6.3370 14.5654 14.5654 15.3188 15.3188 15.7806 15.7806 k =-0.0257 0.0356 0.0439 ( 2623 PWs) bands (ev): -19.6169 -19.6169 -19.4906 -19.4906 -18.8496 -18.8496 -17.1725 -17.1725 -16.6871 -16.6871 -16.5342 -16.5342 -15.9095 -15.9095 -14.9335 -14.9335 -14.3761 -14.3761 -2.6657 -2.6657 -2.5384 -2.5384 -1.0777 -1.0777 -0.2411 -0.2411 0.6411 0.6411 0.6566 0.6566 0.6930 0.6930 1.5319 1.5319 1.5397 1.5397 1.5803 1.5803 2.4884 2.4884 2.5338 2.5338 6.3126 6.3126 14.5595 14.5595 15.3344 15.3344 15.7961 15.7961 k =-0.0193 0.0267 0.0330 ( 2629 PWs) bands (ev): -19.6198 -19.6198 -19.4942 -19.4942 -18.8502 -18.8502 -17.1716 -17.1716 -16.6863 -16.6863 -16.5341 -16.5341 -15.9094 -15.9094 -14.9251 -14.9251 -14.3737 -14.3737 -2.6583 -2.6583 -2.5332 -2.5332 -1.0821 -1.0821 -0.2668 -0.2668 0.6430 0.6430 0.6591 0.6591 0.7001 0.7001 1.5279 1.5279 1.5406 1.5406 1.5727 1.5727 2.4945 2.4945 2.5387 2.5387 6.2935 6.2935 14.5542 14.5542 15.3470 15.3470 15.8088 15.8088 k =-0.0129 0.0178 0.0220 ( 2629 PWs) bands (ev): -19.6221 -19.6221 -19.4966 -19.4966 -18.8506 -18.8506 -17.1710 -17.1710 -16.6858 -16.6858 -16.5340 -16.5340 -15.9093 -15.9093 -14.9191 -14.9191 -14.3720 -14.3720 -2.6535 -2.6535 -2.5287 -2.5287 -1.0853 -1.0853 -0.2854 -0.2854 0.6444 0.6444 0.6609 0.6609 0.7054 0.7054 1.5240 1.5240 1.5419 1.5419 1.5674 1.5674 2.4988 2.4988 2.5424 2.5424 6.2798 6.2798 14.5501 14.5501 15.3562 15.3562 15.8182 15.8182 k =-0.0064 0.0089 0.0110 ( 2637 PWs) bands (ev): -19.6234 -19.6234 -19.4980 -19.4980 -18.8508 -18.8508 -17.1706 -17.1706 -16.6855 -16.6855 -16.5339 -16.5339 -15.9092 -15.9092 -14.9155 -14.9155 -14.3709 -14.3709 -2.6509 -2.6509 -2.5258 -2.5258 -1.0872 -1.0872 -0.2968 -0.2968 0.6451 0.6451 0.6620 0.6620 0.7087 0.7087 1.5214 1.5214 1.5428 1.5428 1.5644 1.5644 2.5012 2.5012 2.5448 2.5448 6.2715 6.2715 14.5475 14.5475 15.3619 15.3619 15.8240 15.8240 k = 0.0000 0.0000 0.0000 ( 2641 PWs) bands (ev): -19.6239 -19.6239 -19.4985 -19.4985 -18.8509 -18.8509 -17.1705 -17.1705 -16.6853 -16.6853 -16.5339 -16.5339 -15.9092 -15.9092 -14.9144 -14.9144 -14.3705 -14.3705 -2.6500 -2.6500 -2.5247 -2.5247 -1.0879 -1.0879 -0.3006 -0.3006 0.6454 0.6454 0.6623 0.6623 0.7098 0.7098 1.5205 1.5205 1.5431 1.5431 1.5634 1.5634 2.5020 2.5020 2.5456 2.5456 6.2688 6.2688 14.5466 14.5466 15.3637 15.3637 15.8259 15.8259 k = 0.0000 0.0000 0.0000 ( 2641 PWs) bands (ev): -19.6239 -19.6239 -19.4985 -19.4985 -18.8509 -18.8509 -17.1705 -17.1705 -16.6853 -16.6853 -16.5339 -16.5339 -15.9092 -15.9092 -14.9144 -14.9144 -14.3705 -14.3705 -2.6500 -2.6500 -2.5247 -2.5247 -1.0879 -1.0879 -0.3006 -0.3006 0.6454 0.6454 0.6623 0.6623 0.7098 0.7098 1.5205 1.5205 1.5431 1.5431 1.5634 1.5634 2.5020 2.5020 2.5456 2.5456 6.2688 6.2688 14.5466 14.5466 15.3637 15.3637 15.8259 15.8259 k = 0.0125 0.0090 0.0000 ( 2633 PWs) bands (ev): -19.6239 -19.6239 -19.4986 -19.4986 -18.8506 -18.8506 -17.1708 -17.1708 -16.6853 -16.6853 -16.5339 -16.5339 -15.9092 -15.9092 -14.9144 -14.9144 -14.3705 -14.3705 -2.6502 -2.6502 -2.5249 -2.5249 -1.0876 -1.0876 -0.3000 -0.3000 0.6453 0.6453 0.6622 0.6622 0.7100 0.7100 1.5208 1.5208 1.5413 1.5413 1.5637 1.5637 2.5021 2.5021 2.5457 2.5457 6.2710 6.2710 14.5422 14.5422 15.3648 15.3648 15.8266 15.8266 k = 0.0250 0.0181 0.0000 ( 2633 PWs) bands (ev): -19.6239 -19.6239 -19.4987 -19.4987 -18.8495 -18.8495 -17.1720 -17.1720 -16.6853 -16.6853 -16.5338 -16.5338 -15.9092 -15.9092 -14.9144 -14.9144 -14.3704 -14.3704 -2.6508 -2.6508 -2.5255 -2.5255 -1.0870 -1.0870 -0.2982 -0.2982 0.6449 0.6449 0.6620 0.6620 0.7104 0.7104 1.5217 1.5217 1.5360 1.5360 1.5646 1.5646 2.5025 2.5025 2.5461 2.5461 6.2777 6.2777 14.5289 14.5289 15.3680 15.3680 15.8286 15.8286 k = 0.0375 0.0271 0.0000 ( 2637 PWs) bands (ev): -19.6240 -19.6240 -19.4990 -19.4990 -18.8478 -18.8478 -17.1740 -17.1740 -16.6853 -16.6853 -16.5338 -16.5338 -15.9091 -15.9091 -14.9144 -14.9144 -14.3703 -14.3703 -2.6517 -2.6517 -2.5264 -2.5264 -1.0859 -1.0859 -0.2952 -0.2952 0.6442 0.6442 0.6615 0.6615 0.7112 0.7112 1.5228 1.5228 1.5276 1.5276 1.5661 1.5661 2.5030 2.5030 2.5466 2.5466 6.2888 6.2888 14.5074 14.5074 15.3731 15.3731 15.8319 15.8319 k = 0.0500 0.0361 0.0000 ( 2633 PWs) bands (ev): -19.6240 -19.6240 -19.4993 -19.4993 -18.8454 -18.8454 -17.1768 -17.1768 -16.6853 -16.6853 -16.5336 -16.5336 -15.9091 -15.9091 -14.9144 -14.9144 -14.3701 -14.3701 -2.6530 -2.6530 -2.5278 -2.5278 -1.0843 -1.0843 -0.2911 -0.2911 0.6432 0.6432 0.6609 0.6609 0.7123 0.7123 1.5142 1.5142 1.5261 1.5261 1.5681 1.5681 2.5038 2.5038 2.5475 2.5475 6.3042 6.3042 14.4783 14.4783 15.3800 15.3800 15.8366 15.8366 k = 0.0625 0.0451 0.0000 ( 2633 PWs) bands (ev): -19.6240 -19.6240 -19.4998 -19.4998 -18.8422 -18.8422 -17.1804 -17.1804 -16.6853 -16.6853 -16.5335 -16.5335 -15.9090 -15.9090 -14.9144 -14.9144 -14.3698 -14.3698 -2.6547 -2.6547 -2.5294 -2.5294 -1.0823 -1.0823 -0.2859 -0.2859 0.6420 0.6420 0.6601 0.6601 0.7138 0.7138 1.4986 1.4986 1.5289 1.5289 1.5708 1.5708 2.5047 2.5047 2.5485 2.5485 6.3237 6.3237 14.4425 14.4425 15.3884 15.3884 15.8425 15.8425 k = 0.0750 0.0542 0.0000 ( 2633 PWs) bands (ev): -19.6241 -19.6241 -19.5004 -19.5004 -18.8384 -18.8384 -17.1847 -17.1847 -16.6853 -16.6853 -16.5333 -16.5333 -15.9090 -15.9090 -14.9144 -14.9144 -14.3695 -14.3695 -2.6567 -2.6567 -2.5315 -2.5315 -1.0798 -1.0798 -0.2795 -0.2795 0.6406 0.6406 0.6591 0.6591 0.7155 0.7155 1.4798 1.4798 1.5323 1.5323 1.5739 1.5739 2.5059 2.5059 2.5497 2.5497 6.3471 6.3471 14.4008 14.4008 15.3983 15.3983 15.8497 15.8497 k = 0.0875 0.0632 0.0000 ( 2625 PWs) bands (ev): -19.6242 -19.6242 -19.5011 -19.5011 -18.8340 -18.8340 -17.1898 -17.1898 -16.6852 -16.6852 -16.5331 -16.5331 -15.9089 -15.9089 -14.9144 -14.9144 -14.3691 -14.3691 -2.6590 -2.6590 -2.5339 -2.5339 -1.0768 -1.0768 -0.2722 -0.2722 0.6389 0.6389 0.6579 0.6579 0.7176 0.7176 1.4580 1.4580 1.5363 1.5363 1.5775 1.5775 2.5072 2.5072 2.5512 2.5512 6.3743 6.3743 14.3543 14.3543 15.4093 15.4093 15.8581 15.8581 k = 0.1000 0.0722 0.0000 ( 2633 PWs) bands (ev): -19.6243 -19.6243 -19.5019 -19.5019 -18.8289 -18.8289 -17.1956 -17.1956 -16.6852 -16.6852 -16.5329 -16.5329 -15.9088 -15.9088 -14.9144 -14.9144 -14.3687 -14.3687 -2.6617 -2.6617 -2.5366 -2.5366 -1.0734 -1.0734 -0.2639 -0.2639 0.6371 0.6371 0.6566 0.6566 0.7200 0.7200 1.4333 1.4333 1.5408 1.5408 1.5816 1.5816 2.5087 2.5087 2.5528 2.5528 6.4048 6.4048 14.3038 14.3038 15.4214 15.4214 15.8677 15.8677 k = 0.1125 0.0813 0.0000 ( 2633 PWs) bands (ev): -19.6244 -19.6244 -19.5028 -19.5028 -18.8231 -18.8231 -17.2022 -17.2022 -16.6852 -16.6852 -16.5326 -16.5326 -15.9087 -15.9087 -14.9144 -14.9144 -14.3682 -14.3682 -2.6647 -2.6647 -2.5396 -2.5396 -1.0694 -1.0694 -0.2547 -0.2547 0.6351 0.6351 0.6551 0.6551 0.7227 0.7227 1.4062 1.4062 1.5458 1.5458 1.5862 1.5862 2.5104 2.5104 2.5546 2.5546 6.4385 6.4385 14.2503 14.2503 15.4344 15.4344 15.8785 15.8785 k = 0.1250 0.0903 0.0000 ( 2633 PWs) bands (ev): -19.6245 -19.6245 -19.5037 -19.5037 -18.8166 -18.8166 -17.2095 -17.2095 -16.6852 -16.6852 -16.5323 -16.5323 -15.9087 -15.9087 -14.9145 -14.9145 -14.3677 -14.3677 -2.6679 -2.6679 -2.5429 -2.5429 -1.0649 -1.0649 -0.2448 -0.2448 0.6329 0.6329 0.6534 0.6534 0.7257 0.7257 1.3767 1.3767 1.5513 1.5513 1.5912 1.5912 2.5123 2.5123 2.5566 2.5566 6.4751 6.4751 14.1945 14.1945 15.4483 15.4483 15.8904 15.8904 k = 0.1375 0.0993 0.0000 ( 2633 PWs) bands (ev): -19.6246 -19.6246 -19.5048 -19.5048 -18.8096 -18.8096 -17.2174 -17.2174 -16.6851 -16.6851 -16.5320 -16.5320 -15.9086 -15.9086 -14.9145 -14.9145 -14.3671 -14.3671 -2.6715 -2.6715 -2.5465 -2.5465 -1.0599 -1.0599 -0.2341 -0.2341 0.6306 0.6306 0.6517 0.6517 0.7291 0.7291 1.3452 1.3452 1.5572 1.5572 1.5965 1.5965 2.5143 2.5143 2.5587 2.5587 6.5142 6.5142 14.1373 14.1373 15.4630 15.4630 15.9034 15.9034 k = 0.1500 0.1083 0.0000 ( 2625 PWs) bands (ev): -19.6247 -19.6247 -19.5060 -19.5060 -18.8019 -18.8019 -17.2260 -17.2260 -16.6851 -16.6851 -16.5317 -16.5317 -15.9084 -15.9084 -14.9145 -14.9145 -14.3664 -14.3664 -2.6752 -2.6752 -2.5503 -2.5503 -1.0543 -1.0543 -0.2228 -0.2228 0.6281 0.6281 0.6498 0.6498 0.7327 0.7327 1.3119 1.3119 1.5634 1.5634 1.6022 1.6022 2.5164 2.5164 2.5610 2.5610 6.5555 6.5555 14.0792 14.0792 15.4785 15.4785 15.9175 15.9175 k = 0.1625 0.1174 0.0000 ( 2625 PWs) bands (ev): -19.6248 -19.6248 -19.5072 -19.5072 -18.7936 -18.7936 -17.2353 -17.2353 -16.6851 -16.6851 -16.5313 -16.5313 -15.9083 -15.9083 -14.9145 -14.9145 -14.3658 -14.3658 -2.6792 -2.6792 -2.5543 -2.5543 -1.0482 -1.0482 -0.2109 -0.2109 0.6256 0.6256 0.6478 0.6478 0.7365 0.7365 1.2770 1.2770 1.5700 1.5700 1.6081 1.6081 2.5187 2.5187 2.5634 2.5634 6.5987 6.5987 14.0209 14.0209 15.4946 15.4946 15.9324 15.9324 k = 0.1750 0.1264 0.0000 ( 2625 PWs) bands (ev): -19.6250 -19.6250 -19.5086 -19.5086 -18.7848 -18.7848 -17.2451 -17.2451 -16.6850 -16.6850 -16.5310 -16.5310 -15.9082 -15.9082 -14.9145 -14.9145 -14.3650 -14.3650 -2.6833 -2.6833 -2.5586 -2.5586 -1.0415 -1.0415 -0.1987 -0.1987 0.6230 0.6230 0.6457 0.6457 0.7406 0.7406 1.2410 1.2410 1.5768 1.5768 1.6144 1.6144 2.5210 2.5210 2.5659 2.5659 6.6433 6.6433 13.9629 13.9629 15.5114 15.5114 15.9483 15.9483 k = 0.1875 0.1354 0.0000 ( 2637 PWs) bands (ev): -19.6251 -19.6251 -19.5100 -19.5100 -18.7755 -18.7755 -17.2556 -17.2556 -16.6850 -16.6850 -16.5307 -16.5307 -15.9081 -15.9081 -14.9146 -14.9146 -14.3642 -14.3642 -2.6877 -2.6877 -2.5630 -2.5630 -1.0342 -1.0342 -0.1863 -0.1863 0.6204 0.6204 0.6436 0.6436 0.7448 0.7448 1.2040 1.2040 1.5838 1.5838 1.6208 1.6208 2.5234 2.5234 2.5684 2.5684 6.6892 6.6892 13.9058 13.9058 15.5288 15.5288 15.9649 15.9649 k = 0.2000 0.1445 0.0000 ( 2637 PWs) bands (ev): -19.6253 -19.6253 -19.5115 -19.5115 -18.7656 -18.7656 -17.2665 -17.2665 -16.6850 -16.6850 -16.5303 -16.5303 -15.9080 -15.9080 -14.9146 -14.9146 -14.3633 -14.3633 -2.6921 -2.6921 -2.5675 -2.5675 -1.0264 -1.0264 -0.1736 -0.1736 0.6177 0.6177 0.6415 0.6415 0.7492 0.7492 1.1662 1.1662 1.5910 1.5910 1.6274 1.6274 2.5259 2.5259 2.5711 2.5711 6.7358 6.7358 13.8500 13.8500 15.5467 15.5467 15.9823 15.9823 k = 0.2125 0.1535 0.0000 ( 2633 PWs) bands (ev): -19.6255 -19.6255 -19.5130 -19.5130 -18.7553 -18.7553 -17.2779 -17.2779 -16.6849 -16.6849 -16.5299 -16.5299 -15.9078 -15.9078 -14.9147 -14.9147 -14.3624 -14.3624 -2.6967 -2.6967 -2.5722 -2.5722 -1.0179 -1.0179 -0.1610 -0.1610 0.6151 0.6151 0.6393 0.6393 0.7537 0.7537 1.1281 1.1281 1.5984 1.5984 1.6341 1.6341 2.5285 2.5285 2.5737 2.5737 6.7830 6.7830 13.7959 13.7959 15.5650 15.5650 16.0003 16.0003 k = 0.2250 0.1625 0.0000 ( 2633 PWs) bands (ev): -19.6256 -19.6256 -19.5146 -19.5146 -18.7446 -18.7446 -17.2897 -17.2897 -16.6849 -16.6849 -16.5295 -16.5295 -15.9077 -15.9077 -14.9147 -14.9147 -14.3614 -14.3614 -2.7014 -2.7014 -2.5769 -2.5769 -1.0090 -1.0090 -0.1484 -0.1484 0.6124 0.6124 0.6371 0.6371 0.7584 0.7584 1.0899 1.0899 1.6058 1.6058 1.6409 1.6409 2.5310 2.5310 2.5765 2.5765 6.8303 6.8303 13.7438 13.7438 15.5837 15.5837 16.0188 16.0188 k = 0.2375 0.1715 0.0000 ( 2633 PWs) bands (ev): -19.6258 -19.6258 -19.5162 -19.5162 -18.7335 -18.7335 -17.3020 -17.3020 -16.6848 -16.6848 -16.5291 -16.5291 -15.9076 -15.9076 -14.9147 -14.9147 -14.3605 -14.3605 -2.7061 -2.7061 -2.5817 -2.5817 -0.9995 -0.9995 -0.1362 -0.1362 0.6098 0.6098 0.6350 0.6350 0.7631 0.7631 1.0517 1.0517 1.6132 1.6132 1.6477 1.6477 2.5336 2.5336 2.5792 2.5792 6.8774 6.8774 13.6942 13.6942 15.6026 15.6026 16.0378 16.0378 k = 0.2500 0.1806 0.0000 ( 2633 PWs) bands (ev): -19.6259 -19.6259 -19.5179 -19.5179 -18.7221 -18.7221 -17.3145 -17.3145 -16.6848 -16.6848 -16.5287 -16.5287 -15.9074 -15.9074 -14.9147 -14.9147 -14.3595 -14.3595 -2.7108 -2.7108 -2.5865 -2.5865 -0.9894 -0.9894 -0.1244 -0.1244 0.6072 0.6072 0.6329 0.6329 0.7679 0.7679 1.0139 1.0139 1.6206 1.6206 1.6545 1.6545 2.5362 2.5362 2.5819 2.5819 6.9241 6.9241 13.6472 13.6472 15.6218 15.6218 16.0571 16.0571 k = 0.2625 0.1896 0.0000 ( 2633 PWs) bands (ev): -19.6261 -19.6261 -19.5196 -19.5196 -18.7105 -18.7105 -17.3273 -17.3273 -16.6848 -16.6848 -16.5283 -16.5283 -15.9073 -15.9073 -14.9148 -14.9148 -14.3584 -14.3584 -2.7156 -2.7156 -2.5912 -2.5912 -0.9789 -0.9789 -0.1131 -0.1131 0.6046 0.6046 0.6308 0.6308 0.7726 0.7726 0.9768 0.9768 1.6280 1.6280 1.6613 1.6613 2.5388 2.5388 2.5846 2.5846 6.9700 6.9700 13.6031 13.6031 15.6410 15.6410 16.0767 16.0767 k = 0.2750 0.1986 0.0000 ( 2633 PWs) bands (ev): -19.6263 -19.6263 -19.5212 -19.5212 -18.6986 -18.6986 -17.3403 -17.3403 -16.6847 -16.6847 -16.5279 -16.5279 -15.9071 -15.9071 -14.9148 -14.9148 -14.3574 -14.3574 -2.7203 -2.7203 -2.5960 -2.5960 -0.9679 -0.9679 -0.1026 -0.1026 0.6021 0.6021 0.6288 0.6288 0.7774 0.7774 0.9407 0.9407 1.6353 1.6353 1.6680 1.6680 2.5413 2.5413 2.5872 2.5872 7.0148 7.0148 13.5621 13.5621 15.6602 15.6602 16.0964 16.0964 k = 0.2875 0.2077 0.0000 ( 2641 PWs) bands (ev): -19.6264 -19.6264 -19.5230 -19.5230 -18.6866 -18.6866 -17.3534 -17.3534 -16.6847 -16.6847 -16.5276 -16.5276 -15.9070 -15.9070 -14.9148 -14.9148 -14.3564 -14.3564 -2.7249 -2.7249 -2.6007 -2.6007 -0.9564 -0.9564 -0.0931 -0.0931 0.5997 0.5997 0.6268 0.6268 0.7821 0.7821 0.9057 0.9057 1.6424 1.6424 1.6746 1.6746 2.5438 2.5438 2.5898 2.5898 7.0584 7.0584 13.5244 13.5244 15.6792 15.6792 16.1160 16.1160 k = 0.3000 0.2167 0.0000 ( 2641 PWs) bands (ev): -19.6266 -19.6266 -19.5246 -19.5246 -18.6745 -18.6745 -17.3666 -17.3666 -16.6847 -16.6847 -16.5272 -16.5272 -15.9069 -15.9069 -14.9148 -14.9148 -14.3553 -14.3553 -2.7294 -2.7294 -2.6053 -2.6053 -0.9446 -0.9446 -0.0845 -0.0845 0.5973 0.5973 0.6249 0.6249 0.7868 0.7868 0.8721 0.8721 1.6493 1.6493 1.6810 1.6810 2.5462 2.5462 2.5923 2.5923 7.1004 7.1004 13.4900 13.4900 15.6978 15.6978 16.1355 16.1355 k = 0.3125 0.2257 0.0000 ( 2641 PWs) bands (ev): -19.6267 -19.6267 -19.5263 -19.5263 -18.6625 -18.6625 -17.3796 -17.3796 -16.6846 -16.6846 -16.5269 -16.5269 -15.9067 -15.9067 -14.9149 -14.9149 -14.3543 -14.3543 -2.7338 -2.7338 -2.6098 -2.6098 -0.9325 -0.9325 -0.0771 -0.0771 0.5950 0.5950 0.6231 0.6231 0.7913 0.7913 0.8403 0.8403 1.6560 1.6560 1.6872 1.6872 2.5485 2.5485 2.5948 2.5948 7.1407 7.1407 13.4590 13.4590 15.7159 15.7159 16.1195 16.1195 k = 0.3250 0.2347 0.0000 ( 2637 PWs) bands (ev): -19.6269 -19.6269 -19.5279 -19.5279 -18.6506 -18.6506 -17.3926 -17.3926 -16.6846 -16.6846 -16.5265 -16.5265 -15.9066 -15.9066 -14.9149 -14.9149 -14.3532 -14.3532 -2.7381 -2.7381 -2.6141 -2.6141 -0.9201 -0.9201 -0.0710 -0.0710 0.5928 0.5928 0.6214 0.6214 0.7957 0.7957 0.8103 0.8103 1.6625 1.6625 1.6932 1.6932 2.5507 2.5507 2.5971 2.5971 7.1790 7.1790 13.4315 13.4315 15.7331 15.7331 16.0494 16.0494 k = 0.3375 0.2438 0.0000 ( 2637 PWs) bands (ev): -19.6270 -19.6270 -19.5294 -19.5294 -18.6388 -18.6388 -17.4053 -17.4053 -16.6845 -16.6845 -16.5262 -16.5262 -15.9065 -15.9065 -14.9149 -14.9149 -14.3522 -14.3522 -2.7422 -2.7422 -2.6182 -2.6182 -0.9076 -0.9076 -0.0663 -0.0663 0.5906 0.5906 0.6199 0.6199 0.7824 0.7824 0.8000 0.8000 1.6687 1.6687 1.6989 1.6989 2.5529 2.5529 2.5993 2.5993 7.2151 7.2151 13.4073 13.4073 15.7490 15.7490 15.9821 15.9821 k = 0.3500 0.2528 0.0000 ( 2633 PWs) bands (ev): -19.6272 -19.6272 -19.5309 -19.5309 -18.6273 -18.6273 -17.4177 -17.4177 -16.6845 -16.6845 -16.5259 -16.5259 -15.9064 -15.9064 -14.9149 -14.9149 -14.3513 -14.3513 -2.7461 -2.7461 -2.6222 -2.6222 -0.8950 -0.8950 -0.0629 -0.0629 0.5886 0.5886 0.6184 0.6184 0.7568 0.7568 0.8040 0.8040 1.6745 1.6745 1.7044 1.7044 2.5549 2.5549 2.6014 2.6014 7.2490 7.2490 13.3864 13.3864 15.7622 15.7622 15.9193 15.9193 k = 0.3625 0.2618 0.0000 ( 2637 PWs) bands (ev): -19.6273 -19.6273 -19.5324 -19.5324 -18.6162 -18.6162 -17.4297 -17.4297 -16.6845 -16.6845 -16.5256 -16.5256 -15.9063 -15.9063 -14.9150 -14.9150 -14.3504 -14.3504 -2.7498 -2.7498 -2.6259 -2.6259 -0.8825 -0.8825 -0.0611 -0.0611 0.5866 0.5866 0.6170 0.6170 0.7336 0.7336 0.8078 0.8078 1.6800 1.6800 1.7095 1.7095 2.5568 2.5568 2.6034 2.6034 7.2805 7.2805 13.3687 13.3687 15.7683 15.7683 15.8657 15.8657 k = 0.3750 0.2708 0.0000 ( 2625 PWs) bands (ev): -19.6274 -19.6274 -19.5337 -19.5337 -18.6056 -18.6056 -17.4411 -17.4411 -16.6844 -16.6844 -16.5253 -16.5253 -15.9061 -15.9061 -14.9150 -14.9150 -14.3496 -14.3496 -2.7532 -2.7532 -2.6294 -2.6294 -0.8702 -0.8702 -0.0605 -0.0605 0.5846 0.5846 0.6157 0.6157 0.7129 0.7129 0.8114 0.8114 1.6852 1.6852 1.7143 1.7143 2.5585 2.5585 2.6052 2.6052 7.3095 7.3095 13.3540 13.3540 15.7528 15.7528 15.8361 15.8361 k = 0.3875 0.2799 0.0000 ( 2625 PWs) bands (ev): -19.6275 -19.6275 -19.5349 -19.5349 -18.5956 -18.5956 -17.4518 -17.4518 -16.6844 -16.6844 -16.5251 -16.5251 -15.9060 -15.9060 -14.9150 -14.9150 -14.3487 -14.3487 -2.7564 -2.7564 -2.6326 -2.6326 -0.8582 -0.8582 -0.0612 -0.0612 0.5827 0.5827 0.6146 0.6146 0.6946 0.6946 0.8147 0.8147 1.6899 1.6899 1.7187 1.7187 2.5601 2.5601 2.6069 2.6069 7.3359 7.3359 13.3420 13.3420 15.7122 15.7122 15.8345 15.8345 k = 0.4000 0.2889 0.0000 ( 2633 PWs) bands (ev): -19.6276 -19.6276 -19.5361 -19.5361 -18.5863 -18.5863 -17.4619 -17.4619 -16.6844 -16.6844 -16.5249 -16.5249 -15.9060 -15.9060 -14.9150 -14.9150 -14.3480 -14.3480 -2.7593 -2.7593 -2.6355 -2.6355 -0.8468 -0.8468 -0.0630 -0.0630 0.5809 0.5809 0.6135 0.6135 0.6789 0.6789 0.8178 0.8178 1.6942 1.6942 1.7226 1.7226 2.5616 2.5616 2.6084 2.6084 7.3596 7.3596 13.3324 13.3324 15.6653 15.6653 15.8422 15.8422 k = 0.4125 0.2979 0.0000 ( 2629 PWs) bands (ev): -19.6277 -19.6277 -19.5371 -19.5371 -18.5778 -18.5778 -17.4710 -17.4710 -16.6844 -16.6844 -16.5247 -16.5247 -15.9059 -15.9059 -14.9150 -14.9150 -14.3473 -14.3473 -2.7619 -2.7619 -2.6381 -2.6381 -0.8360 -0.8360 -0.0655 -0.0655 0.5791 0.5791 0.6126 0.6126 0.6656 0.6656 0.8205 0.8205 1.6980 1.6980 1.7262 1.7262 2.5629 2.5629 2.6098 2.6098 7.3806 7.3806 13.3251 13.3251 15.6202 15.6202 15.8517 15.8517 k = 0.4250 0.3070 0.0000 ( 2617 PWs) bands (ev): -19.6278 -19.6278 -19.5380 -19.5380 -18.5701 -18.5701 -17.4791 -17.4791 -16.6843 -16.6843 -16.5245 -16.5245 -15.9058 -15.9058 -14.9151 -14.9151 -14.3467 -14.3467 -2.7641 -2.7641 -2.6404 -2.6404 -0.8262 -0.8262 -0.0687 -0.0687 0.5774 0.5774 0.6118 0.6118 0.6546 0.6546 0.8229 0.8229 1.7014 1.7014 1.7294 1.7294 2.5640 2.5640 2.6110 2.6110 7.3988 7.3988 13.3196 13.3196 15.5792 15.5792 15.8609 15.8609 k = 0.4375 0.3160 0.0000 ( 2616 PWs) bands (ev): -19.6278 -19.6278 -19.5387 -19.5387 -18.5635 -18.5635 -17.4862 -17.4862 -16.6843 -16.6843 -16.5243 -16.5243 -15.9057 -15.9057 -14.9151 -14.9151 -14.3462 -14.3462 -2.7661 -2.7661 -2.6424 -2.6424 -0.8174 -0.8174 -0.0721 -0.0721 0.5759 0.5759 0.6111 0.6111 0.6457 0.6457 0.8250 0.8250 1.7042 1.7042 1.7320 1.7320 2.5650 2.5650 2.6120 2.6120 7.4142 7.4142 13.3156 13.3156 15.5433 15.5433 15.8691 15.8691 k = 0.4500 0.3250 0.0000 ( 2612 PWs) bands (ev): -19.6279 -19.6279 -19.5394 -19.5394 -18.5579 -18.5579 -17.4922 -17.4922 -16.6843 -16.6843 -16.5242 -16.5242 -15.9057 -15.9057 -14.9151 -14.9151 -14.3457 -14.3457 -2.7677 -2.7677 -2.6440 -2.6440 -0.8099 -0.8099 -0.0754 -0.0754 0.5745 0.5745 0.6106 0.6106 0.6388 0.6388 0.8267 0.8267 1.7066 1.7066 1.7343 1.7343 2.5658 2.5658 2.6128 2.6128 7.4269 7.4269 13.3129 13.3129 15.5132 15.5132 15.8761 15.8761 k = 0.4625 0.3340 0.0000 ( 2612 PWs) bands (ev): -19.6279 -19.6279 -19.5399 -19.5399 -18.5535 -18.5535 -17.4969 -17.4969 -16.6843 -16.6843 -16.5241 -16.5241 -15.9056 -15.9056 -14.9151 -14.9151 -14.3454 -14.3454 -2.7690 -2.7690 -2.6453 -2.6453 -0.8038 -0.8038 -0.0783 -0.0783 0.5733 0.5733 0.6102 0.6102 0.6337 0.6337 0.8280 0.8280 1.7085 1.7085 1.7360 1.7360 2.5664 2.5664 2.6135 2.6135 7.4367 7.4367 13.3111 13.3111 15.4893 15.4893 15.8817 15.8817 k = 0.4750 0.3431 0.0000 ( 2584 PWs) bands (ev): -19.6279 -19.6279 -19.5402 -19.5402 -18.5503 -18.5503 -17.5003 -17.5003 -16.6842 -16.6842 -16.5240 -16.5240 -15.9056 -15.9056 -14.9150 -14.9150 -14.3451 -14.3451 -2.7698 -2.7698 -2.6462 -2.6462 -0.7994 -0.7994 -0.0806 -0.0806 0.5724 0.5724 0.6099 0.6099 0.6302 0.6302 0.8290 0.8290 1.7099 1.7099 1.7373 1.7373 2.5669 2.5669 2.6139 2.6139 7.4438 7.4438 13.3100 13.3100 15.4720 15.4720 15.8858 15.8858 k = 0.4875 0.3521 0.0000 ( 2584 PWs) bands (ev): -19.6280 -19.6280 -19.5405 -19.5405 -18.5484 -18.5484 -17.5023 -17.5023 -16.6842 -16.6842 -16.5239 -16.5239 -15.9055 -15.9055 -14.9150 -14.9150 -14.3449 -14.3449 -2.7704 -2.7704 -2.6467 -2.6467 -0.7966 -0.7966 -0.0821 -0.0821 0.5719 0.5719 0.6097 0.6097 0.6281 0.6281 0.8296 0.8296 1.7107 1.7107 1.7380 1.7380 2.5672 2.5672 2.6142 2.6142 7.4480 7.4480 13.3095 13.3095 15.4616 15.4616 15.8882 15.8882 k = 0.5000 0.3611 0.0000 ( 2584 PWs) bands (ev): -19.6280 -19.6280 -19.5405 -19.5405 -18.5477 -18.5477 -17.5030 -17.5030 -16.6842 -16.6842 -16.5239 -16.5239 -15.9055 -15.9055 -14.9150 -14.9150 -14.3449 -14.3449 -2.7706 -2.7706 -2.6469 -2.6469 -0.7957 -0.7957 -0.0826 -0.0826 0.5717 0.5717 0.6096 0.6096 0.6275 0.6275 0.8298 0.8298 1.7109 1.7109 1.7383 1.7383 2.5673 2.5673 2.6143 2.6143 7.4494 7.4494 13.3093 13.3093 15.4580 15.4580 15.8890 15.8890 k = 0.5000 0.3611 0.0000 ( 2584 PWs) bands (ev): -19.6280 -19.6280 -19.5405 -19.5405 -18.5477 -18.5477 -17.5030 -17.5030 -16.6842 -16.6842 -16.5239 -16.5239 -15.9055 -15.9055 -14.9150 -14.9150 -14.3449 -14.3449 -2.7706 -2.7706 -2.6469 -2.6469 -0.7957 -0.7957 -0.0826 -0.0826 0.5717 0.5717 0.6096 0.6096 0.6275 0.6275 0.8298 0.8298 1.7109 1.7109 1.7383 1.7383 2.5673 2.5673 2.6143 2.6143 7.4494 7.4494 13.3093 13.3093 15.4580 15.4580 15.8890 15.8890 k = 0.4936 0.3700 0.0109 ( 2588 PWs) bands (ev): -19.6275 -19.6275 -19.5401 -19.5401 -18.5478 -18.5478 -17.5029 -17.5029 -16.6843 -16.6843 -16.5239 -16.5239 -15.9056 -15.9056 -14.9162 -14.9162 -14.3453 -14.3453 -2.7711 -2.7711 -2.6476 -2.6476 -0.7939 -0.7939 -0.0825 -0.0825 0.5722 0.5722 0.6103 0.6103 0.6273 0.6273 0.8297 0.8297 1.7110 1.7110 1.7384 1.7384 2.5670 2.5670 2.6141 2.6141 7.4510 7.4510 13.3101 13.3101 15.4502 15.4502 15.8922 15.8922 k = 0.4873 0.3788 0.0218 ( 2600 PWs) bands (ev): -19.6262 -19.6262 -19.5388 -19.5388 -18.5481 -18.5481 -17.5025 -17.5025 -16.6847 -16.6847 -16.5240 -16.5240 -15.9057 -15.9057 -14.9197 -14.9197 -14.3465 -14.3465 -2.7727 -2.7727 -2.6497 -2.6497 -0.7884 -0.7884 -0.0822 -0.0822 0.5734 0.5734 0.6123 0.6123 0.6270 0.6270 0.8293 0.8293 1.7113 1.7113 1.7387 1.7387 2.5663 2.5663 2.6133 2.6133 7.4558 7.4558 13.3127 13.3127 15.4273 15.4273 15.9007 15.9007 k = 0.4809 0.3876 0.0326 ( 2608 PWs) bands (ev): -19.6241 -19.6241 -19.5364 -19.5364 -18.5485 -18.5485 -17.5018 -17.5018 -16.6853 -16.6853 -16.5242 -16.5242 -15.9058 -15.9058 -14.9256 -14.9256 -14.3484 -14.3484 -2.7758 -2.7758 -2.6528 -2.6528 -0.7794 -0.7794 -0.0817 -0.0817 0.5750 0.5750 0.6156 0.6156 0.6271 0.6271 0.8288 0.8288 1.7117 1.7117 1.7393 1.7393 2.5650 2.5650 2.6121 2.6121 7.4638 7.4638 13.3170 13.3170 15.3912 15.3912 15.9128 15.9128 k = 0.4745 0.3964 0.0435 ( 2608 PWs) bands (ev): -19.6213 -19.6213 -19.5330 -19.5330 -18.5492 -18.5492 -17.5009 -17.5009 -16.6861 -16.6861 -16.5244 -16.5244 -15.9059 -15.9059 -14.9338 -14.9338 -14.3511 -14.3511 -2.7804 -2.7804 -2.6564 -2.6564 -0.7671 -0.7671 -0.0809 -0.0809 0.5763 0.5763 0.6179 0.6179 0.6304 0.6304 0.8282 0.8282 1.7123 1.7123 1.7402 1.7402 2.5632 2.5632 2.6105 2.6105 7.4749 7.4749 13.3229 13.3229 15.3440 15.3440 15.9260 15.9260 k = 0.4681 0.4052 0.0544 ( 2610 PWs) bands (ev): -19.6180 -19.6180 -19.5284 -19.5284 -18.5500 -18.5500 -17.4996 -17.4996 -16.6871 -16.6871 -16.5246 -16.5246 -15.9062 -15.9062 -14.9445 -14.9445 -14.3544 -14.3544 -2.7871 -2.7871 -2.6600 -2.6600 -0.7518 -0.7518 -0.0801 -0.0801 0.5769 0.5769 0.6171 0.6171 0.6394 0.6394 0.8276 0.8276 1.7129 1.7129 1.7416 1.7416 2.5607 2.5607 2.6086 2.6086 7.4893 7.4893 13.3306 13.3306 15.2876 15.2876 15.9382 15.9382 k = 0.4618 0.4141 0.0653 ( 2610 PWs) bands (ev): -19.6144 -19.6144 -19.5223 -19.5223 -18.5510 -18.5510 -17.4981 -17.4981 -16.6883 -16.6883 -16.5249 -16.5249 -15.9064 -15.9064 -14.9575 -14.9575 -14.3582 -14.3582 -2.7961 -2.7961 -2.6630 -2.6630 -0.7338 -0.7338 -0.0790 -0.0790 0.5765 0.5765 0.6147 0.6147 0.6527 0.6527 0.8270 0.8270 1.7134 1.7134 1.7434 1.7434 2.5575 2.5575 2.6064 2.6064 7.5069 7.5069 13.3399 13.3399 15.2234 15.2234 15.9475 15.9475 k = 0.4554 0.4229 0.0762 ( 2610 PWs) bands (ev): -19.6107 -19.6107 -19.5146 -19.5146 -18.5522 -18.5522 -17.4963 -17.4963 -16.6898 -16.6898 -16.5253 -16.5253 -15.9067 -15.9067 -14.9729 -14.9729 -14.3624 -14.3624 -2.8077 -2.8077 -2.6650 -2.6650 -0.7134 -0.7134 -0.0778 -0.0778 0.5750 0.5750 0.6114 0.6114 0.6694 0.6694 0.8267 0.8267 1.7138 1.7138 1.7458 1.7458 2.5535 2.5535 2.6040 2.6040 7.5277 7.5277 13.3508 13.3508 15.1525 15.1525 15.9526 15.9526 k = 0.4490 0.4317 0.0871 ( 2610 PWs) bands (ev): -19.6071 -19.6071 -19.5051 -19.5051 -18.5535 -18.5535 -17.4943 -17.4943 -16.6915 -16.6915 -16.5257 -16.5257 -15.9070 -15.9070 -14.9906 -14.9906 -14.3670 -14.3670 -2.8219 -2.8219 -2.6657 -2.6657 -0.6910 -0.6910 -0.0764 -0.0764 0.5724 0.5724 0.6076 0.6076 0.6892 0.6892 0.8266 0.8266 1.7142 1.7142 1.7488 1.7488 2.5486 2.5486 2.6015 2.6015 7.5517 7.5517 13.3634 13.3634 15.0758 15.0758 15.9526 15.9526 k = 0.4427 0.4405 0.0979 ( 2614 PWs) bands (ev): -19.6037 -19.6037 -19.4938 -19.4938 -18.5551 -18.5551 -17.4920 -17.4920 -16.6935 -16.6935 -16.5262 -16.5262 -15.9074 -15.9074 -15.0108 -15.0108 -14.3718 -14.3718 -2.8383 -2.8383 -2.6650 -2.6650 -0.6669 -0.6669 -0.0749 -0.0749 0.5685 0.5685 0.6036 0.6036 0.7118 0.7118 0.8271 0.8271 1.7144 1.7144 1.7525 1.7525 2.5428 2.5428 2.5989 2.5989 7.5789 7.5789 13.3776 13.3776 14.9938 14.9938 15.9473 15.9473 k = 0.4363 0.4494 0.1088 ( 2614 PWs) bands (ev): -19.6006 -19.6006 -19.4806 -19.4806 -18.5568 -18.5568 -17.4894 -17.4894 -16.6958 -16.6958 -16.5267 -16.5267 -15.9078 -15.9078 -15.0332 -15.0332 -14.3768 -14.3768 -2.8568 -2.8568 -2.6630 -2.6630 -0.6416 -0.6416 -0.0734 -0.0734 0.5630 0.5630 0.5996 0.5996 0.7368 0.7368 0.8282 0.8282 1.7144 1.7144 1.7568 1.7568 2.5360 2.5360 2.5963 2.5963 7.6093 7.6093 13.3933 13.3933 14.9073 14.9073 15.9370 15.9370 k = 0.4299 0.4582 0.1197 ( 2610 PWs) bands (ev): -19.5978 -19.5978 -19.4656 -19.4656 -18.5586 -18.5586 -17.4866 -17.4866 -16.6983 -16.6983 -16.5272 -16.5272 -15.9082 -15.9082 -15.0579 -15.0579 -14.3818 -14.3818 -2.8768 -2.8768 -2.6599 -2.6599 -0.6153 -0.6153 -0.0718 -0.0718 0.5558 0.5558 0.5959 0.5959 0.7640 0.7640 0.8301 0.8301 1.7144 1.7144 1.7618 1.7618 2.5282 2.5282 2.5937 2.5937 7.6429 7.6429 13.4106 13.4106 14.8166 14.8166 15.9221 15.9221 k = 0.4235 0.4670 0.1306 ( 2610 PWs) bands (ev): -19.5954 -19.5954 -19.4488 -19.4488 -18.5607 -18.5607 -17.4836 -17.4836 -16.7011 -16.7011 -16.5278 -16.5278 -15.9087 -15.9087 -15.0847 -15.0847 -14.3868 -14.3868 -2.8981 -2.8981 -2.6557 -2.6557 -0.5884 -0.5884 -0.0702 -0.0702 0.5467 0.5467 0.5926 0.5926 0.7926 0.7926 0.8335 0.8335 1.7144 1.7144 1.7674 1.7674 2.5195 2.5195 2.5910 2.5910 7.6796 7.6796 13.4293 13.4293 14.7224 14.7224 15.9033 15.9033 k = 0.4172 0.4758 0.1415 ( 2612 PWs) bands (ev): -19.5933 -19.5933 -19.4303 -19.4303 -18.5628 -18.5628 -17.4803 -17.4803 -16.7043 -16.7043 -16.5284 -16.5284 -15.9092 -15.9092 -15.1135 -15.1135 -14.3917 -14.3917 -2.9202 -2.9202 -2.6507 -2.6507 -0.5611 -0.5611 -0.0686 -0.0686 0.5360 0.5360 0.5896 0.5896 0.8191 0.8191 0.8416 0.8416 1.7144 1.7144 1.7735 1.7735 2.5099 2.5099 2.5882 2.5882 7.7195 7.7195 13.4494 13.4494 14.6249 14.6249 15.8813 15.8813 k = 0.4108 0.4846 0.1524 ( 2612 PWs) bands (ev): -19.5914 -19.5914 -19.4102 -19.4102 -18.5652 -18.5652 -17.4767 -17.4767 -16.7077 -16.7077 -16.5291 -16.5291 -15.9097 -15.9097 -15.1442 -15.1442 -14.3965 -14.3965 -2.9429 -2.9429 -2.6450 -2.6450 -0.5336 -0.5336 -0.0670 -0.0670 0.5236 0.5236 0.5869 0.5869 0.8326 0.8326 0.8652 0.8652 1.7145 1.7145 1.7803 1.7803 2.4993 2.4993 2.5854 2.5854 7.7625 7.7625 13.4708 13.4708 14.5247 14.5247 15.8567 15.8567 k = 0.4044 0.4935 0.1632 ( 2616 PWs) bands (ev): -19.5897 -19.5897 -19.3887 -19.3887 -18.5677 -18.5677 -17.4730 -17.4730 -16.7115 -16.7115 -16.5298 -16.5298 -15.9103 -15.9103 -15.1766 -15.1766 -14.4011 -14.4011 -2.9658 -2.9658 -2.6387 -2.6387 -0.5060 -0.5060 -0.0656 -0.0656 0.5097 0.5097 0.5844 0.5844 0.8391 0.8391 0.8979 0.8979 1.7146 1.7146 1.7876 1.7876 2.4879 2.4879 2.5823 2.5823 7.8085 7.8085 13.4933 13.4933 14.4223 14.4223 15.8299 15.8299 k = 0.3980 0.5023 0.1741 ( 2616 PWs) bands (ev): -19.5881 -19.5881 -19.3659 -19.3659 -18.5704 -18.5704 -17.4690 -17.4690 -16.7156 -16.7156 -16.5305 -16.5305 -15.9109 -15.9109 -15.2104 -15.2104 -14.4055 -14.4055 -2.9889 -2.9889 -2.6319 -2.6319 -0.4787 -0.4787 -0.0643 -0.0643 0.4946 0.4946 0.5820 0.5820 0.8451 0.8451 0.9332 0.9332 1.7150 1.7150 1.7954 1.7954 2.4757 2.4757 2.5791 2.5791 7.8575 7.8575 13.5167 13.5167 14.3182 14.3182 15.8015 15.8015 k = 0.3917 0.5111 0.1850 ( 2612 PWs) bands (ev): -19.5867 -19.5867 -19.3418 -19.3418 -18.5732 -18.5732 -17.4648 -17.4648 -16.7201 -16.7201 -16.5313 -16.5313 -15.9115 -15.9115 -15.2456 -15.2456 -14.4096 -14.4096 -3.0117 -3.0117 -2.6246 -2.6246 -0.4515 -0.4515 -0.0631 -0.0631 0.4783 0.4783 0.5797 0.5797 0.8515 0.8515 0.9696 0.9696 1.7156 1.7156 1.8037 1.8037 2.4627 2.4627 2.5756 2.5756 7.9093 7.9093 13.5404 13.5404 14.2131 14.2131 15.7719 15.7719 k = 0.3853 0.5199 0.1959 ( 2614 PWs) bands (ev): -19.5855 -19.5855 -19.3168 -19.3168 -18.5762 -18.5762 -17.4604 -17.4604 -16.7249 -16.7249 -16.5321 -16.5321 -15.9121 -15.9121 -15.2818 -15.2818 -14.4136 -14.4136 -3.0343 -3.0343 -2.6170 -2.6170 -0.4247 -0.4247 -0.0623 -0.0623 0.4610 0.4610 0.5775 0.5775 0.8585 0.8585 1.0066 1.0066 1.7165 1.7165 1.8126 1.8126 2.4490 2.4490 2.5719 2.5719 7.9637 7.9637 13.5637 13.5637 14.1084 14.1084 15.7412 15.7412 k = 0.3789 0.5288 0.2068 ( 2606 PWs) bands (ev): -19.5843 -19.5843 -19.2907 -19.2907 -18.5793 -18.5793 -17.4557 -17.4557 -16.7302 -16.7302 -16.5329 -16.5329 -15.9128 -15.9128 -15.3187 -15.3187 -14.4173 -14.4173 -3.0564 -3.0564 -2.6091 -2.6091 -0.3982 -0.3982 -0.0617 -0.0617 0.4429 0.4429 0.5753 0.5753 0.8662 0.8662 1.0439 1.0439 1.7176 1.7176 1.8219 1.8219 2.4345 2.4345 2.5678 2.5678 8.0207 8.0207 13.5844 13.5844 14.0063 14.0063 15.7100 15.7100 k = 0.3726 0.5376 0.2177 ( 2610 PWs) bands (ev): -19.5832 -19.5832 -19.2640 -19.2640 -18.5825 -18.5825 -17.4509 -17.4509 -16.7358 -16.7358 -16.5337 -16.5337 -15.9135 -15.9135 -15.3562 -15.3562 -14.4207 -14.4207 -3.0779 -3.0779 -2.6010 -2.6010 -0.3722 -0.3722 -0.0616 -0.0616 0.4241 0.4241 0.5732 0.5732 0.8747 0.8747 1.0811 1.0811 1.7191 1.7191 1.8317 1.8317 2.4194 2.4194 2.5634 2.5634 8.0800 8.0800 13.5975 13.5975 13.9123 13.9123 15.6784 15.6784 k = 0.3662 0.5464 0.2285 ( 2610 PWs) bands (ev): -19.5822 -19.5822 -19.2366 -19.2366 -18.5859 -18.5859 -17.4459 -17.4459 -16.7418 -16.7418 -16.5345 -16.5345 -15.9142 -15.9142 -15.3939 -15.3939 -14.4239 -14.4239 -3.0987 -3.0987 -2.5927 -2.5927 -0.3466 -0.3466 -0.0619 -0.0619 0.4048 0.4048 0.5712 0.5712 0.8838 0.8838 1.1179 1.1179 1.7209 1.7209 1.8419 1.8419 2.4037 2.4037 2.5586 2.5586 8.1414 8.1414 13.5903 13.5903 13.8395 13.8395 15.6467 15.6467 k = 0.3598 0.5552 0.2394 ( 2612 PWs) bands (ev): -19.5812 -19.5812 -19.2087 -19.2087 -18.5895 -18.5895 -17.4407 -17.4407 -16.7483 -16.7483 -16.5354 -16.5354 -15.9149 -15.9149 -15.4316 -15.4316 -14.4269 -14.4269 -3.1188 -3.1188 -2.5843 -2.5843 -0.3214 -0.3214 -0.0627 -0.0627 0.3851 0.3851 0.5693 0.5693 0.8936 0.8936 1.1540 1.1540 1.7231 1.7231 1.8526 1.8526 2.3874 2.3874 2.5533 2.5533 8.2045 8.2045 13.5442 13.5442 13.8068 13.8068 15.6151 15.6151 k = 0.3534 0.5640 0.2503 ( 2612 PWs) bands (ev): -19.5803 -19.5803 -19.1806 -19.1806 -18.5932 -18.5932 -17.4354 -17.4354 -16.7551 -16.7551 -16.5362 -16.5362 -15.9157 -15.9157 -15.4689 -15.4689 -14.4297 -14.4297 -3.1380 -3.1380 -2.5759 -2.5759 -0.2966 -0.2966 -0.0643 -0.0643 0.3654 0.3654 0.5674 0.5674 0.9041 0.9041 1.1892 1.1892 1.7255 1.7255 1.8636 1.8636 2.3705 2.3705 2.5476 2.5476 8.2690 8.2690 13.4631 13.4631 13.8109 13.8109 15.5839 15.5839 k = 0.3471 0.5729 0.2612 ( 2612 PWs) bands (ev): -19.5794 -19.5794 -19.1523 -19.1523 -18.5971 -18.5971 -17.4299 -17.4299 -16.7624 -16.7624 -16.5371 -16.5371 -15.9164 -15.9164 -15.5056 -15.5056 -14.4322 -14.4322 -3.1564 -3.1564 -2.5675 -2.5675 -0.2723 -0.2723 -0.0666 -0.0666 0.3458 0.3458 0.5656 0.5656 0.9152 0.9152 1.2231 1.2231 1.7283 1.7283 1.8751 1.8751 2.3532 2.3532 2.5413 2.5413 8.3344 8.3344 13.3658 13.3658 13.8335 13.8335 15.5532 15.5532 k = 0.3407 0.5817 0.2721 ( 2600 PWs) bands (ev): -19.5785 -19.5785 -19.1241 -19.1241 -18.6011 -18.6011 -17.4242 -17.4242 -16.7699 -16.7699 -16.5379 -16.5379 -15.9172 -15.9172 -15.5414 -15.5414 -14.4346 -14.4346 -3.1737 -3.1737 -2.5591 -2.5591 -0.2485 -0.2485 -0.0698 -0.0698 0.3265 0.3265 0.5639 0.5639 0.9269 0.9269 1.2557 1.2557 1.7315 1.7315 1.8870 1.8870 2.3353 2.3353 2.5346 2.5346 8.4003 8.4003 13.2627 13.2627 13.8647 13.8647 15.5232 15.5232 k = 0.3343 0.5905 0.2830 ( 2600 PWs) bands (ev): -19.5777 -19.5777 -19.0962 -19.0962 -18.6054 -18.6054 -17.4184 -17.4184 -16.7778 -16.7778 -16.5387 -16.5387 -15.9181 -15.9181 -15.5760 -15.5760 -14.4368 -14.4368 -3.1900 -3.1900 -2.5509 -2.5509 -0.2253 -0.2253 -0.0740 -0.0740 0.3079 0.3079 0.5623 0.5623 0.9392 0.9392 1.2868 1.2868 1.7347 1.7347 1.8993 1.8993 2.3170 2.3170 2.5273 2.5273 8.4660 8.4660 13.1584 13.1584 13.9006 13.9006 15.4941 15.4941 k = 0.3280 0.5993 0.2938 ( 2604 PWs) bands (ev): -19.5769 -19.5769 -19.0687 -19.0687 -18.6098 -18.6098 -17.4125 -17.4125 -16.7860 -16.7860 -16.5395 -16.5395 -15.9189 -15.9189 -15.6091 -15.6091 -14.4388 -14.4388 -3.2053 -3.2053 -2.5429 -2.5429 -0.2028 -0.2028 -0.0791 -0.0791 0.2901 0.2901 0.5608 0.5608 0.9520 0.9520 1.3161 1.3161 1.7381 1.7381 1.9119 1.9119 2.2982 2.2982 2.5195 2.5195 8.5309 8.5309 13.0551 13.0551 13.9397 13.9397 15.4660 15.4660 k = 0.3216 0.6082 0.3047 ( 2600 PWs) bands (ev): -19.5761 -19.5761 -19.0419 -19.0419 -18.6145 -18.6145 -17.4064 -17.4064 -16.7944 -16.7944 -16.5403 -16.5403 -15.9198 -15.9198 -15.6404 -15.6404 -14.4406 -14.4406 -3.2194 -3.2194 -2.5351 -2.5351 -0.1816 -0.1816 -0.0848 -0.0848 0.2735 0.2735 0.5595 0.5595 0.9653 0.9653 1.3438 1.3438 1.7416 1.7416 1.9249 1.9249 2.2791 2.2791 2.5110 2.5110 8.5942 8.5942 12.9544 12.9544 13.9813 13.9813 15.4392 15.4392 k = 0.3152 0.6170 0.3156 ( 2604 PWs) bands (ev): -19.5754 -19.5754 -19.0160 -19.0160 -18.6195 -18.6195 -17.4002 -17.4002 -16.8028 -16.8028 -16.5411 -16.5411 -15.9208 -15.9208 -15.6697 -15.6697 -14.4423 -14.4423 -3.2325 -3.2325 -2.5275 -2.5275 -0.1630 -0.1630 -0.0900 -0.0900 0.2584 0.2584 0.5584 0.5584 0.9791 0.9791 1.3697 1.3697 1.7449 1.7449 1.9381 1.9381 2.2597 2.2597 2.5019 2.5019 8.6550 8.6550 12.8576 12.8576 14.0250 14.0250 15.4136 15.4136 k = 0.3152 0.6170 0.3156 ( 2604 PWs) bands (ev): -19.5754 -19.5754 -19.0160 -19.0160 -18.6195 -18.6195 -17.4002 -17.4002 -16.8028 -16.8028 -16.5411 -16.5411 -15.9208 -15.9208 -15.6697 -15.6697 -14.4423 -14.4423 -3.2325 -3.2325 -2.5275 -2.5275 -0.1630 -0.1630 -0.0900 -0.0900 0.2584 0.2584 0.5584 0.5584 0.9791 0.9791 1.3697 1.3697 1.7449 1.7449 1.9381 1.9381 2.2597 2.2597 2.5019 2.5019 8.6550 8.6550 12.8576 12.8576 14.0250 14.0250 15.4136 15.4136 k = 0.3015 0.6131 0.3204 ( 2606 PWs) bands (ev): -19.5751 -19.5751 -19.0047 -19.0047 -18.6221 -18.6221 -17.3973 -17.3973 -16.8066 -16.8066 -16.5414 -16.5414 -15.9213 -15.9213 -15.6820 -15.6820 -14.4430 -14.4430 -3.2379 -3.2379 -2.5242 -2.5242 -0.1623 -0.1623 -0.0857 -0.0857 0.2527 0.2527 0.5580 0.5580 0.9851 0.9851 1.3805 1.3805 1.7468 1.7468 1.9440 1.9440 2.2509 2.2509 2.4973 2.4973 8.6805 8.6805 12.8154 12.8154 14.0469 14.0469 15.4026 15.4026 k = 0.2878 0.6091 0.3253 ( 2600 PWs) bands (ev): -19.5748 -19.5748 -18.9935 -18.9935 -18.6253 -18.6253 -17.3939 -17.3939 -16.8103 -16.8103 -16.5417 -16.5417 -15.9217 -15.9217 -15.6939 -15.6939 -14.4437 -14.4437 -3.2431 -3.2431 -2.5208 -2.5208 -0.1723 -0.1723 -0.0716 -0.0716 0.2483 0.2483 0.5576 0.5576 0.9907 0.9907 1.3907 1.3907 1.7498 1.7498 1.9497 1.9497 2.2422 2.2422 2.4918 2.4918 8.7044 8.7044 12.7730 12.7730 14.0728 14.0728 15.3916 15.3916 k = 0.2741 0.6052 0.3301 ( 2602 PWs) bands (ev): -19.5744 -19.5744 -18.9823 -18.9823 -18.6290 -18.6290 -17.3902 -17.3902 -16.8140 -16.8140 -16.5421 -16.5421 -15.9222 -15.9222 -15.7052 -15.7052 -14.4443 -14.4443 -3.2479 -3.2479 -2.5174 -2.5174 -0.1879 -0.1879 -0.0529 -0.0529 0.2451 0.2451 0.5573 0.5573 0.9958 0.9958 1.4003 1.4003 1.7537 1.7537 1.9552 1.9552 2.2336 2.2336 2.4854 2.4854 8.7267 8.7267 12.7308 12.7308 14.1021 14.1021 15.3808 15.3808 k = 0.2604 0.6013 0.3350 ( 2600 PWs) bands (ev): -19.5741 -19.5741 -18.9711 -18.9711 -18.6332 -18.6332 -17.3862 -17.3862 -16.8177 -16.8177 -16.5424 -16.5424 -15.9227 -15.9227 -15.7161 -15.7161 -14.4450 -14.4450 -3.2525 -3.2525 -2.5140 -2.5140 -0.2059 -0.2059 -0.0327 -0.0327 0.2432 0.2432 0.5571 0.5571 1.0004 1.0004 1.4095 1.4095 1.7586 1.7586 1.9605 1.9605 2.2250 2.2250 2.4780 2.4780 8.7475 8.7475 12.6890 12.6890 14.1346 14.1346 15.3701 15.3701 k = 0.2467 0.5974 0.3398 ( 2604 PWs) bands (ev): -19.5737 -19.5737 -18.9601 -18.9601 -18.6378 -18.6378 -17.3821 -17.3821 -16.8213 -16.8213 -16.5428 -16.5428 -15.9232 -15.9232 -15.7265 -15.7265 -14.4456 -14.4456 -3.2568 -3.2568 -2.5107 -2.5107 -0.2252 -0.2252 -0.0121 -0.0121 0.2424 0.2424 0.5569 0.5569 1.0045 1.0045 1.4183 1.4183 1.7645 1.7645 1.9656 1.9656 2.2165 2.2165 2.4697 2.4697 8.7669 8.7669 12.6480 12.6480 14.1698 14.1698 15.3598 15.3598 k = 0.2330 0.5934 0.3447 ( 2608 PWs) bands (ev): -19.5734 -19.5734 -18.9491 -18.9491 -18.6430 -18.6430 -17.3777 -17.3777 -16.8248 -16.8248 -16.5431 -16.5431 -15.9238 -15.9238 -15.7363 -15.7363 -14.4463 -14.4463 -3.2607 -3.2607 -2.5073 -2.5073 -0.2450 -0.2450 0.0081 0.0081 0.2427 0.2427 0.5567 0.5567 1.0081 1.0081 1.4266 1.4266 1.7713 1.7713 1.9705 1.9705 2.2081 2.2081 2.4605 2.4605 8.7849 8.7849 12.6079 12.6079 14.2072 14.2072 15.3499 15.3499 k = 0.2193 0.5895 0.3495 ( 2604 PWs) bands (ev): -19.5730 -19.5730 -18.9381 -18.9381 -18.6485 -18.6485 -17.3733 -17.3733 -16.8282 -16.8282 -16.5435 -16.5435 -15.9243 -15.9243 -15.7455 -15.7455 -14.4468 -14.4468 -3.2644 -3.2644 -2.5040 -2.5040 -0.2651 -0.2651 0.0277 0.0277 0.2441 0.2441 0.5566 0.5566 1.0113 1.0113 1.4346 1.4346 1.7791 1.7791 1.9752 1.9752 2.2000 2.2000 2.4503 2.4503 8.8015 8.8015 12.5691 12.5691 14.2465 14.2465 15.3405 15.3405 k = 0.2056 0.5856 0.3543 ( 2602 PWs) bands (ev): -19.5727 -19.5727 -18.9272 -18.9272 -18.6544 -18.6544 -17.3688 -17.3688 -16.8316 -16.8316 -16.5438 -16.5438 -15.9249 -15.9249 -15.7543 -15.7543 -14.4474 -14.4474 -3.2678 -3.2678 -2.5008 -2.5008 -0.2851 -0.2851 0.0465 0.0465 0.2464 0.2464 0.5566 0.5566 1.0141 1.0141 1.4422 1.4422 1.7879 1.7879 1.9797 1.9797 2.1920 2.1920 2.4392 2.4392 8.8168 8.8168 12.5317 12.5317 14.2872 14.2872 15.3316 15.3316 k = 0.1919 0.5817 0.3592 ( 2602 PWs) bands (ev): -19.5724 -19.5724 -18.9165 -18.9165 -18.6607 -18.6607 -17.3643 -17.3643 -16.8348 -16.8348 -16.5441 -16.5441 -15.9255 -15.9255 -15.7624 -15.7624 -14.4480 -14.4480 -3.2709 -3.2709 -2.4977 -2.4977 -0.3047 -0.3047 0.0641 0.0641 0.2495 0.2495 0.5566 0.5566 1.0165 1.0165 1.4493 1.4493 1.7975 1.7975 1.9840 1.9840 2.1843 2.1843 2.4272 2.4272 8.8310 8.8310 12.4960 12.4960 14.3290 14.3290 15.3234 15.3234 k = 0.1782 0.5777 0.3640 ( 2610 PWs) bands (ev): -19.5720 -19.5720 -18.9058 -18.9058 -18.6674 -18.6674 -17.3599 -17.3599 -16.8379 -16.8379 -16.5445 -16.5445 -15.9261 -15.9261 -15.7700 -15.7700 -14.4485 -14.4485 -3.2738 -3.2738 -2.4947 -2.4947 -0.3239 -0.3239 0.0806 0.0806 0.2534 0.2534 0.5566 0.5566 1.0185 1.0185 1.4560 1.4560 1.8081 1.8081 1.9881 1.9881 2.1769 2.1769 2.4144 2.4144 8.8439 8.8439 12.4620 12.4620 14.3712 14.3712 15.3160 15.3160 k = 0.1645 0.5738 0.3689 ( 2613 PWs) bands (ev): -19.5717 -19.5717 -18.8951 -18.8951 -18.6743 -18.6743 -17.3555 -17.3555 -16.8408 -16.8408 -16.5448 -16.5448 -15.9266 -15.9266 -15.7771 -15.7771 -14.4490 -14.4490 -3.2764 -3.2764 -2.4919 -2.4919 -0.3424 -0.3424 0.0957 0.0957 0.2579 0.2579 0.5566 0.5566 1.0202 1.0202 1.4623 1.4623 1.8195 1.8195 1.9921 1.9921 2.1697 2.1697 2.4008 2.4008 8.8557 8.8557 12.4300 12.4300 14.4135 14.4135 15.3094 15.3094 k = 0.1508 0.5699 0.3737 ( 2618 PWs) bands (ev): -19.5714 -19.5714 -18.8846 -18.8846 -18.6816 -18.6816 -17.3513 -17.3513 -16.8436 -16.8436 -16.5451 -16.5451 -15.9272 -15.9272 -15.7835 -15.7835 -14.4494 -14.4494 -3.2787 -3.2787 -2.4892 -2.4892 -0.3600 -0.3600 0.1095 0.1095 0.2630 0.2630 0.5567 0.5567 1.0217 1.0217 1.4681 1.4681 1.8316 1.8316 1.9958 1.9958 2.1629 2.1629 2.3866 2.3866 8.8664 8.8664 12.4001 12.4001 14.4554 14.4554 15.3038 15.3038 k = 0.1370 0.5660 0.3786 ( 2620 PWs) bands (ev): -19.5712 -19.5712 -18.8741 -18.8741 -18.6891 -18.6891 -17.3474 -17.3474 -16.8462 -16.8462 -16.5454 -16.5454 -15.9278 -15.9278 -15.7894 -15.7894 -14.4499 -14.4499 -3.2808 -3.2808 -2.4866 -2.4866 -0.3766 -0.3766 0.1219 0.1219 0.2683 0.2683 0.5567 0.5567 1.0231 1.0231 1.4734 1.4734 1.8444 1.8444 1.9994 1.9994 2.1565 2.1565 2.3718 2.3718 8.8761 8.8761 12.3724 12.3724 14.4962 14.4962 15.2992 15.2992 k = 0.1233 0.5620 0.3834 ( 2623 PWs) bands (ev): -19.5709 -19.5709 -18.8638 -18.8638 -18.6969 -18.6969 -17.3436 -17.3436 -16.8486 -16.8486 -16.5457 -16.5457 -15.9283 -15.9283 -15.7947 -15.7947 -14.4503 -14.4503 -3.2826 -3.2826 -2.4843 -2.4843 -0.3921 -0.3921 0.1329 0.1329 0.2738 0.2738 0.5568 0.5568 1.0242 1.0242 1.4781 1.4781 1.8577 1.8577 2.0027 2.0027 2.1505 2.1505 2.3567 2.3567 8.8848 8.8848 12.3470 12.3470 14.5354 14.5354 15.2956 15.2956 k = 0.1096 0.5581 0.3882 ( 2620 PWs) bands (ev): -19.5707 -19.5707 -18.8535 -18.8535 -18.7048 -18.7048 -17.3402 -17.3402 -16.8507 -16.8507 -16.5459 -16.5459 -15.9289 -15.9289 -15.7994 -15.7994 -14.4506 -14.4506 -3.2842 -3.2842 -2.4821 -2.4821 -0.4062 -0.4062 0.1426 0.1426 0.2793 0.2793 0.5569 0.5569 1.0252 1.0252 1.4822 1.4822 1.8714 1.8714 2.0059 2.0059 2.1449 2.1449 2.3413 2.3413 8.8925 8.8925 12.3240 12.3240 14.5725 14.5725 15.2931 15.2931 k = 0.0959 0.5542 0.3931 ( 2624 PWs) bands (ev): -19.5705 -19.5705 -18.8433 -18.8433 -18.7130 -18.7130 -17.3370 -17.3370 -16.8527 -16.8527 -16.5462 -16.5462 -15.9294 -15.9294 -15.8035 -15.8035 -14.4509 -14.4509 -3.2855 -3.2855 -2.4802 -2.4802 -0.4190 -0.4190 0.1509 0.1509 0.2845 0.2845 0.5570 0.5570 1.0261 1.0261 1.4859 1.4859 1.8851 1.8851 2.0089 2.0089 2.1398 2.1398 2.3261 2.3261 8.8992 8.8992 12.3035 12.3035 14.6069 14.6069 15.2916 15.2916 k = 0.0822 0.5503 0.3979 ( 2628 PWs) bands (ev): -19.5703 -19.5703 -18.8333 -18.8333 -18.7214 -18.7214 -17.3342 -17.3342 -16.8544 -16.8544 -16.5464 -16.5464 -15.9298 -15.9298 -15.8071 -15.8071 -14.4512 -14.4512 -3.2867 -3.2867 -2.4785 -2.4785 -0.4303 -0.4303 0.1580 0.1580 0.2894 0.2894 0.5571 0.5571 1.0269 1.0269 1.4890 1.4890 1.8985 1.8985 2.0116 2.0116 2.1352 2.1352 2.3113 2.3113 8.9050 8.9050 12.2856 12.2856 14.6379 14.6379 15.2910 15.2910 k = 0.0685 0.5463 0.4028 ( 2622 PWs) bands (ev): -19.5701 -19.5701 -18.8233 -18.8233 -18.7299 -18.7299 -17.3318 -17.3318 -16.8559 -16.8559 -16.5466 -16.5466 -15.9302 -15.9302 -15.8101 -15.8101 -14.4514 -14.4514 -3.2876 -3.2876 -2.4771 -2.4771 -0.4400 -0.4400 0.1640 0.1640 0.2938 0.2938 0.5572 0.5572 1.0276 1.0276 1.4915 1.4915 1.9113 1.9113 2.0141 2.0141 2.1312 2.1312 2.2974 2.2974 8.9098 8.9098 12.2704 12.2704 14.6651 14.6651 15.2912 15.2912 k = 0.0548 0.5424 0.4076 ( 2620 PWs) bands (ev): -19.5700 -19.5700 -18.8134 -18.8134 -18.7386 -18.7386 -17.3298 -17.3298 -16.8571 -16.8571 -16.5467 -16.5467 -15.9305 -15.9305 -15.8126 -15.8126 -14.4516 -14.4516 -3.2884 -3.2884 -2.4759 -2.4759 -0.4481 -0.4481 0.1688 0.1688 0.2975 0.2975 0.5573 0.5573 1.0282 1.0282 1.4936 1.4936 1.9229 1.9229 2.0163 2.0163 2.1278 2.1278 2.2847 2.2847 8.9138 8.9138 12.2578 12.2578 14.6880 14.6880 15.2920 15.2920 k = 0.0411 0.5385 0.4124 ( 2616 PWs) bands (ev): -19.5699 -19.5699 -18.8037 -18.8037 -18.7475 -18.7475 -17.3282 -17.3282 -16.8581 -16.8581 -16.5468 -16.5468 -15.9308 -15.9308 -15.8145 -15.8145 -14.4517 -14.4517 -3.2890 -3.2890 -2.4749 -2.4749 -0.4544 -0.4544 0.1724 0.1724 0.3005 0.3005 0.5573 0.5573 1.0287 1.0287 1.4952 1.4952 1.9328 1.9328 2.0182 2.0182 2.1251 2.1251 2.2740 2.2740 8.9169 8.9169 12.2480 12.2480 14.7062 14.7062 15.2931 15.2931 k = 0.0274 0.5346 0.4173 ( 2622 PWs) bands (ev): -19.5698 -19.5698 -18.7940 -18.7940 -18.7565 -18.7565 -17.3271 -17.3271 -16.8588 -16.8588 -16.5469 -16.5469 -15.9310 -15.9310 -15.8158 -15.8158 -14.4519 -14.4519 -3.2895 -3.2895 -2.4742 -2.4742 -0.4590 -0.4590 0.1751 0.1751 0.3027 0.3027 0.5574 0.5574 1.0290 1.0290 1.4963 1.4963 1.9403 1.9403 2.0196 2.0196 2.1232 2.1232 2.2657 2.2657 8.9191 8.9191 12.2410 12.2410 14.7193 14.7193 15.2941 15.2941 k = 0.0137 0.5306 0.4221 ( 2626 PWs) bands (ev): -19.5697 -19.5697 -18.7846 -18.7846 -18.7656 -18.7656 -17.3264 -17.3264 -16.8592 -16.8592 -16.5470 -16.5470 -15.9311 -15.9311 -15.8167 -15.8167 -14.4519 -14.4519 -3.2897 -3.2897 -2.4738 -2.4738 -0.4617 -0.4617 0.1766 0.1766 0.3040 0.3040 0.5574 0.5574 1.0292 1.0292 1.4969 1.4969 1.9451 1.9451 2.0206 2.0206 2.1219 2.1219 2.2604 2.2604 8.9204 8.9204 12.2368 12.2368 14.7273 14.7273 15.2949 15.2949 k = 0.0000 0.5267 0.4270 ( 2628 PWs) bands (ev): -19.5697 -19.5697 -18.7766 -18.7766 -18.7735 -18.7735 -17.3262 -17.3262 -16.8593 -16.8593 -16.5470 -16.5470 -15.9312 -15.9312 -15.8169 -15.8169 -14.4519 -14.4519 -3.2898 -3.2898 -2.4737 -2.4737 -0.4626 -0.4626 0.1771 0.1771 0.3045 0.3045 0.5574 0.5574 1.0293 1.0293 1.4972 1.4972 1.9468 1.9468 2.0209 2.0209 2.1215 2.1215 2.2586 2.2586 8.9208 8.9208 12.2354 12.2354 14.7300 14.7300 15.2951 15.2951 k = 0.0000 0.5267 0.4270 ( 2628 PWs) bands (ev): -19.5697 -19.5697 -18.7766 -18.7766 -18.7735 -18.7735 -17.3262 -17.3262 -16.8593 -16.8593 -16.5470 -16.5470 -15.9312 -15.9312 -15.8169 -15.8169 -14.4519 -14.4519 -3.2898 -3.2898 -2.4737 -2.4737 -0.4626 -0.4626 0.1771 0.1771 0.3045 0.3045 0.5574 0.5574 1.0293 1.0293 1.4972 1.4972 1.9468 1.9468 2.0209 2.0209 2.1215 2.1215 2.2586 2.2586 8.9208 8.9208 12.2354 12.2354 14.7300 14.7300 15.2951 15.2951 k = 0.0064 0.5178 0.4379 ( 2620 PWs) bands (ev): -19.5688 -19.5688 -18.7765 -18.7765 -18.7735 -18.7735 -17.3262 -17.3262 -16.8595 -16.8595 -16.5470 -16.5470 -15.9312 -15.9312 -15.8173 -15.8173 -14.4529 -14.4529 -3.3013 -3.3013 -2.4604 -2.4604 -0.4629 -0.4629 0.1767 0.1767 0.3043 0.3043 0.5585 0.5585 1.0289 1.0289 1.4968 1.4968 1.9455 1.9455 2.0195 2.0195 2.1237 2.1237 2.2602 2.2602 8.9221 8.9221 12.2349 12.2349 14.7284 14.7284 15.2909 15.2909 k = 0.0128 0.5089 0.4489 ( 2620 PWs) bands (ev): -19.5661 -19.5661 -18.7765 -18.7765 -18.7735 -18.7735 -17.3262 -17.3262 -16.8601 -16.8601 -16.5471 -16.5471 -15.9314 -15.9314 -15.8184 -15.8184 -14.4557 -14.4557 -3.3337 -3.3337 -2.4228 -2.4228 -0.4636 -0.4636 0.1752 0.1752 0.3039 0.3039 0.5616 0.5616 1.0277 1.0277 1.4957 1.4957 1.9420 1.9420 2.0156 2.0156 2.1299 2.1299 2.2649 2.2649 8.9260 8.9260 12.2336 12.2336 14.7238 14.7238 15.2783 15.2783 k = 0.0192 0.5001 0.4598 ( 2618 PWs) bands (ev): -19.5615 -19.5615 -18.7764 -18.7764 -18.7734 -18.7734 -17.3262 -17.3262 -16.8612 -16.8612 -16.5472 -16.5472 -15.9318 -15.9318 -15.8202 -15.8202 -14.4603 -14.4603 -3.3822 -3.3822 -2.3657 -2.3657 -0.4649 -0.4649 0.1730 0.1730 0.3031 0.3031 0.5667 0.5667 1.0259 1.0259 1.4940 1.4940 1.9364 1.9364 2.0096 2.0096 2.1394 2.1394 2.2725 2.2725 8.9324 8.9324 12.2314 12.2314 14.7159 14.7159 15.2575 15.2575 k = 0.0256 0.4912 0.4708 ( 2618 PWs) bands (ev): -19.5551 -19.5551 -18.7762 -18.7762 -18.7734 -18.7734 -17.3262 -17.3262 -16.8626 -16.8626 -16.5475 -16.5475 -15.9323 -15.9323 -15.8227 -15.8227 -14.4668 -14.4668 -3.4416 -3.4416 -2.2943 -2.2943 -0.4667 -0.4667 0.1700 0.1700 0.3020 0.3020 0.5735 0.5735 1.0233 1.0233 1.4916 1.4916 1.9294 1.9294 2.0022 2.0022 2.1516 2.1516 2.2825 2.2825 8.9415 8.9415 12.2284 12.2284 14.7049 14.7049 15.2290 15.2290 k = 0.0321 0.4823 0.4817 ( 2620 PWs) bands (ev): -19.5470 -19.5470 -18.7761 -18.7761 -18.7733 -18.7733 -17.3262 -17.3262 -16.8645 -16.8645 -16.5478 -16.5478 -15.9330 -15.9330 -15.8259 -15.8259 -14.4750 -14.4750 -3.5079 -3.5079 -2.2127 -2.2127 -0.4690 -0.4690 0.1664 0.1664 0.3007 0.3007 0.5819 0.5819 1.0203 1.0203 1.4885 1.4885 1.9213 1.9213 1.9937 1.9937 2.1659 2.1659 2.2945 2.2945 8.9532 8.9532 12.2244 12.2244 14.6905 14.6905 15.1932 15.1932 k = 0.0385 0.4734 0.4927 ( 2622 PWs) bands (ev): -19.5370 -19.5370 -18.7759 -18.7759 -18.7732 -18.7732 -17.3262 -17.3262 -16.8668 -16.8668 -16.5481 -16.5481 -15.9339 -15.9339 -15.8298 -15.8298 -14.4849 -14.4849 -3.5781 -3.5781 -2.1240 -2.1240 -0.4719 -0.4719 0.1625 0.1625 0.2990 0.2990 0.5916 0.5916 1.0169 1.0169 1.4850 1.4850 1.9125 1.9125 1.9847 1.9847 2.1817 2.1817 2.3080 2.3080 8.9676 8.9676 12.2196 12.2196 14.6726 14.6726 15.1508 15.1508 k = 0.0449 0.4646 0.5036 ( 2624 PWs) bands (ev): -19.5253 -19.5253 -18.7756 -18.7756 -18.7731 -18.7731 -17.3262 -17.3262 -16.8696 -16.8696 -16.5485 -16.5485 -15.9350 -15.9350 -15.8344 -15.8344 -14.4963 -14.4963 -3.6503 -3.6503 -2.0303 -2.0303 -0.4751 -0.4751 0.1584 0.1584 0.2970 0.2970 0.6021 0.6021 1.0133 1.0133 1.4810 1.4810 1.9033 1.9033 1.9752 1.9752 2.1988 2.1988 2.3229 2.3229 8.9846 8.9846 12.2140 12.2140 14.6509 14.6509 15.1027 15.1027 k = 0.0513 0.4557 0.5146 ( 2624 PWs) bands (ev): -19.5119 -19.5119 -18.7754 -18.7754 -18.7730 -18.7730 -17.3262 -17.3262 -16.8728 -16.8728 -16.5490 -16.5490 -15.9364 -15.9364 -15.8396 -15.8396 -14.5092 -14.5092 -3.7231 -3.7231 -1.9330 -1.9330 -0.4789 -0.4789 0.1542 0.1542 0.2947 0.2947 0.6133 0.6133 1.0098 1.0098 1.4766 1.4766 1.8938 1.8938 1.9657 1.9657 2.2169 2.2169 2.3386 2.3386 9.0044 9.0044 12.2075 12.2075 14.6250 14.6250 15.0497 15.0497 k = 0.0577 0.4468 0.5255 ( 2628 PWs) bands (ev): -19.4968 -19.4968 -18.7751 -18.7751 -18.7728 -18.7728 -17.3262 -17.3262 -16.8766 -16.8766 -16.5495 -16.5495 -15.9381 -15.9381 -15.8454 -15.8454 -14.5234 -14.5234 -3.7956 -3.7956 -1.8332 -1.8332 -0.4832 -0.4832 0.1502 0.1502 0.2921 0.2921 0.6248 0.6248 1.0065 1.0065 1.4720 1.4720 1.8843 1.8843 1.9561 1.9561 2.2357 2.2357 2.3550 2.3550 9.0269 9.0269 12.2001 12.2001 14.5944 14.5944 14.9932 14.9932 k = 0.0641 0.4379 0.5365 ( 2624 PWs) bands (ev): -19.4801 -19.4801 -18.7748 -18.7748 -18.7727 -18.7727 -17.3262 -17.3262 -16.8808 -16.8808 -16.5501 -16.5501 -15.9401 -15.9401 -15.8516 -15.8516 -14.5389 -14.5389 -3.8671 -3.8671 -1.7318 -1.7318 -0.4878 -0.4878 0.1463 0.1463 0.2891 0.2891 0.6362 0.6362 1.0039 1.0039 1.4672 1.4672 1.8748 1.8748 1.9466 1.9466 2.2551 2.2551 2.3719 2.3719 9.0522 9.0522 12.1919 12.1919 14.5583 14.5583 14.9345 14.9345 k = 0.0705 0.4291 0.5474 ( 2620 PWs) bands (ev): -19.4618 -19.4618 -18.7745 -18.7745 -18.7725 -18.7725 -17.3262 -17.3262 -16.8856 -16.8856 -16.5507 -16.5507 -15.9427 -15.9427 -15.8583 -15.8583 -14.5554 -14.5554 -3.9373 -3.9373 -1.6295 -1.6295 -0.4929 -0.4929 0.1427 0.1427 0.2859 0.2859 0.6471 0.6471 1.0021 1.0021 1.4623 1.4623 1.8653 1.8653 1.9373 1.9373 2.2749 2.2749 2.3889 2.3889 9.0803 9.0803 12.1829 12.1829 14.5155 14.5155 14.8752 14.8752 k = 0.0769 0.4202 0.5584 ( 2618 PWs) bands (ev): -19.4419 -19.4419 -18.7742 -18.7742 -18.7722 -18.7722 -17.3263 -17.3263 -16.8909 -16.8909 -16.5514 -16.5514 -15.9459 -15.9459 -15.8652 -15.8652 -14.5728 -14.5728 -4.0057 -4.0057 -1.5267 -1.5267 -0.4984 -0.4984 0.1395 0.1395 0.2825 0.2825 0.6571 0.6571 1.0016 1.0016 1.4575 1.4575 1.8559 1.8559 1.9281 1.9281 2.2949 2.2949 2.4061 2.4061 9.1112 9.1112 12.1732 12.1732 14.4651 14.4651 14.8171 14.8171 k = 0.0833 0.4113 0.5693 ( 2610 PWs) bands (ev): -19.4206 -19.4206 -18.7739 -18.7739 -18.7719 -18.7719 -17.3263 -17.3263 -16.8968 -16.8968 -16.5521 -16.5521 -15.9498 -15.9498 -15.8721 -15.8721 -14.5910 -14.5910 -4.0722 -4.0722 -1.4240 -1.4240 -0.5042 -0.5042 0.1367 0.1367 0.2788 0.2788 0.6660 0.6660 1.0025 1.0025 1.4529 1.4529 1.8465 1.8465 1.9192 1.9192 2.3152 2.3152 2.4232 2.4232 9.1451 9.1451 12.1626 12.1626 14.4060 14.4060 14.7617 14.7617 k = 0.0897 0.4024 0.5802 ( 2610 PWs) bands (ev): -19.3979 -19.3979 -18.7736 -18.7736 -18.7716 -18.7716 -17.3263 -17.3263 -16.9033 -16.9033 -16.5528 -16.5528 -15.9547 -15.9547 -15.8789 -15.8789 -14.6098 -14.6098 -4.1365 -4.1365 -1.3218 -1.3218 -0.5103 -0.5103 0.1344 0.1344 0.2748 0.2748 0.6735 0.6735 1.0053 1.0053 1.4486 1.4486 1.8373 1.8373 1.9105 1.9105 2.3355 2.3355 2.4401 2.4401 9.1819 9.1819 12.1513 12.1513 14.3380 14.3380 14.7099 14.7099 k = 0.0962 0.3936 0.5912 ( 2610 PWs) bands (ev): -19.3738 -19.3738 -18.7733 -18.7733 -18.7713 -18.7713 -17.3263 -17.3263 -16.9105 -16.9105 -16.5536 -16.5536 -15.9608 -15.9608 -15.8854 -15.8854 -14.6290 -14.6290 -4.1985 -4.1985 -1.2205 -1.2205 -0.5166 -0.5166 0.1325 0.1325 0.2707 0.2707 0.6792 0.6792 1.0100 1.0100 1.4447 1.4447 1.8280 1.8280 1.9020 1.9020 2.3557 2.3557 2.4567 2.4567 9.2217 9.2217 12.1394 12.1394 14.2613 14.2613 14.6621 14.6621 k = 0.1026 0.3847 0.6021 ( 2612 PWs) bands (ev): -19.3486 -19.3486 -18.7731 -18.7731 -18.7708 -18.7708 -17.3263 -17.3263 -16.9183 -16.9183 -16.5545 -16.5545 -15.9681 -15.9681 -15.8913 -15.8913 -14.6485 -14.6485 -4.2582 -4.2582 -1.1206 -1.1206 -0.5232 -0.5232 0.1310 0.1310 0.2664 0.2664 0.6832 0.6832 1.0168 1.0168 1.4413 1.4413 1.8189 1.8189 1.8936 1.8936 2.3759 2.3759 2.4729 2.4729 9.2645 9.2645 12.1267 12.1267 14.1767 14.1767 14.6180 14.6180 k = 0.1090 0.3758 0.6131 ( 2616 PWs) bands (ev): -19.3221 -19.3221 -18.7728 -18.7728 -18.7704 -18.7704 -17.3264 -17.3264 -16.9269 -16.9269 -16.5554 -16.5554 -15.9769 -15.9769 -15.8965 -15.8965 -14.6680 -14.6680 -4.3153 -4.3153 -1.0224 -1.0224 -0.5298 -0.5298 0.1299 0.1299 0.2619 0.2619 0.6855 0.6855 1.0257 1.0257 1.4385 1.4385 1.8097 1.8097 1.8854 1.8854 2.3958 2.3958 2.4886 2.4886 9.3103 9.3103 12.1135 12.1135 14.0855 14.0855 14.5770 14.5770 k = 0.1154 0.3669 0.6240 ( 2614 PWs) bands (ev): -19.2947 -19.2947 -18.7726 -18.7726 -18.7699 -18.7699 -17.3264 -17.3264 -16.9361 -16.9361 -16.5563 -16.5563 -15.9869 -15.9869 -15.9009 -15.9009 -14.6875 -14.6875 -4.3699 -4.3699 -0.9263 -0.9263 -0.5365 -0.5365 0.1292 0.1292 0.2573 0.2573 0.6861 0.6861 1.0365 1.0365 1.4365 1.4365 1.8006 1.8006 1.8772 1.8772 2.4154 2.4154 2.5038 2.5038 9.3593 9.3593 12.0996 12.0996 13.9887 13.9887 14.5385 14.5385 k = 0.1218 0.3581 0.6350 ( 2614 PWs) bands (ev): -19.2663 -19.2663 -18.7724 -18.7724 -18.7694 -18.7694 -17.3264 -17.3264 -16.9462 -16.9462 -16.5572 -16.5572 -15.9982 -15.9982 -15.9046 -15.9046 -14.7068 -14.7068 -4.4219 -4.4219 -0.8327 -0.8327 -0.5431 -0.5431 0.1288 0.1288 0.2526 0.2526 0.6852 0.6852 1.0491 1.0491 1.4354 1.4354 1.7915 1.7915 1.8691 1.8691 2.4346 2.4346 2.5183 2.5183 9.4112 9.4112 12.0853 12.0853 13.8875 13.8875 14.5020 14.5020 k = 0.1282 0.3492 0.6459 ( 2616 PWs) bands (ev): -19.2371 -19.2371 -18.7722 -18.7722 -18.7689 -18.7689 -17.3265 -17.3265 -16.9569 -16.9569 -16.5581 -16.5581 -16.0104 -16.0104 -15.9078 -15.9078 -14.7258 -14.7258 -4.4714 -4.4714 -0.7423 -0.7423 -0.5493 -0.5493 0.1287 0.1287 0.2478 0.2478 0.6830 0.6830 1.0631 1.0631 1.4353 1.4353 1.7824 1.7824 1.8610 1.8610 2.4533 2.4533 2.5322 2.5322 9.4663 9.4663 12.0704 12.0704 13.7826 13.7826 14.4672 14.4672 k = 0.1346 0.3403 0.6569 ( 2614 PWs) bands (ev): -19.2072 -19.2072 -18.7720 -18.7720 -18.7683 -18.7683 -17.3265 -17.3265 -16.9685 -16.9685 -16.5591 -16.5591 -16.0235 -16.0235 -15.9104 -15.9104 -14.7442 -14.7442 -4.5182 -4.5182 -0.6565 -0.6565 -0.5539 -0.5539 0.1289 0.1289 0.2431 0.2431 0.6799 0.6799 1.0784 1.0784 1.4362 1.4362 1.7733 1.7733 1.8529 1.8529 2.4715 2.4715 2.5454 2.5454 9.5244 9.5244 12.0551 12.0551 13.6748 13.6748 14.4340 14.4340 k = 0.1410 0.3314 0.6678 ( 2614 PWs) bands (ev): -19.1769 -19.1769 -18.7719 -18.7719 -18.7678 -18.7678 -17.3265 -17.3265 -16.9808 -16.9808 -16.5600 -16.5600 -16.0371 -16.0371 -15.9127 -15.9127 -14.7621 -14.7621 -4.5624 -4.5624 -0.5882 -0.5882 -0.5443 -0.5443 0.1293 0.1293 0.2384 0.2384 0.6761 0.6761 1.0946 1.0946 1.4382 1.4382 1.7642 1.7642 1.8447 1.8447 2.4892 2.4892 2.5578 2.5578 9.5855 9.5855 12.0394 12.0394 13.5648 13.5648 14.4022 14.4022 k = 0.1474 0.3226 0.6788 ( 2610 PWs) bands (ev): -19.1462 -19.1462 -18.7717 -18.7717 -18.7672 -18.7672 -17.3266 -17.3266 -16.9938 -16.9938 -16.5609 -16.5609 -16.0510 -16.0510 -15.9146 -15.9146 -14.7792 -14.7792 -4.6039 -4.6039 -0.5778 -0.5778 -0.4803 -0.4803 0.1298 0.1298 0.2337 0.2337 0.6717 0.6717 1.1115 1.1115 1.4415 1.4415 1.7551 1.7551 1.8363 1.8363 2.5061 2.5061 2.5694 2.5694 9.6496 9.6496 12.0234 12.0234 13.4532 13.4532 14.3718 14.3718 k = 0.1538 0.3137 0.6897 ( 2606 PWs) bands (ev): -19.1154 -19.1154 -18.7716 -18.7716 -18.7666 -18.7666 -17.3266 -17.3266 -17.0074 -17.0074 -16.5619 -16.5619 -16.0651 -16.0651 -15.9162 -15.9162 -14.7956 -14.7956 -4.6428 -4.6428 -0.5819 -0.5819 -0.4055 -0.4055 0.1305 0.1305 0.2291 0.2291 0.6670 0.6670 1.1289 1.1289 1.4460 1.4460 1.7459 1.7459 1.8278 1.8278 2.5223 2.5223 2.5802 2.5802 9.7165 9.7165 12.0069 12.0069 13.3406 13.3406 14.3428 14.3428 k = 0.1603 0.3048 0.7007 ( 2606 PWs) bands (ev): -19.0846 -19.0846 -18.7715 -18.7715 -18.7661 -18.7661 -17.3267 -17.3267 -17.0217 -17.0217 -16.5628 -16.5628 -16.0791 -16.0791 -15.9176 -15.9176 -14.8110 -14.8110 -4.6792 -4.6792 -0.5874 -0.5874 -0.3334 -0.3334 0.1312 0.1312 0.2248 0.2248 0.6622 0.6622 1.1464 1.1464 1.4519 1.4519 1.7368 1.7368 1.8190 1.8190 2.5378 2.5378 2.5902 2.5902 9.7862 9.7862 11.9901 11.9901 13.2277 13.2277 14.3152 14.3152 k = 0.1667 0.2959 0.7116 ( 2606 PWs) bands (ev): -19.0542 -19.0542 -18.7714 -18.7714 -18.7655 -18.7655 -17.3268 -17.3268 -17.0365 -17.0365 -16.5637 -16.5637 -16.0929 -16.0929 -15.9189 -15.9189 -14.8256 -14.8256 -4.7129 -4.7129 -0.5931 -0.5931 -0.2654 -0.2654 0.1319 0.1319 0.2206 0.2206 0.6574 0.6574 1.1640 1.1640 1.4591 1.4591 1.7277 1.7277 1.8099 1.8099 2.5523 2.5523 2.5994 2.5994 9.8585 9.8585 11.9728 11.9728 13.1149 13.1149 14.2891 14.2891 k = 0.1731 0.2871 0.7226 ( 2610 PWs) bands (ev): -19.0242 -19.0242 -18.7713 -18.7713 -18.7649 -18.7649 -17.3268 -17.3268 -17.0516 -17.0516 -16.5646 -16.5646 -16.1063 -16.1063 -15.9200 -15.9200 -14.8391 -14.8391 -4.7440 -4.7440 -0.5987 -0.5987 -0.2020 -0.2020 0.1327 0.1327 0.2167 0.2167 0.6527 0.6527 1.1814 1.1814 1.4677 1.4677 1.7187 1.7187 1.8004 1.8004 2.5660 2.5660 2.6078 2.6078 9.9331 9.9331 11.9550 11.9550 13.0031 13.0031 14.2646 14.2646 k = 0.1795 0.2782 0.7335 ( 2608 PWs) bands (ev): -18.9951 -18.9951 -18.7712 -18.7712 -18.7642 -18.7642 -17.3269 -17.3269 -17.0670 -17.0670 -16.5655 -16.5655 -16.1191 -16.1191 -15.9210 -15.9210 -14.8516 -14.8516 -4.7726 -4.7726 -0.6040 -0.6040 -0.1435 -0.1435 0.1334 0.1334 0.2132 0.2132 0.6482 0.6482 1.1984 1.1984 1.4775 1.4775 1.7098 1.7098 1.7905 1.7905 2.5788 2.5788 2.6153 2.6153 10.0098 10.0098 11.9365 11.9365 12.8931 12.8931 14.2417 14.2417 k = 0.1859 0.2693 0.7445 ( 2606 PWs) bands (ev): -18.9670 -18.9670 -18.7712 -18.7712 -18.7636 -18.7636 -17.3270 -17.3270 -17.0823 -17.0823 -16.5663 -16.5663 -16.1312 -16.1312 -15.9218 -15.9218 -14.8631 -14.8631 -4.7986 -4.7986 -0.6090 -0.6090 -0.0902 -0.0902 0.1341 0.1341 0.2101 0.2101 0.6440 0.6440 1.2149 1.2149 1.4887 1.4887 1.7011 1.7011 1.7802 1.7802 2.5905 2.5905 2.6221 2.6221 10.0882 10.0882 11.9169 11.9169 12.7859 12.7859 14.2205 14.2205 k = 0.1923 0.2604 0.7554 ( 2610 PWs) bands (ev): -18.9403 -18.9403 -18.7712 -18.7712 -18.7629 -18.7629 -17.3271 -17.3271 -17.0974 -17.0974 -16.5671 -16.5671 -16.1425 -16.1425 -15.9226 -15.9226 -14.8735 -14.8735 -4.8220 -4.8220 -0.6136 -0.6136 -0.0422 -0.0422 0.1347 0.1347 0.2076 0.2076 0.6401 0.6401 1.2307 1.2307 1.5010 1.5010 1.6926 1.6926 1.7693 1.7693 2.6012 2.6012 2.6282 2.6282 10.1677 10.1677 11.8958 11.8958 12.6826 12.6826 14.2012 14.2012 k = 0.1987 0.2516 0.7664 ( 2608 PWs) bands (ev): -18.9153 -18.9153 -18.7712 -18.7712 -18.7621 -18.7621 -17.3272 -17.3272 -17.1121 -17.1121 -16.5678 -16.5678 -16.1528 -16.1528 -15.9232 -15.9232 -14.8827 -14.8827 -4.8430 -4.8430 -0.6178 -0.6178 0.0003 0.0003 0.1353 0.1353 0.2057 0.2057 0.6366 0.6366 1.2456 1.2456 1.5144 1.5144 1.6844 1.6844 1.7580 1.7580 2.6108 2.6108 2.6336 2.6336 10.2478 10.2478 11.8728 11.8728 12.5848 12.5848 14.1836 14.1836 k = 0.2051 0.2427 0.7773 ( 2610 PWs) bands (ev): -18.8924 -18.8924 -18.7712 -18.7712 -18.7614 -18.7614 -17.3273 -17.3273 -17.1260 -17.1260 -16.5684 -16.5684 -16.1621 -16.1621 -15.9238 -15.9238 -14.8910 -14.8910 -4.8614 -4.8614 -0.6216 -0.6216 0.0370 0.0370 0.1358 0.1358 0.2048 0.2048 0.6334 0.6334 1.2594 1.2594 1.5288 1.5288 1.6767 1.6767 1.7460 1.7460 2.6192 2.6192 2.6383 2.6383 10.3276 10.3276 11.8471 11.8471 12.4943 12.4943 14.1680 14.1680 k = 0.2115 0.2338 0.7883 ( 2610 PWs) bands (ev): -18.8718 -18.8718 -18.7713 -18.7713 -18.7605 -18.7605 -17.3274 -17.3274 -17.1388 -17.1388 -16.5690 -16.5690 -16.1703 -16.1703 -15.9243 -15.9243 -14.8981 -14.8981 -4.8773 -4.8773 -0.6250 -0.6250 0.0677 0.0677 0.1363 0.1363 0.2048 0.2048 0.6307 0.6307 1.2720 1.2720 1.5440 1.5440 1.6695 1.6695 1.7335 1.7335 2.6264 2.6264 2.6424 2.6424 10.4057 10.4057 11.8181 11.8181 12.4130 12.4130 14.1543 14.1543 k = 0.2179 0.2249 0.7992 ( 2620 PWs) bands (ev): -18.8539 -18.8539 -18.7715 -18.7715 -18.7595 -18.7595 -17.3275 -17.3275 -17.1503 -17.1503 -16.5695 -16.5695 -16.1774 -16.1774 -15.9247 -15.9247 -14.9041 -14.9041 -4.8908 -4.8908 -0.6278 -0.6278 0.0923 0.0923 0.1367 0.1367 0.2062 0.2062 0.6284 0.6284 1.2831 1.2831 1.5597 1.5597 1.6630 1.6630 1.7204 1.7204 2.6324 2.6324 2.6460 2.6460 10.4807 10.4807 11.7858 11.7858 12.3429 12.3429 14.1426 14.1426 k = 0.2244 0.2161 0.8102 ( 2622 PWs) bands (ev): -18.8390 -18.8390 -18.7716 -18.7716 -18.7585 -18.7585 -17.3276 -17.3276 -17.1601 -17.1601 -16.5699 -16.5699 -16.1832 -16.1832 -15.9250 -15.9250 -14.9090 -14.9090 -4.9018 -4.9018 -0.6302 -0.6302 0.1107 0.1107 0.1372 0.1372 0.2087 0.2087 0.6264 0.6264 1.2925 1.2925 1.5758 1.5758 1.6574 1.6574 1.7067 1.7067 2.6371 2.6371 2.6491 2.6491 10.5500 10.5500 11.7509 11.7509 12.2857 12.2857 14.1331 14.1331 k = 0.2308 0.2072 0.8211 ( 2626 PWs) bands (ev): -18.8272 -18.8272 -18.7718 -18.7718 -18.7574 -18.7574 -17.3277 -17.3277 -17.1681 -17.1681 -16.5702 -16.5702 -16.1878 -16.1878 -15.9253 -15.9253 -14.9128 -14.9128 -4.9104 -4.9104 -0.6320 -0.6320 0.1232 0.1232 0.1378 0.1378 0.2122 0.2122 0.6250 0.6250 1.3001 1.3001 1.5921 1.5921 1.6526 1.6526 1.6927 1.6927 2.6405 2.6405 2.6517 2.6517 10.6108 10.6108 11.7160 11.7160 12.2421 12.2421 14.1256 14.1256 k = 0.2372 0.1983 0.8321 ( 2630 PWs) bands (ev): -18.8189 -18.8189 -18.7720 -18.7720 -18.7565 -18.7565 -17.3277 -17.3277 -17.1740 -17.1740 -16.5705 -16.5705 -16.1910 -16.1910 -15.9255 -15.9255 -14.9155 -14.9155 -4.9165 -4.9165 -0.6333 -0.6333 0.1305 0.1305 0.1388 0.1388 0.2157 0.2157 0.6239 0.6239 1.3057 1.3057 1.6083 1.6083 1.6487 1.6487 1.6786 1.6786 2.6429 2.6429 2.6537 2.6537 10.6591 10.6591 11.6852 11.6852 12.2118 12.2118 14.1202 14.1202 k = 0.2436 0.1894 0.8430 ( 2634 PWs) bands (ev): -18.8138 -18.8138 -18.7722 -18.7722 -18.7558 -18.7558 -17.3278 -17.3278 -17.1776 -17.1776 -16.5706 -16.5706 -16.1930 -16.1930 -15.9256 -15.9256 -14.9171 -14.9171 -4.9201 -4.9201 -0.6341 -0.6341 0.1335 0.1335 0.1402 0.1402 0.2184 0.2184 0.6232 0.6232 1.3091 1.3091 1.6237 1.6237 1.6449 1.6449 1.6660 1.6660 2.6442 2.6442 2.6549 2.6549 10.6906 10.6906 11.6637 11.6637 12.1941 12.1941 14.1170 14.1170 k = 0.2500 0.1806 0.8540 ( 2640 PWs) bands (ev): -18.8122 -18.8122 -18.7722 -18.7722 -18.7555 -18.7555 -17.3278 -17.3278 -17.1788 -17.1788 -16.5707 -16.5707 -16.1937 -16.1937 -15.9257 -15.9257 -14.9177 -14.9177 -4.9214 -4.9214 -0.6344 -0.6344 0.1342 0.1342 0.1409 0.1409 0.2193 0.2193 0.6230 0.6230 1.3103 1.3103 1.6350 1.6350 1.6392 1.6392 1.6600 1.6600 2.6447 2.6447 2.6553 2.6553 10.7016 10.7016 11.6560 11.6560 12.1883 12.1883 14.1159 14.1159 k = 0.2500 0.1806 0.8540 ( 2640 PWs) bands (ev): -18.8122 -18.8122 -18.7722 -18.7722 -18.7555 -18.7555 -17.3278 -17.3278 -17.1788 -17.1788 -16.5707 -16.5707 -16.1937 -16.1937 -15.9257 -15.9257 -14.9177 -14.9177 -4.9214 -4.9214 -0.6344 -0.6344 0.1342 0.1342 0.1409 0.1409 0.2193 0.2193 0.6230 0.6230 1.3103 1.3103 1.6350 1.6350 1.6392 1.6392 1.6600 1.6600 2.6447 2.6447 2.6553 2.6553 10.7016 10.7016 11.6560 11.6560 12.1883 12.1883 14.1159 14.1159 k = 0.2600 0.1878 0.8450 ( 2630 PWs) bands (ev): -18.8127 -18.8127 -18.7722 -18.7722 -18.7556 -18.7556 -17.3278 -17.3278 -17.1784 -17.1784 -16.5707 -16.5707 -16.1934 -16.1934 -15.9256 -15.9256 -14.9175 -14.9175 -4.9210 -4.9210 -0.6335 -0.6335 0.1186 0.1186 0.1566 0.1566 0.2192 0.2192 0.6215 0.6215 1.3099 1.3099 1.6139 1.6139 1.6395 1.6395 1.6813 1.6813 2.6406 2.6406 2.6589 2.6589 10.6979 10.6979 11.6580 11.6580 12.1908 12.1908 14.1164 14.1164 k = 0.2700 0.1950 0.8361 ( 2626 PWs) bands (ev): -18.8144 -18.8144 -18.7724 -18.7724 -18.7556 -18.7556 -17.3277 -17.3277 -17.1772 -17.1772 -16.5706 -16.5706 -16.1928 -16.1928 -15.9256 -15.9256 -14.9170 -14.9170 -4.9199 -4.9199 -0.6308 -0.6308 0.1008 0.1008 0.1727 0.1727 0.2206 0.2206 0.6169 0.6169 1.3086 1.3086 1.5856 1.5856 1.6382 1.6382 1.7125 1.7125 2.6331 2.6331 2.6650 2.6650 10.6871 10.6871 11.6644 11.6644 12.1979 12.1979 14.1180 14.1180 k = 0.2800 0.2022 0.8272 ( 2624 PWs) bands (ev): -18.8172 -18.8172 -18.7731 -18.7731 -18.7551 -18.7551 -17.3277 -17.3277 -17.1752 -17.1752 -16.5705 -16.5705 -16.1917 -16.1917 -15.9255 -15.9255 -14.9161 -14.9161 -4.9180 -4.9180 -0.6264 -0.6264 0.0838 0.0838 0.1818 0.1818 0.2281 0.2281 0.6093 0.6093 1.3062 1.3062 1.5571 1.5571 1.6377 1.6377 1.7444 1.7444 2.6244 2.6244 2.6713 2.6713 10.6695 10.6695 11.6751 11.6751 12.2091 12.2091 14.1205 14.1205 k = 0.2900 0.2095 0.8183 ( 2621 PWs) bands (ev): -18.8210 -18.8210 -18.7748 -18.7748 -18.7539 -18.7539 -17.3276 -17.3276 -17.1725 -17.1725 -16.5704 -16.5704 -16.1902 -16.1902 -15.9254 -15.9254 -14.9148 -14.9148 -4.9154 -4.9154 -0.6202 -0.6202 0.0676 0.0676 0.1813 0.1813 0.2442 0.2442 0.5988 0.5988 1.3025 1.3025 1.5292 1.5292 1.6381 1.6381 1.7761 1.7761 2.6149 2.6149 2.6775 2.6775 10.6457 10.6457 11.6901 11.6901 12.2241 12.2241 14.1236 14.1236 k = 0.3000 0.2167 0.8094 ( 2618 PWs) bands (ev): -18.8256 -18.8256 -18.7776 -18.7776 -18.7519 -18.7519 -17.3276 -17.3276 -17.1691 -17.1691 -16.5703 -16.5703 -16.1882 -16.1882 -15.9253 -15.9253 -14.9132 -14.9132 -4.9120 -4.9120 -0.6123 -0.6123 0.0524 0.0524 0.1745 0.1745 0.2653 0.2653 0.5855 0.5855 1.2973 1.2973 1.5026 1.5026 1.6391 1.6391 1.8073 1.8073 2.6048 2.6048 2.6835 2.6835 10.6167 10.6167 11.7090 11.7090 12.2423 12.2423 14.1272 14.1272 k = 0.3100 0.2239 0.8005 ( 2615 PWs) bands (ev): -18.8308 -18.8308 -18.7816 -18.7816 -18.7492 -18.7492 -17.3276 -17.3276 -17.1649 -17.1649 -16.5701 -16.5701 -16.1858 -16.1858 -15.9252 -15.9252 -14.9113 -14.9113 -4.9079 -4.9079 -0.6028 -0.6028 0.0381 0.0381 0.1643 0.1643 0.2888 0.2888 0.5697 0.5697 1.2900 1.2900 1.4779 1.4779 1.6408 1.6408 1.8379 1.8379 2.5941 2.5941 2.6891 2.6891 10.5831 10.5831 11.7314 11.7314 12.2634 12.2634 14.1312 14.1312 k = 0.3200 0.2311 0.7916 ( 2615 PWs) bands (ev): -18.8367 -18.8367 -18.7865 -18.7865 -18.7459 -18.7459 -17.3277 -17.3277 -17.1600 -17.1600 -16.5699 -16.5699 -16.1830 -16.1830 -15.9250 -15.9250 -14.9091 -14.9091 -4.9031 -4.9031 -0.5917 -0.5917 0.0248 0.0248 0.1514 0.1514 0.3136 0.3136 0.5517 0.5517 1.2803 1.2803 1.4555 1.4555 1.6430 1.6430 1.8676 1.8676 2.5830 2.5830 2.6944 2.6944 10.5457 10.5457 11.7570 11.7570 12.2870 12.2870 14.1352 14.1352 k = 0.3300 0.2383 0.7827 ( 2613 PWs) bands (ev): -18.8432 -18.8432 -18.7923 -18.7923 -18.7423 -18.7423 -17.3279 -17.3279 -17.1544 -17.1544 -16.5697 -16.5697 -16.1797 -16.1797 -15.9249 -15.9249 -14.9065 -14.9065 -4.8974 -4.8974 -0.5791 -0.5791 0.0124 0.0124 0.1364 0.1364 0.3393 0.3393 0.5316 0.5316 1.2678 1.2678 1.4359 1.4359 1.6456 1.6456 1.8964 1.8964 2.5714 2.5714 2.6994 2.6994 10.5054 10.5054 11.7853 11.7853 12.3130 12.3130 14.1392 14.1392 k = 0.3400 0.2456 0.7738 ( 2613 PWs) bands (ev): -18.8501 -18.8501 -18.7989 -18.7989 -18.7384 -18.7384 -17.3282 -17.3282 -17.1482 -17.1482 -16.5694 -16.5694 -16.1760 -16.1760 -15.9246 -15.9246 -14.9035 -14.9035 -4.8910 -4.8910 -0.5651 -0.5651 0.0011 0.0011 0.1193 0.1193 0.3656 0.3656 0.5099 0.5099 1.2524 1.2524 1.4195 1.4195 1.6484 1.6484 1.9240 1.9240 2.5595 2.5595 2.7040 2.7040 10.4627 10.4627 11.8158 11.8158 12.3409 12.3409 14.1428 14.1428 k = 0.3500 0.2528 0.7649 ( 2614 PWs) bands (ev): -18.8574 -18.8574 -18.8063 -18.8063 -18.7344 -18.7344 -17.3287 -17.3287 -17.1413 -17.1413 -16.5691 -16.5691 -16.1718 -16.1718 -15.9244 -15.9244 -14.9003 -14.9003 -4.8838 -4.8838 -0.5498 -0.5498 -0.0093 -0.0093 0.1002 0.1002 0.3922 0.3922 0.4869 0.4869 1.2343 1.2343 1.4062 1.4062 1.6512 1.6512 1.9504 1.9504 2.5472 2.5472 2.7083 2.7083 10.4181 10.4181 11.8484 11.8484 12.3707 12.3707 14.1461 14.1461 k = 0.3600 0.2600 0.7559 ( 2618 PWs) bands (ev): -18.8651 -18.8651 -18.8143 -18.8143 -18.7302 -18.7302 -17.3292 -17.3292 -17.1339 -17.1339 -16.5688 -16.5688 -16.1671 -16.1671 -15.9241 -15.9241 -14.8967 -14.8967 -4.8758 -4.8758 -0.5333 -0.5333 -0.0187 -0.0187 0.0793 0.0793 0.4186 0.4186 0.4633 0.4633 1.2140 1.2140 1.3956 1.3956 1.6538 1.6538 1.9754 1.9754 2.5347 2.5347 2.7121 2.7121 10.3721 10.3721 11.8828 11.8828 12.4022 12.4022 14.1487 14.1487 k = 0.3700 0.2672 0.7470 ( 2620 PWs) bands (ev): -18.8731 -18.8731 -18.8230 -18.8230 -18.7259 -18.7259 -17.3300 -17.3300 -17.1259 -17.1259 -16.5684 -16.5684 -16.1620 -16.1620 -15.9238 -15.9238 -14.8928 -14.8928 -4.8670 -4.8670 -0.5159 -0.5159 -0.0272 -0.0272 0.0566 0.0566 0.4324 0.4324 0.4518 0.4518 1.1920 1.1920 1.3872 1.3872 1.6562 1.6562 1.9990 1.9990 2.5220 2.5220 2.7156 2.7156 10.3250 10.3250 11.9187 11.9187 12.4351 12.4351 14.1505 14.1505 k = 0.3800 0.2745 0.7381 ( 2622 PWs) bands (ev): -18.8814 -18.8814 -18.8322 -18.8322 -18.7215 -18.7215 -17.3309 -17.3309 -17.1175 -17.1175 -16.5680 -16.5680 -16.1564 -16.1564 -15.9235 -15.9235 -14.8886 -14.8886 -4.8574 -4.8574 -0.4976 -0.4976 -0.0347 -0.0347 0.0321 0.0321 0.4102 0.4102 0.4760 0.4760 1.1690 1.1690 1.3805 1.3805 1.6581 1.6581 2.0211 2.0211 2.5093 2.5093 2.7187 2.7187 10.2772 10.2772 11.9560 11.9560 12.4694 12.4694 14.1515 14.1515 k = 0.3900 0.2817 0.7292 ( 2620 PWs) bands (ev): -18.8900 -18.8900 -18.8420 -18.8420 -18.7171 -18.7171 -17.3320 -17.3320 -17.1085 -17.1085 -16.5676 -16.5676 -16.1503 -16.1503 -15.9231 -15.9231 -14.8840 -14.8840 -4.8469 -4.8469 -0.4787 -0.4787 -0.0414 -0.0414 0.0061 0.0061 0.3850 0.3850 0.5029 0.5029 1.1456 1.1456 1.3753 1.3753 1.6594 1.6594 2.0417 2.0417 2.4965 2.4965 2.7213 2.7213 10.2288 10.2288 11.9947 11.9947 12.5049 12.5049 14.1515 14.1515 k = 0.4000 0.2889 0.7203 ( 2616 PWs) bands (ev): -18.8989 -18.8989 -18.8523 -18.8523 -18.7126 -18.7126 -17.3332 -17.3332 -17.0992 -17.0992 -16.5671 -16.5671 -16.1437 -16.1437 -15.9227 -15.9227 -14.8792 -14.8792 -4.8357 -4.8357 -0.4594 -0.4594 -0.0474 -0.0474 -0.0216 -0.0216 0.3599 0.3599 0.5297 0.5297 1.1221 1.1221 1.3711 1.3711 1.6598 1.6598 2.0606 2.0606 2.4837 2.4837 2.7236 2.7236 10.1800 10.1800 12.0345 12.0345 12.5416 12.5416 14.1505 14.1505 k = 0.4100 0.2961 0.7114 ( 2608 PWs) bands (ev): -18.9080 -18.9080 -18.8631 -18.8631 -18.7082 -18.7082 -17.3346 -17.3346 -17.0894 -17.0894 -16.5666 -16.5666 -16.1366 -16.1366 -15.9222 -15.9222 -14.8740 -14.8740 -4.8236 -4.8236 -0.4399 -0.4399 -0.0548 -0.0548 -0.0484 -0.0484 0.3356 0.3356 0.5562 0.5562 1.0990 1.0990 1.3677 1.3677 1.6594 1.6594 2.0779 2.0779 2.4711 2.4711 2.7254 2.7254 10.1310 10.1310 12.0755 12.0755 12.5793 12.5793 14.1484 14.1484 k = 0.4200 0.3034 0.7025 ( 2605 PWs) bands (ev): -18.9172 -18.9172 -18.8743 -18.8743 -18.7038 -18.7038 -17.3362 -17.3362 -17.0794 -17.0794 -16.5660 -16.5660 -16.1290 -16.1290 -15.9216 -15.9216 -14.8686 -14.8686 -4.8107 -4.8107 -0.4206 -0.4206 -0.0825 -0.0825 -0.0558 -0.0558 0.3123 0.3123 0.5819 0.5819 1.0765 1.0765 1.3652 1.3652 1.6577 1.6577 2.0935 2.0935 2.4588 2.4588 2.7269 2.7269 10.0818 10.0818 12.1175 12.1175 12.6180 12.6180 14.1453 14.1453 k = 0.4300 0.3106 0.6936 ( 2609 PWs) bands (ev): -18.9267 -18.9267 -18.8859 -18.8859 -18.6994 -18.6994 -17.3379 -17.3379 -17.0691 -17.0691 -16.5655 -16.5655 -16.1209 -16.1209 -15.9210 -15.9210 -14.8629 -14.8629 -4.7970 -4.7970 -0.4019 -0.4019 -0.1145 -0.1145 -0.0596 -0.0596 0.2908 0.2908 0.6066 0.6066 1.0551 1.0551 1.3634 1.3634 1.6548 1.6548 2.1075 2.1075 2.4467 2.4467 2.7279 2.7279 10.0324 10.0324 12.1605 12.1605 12.6575 12.6575 14.1411 14.1411 k = 0.4400 0.3178 0.6847 ( 2609 PWs) bands (ev): -18.9363 -18.9363 -18.8979 -18.8979 -18.6952 -18.6952 -17.3398 -17.3398 -17.0586 -17.0586 -16.5649 -16.5649 -16.1123 -16.1123 -15.9204 -15.9204 -14.8569 -14.8569 -4.7824 -4.7824 -0.3841 -0.3841 -0.1479 -0.1479 -0.0627 -0.0627 0.2714 0.2714 0.6298 0.6298 1.0348 1.0348 1.3623 1.3623 1.6506 1.6506 2.1199 2.1199 2.4350 2.4350 2.7285 2.7285 9.9829 9.9829 12.2046 12.2046 12.6979 12.6979 14.1360 14.1360 k = 0.4500 0.3250 0.6758 ( 2607 PWs) bands (ev): -18.9461 -18.9461 -18.9102 -18.9102 -18.6910 -18.6910 -17.3418 -17.3418 -17.0479 -17.0479 -16.5643 -16.5643 -16.1032 -16.1032 -15.9196 -15.9196 -14.8506 -14.8506 -4.7671 -4.7671 -0.3677 -0.3677 -0.1825 -0.1825 -0.0652 -0.0652 0.2547 0.2547 0.6513 0.6513 1.0163 1.0163 1.3619 1.3619 1.6448 1.6448 2.1306 2.1306 2.4237 2.4237 2.7287 2.7287 9.9333 9.9333 12.2496 12.2496 12.7391 12.7391 14.1302 14.1302 k = 0.4600 0.3322 0.6669 ( 2609 PWs) bands (ev): -18.9560 -18.9560 -18.9228 -18.9228 -18.6869 -18.6869 -17.3439 -17.3439 -17.0370 -17.0370 -16.5637 -16.5637 -16.0936 -16.0936 -15.9188 -15.9188 -14.8441 -14.8441 -4.7509 -4.7509 -0.3532 -0.3532 -0.2182 -0.2182 -0.0672 -0.0672 0.2414 0.2414 0.6703 0.6703 0.9997 0.9997 1.3624 1.3624 1.6373 1.6373 2.1398 2.1398 2.4130 2.4130 2.7285 2.7285 9.8835 9.8835 12.2955 12.2955 12.7809 12.7809 14.1236 14.1236 k = 0.4700 0.3395 0.6579 ( 2613 PWs) bands (ev): -18.9660 -18.9660 -18.9357 -18.9357 -18.6830 -18.6830 -17.3460 -17.3460 -17.0261 -17.0261 -16.5630 -16.5630 -16.0836 -16.0836 -15.9179 -15.9179 -14.8373 -14.8373 -4.7339 -4.7339 -0.3413 -0.3413 -0.2548 -0.2548 -0.0686 -0.0686 0.2317 0.2317 0.6864 0.6864 0.9856 0.9856 1.3638 1.3638 1.6282 1.6282 2.1474 2.1474 2.4028 2.4028 2.7279 2.7279 9.8336 9.8336 12.3423 12.3423 12.8235 12.8235 14.1166 14.1166 k = 0.4800 0.3467 0.6490 ( 2613 PWs) bands (ev): -18.9761 -18.9761 -18.9488 -18.9488 -18.6793 -18.6793 -17.3483 -17.3483 -17.0150 -17.0150 -16.5624 -16.5624 -16.0730 -16.0730 -15.9168 -15.9168 -14.8304 -14.8304 -4.7161 -4.7161 -0.3330 -0.3330 -0.2916 -0.2916 -0.0692 -0.0692 0.2261 0.2261 0.6989 0.6989 0.9745 0.9745 1.3662 1.3662 1.6173 1.6173 2.1537 2.1537 2.3933 2.3933 2.7270 2.7270 9.7833 9.7833 12.3898 12.3898 12.8666 12.8666 14.1094 14.1094 k = 0.4900 0.3539 0.6401 ( 2612 PWs) bands (ev): -18.9862 -18.9862 -18.9621 -18.9621 -18.6758 -18.6758 -17.3505 -17.3505 -17.0040 -17.0040 -16.5617 -16.5617 -16.0621 -16.0621 -15.9156 -15.9156 -14.8231 -14.8231 -4.6975 -4.6975 -0.3379 -0.3379 -0.3194 -0.3194 -0.0689 -0.0689 0.2248 0.2248 0.7072 0.7072 0.9667 0.9667 1.3697 1.3697 1.6046 1.6046 2.1586 2.1586 2.3843 2.3843 2.7256 2.7256 9.7328 9.7328 12.4381 12.4381 12.9103 12.9103 14.1021 14.1021 k = 0.5000 0.3611 0.6312 ( 2612 PWs) bands (ev): -18.9964 -18.9964 -18.9756 -18.9756 -18.6724 -18.6724 -17.3528 -17.3528 -16.9930 -16.9930 -16.5610 -16.5610 -16.0508 -16.0508 -15.9142 -15.9142 -14.8157 -14.8157 -4.6782 -4.6782 -0.3731 -0.3731 -0.3212 -0.3212 -0.0674 -0.0674 0.2276 0.2276 0.7111 0.7111 0.9624 0.9624 1.3744 1.3744 1.5901 1.5901 2.1623 2.1623 2.3758 2.3758 2.7239 2.7239 9.6820 9.6820 12.4871 12.4871 12.9546 12.9546 14.0952 14.0952 k = 0.5000 0.3611 0.6312 ( 2612 PWs) bands (ev): -18.9964 -18.9964 -18.9756 -18.9756 -18.6724 -18.6724 -17.3528 -17.3528 -16.9930 -16.9930 -16.5610 -16.5610 -16.0508 -16.0508 -15.9142 -15.9142 -14.8157 -14.8157 -4.6782 -4.6782 -0.3731 -0.3731 -0.3212 -0.3212 -0.0674 -0.0674 0.2276 0.2276 0.7111 0.7111 0.9624 0.9624 1.3744 1.3744 1.5901 1.5901 2.1623 2.1623 2.3758 2.3758 2.7239 2.7239 9.6820 9.6820 12.4871 12.4871 12.9546 12.9546 14.0952 14.0952 k = 0.5000 0.3611 0.6158 ( 2612 PWs) bands (ev): -19.0145 -19.0145 -18.9992 -18.9992 -18.6670 -18.6670 -17.3567 -17.3567 -16.9742 -16.9742 -16.5598 -16.5598 -16.0305 -16.0305 -15.9111 -15.9111 -14.8023 -14.8023 -4.6430 -4.6430 -0.4420 -0.4420 -0.3212 -0.3212 -0.0638 -0.0638 0.2365 0.2365 0.7139 0.7139 0.9572 0.9572 1.3839 1.3839 1.5629 1.5629 2.1679 2.1679 2.3613 2.3613 2.7206 2.7206 9.5938 9.5938 12.5725 12.5725 13.0327 13.0327 14.0831 14.0831 k = 0.5000 0.3611 0.6004 ( 2616 PWs) bands (ev): -19.0332 -19.0332 -19.0228 -19.0228 -18.6617 -18.6617 -17.3608 -17.3608 -16.9557 -16.9557 -16.5585 -16.5585 -16.0097 -16.0097 -15.9067 -15.9067 -14.7885 -14.7885 -4.6057 -4.6057 -0.5136 -0.5136 -0.3208 -0.3208 -0.0605 -0.0605 0.2461 0.2461 0.7169 0.7169 0.9509 0.9509 1.3939 1.3939 1.5347 1.5347 2.1740 2.1740 2.3457 2.3457 2.7171 2.7171 9.5061 9.5061 12.6586 12.6586 13.1130 13.1130 14.0704 14.0704 k = 0.5000 0.3611 0.5850 ( 2612 PWs) bands (ev): -19.0533 -19.0533 -19.0455 -19.0455 -18.6566 -18.6566 -17.3651 -17.3651 -16.9376 -16.9376 -16.5572 -16.5572 -15.9894 -15.9894 -15.9002 -15.9002 -14.7741 -14.7741 -4.5663 -4.5663 -0.5872 -0.5872 -0.3206 -0.3206 -0.0573 -0.0573 0.2562 0.2562 0.7200 0.7200 0.9436 0.9436 1.4041 1.4041 1.5058 1.5058 2.1807 2.1807 2.3291 2.3291 2.7135 2.7135 9.4188 9.4188 12.7452 12.7452 13.1953 13.1953 14.0569 14.0569 k = 0.5000 0.3611 0.5696 ( 2612 PWs) bands (ev): -19.0758 -19.0758 -19.0664 -19.0664 -18.6516 -18.6516 -17.3696 -17.3696 -16.9202 -16.9202 -16.5559 -16.5559 -15.9712 -15.9712 -15.8900 -15.8900 -14.7592 -14.7592 -4.5249 -4.5249 -0.6624 -0.6624 -0.3207 -0.3207 -0.0544 -0.0544 0.2670 0.2670 0.7233 0.7233 0.9353 0.9353 1.4143 1.4143 1.4765 1.4765 2.1880 2.1880 2.3116 2.3116 2.7097 2.7097 9.3321 9.3321 12.8322 12.8322 13.2791 13.2791 14.0429 14.0429 k = 0.5000 0.3611 0.5542 ( 2612 PWs) bands (ev): -19.0997 -19.0997 -19.0860 -19.0860 -18.6467 -18.6467 -17.3741 -17.3741 -16.9034 -16.9034 -16.5546 -16.5546 -15.9565 -15.9565 -15.8747 -15.8747 -14.7440 -14.7440 -4.4816 -4.4816 -0.7389 -0.7389 -0.3212 -0.3212 -0.0518 -0.0518 0.2783 0.2783 0.7267 0.7267 0.9263 0.9263 1.4223 1.4223 1.4490 1.4490 2.1958 2.1958 2.2932 2.2932 2.7059 2.7059 9.2462 9.2462 12.9192 12.9192 13.3642 13.3642 14.0285 14.0285 k = 0.5000 0.3611 0.5388 ( 2612 PWs) bands (ev): -19.1241 -19.1241 -19.1053 -19.1053 -18.6419 -18.6419 -17.3788 -17.3788 -16.8874 -16.8874 -16.5533 -16.5533 -15.9462 -15.9462 -15.8535 -15.8535 -14.7285 -14.7285 -4.4364 -4.4364 -0.8166 -0.8166 -0.3221 -0.3221 -0.0496 -0.0496 0.2901 0.2901 0.7301 0.7301 0.9165 0.9165 1.4091 1.4091 1.4424 1.4424 2.2043 2.2043 2.2739 2.2739 2.7019 2.7019 9.1612 9.1612 13.0061 13.0061 13.4504 13.4504 14.0140 14.0140 k = 0.5000 0.3611 0.5234 ( 2612 PWs) bands (ev): -19.1486 -19.1486 -19.1245 -19.1245 -18.6372 -18.6372 -17.3836 -17.3836 -16.8721 -16.8721 -16.5519 -16.5519 -15.9393 -15.9393 -15.8276 -15.8276 -14.7128 -14.7128 -4.3894 -4.3894 -0.8951 -0.8951 -0.3236 -0.3236 -0.0477 -0.0477 0.3024 0.3024 0.7337 0.7337 0.9060 0.9060 1.3795 1.3795 1.4518 1.4518 2.2133 2.2133 2.2539 2.2539 2.6978 2.6978 9.0772 9.0772 13.0925 13.0925 13.5372 13.5372 13.9998 13.9998 k = 0.5000 0.3611 0.5080 ( 2620 PWs) bands (ev): -19.1730 -19.1730 -19.1438 -19.1438 -18.6326 -18.6326 -17.3885 -17.3885 -16.8576 -16.8576 -16.5506 -16.5506 -15.9346 -15.9346 -15.7982 -15.7982 -14.6968 -14.6968 -4.3406 -4.3406 -0.9743 -0.9743 -0.3257 -0.3257 -0.0461 -0.0461 0.3150 0.3150 0.7373 0.7373 0.8949 0.8949 1.3479 1.3479 1.4630 1.4630 2.2229 2.2229 2.2331 2.2331 2.6935 2.6935 8.9942 8.9942 13.1778 13.1778 13.6242 13.6242 13.9865 13.9865 k = 0.5000 0.3611 0.4927 ( 2616 PWs) bands (ev): -19.1972 -19.1972 -19.1629 -19.1629 -18.6282 -18.6282 -17.3935 -17.3935 -16.8440 -16.8440 -16.5493 -16.5493 -15.9312 -15.9312 -15.7664 -15.7664 -14.6806 -14.6806 -4.2901 -4.2901 -1.0540 -1.0540 -0.3285 -0.3285 -0.0449 -0.0449 0.3280 0.3280 0.7410 0.7410 0.8834 0.8834 1.3158 1.3158 1.4746 1.4746 2.2117 2.2117 2.2333 2.2333 2.6893 2.6893 8.9125 8.9125 13.2615 13.2615 13.7103 13.7103 13.9756 13.9756 k = 0.5000 0.3611 0.4773 ( 2616 PWs) bands (ev): -19.2210 -19.2210 -19.1820 -19.1820 -18.6238 -18.6238 -17.3985 -17.3985 -16.8311 -16.8311 -16.5479 -16.5479 -15.9286 -15.9286 -15.7328 -15.7328 -14.6644 -14.6644 -4.2380 -4.2380 -1.1338 -1.1338 -0.3320 -0.3320 -0.0440 -0.0440 0.3413 0.3413 0.7448 0.7448 0.8715 0.8715 1.2833 1.2833 1.4864 1.4864 2.1898 2.1898 2.2441 2.2441 2.6850 2.6850 8.8321 8.8321 13.3425 13.3425 13.7927 13.7927 13.9708 13.9708 k = 0.5000 0.3611 0.4619 ( 2616 PWs) bands (ev): -19.2446 -19.2446 -19.2010 -19.2010 -18.6195 -18.6195 -17.4036 -17.4036 -16.8190 -16.8190 -16.5466 -16.5466 -15.9265 -15.9265 -15.6978 -15.6978 -14.6482 -14.6482 -4.1844 -4.1844 -1.2136 -1.2136 -0.3364 -0.3364 -0.0434 -0.0434 0.3547 0.3547 0.7485 0.7485 0.8593 0.8593 1.2507 1.2507 1.4982 1.4982 2.1674 2.1674 2.2555 2.2555 2.6806 2.6806 8.7530 8.7530 13.4195 13.4195 13.8611 13.8611 13.9833 13.9833 k = 0.5000 0.3611 0.4465 ( 2616 PWs) bands (ev): -19.2677 -19.2677 -19.2198 -19.2198 -18.6153 -18.6153 -17.4087 -17.4087 -16.8077 -16.8077 -16.5453 -16.5453 -15.9247 -15.9247 -15.6619 -15.6619 -14.6319 -14.6319 -4.1294 -4.1294 -1.2932 -1.2932 -0.3417 -0.3417 -0.0432 -0.0432 0.3683 0.3683 0.7523 0.7523 0.8468 0.8468 1.2181 1.2181 1.5100 1.5100 2.1446 2.1446 2.2675 2.2675 2.6763 2.6763 8.6755 8.6755 13.4903 13.4903 13.8974 13.8974 14.0333 14.0333 k = 0.5000 0.3611 0.4311 ( 2608 PWs) bands (ev): -19.2903 -19.2903 -19.2385 -19.2385 -18.6112 -18.6112 -17.4138 -17.4138 -16.7971 -16.7971 -16.5440 -16.5440 -15.9231 -15.9231 -15.6251 -15.6251 -14.6157 -14.6157 -4.0730 -4.0730 -1.3724 -1.3724 -0.3478 -0.3478 -0.0432 -0.0432 0.3820 0.3820 0.7561 0.7561 0.8342 0.8342 1.1855 1.1855 1.5218 1.5218 2.1216 2.1216 2.2800 2.2800 2.6719 2.6719 8.5996 8.5996 13.5515 13.5515 13.9145 13.9145 14.1111 14.1111 k = 0.5000 0.3611 0.4157 ( 2604 PWs) bands (ev): -19.3125 -19.3125 -19.2569 -19.2569 -18.6072 -18.6072 -17.4188 -17.4188 -16.7872 -16.7872 -16.5427 -16.5427 -15.9217 -15.9217 -15.5879 -15.5879 -14.5996 -14.5996 -4.0154 -4.0154 -1.4509 -1.4509 -0.3551 -0.3551 -0.0436 -0.0436 0.3956 0.3956 0.7598 0.7598 0.8215 0.8215 1.1531 1.1531 1.5336 1.5336 2.0984 2.0984 2.2930 2.2930 2.6675 2.6675 8.5254 8.5254 13.5984 13.5984 13.9352 13.9352 14.1984 14.1984 k = 0.5000 0.3611 0.4003 ( 2612 PWs) bands (ev): -19.3341 -19.3341 -19.2751 -19.2751 -18.6033 -18.6033 -17.4239 -17.4239 -16.7780 -16.7780 -16.5415 -16.5415 -15.9205 -15.9205 -15.5503 -15.5503 -14.5837 -14.5837 -3.9568 -3.9568 -1.5285 -1.5285 -0.3634 -0.3634 -0.0442 -0.0442 0.4092 0.4092 0.7633 0.7633 0.8089 0.8089 1.1208 1.1208 1.5452 1.5452 2.0751 2.0751 2.3065 2.3065 2.6631 2.6631 8.4530 8.4530 13.6279 13.6279 13.9689 13.9689 14.2889 14.2889 k = 0.5000 0.3611 0.3849 ( 2612 PWs) bands (ev): -19.3551 -19.3551 -19.2929 -19.2929 -18.5995 -18.5995 -17.4289 -17.4289 -16.7694 -16.7694 -16.5403 -16.5403 -15.9193 -15.9193 -15.5125 -15.5125 -14.5680 -14.5680 -3.8971 -3.8971 -1.6052 -1.6052 -0.3728 -0.3728 -0.0451 -0.0451 0.4227 0.4227 0.7665 0.7665 0.7968 0.7968 1.0889 1.0889 1.5567 1.5567 2.0519 2.0519 2.3203 2.3203 2.6588 2.6588 8.3825 8.3825 13.6404 13.6404 14.0166 14.0166 14.3808 14.3808 k = 0.5000 0.3611 0.3695 ( 2620 PWs) bands (ev): -19.3755 -19.3755 -19.3103 -19.3103 -18.5958 -18.5958 -17.4339 -17.4339 -16.7614 -16.7614 -16.5391 -16.5391 -15.9182 -15.9182 -15.4747 -15.4747 -14.5526 -14.5526 -3.8365 -3.8365 -1.6806 -1.6806 -0.3834 -0.3834 -0.0462 -0.0462 0.4360 0.4360 0.7680 0.7680 0.7861 0.7861 1.0573 1.0573 1.5680 1.5680 2.0289 2.0289 2.3345 2.3345 2.6545 2.6545 8.3139 8.3139 13.6402 13.6402 14.0748 14.0748 14.4735 14.4735 k = 0.5000 0.3611 0.3541 ( 2618 PWs) bands (ev): -19.3953 -19.3953 -19.3274 -19.3274 -18.5921 -18.5921 -17.4388 -17.4388 -16.7540 -16.7540 -16.5380 -16.5380 -15.9172 -15.9172 -15.4371 -15.4371 -14.5375 -14.5375 -3.7752 -3.7752 -1.7545 -1.7545 -0.3953 -0.3953 -0.0476 -0.0476 0.4491 0.4491 0.7639 0.7639 0.7812 0.7812 1.0262 1.0262 1.5791 1.5791 2.0062 2.0062 2.3490 2.3490 2.6503 2.6503 8.2474 8.2474 13.6316 13.6316 14.1395 14.1395 14.5663 14.5663 k = 0.5000 0.3611 0.3387 ( 2614 PWs) bands (ev): -19.4143 -19.4143 -19.3440 -19.3440 -18.5886 -18.5886 -17.4436 -17.4436 -16.7471 -16.7471 -16.5368 -16.5368 -15.9162 -15.9162 -15.3998 -15.3998 -14.5227 -14.5227 -3.7134 -3.7134 -1.8268 -1.8268 -0.4084 -0.4084 -0.0491 -0.0491 0.4619 0.4619 0.7539 0.7539 0.7824 0.7824 0.9956 0.9956 1.5899 1.5899 1.9838 1.9838 2.3637 2.3637 2.6461 2.6461 8.1831 8.1831 13.6179 13.6179 14.2077 14.2077 14.6591 14.6591 k = 0.5000 0.3611 0.3233 ( 2614 PWs) bands (ev): -19.4327 -19.4327 -19.3602 -19.3602 -18.5853 -18.5853 -17.4483 -17.4483 -16.7407 -16.7407 -16.5357 -16.5357 -15.9152 -15.9152 -15.3630 -15.3630 -14.5082 -14.5082 -3.6511 -3.6511 -1.8974 -1.8974 -0.4227 -0.4227 -0.0507 -0.0507 0.4744 0.4744 0.7423 0.7423 0.7852 0.7852 0.9656 0.9656 1.6006 1.6006 1.9620 1.9620 2.3785 2.3785 2.6421 2.6421 8.1211 8.1211 13.6010 13.6010 14.2775 14.2775 14.7516 14.7516 k = 0.5000 0.3611 0.3079 ( 2620 PWs) bands (ev): -19.4503 -19.4503 -19.3758 -19.3758 -18.5820 -18.5820 -17.4529 -17.4529 -16.7347 -16.7347 -16.5347 -16.5347 -15.9144 -15.9144 -15.3269 -15.3269 -14.4943 -14.4943 -3.5886 -3.5886 -1.9659 -1.9659 -0.4383 -0.4383 -0.0526 -0.0526 0.4865 0.4865 0.7306 0.7306 0.7884 0.7884 0.9362 0.9362 1.6109 1.6109 1.9408 1.9408 2.3934 2.3934 2.6381 2.6381 8.0613 8.0613 13.5822 13.5822 14.3479 14.3479 14.8434 14.8434 k = 0.5000 0.3611 0.2925 ( 2620 PWs) bands (ev): -19.4672 -19.4672 -19.3909 -19.3909 -18.5788 -18.5788 -17.4573 -17.4573 -16.7292 -16.7292 -16.5337 -16.5337 -15.9135 -15.9135 -15.2915 -15.2915 -14.4807 -14.4807 -3.5260 -3.5260 -2.0323 -2.0323 -0.4552 -0.4552 -0.0545 -0.0545 0.4982 0.4982 0.7189 0.7189 0.7916 0.7916 0.9077 0.9077 1.6209 1.6209 1.9204 1.9204 2.4083 2.4083 2.6344 2.6344 8.0040 8.0040 13.5623 13.5623 14.4183 14.4183 14.9345 14.9345 k = 0.5000 0.3611 0.2771 ( 2628 PWs) bands (ev): -19.4833 -19.4833 -19.4054 -19.4054 -18.5758 -18.5758 -17.4617 -17.4617 -16.7242 -16.7242 -16.5328 -16.5328 -15.9128 -15.9128 -15.2570 -15.2570 -14.4677 -14.4677 -3.4635 -3.4635 -2.0964 -2.0964 -0.4733 -0.4733 -0.0565 -0.0565 0.5094 0.5094 0.7076 0.7076 0.7947 0.7947 0.8800 0.8800 1.6305 1.6305 1.9007 1.9007 2.4231 2.4231 2.6307 2.6307 7.9491 7.9491 13.5419 13.5419 14.4882 14.4882 15.0244 15.0244 k = 0.5000 0.3611 0.2617 ( 2628 PWs) bands (ev): -19.4986 -19.4986 -19.4193 -19.4193 -18.5729 -18.5729 -17.4658 -17.4658 -16.7194 -16.7194 -16.5319 -16.5319 -15.9120 -15.9120 -15.2236 -15.2236 -14.4551 -14.4551 -3.4015 -3.4015 -2.1579 -2.1579 -0.4926 -0.4926 -0.0586 -0.0586 0.5201 0.5201 0.6966 0.6966 0.7975 0.7975 0.8534 0.8534 1.6398 1.6398 1.8819 1.8819 2.4376 2.4376 2.6273 2.6273 7.8968 7.8968 13.5212 13.5212 14.5575 14.5575 15.1130 15.1130 k = 0.5000 0.3611 0.2463 ( 2630 PWs) bands (ev): -19.5131 -19.5131 -19.4326 -19.4326 -18.5702 -18.5702 -17.4698 -17.4698 -16.7151 -16.7151 -16.5310 -16.5310 -15.9113 -15.9113 -15.1913 -15.1913 -14.4432 -14.4432 -3.3400 -3.3400 -2.2168 -2.2168 -0.5130 -0.5130 -0.0607 -0.0607 0.5302 0.5302 0.6860 0.6860 0.7993 0.7993 0.8287 0.8287 1.6487 1.6487 1.8640 1.8640 2.4519 2.4519 2.6240 2.6240 7.8471 7.8471 13.5007 13.5007 14.6260 14.6260 15.2000 15.2000 k = 0.5000 0.3611 0.2309 ( 2622 PWs) bands (ev): -19.5268 -19.5268 -19.4452 -19.4452 -18.5676 -18.5676 -17.4736 -17.4736 -16.7111 -16.7111 -16.5301 -16.5301 -15.9106 -15.9106 -15.1603 -15.1603 -14.4318 -14.4318 -3.2794 -3.2794 -2.2728 -2.2728 -0.5343 -0.5343 -0.0628 -0.0628 0.5398 0.5398 0.6759 0.6759 0.7942 0.7942 0.8118 0.8118 1.6572 1.6572 1.8472 1.8472 2.4658 2.4658 2.6209 2.6209 7.8001 7.8001 13.4805 13.4805 14.6937 14.6937 15.2850 15.2850 k = 0.5000 0.3611 0.2155 ( 2622 PWs) bands (ev): -19.5397 -19.5397 -19.4571 -19.4571 -18.5651 -18.5651 -17.4772 -17.4772 -16.7074 -16.7074 -16.5294 -16.5294 -15.9100 -15.9100 -15.1307 -15.1307 -14.4210 -14.4210 -3.2200 -3.2200 -2.3258 -2.3258 -0.5564 -0.5564 -0.0649 -0.0649 0.5487 0.5487 0.6663 0.6663 0.7748 0.7748 0.8103 0.8103 1.6652 1.6652 1.8315 1.8315 2.4792 2.4792 2.6181 2.6181 7.7558 7.7558 13.4608 13.4608 14.7604 14.7604 15.3677 15.3677 k = 0.5000 0.3611 0.2001 ( 2620 PWs) bands (ev): -19.5517 -19.5517 -19.4683 -19.4683 -18.5628 -18.5628 -17.4806 -17.4806 -16.7040 -16.7040 -16.5286 -16.5286 -15.9094 -15.9094 -15.1026 -15.1026 -14.4108 -14.4108 -3.1621 -3.1621 -2.3757 -2.3757 -0.5792 -0.5792 -0.0670 -0.0670 0.5570 0.5570 0.6574 0.6574 0.7531 0.7531 0.8121 0.8121 1.6727 1.6727 1.8169 1.8169 2.4920 2.4920 2.6156 2.6156 7.7144 7.7144 13.4418 13.4418 14.8262 14.8262 15.4477 15.4477 k = 0.5000 0.3611 0.1847 ( 2622 PWs) bands (ev): -19.5629 -19.5629 -19.4787 -19.4787 -18.5606 -18.5606 -17.4838 -17.4838 -16.7010 -16.7010 -16.5279 -16.5279 -15.9088 -15.9088 -15.0762 -15.0762 -14.4013 -14.4013 -3.1061 -3.1061 -2.4223 -2.4223 -0.6025 -0.6025 -0.0691 -0.0691 0.5644 0.5644 0.6491 0.6491 0.7322 0.7322 0.8143 0.8143 1.6796 1.6796 1.8034 1.8034 2.5041 2.5041 2.6133 2.6133 7.6758 7.6758 13.4237 13.4237 14.8909 14.8909 15.5245 15.5245 k = 0.5000 0.3611 0.1693 ( 2622 PWs) bands (ev): -19.5732 -19.5732 -19.4884 -19.4884 -18.5586 -18.5586 -17.4868 -17.4868 -16.6982 -16.6982 -16.5273 -16.5273 -15.9083 -15.9083 -15.0515 -15.0515 -14.3925 -14.3925 -3.0524 -3.0524 -2.4653 -2.4653 -0.6260 -0.6260 -0.0710 -0.0710 0.5710 0.5710 0.6416 0.6416 0.7125 0.7125 0.8166 0.8166 1.6861 1.6861 1.7911 1.7911 2.5154 2.5154 2.6114 2.6114 7.6401 7.6401 13.4066 13.4066 14.9546 14.9546 15.5975 15.5975 k = 0.5000 0.3611 0.1540 ( 2618 PWs) bands (ev): -19.5827 -19.5827 -19.4973 -19.4973 -18.5567 -18.5567 -17.4896 -17.4896 -16.6957 -16.6957 -16.5267 -16.5267 -15.9078 -15.9078 -15.0286 -15.0286 -14.3844 -14.3844 -3.0015 -3.0015 -2.5046 -2.5046 -0.6494 -0.6494 -0.0729 -0.0729 0.5764 0.5764 0.6350 0.6350 0.6944 0.6944 0.8188 0.8188 1.6919 1.6919 1.7801 1.7801 2.5257 2.5257 2.6100 2.6100 7.6073 7.6073 13.3906 13.3906 15.0171 15.0171 15.6659 15.6659 k = 0.5000 0.3611 0.1386 ( 2618 PWs) bands (ev): -19.5912 -19.5912 -19.5054 -19.5054 -18.5551 -18.5551 -17.4921 -17.4921 -16.6935 -16.6935 -16.5262 -16.5262 -15.9074 -15.9074 -15.0076 -15.0076 -14.3770 -14.3770 -2.9538 -2.9538 -2.5400 -2.5400 -0.6724 -0.6724 -0.0746 -0.0746 0.5806 0.5806 0.6296 0.6296 0.6778 0.6778 0.8208 0.8208 1.6971 1.6971 1.7703 1.7703 2.5350 2.5350 2.6089 2.6089 7.5776 7.5776 13.3758 13.3758 15.0782 15.0782 15.7287 15.7287 k = 0.5000 0.3611 0.1232 ( 2620 PWs) bands (ev): -19.5989 -19.5989 -19.5127 -19.5127 -18.5535 -18.5535 -17.4944 -17.4944 -16.6915 -16.6915 -16.5257 -16.5257 -15.9070 -15.9070 -14.9886 -14.9886 -14.3704 -14.3704 -2.9101 -2.9101 -2.5712 -2.5712 -0.6946 -0.6946 -0.0762 -0.0762 0.5832 0.5832 0.6256 0.6256 0.6631 0.6631 0.8226 0.8226 1.7016 1.7016 1.7618 1.7618 2.5430 2.5430 2.6084 2.6084 7.5508 7.5508 13.3623 13.3623 15.1379 15.1379 15.7846 15.7846 k = 0.5000 0.3611 0.1078 ( 2612 PWs) bands (ev): -19.6057 -19.6057 -19.5192 -19.5192 -18.5522 -18.5522 -17.4964 -17.4964 -16.6898 -16.6898 -16.5253 -16.5253 -15.9067 -15.9067 -14.9716 -14.9716 -14.3644 -14.3644 -2.8711 -2.8711 -2.5978 -2.5978 -0.7156 -0.7156 -0.0776 -0.0776 0.5840 0.5840 0.6232 0.6232 0.6502 0.6502 0.8242 0.8242 1.7053 1.7053 1.7546 1.7546 2.5498 2.5498 2.6084 2.6084 7.5272 7.5272 13.3502 13.3502 15.1958 15.1958 15.8319 15.8319 k = 0.5000 0.3611 0.0924 ( 2612 PWs) bands (ev): -19.6116 -19.6116 -19.5248 -19.5248 -18.5510 -18.5510 -17.4981 -17.4981 -16.6883 -16.6883 -16.5250 -16.5250 -15.9064 -15.9064 -14.9568 -14.9568 -14.3593 -14.3593 -2.8377 -2.8377 -2.6193 -2.6193 -0.7350 -0.7350 -0.0789 -0.0789 0.5831 0.5831 0.6221 0.6221 0.6395 0.6395 0.8257 0.8257 1.7081 1.7081 1.7488 1.7488 2.5553 2.5553 2.6089 2.6089 7.5066 7.5066 13.3395 13.3395 15.2513 15.2513 15.8687 15.8687 k = 0.5000 0.3611 0.0770 ( 2618 PWs) bands (ev): -19.6166 -19.6166 -19.5296 -19.5296 -18.5500 -18.5500 -17.4996 -17.4996 -16.6871 -16.6871 -16.5247 -16.5247 -15.9062 -15.9062 -14.9442 -14.9442 -14.3549 -14.3549 -2.8109 -2.8109 -2.6352 -2.6352 -0.7524 -0.7524 -0.0800 -0.0800 0.5811 0.5811 0.6215 0.6215 0.6312 0.6312 0.8269 0.8269 1.7100 1.7100 1.7445 1.7445 2.5596 2.5596 2.6099 2.6099 7.4892 7.4892 13.3304 13.3304 15.3037 15.3037 15.8932 15.8932 k = 0.5000 0.3611 0.0616 ( 2614 PWs) bands (ev): -19.6207 -19.6207 -19.5336 -19.5336 -18.5492 -18.5492 -17.5009 -17.5009 -16.6861 -16.6861 -16.5244 -16.5244 -15.9060 -15.9060 -14.9337 -14.9337 -14.3513 -14.3513 -2.7915 -2.7915 -2.6449 -2.6449 -0.7674 -0.7674 -0.0809 -0.0809 0.5784 0.5784 0.6195 0.6195 0.6269 0.6269 0.8279 0.8279 1.7110 1.7110 1.7415 1.7415 2.5627 2.5627 2.6111 2.6111 7.4749 7.4749 13.3229 13.3229 15.3519 15.3519 15.9048 15.9048 k = 0.5000 0.3611 0.0462 ( 2606 PWs) bands (ev): -19.6239 -19.6239 -19.5366 -19.5366 -18.5485 -18.5485 -17.5018 -17.5018 -16.6853 -16.6853 -16.5242 -16.5242 -15.9058 -15.9058 -14.9256 -14.9256 -14.3485 -14.3485 -2.7796 -2.7796 -2.6488 -2.6488 -0.7795 -0.7795 -0.0816 -0.0816 0.5758 0.5758 0.6156 0.6156 0.6264 0.6264 0.8287 0.8287 1.7113 1.7113 1.7397 1.7397 2.5648 2.5648 2.6123 2.6123 7.4637 7.4637 13.3170 13.3170 15.3941 15.3941 15.9053 15.9053 k = 0.5000 0.3611 0.0308 ( 2598 PWs) bands (ev): -19.6262 -19.6262 -19.5388 -19.5388 -18.5481 -18.5481 -17.5025 -17.5025 -16.6847 -16.6847 -16.5240 -16.5240 -15.9057 -15.9057 -14.9197 -14.9197 -14.3465 -14.3465 -2.7735 -2.7735 -2.6489 -2.6489 -0.7884 -0.7884 -0.0822 -0.0822 0.5736 0.5736 0.6123 0.6123 0.6269 0.6269 0.8293 0.8293 1.7112 1.7112 1.7388 1.7388 2.5662 2.5662 2.6133 2.6133 7.4558 7.4558 13.3127 13.3127 15.4279 15.4279 15.8991 15.8991 k = 0.5000 0.3611 0.0154 ( 2586 PWs) bands (ev): -19.6275 -19.6275 -19.5401 -19.5401 -18.5478 -18.5478 -17.5029 -17.5029 -16.6843 -16.6843 -16.5239 -16.5239 -15.9056 -15.9056 -14.9162 -14.9162 -14.3453 -14.3453 -2.7711 -2.7711 -2.6476 -2.6476 -0.7939 -0.7939 -0.0825 -0.0825 0.5722 0.5722 0.6103 0.6103 0.6273 0.6273 0.8297 0.8297 1.7110 1.7110 1.7384 1.7384 2.5670 2.5670 2.6141 2.6141 7.4510 7.4510 13.3101 13.3101 15.4502 15.4502 15.8921 15.8921 k = 0.5000 0.3611 0.0000 ( 2584 PWs) bands (ev): -19.6280 -19.6280 -19.5405 -19.5405 -18.5477 -18.5477 -17.5030 -17.5030 -16.6842 -16.6842 -16.5239 -16.5239 -15.9055 -15.9055 -14.9150 -14.9150 -14.3449 -14.3449 -2.7706 -2.7706 -2.6469 -2.6469 -0.7957 -0.7957 -0.0826 -0.0826 0.5717 0.5717 0.6096 0.6096 0.6275 0.6275 0.8298 0.8298 1.7109 1.7109 1.7383 1.7383 2.5673 2.5673 2.6143 2.6143 7.4494 7.4494 13.3093 13.3093 15.4580 15.4580 15.8890 15.8890 k = 0.0000 0.0000 0.8540 ( 2612 PWs) bands (ev): -18.8132 -18.8132 -18.7733 -18.7733 -18.7543 -18.7543 -17.3228 -17.3228 -17.1811 -17.1811 -16.5709 -16.5709 -16.1942 -16.1942 -15.9259 -15.9259 -14.9186 -14.9186 -4.9302 -4.9302 -0.3360 -0.3360 -0.1070 -0.1070 0.1675 0.1675 0.2193 0.2193 0.6899 0.6899 0.9412 0.9412 1.3110 1.3110 1.8047 1.8047 2.1283 2.1283 2.4739 2.4739 2.7488 2.7488 10.7012 10.7012 11.5244 11.5244 12.3208 12.3208 14.1772 14.1772 k = 0.0125 0.0090 0.8540 ( 2600 PWs) bands (ev): -18.8132 -18.8132 -18.7733 -18.7733 -18.7543 -18.7543 -17.3228 -17.3228 -17.1810 -17.1810 -16.5709 -16.5709 -16.1942 -16.1942 -15.9259 -15.9259 -14.9185 -14.9185 -4.9301 -4.9301 -0.3392 -0.3392 -0.1064 -0.1064 0.1715 0.1715 0.2193 0.2193 0.6838 0.6838 0.9477 0.9477 1.3110 1.3110 1.8039 1.8039 2.1264 2.1264 2.4750 2.4750 2.7486 2.7486 10.7012 10.7012 11.5251 11.5251 12.3201 12.3201 14.1768 14.1768 k = 0.0250 0.0181 0.8540 ( 2600 PWs) bands (ev): -18.8131 -18.8131 -18.7733 -18.7733 -18.7544 -18.7544 -17.3229 -17.3229 -17.1810 -17.1810 -16.5709 -16.5709 -16.1942 -16.1942 -15.9258 -15.9258 -14.9185 -14.9185 -4.9300 -4.9300 -0.3484 -0.3484 -0.1046 -0.1046 0.1832 0.1832 0.2193 0.2193 0.6672 0.6672 0.9656 0.9656 1.3110 1.3110 1.8015 1.8015 2.1209 2.1209 2.4781 2.4781 2.7478 2.7478 10.7012 10.7012 11.5271 11.5271 12.3180 12.3180 14.1757 14.1757 k = 0.0375 0.0271 0.8540 ( 2604 PWs) bands (ev): -18.8131 -18.8131 -18.7733 -18.7733 -18.7544 -18.7544 -17.3231 -17.3231 -17.1809 -17.1809 -16.5709 -16.5709 -16.1942 -16.1942 -15.9258 -15.9258 -14.9185 -14.9185 -4.9297 -4.9297 -0.3627 -0.3627 -0.1015 -0.1015 0.2015 0.2015 0.2193 0.2193 0.6433 0.6433 0.9916 0.9916 1.3110 1.3110 1.7974 1.7974 2.1118 2.1118 2.4830 2.4830 2.7464 2.7464 10.7012 10.7012 11.5304 11.5304 12.3147 12.3147 14.1737 14.1737 k = 0.0500 0.0361 0.8540 ( 2604 PWs) bands (ev): -18.8131 -18.8131 -18.7732 -18.7732 -18.7544 -18.7544 -17.3233 -17.3233 -17.1808 -17.1808 -16.5709 -16.5709 -16.1941 -16.1941 -15.9258 -15.9258 -14.9185 -14.9185 -4.9294 -4.9294 -0.3810 -0.3810 -0.0973 -0.0973 0.2193 0.2193 0.2252 0.2252 0.6150 0.6150 1.0228 1.0228 1.3110 1.3110 1.7917 1.7917 2.0995 2.0995 2.4895 2.4895 2.7446 2.7446 10.7012 10.7012 11.5350 11.5350 12.3101 12.3101 14.1711 14.1711 k = 0.0625 0.0451 0.8540 ( 2600 PWs) bands (ev): -18.8130 -18.8130 -18.7732 -18.7732 -18.7545 -18.7545 -17.3235 -17.3235 -17.1807 -17.1807 -16.5708 -16.5708 -16.1941 -16.1941 -15.9258 -15.9258 -14.9184 -14.9184 -4.9289 -4.9289 -0.4020 -0.4020 -0.0917 -0.0917 0.2193 0.2193 0.2531 0.2531 0.5843 0.5843 1.0573 1.0573 1.3111 1.3111 1.7846 1.7846 2.0844 2.0844 2.4973 2.4973 2.7422 2.7422 10.7012 10.7012 11.5408 11.5408 12.3042 12.3042 14.1679 14.1679 k = 0.0750 0.0542 0.8540 ( 2600 PWs) bands (ev): -18.8129 -18.8129 -18.7731 -18.7731 -18.7546 -18.7546 -17.3238 -17.3238 -17.1806 -17.1806 -16.5708 -16.5708 -16.1941 -16.1941 -15.9258 -15.9258 -14.9183 -14.9183 -4.9284 -4.9284 -0.4247 -0.4247 -0.0848 -0.0848 0.2193 0.2193 0.2839 0.2839 0.5523 0.5523 1.0939 1.0939 1.3111 1.3111 1.7761 1.7761 2.0665 2.0665 2.5061 2.5061 2.7393 2.7393 10.7012 10.7012 11.5477 11.5477 12.2973 12.2973 14.1641 14.1641 k = 0.0875 0.0632 0.8540 ( 2600 PWs) bands (ev): -18.8129 -18.8129 -18.7730 -18.7730 -18.7546 -18.7546 -17.3242 -17.3242 -17.1804 -17.1804 -16.5708 -16.5708 -16.1940 -16.1940 -15.9258 -15.9258 -14.9183 -14.9183 -4.9278 -4.9278 -0.4482 -0.4482 -0.0768 -0.0768 0.2193 0.2193 0.3167 0.3167 0.5197 0.5197 1.1318 1.1318 1.3111 1.3111 1.7664 1.7664 2.0464 2.0464 2.5157 2.5157 2.7359 2.7359 10.7013 10.7013 11.5556 11.5556 12.2893 12.2893 14.1599 14.1599 k = 0.1000 0.0722 0.8540 ( 2604 PWs) bands (ev): -18.8128 -18.8128 -18.7730 -18.7730 -18.7547 -18.7547 -17.3245 -17.3245 -17.1802 -17.1802 -16.5708 -16.5708 -16.1940 -16.1940 -15.9258 -15.9258 -14.9182 -14.9182 -4.9271 -4.9271 -0.4717 -0.4717 -0.0674 -0.0674 0.2193 0.2193 0.3505 0.3505 0.4869 0.4869 1.1707 1.1707 1.3112 1.3112 1.7556 1.7556 2.0241 2.0241 2.5259 2.5259 2.7319 2.7319 10.7013 10.7013 11.5643 11.5643 12.2805 12.2805 14.1554 14.1554 k = 0.1125 0.0813 0.8540 ( 2604 PWs) bands (ev): -18.8127 -18.8127 -18.7729 -18.7729 -18.7548 -18.7548 -17.3249 -17.3249 -17.1801 -17.1801 -16.5708 -16.5708 -16.1939 -16.1939 -15.9257 -15.9257 -14.9182 -14.9182 -4.9265 -4.9265 -0.4948 -0.4948 -0.0569 -0.0569 0.2193 0.2193 0.3846 0.3846 0.4544 0.4544 1.2101 1.2101 1.3114 1.3114 1.7439 1.7439 2.0000 2.0000 2.5364 2.5364 2.7275 2.7275 10.7013 10.7013 11.5738 11.5738 12.2710 12.2710 14.1507 14.1507 k = 0.1250 0.0903 0.8540 ( 2602 PWs) bands (ev): -18.8127 -18.8127 -18.7728 -18.7728 -18.7549 -18.7549 -17.3253 -17.3253 -17.1799 -17.1799 -16.5707 -16.5707 -16.1939 -16.1939 -15.9257 -15.9257 -14.9181 -14.9181 -4.9258 -4.9258 -0.5169 -0.5169 -0.0450 -0.0450 0.2193 0.2193 0.4156 0.4156 0.4250 0.4250 1.2497 1.2497 1.3118 1.3118 1.7315 1.7315 1.9742 1.9742 2.5471 2.5471 2.7227 2.7227 10.7014 10.7014 11.5837 11.5837 12.2610 12.2610 14.1459 14.1459 k = 0.1375 0.0993 0.8540 ( 2602 PWs) bands (ev): -18.8126 -18.8126 -18.7727 -18.7727 -18.7550 -18.7550 -17.3257 -17.3257 -17.1797 -17.1797 -16.5707 -16.5707 -16.1938 -16.1938 -15.9257 -15.9257 -14.9180 -14.9180 -4.9251 -4.9251 -0.5378 -0.5378 -0.0320 -0.0320 0.2193 0.2193 0.3896 0.3896 0.4522 0.4522 1.2881 1.2881 1.3137 1.3137 1.7188 1.7188 1.9468 1.9468 2.5579 2.5579 2.7173 2.7173 10.7014 10.7014 11.5940 11.5940 12.2507 12.2507 14.1411 14.1411 k = 0.1500 0.1083 0.8540 ( 2602 PWs) bands (ev): -18.8125 -18.8125 -18.7726 -18.7726 -18.7551 -18.7551 -17.3261 -17.3261 -17.1795 -17.1795 -16.5707 -16.5707 -16.1938 -16.1938 -15.9257 -15.9257 -14.9179 -14.9179 -4.9244 -4.9244 -0.5570 -0.5570 -0.0178 -0.0178 0.2193 0.2193 0.3585 0.3585 0.4836 0.4836 1.3078 1.3078 1.3343 1.3343 1.7059 1.7059 1.9179 1.9179 2.5688 2.5688 2.7115 2.7115 10.7014 10.7014 11.6043 11.6043 12.2403 12.2403 14.1365 14.1365 k = 0.1625 0.1174 0.8540 ( 2614 PWs) bands (ev): -18.8124 -18.8124 -18.7725 -18.7725 -18.7552 -18.7552 -17.3265 -17.3265 -17.1794 -17.1794 -16.5707 -16.5707 -16.1938 -16.1938 -15.9257 -15.9257 -14.9179 -14.9179 -4.9238 -4.9238 -0.5745 -0.5745 -0.0024 -0.0024 0.2192 0.2192 0.3280 0.3280 0.5132 0.5132 1.3096 1.3096 1.3729 1.3729 1.6932 1.6932 1.8878 1.8878 2.5795 2.5795 2.7052 2.7052 10.7015 10.7015 11.6144 11.6144 12.2301 12.2301 14.1321 14.1321 k = 0.1750 0.1264 0.8540 ( 2616 PWs) bands (ev): -18.8124 -18.8124 -18.7725 -18.7725 -18.7553 -18.7553 -17.3268 -17.3268 -17.1792 -17.1792 -16.5707 -16.5707 -16.1938 -16.1938 -15.9257 -15.9257 -14.9178 -14.9178 -4.9232 -4.9232 -0.5900 -0.5900 0.0142 0.0142 0.2192 0.2192 0.2982 0.2982 0.5402 0.5402 1.3100 1.3100 1.4126 1.4126 1.6812 1.6812 1.8564 1.8564 2.5902 2.5902 2.6986 2.6986 10.7015 10.7015 11.6241 11.6241 12.2204 12.2204 14.1281 14.1281 k = 0.1875 0.1354 0.8540 ( 2622 PWs) bands (ev): -18.8123 -18.8123 -18.7724 -18.7724 -18.7553 -18.7553 -17.3271 -17.3271 -17.1791 -17.1791 -16.5707 -16.5707 -16.1937 -16.1937 -15.9257 -15.9257 -14.9178 -14.9178 -4.9227 -4.9227 -0.6033 -0.6033 0.0319 0.0319 0.2192 0.2192 0.2692 0.2692 0.5642 0.5642 1.3101 1.3101 1.4524 1.4524 1.6700 1.6700 1.8239 1.8239 2.6006 2.6006 2.6915 2.6915 10.7015 10.7015 11.6329 11.6329 12.2115 12.2115 14.1245 14.1245 k = 0.2000 0.1445 0.8540 ( 2620 PWs) bands (ev): -18.8123 -18.8123 -18.7723 -18.7723 -18.7554 -18.7554 -17.3273 -17.3273 -17.1790 -17.1790 -16.5707 -16.5707 -16.1937 -16.1937 -15.9257 -15.9257 -14.9177 -14.9177 -4.9222 -4.9222 -0.6144 -0.6144 0.0508 0.0508 0.2190 0.2190 0.2412 0.2412 0.5846 0.5846 1.3102 1.3102 1.4919 1.4919 1.6602 1.6602 1.7905 1.7905 2.6109 2.6109 2.6841 2.6841 10.7015 10.7015 11.6408 11.6408 12.2036 12.2036 14.1215 14.1215 k = 0.2125 0.1535 0.8540 ( 2624 PWs) bands (ev): -18.8122 -18.8122 -18.7723 -18.7723 -18.7555 -18.7555 -17.3275 -17.3275 -17.1789 -17.1789 -16.5707 -16.5707 -16.1937 -16.1937 -15.9256 -15.9256 -14.9177 -14.9177 -4.9218 -4.9218 -0.6231 -0.6231 0.0708 0.0708 0.2130 0.2130 0.2200 0.2200 0.6011 0.6011 1.3102 1.3102 1.5310 1.5310 1.6521 1.6521 1.7561 1.7561 2.6208 2.6208 2.6763 2.6763 10.7015 10.7015 11.6472 11.6472 12.1971 12.1971 14.1191 14.1191 k = 0.2250 0.1625 0.8540 ( 2624 PWs) bands (ev): -18.8122 -18.8122 -18.7722 -18.7722 -18.7555 -18.7555 -17.3277 -17.3277 -17.1788 -17.1788 -16.5707 -16.5707 -16.1937 -16.1937 -15.9256 -15.9256 -14.9177 -14.9177 -4.9216 -4.9216 -0.6294 -0.6294 0.0919 0.0919 0.1873 0.1873 0.2194 0.2194 0.6132 0.6132 1.3103 1.3103 1.5694 1.5694 1.6461 1.6461 1.7210 1.7210 2.6304 2.6304 2.6683 2.6683 10.7016 10.7016 11.6520 11.6520 12.1923 12.1923 14.1173 14.1173 k = 0.2375 0.1715 0.8540 ( 2636 PWs) bands (ev): -18.8122 -18.8122 -18.7722 -18.7722 -18.7555 -18.7555 -17.3278 -17.3278 -17.1788 -17.1788 -16.5707 -16.5707 -16.1937 -16.1937 -15.9256 -15.9256 -14.9177 -14.9177 -4.9214 -4.9214 -0.6331 -0.6331 0.1140 0.1140 0.1621 0.1621 0.2193 0.2193 0.6205 0.6205 1.3103 1.3103 1.6067 1.6067 1.6422 1.6422 1.6858 1.6858 2.6393 2.6393 2.6604 2.6604 10.7016 10.7016 11.6550 11.6550 12.1893 12.1893 14.1162 14.1162 k = 0.2500 0.1806 0.8540 ( 2640 PWs) bands (ev): -18.8122 -18.8122 -18.7722 -18.7722 -18.7555 -18.7555 -17.3278 -17.3278 -17.1788 -17.1788 -16.5707 -16.5707 -16.1937 -16.1937 -15.9257 -15.9257 -14.9177 -14.9177 -4.9214 -4.9214 -0.6344 -0.6344 0.1342 0.1342 0.1409 0.1409 0.2193 0.2193 0.6230 0.6230 1.3103 1.3103 1.6350 1.6350 1.6392 1.6392 1.6600 1.6600 2.6447 2.6447 2.6553 2.6553 10.7016 10.7016 11.6560 11.6560 12.1883 12.1883 14.1159 14.1159 Writing output data file SnF4.save init_run : 0.24s CPU 0.35s WALL ( 1 calls) electrons : 114.36s CPU 116.49s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 114.35s CPU 116.48s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 376 calls) cegterg : 103.65s CPU 105.02s WALL ( 376 calls) Called by sum_band: Called by *egterg: h_psi : 74.62s CPU 75.73s WALL ( 5291 calls) s_psi : 1.73s CPU 1.79s WALL ( 5291 calls) g_psi : 0.10s CPU 0.13s WALL ( 4539 calls) cdiaghg : 28.00s CPU 28.50s WALL ( 4915 calls) cegterg:over : 3.26s CPU 3.34s WALL ( 4539 calls) cegterg:upda : 2.08s CPU 2.07s WALL ( 4539 calls) cegterg:last : 1.78s CPU 1.78s WALL ( 1128 calls) cdiaghg:chol : 1.58s CPU 1.56s WALL ( 4915 calls) cdiaghg:inve : 0.89s CPU 0.95s WALL ( 4915 calls) cdiaghg:para : 1.76s CPU 1.76s WALL ( 9830 calls) Called by h_psi: h_psi:vloc : 69.97s CPU 71.08s WALL ( 5291 calls) h_psi:vnl : 4.54s CPU 4.54s WALL ( 5291 calls) add_vuspsi : 2.22s CPU 2.15s WALL ( 5291 calls) General routines calbec : 2.32s CPU 2.37s WALL ( 5291 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 66.19s CPU 67.14s WALL ( 659544 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.23s WALL ( 752 calls) Parallel routines fft_scatter : 21.09s CPU 21.25s WALL ( 659567 calls) PWSCF : 2m 8.61s CPU 2m38.38s WALL This run was terminated on: 18: 3:52 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=