Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:28:48 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: ./Nb2CS2.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: 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 72 42 12 1476 658 109 Max 73 43 13 1477 674 111 Sum 2601 1527 461 53139 23975 3969 bravais-lattice index = 14 lattice parameter (alat) = 16.4335 a.u. unit-cell volume = 531.7493 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 16.433537 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.929130 celldm(5)= 0.929130 celldm(6)= 0.929130 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.929130 0.369753 0.000000 ) a(3) = ( 0.929130 0.178085 0.324042 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.512836 -1.486324 ) b(2) = ( 0.000000 2.704505 -1.486324 ) b(3) = ( 0.000000 0.000000 3.086018 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Nb read from file: /users/gautes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Nb 13.00 92.90640 Nb( 1.00) C 4.00 12.01070 C( 1.00) 2 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 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 353 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 2) = ( 0.0089286 -0.0224360 -0.0132707), wk = 0.0028329 k( 3) = ( 0.0178571 -0.0448721 -0.0265415), wk = 0.0028329 k( 4) = ( 0.0267857 -0.0673081 -0.0398122), wk = 0.0028329 k( 5) = ( 0.0357143 -0.0897442 -0.0530830), wk = 0.0028329 k( 6) = ( 0.0446429 -0.1121802 -0.0663537), wk = 0.0028329 k( 7) = ( 0.0535714 -0.1346162 -0.0796245), wk = 0.0028329 k( 8) = ( 0.0625000 -0.1570523 -0.0928952), wk = 0.0028329 k( 9) = ( 0.0714286 -0.1794883 -0.1061660), wk = 0.0028329 k( 10) = ( 0.0803571 -0.2019244 -0.1194367), wk = 0.0028329 k( 11) = ( 0.0892857 -0.2243604 -0.1327075), wk = 0.0028329 k( 12) = ( 0.0982143 -0.2467965 -0.1459782), wk = 0.0028329 k( 13) = ( 0.1071429 -0.2692325 -0.1592490), wk = 0.0028329 k( 14) = ( 0.1160714 -0.2916685 -0.1725197), wk = 0.0028329 k( 15) = ( 0.1250000 -0.3141046 -0.1857905), wk = 0.0028329 k( 16) = ( 0.1339286 -0.3365406 -0.1990612), wk = 0.0028329 k( 17) = ( 0.1428571 -0.3589766 -0.2123319), wk = 0.0028329 k( 18) = ( 0.1517857 -0.3814127 -0.2256027), wk = 0.0028329 k( 19) = ( 0.1607143 -0.4038487 -0.2388734), wk = 0.0028329 k( 20) = ( 0.1696429 -0.4262848 -0.2521442), wk = 0.0028329 k( 21) = ( 0.1785714 -0.4487208 -0.2654149), wk = 0.0028329 k( 22) = ( 0.1875000 -0.4711568 -0.2786857), wk = 0.0028329 k( 23) = ( 0.1964286 -0.4935929 -0.2919564), wk = 0.0028329 k( 24) = ( 0.2053571 -0.5160289 -0.3052272), wk = 0.0028329 k( 25) = ( 0.2142857 -0.5384649 -0.3184979), wk = 0.0028329 k( 26) = ( 0.2232143 -0.5609010 -0.3317687), wk = 0.0028329 k( 27) = ( 0.2321429 -0.5833370 -0.3450394), wk = 0.0028329 k( 28) = ( 0.2410714 -0.6057731 -0.3583102), wk = 0.0028329 k( 29) = ( 0.2500000 -0.6282091 -0.3715809), wk = 0.0028329 k( 30) = ( 0.2589286 -0.6506452 -0.3848516), wk = 0.0028329 k( 31) = ( 0.2678571 -0.6730812 -0.3981224), wk = 0.0028329 k( 32) = ( 0.2767857 -0.6955172 -0.4113931), wk = 0.0028329 k( 33) = ( 0.2857143 -0.7179533 -0.4246639), wk = 0.0028329 k( 34) = ( 0.2946429 -0.7403893 -0.4379346), wk = 0.0028329 k( 35) = ( 0.3035714 -0.7628254 -0.4512054), wk = 0.0028329 k( 36) = ( 0.3125000 -0.7852614 -0.4644761), wk = 0.0028329 k( 37) = ( 0.3214286 -0.8076974 -0.4777469), wk = 0.0028329 k( 38) = ( 0.3303571 -0.8301335 -0.4910176), wk = 0.0028329 k( 39) = ( 0.3392857 -0.8525695 -0.5042884), wk = 0.0028329 k( 40) = ( 0.3482143 -0.8750056 -0.5175591), wk = 0.0028329 k( 41) = ( 0.3571429 -0.8974416 -0.5308299), wk = 0.0028329 k( 42) = ( 0.3660714 -0.9198776 -0.5441006), wk = 0.0028329 k( 43) = ( 0.3750000 -0.9423137 -0.5573714), wk = 0.0028329 k( 44) = ( 0.3839286 -0.9647497 -0.5706421), wk = 0.0028329 k( 45) = ( 0.3928571 -0.9871858 -0.5839128), wk = 0.0028329 k( 46) = ( 0.4017857 -1.0096218 -0.5971836), wk = 0.0028329 k( 47) = ( 0.4107143 -1.0320579 -0.6104543), wk = 0.0028329 k( 48) = ( 0.4196429 -1.0544939 -0.6237251), wk = 0.0028329 k( 49) = ( 0.4285714 -1.0769299 -0.6369958), wk = 0.0028329 k( 50) = ( 0.4375000 -1.0993660 -0.6502666), wk = 0.0028329 k( 51) = ( 0.4464286 -1.1218020 -0.6635373), wk = 0.0028329 k( 52) = ( 0.4553571 -1.1442380 -0.6768081), wk = 0.0028329 k( 53) = ( 0.4642857 -1.1666741 -0.6900788), wk = 0.0028329 k( 54) = ( 0.4732143 -1.1891101 -0.7033496), wk = 0.0028329 k( 55) = ( 0.4821429 -1.2115462 -0.7166203), wk = 0.0028329 k( 56) = ( 0.4910714 -1.2339822 -0.7298911), wk = 0.0028329 k( 57) = ( 0.5000000 -1.2564182 -0.7431618), wk = 0.0028329 k( 58) = ( 0.5000000 -1.2564182 -0.7431618), wk = 0.0028329 k( 59) = ( 0.5000000 -1.2425034 -0.7666867), wk = 0.0028329 k( 60) = ( 0.5000000 -1.2285886 -0.7902116), wk = 0.0028329 k( 61) = ( 0.5000000 -1.2146738 -0.8137365), wk = 0.0028329 k( 62) = ( 0.5000000 -1.2007590 -0.8372615), wk = 0.0028329 k( 63) = ( 0.5000000 -1.1868442 -0.8607864), wk = 0.0028329 k( 64) = ( 0.5000000 -1.1729294 -0.8843113), wk = 0.0028329 k( 65) = ( 0.5000000 -1.1590146 -0.9078362), wk = 0.0028329 k( 66) = ( 0.5000000 -1.1450998 -0.9313611), wk = 0.0028329 k( 67) = ( 0.5000000 -1.1311850 -0.9548860), wk = 0.0028329 k( 68) = ( 0.5000000 -1.1172702 -0.9784109), wk = 0.0028329 k( 69) = ( 0.5000000 -1.1033554 -1.0019358), wk = 0.0028329 k( 70) = ( 0.5000000 -1.0894406 -1.0254608), wk = 0.0028329 k( 71) = ( 0.5000000 -1.0755257 -1.0489857), wk = 0.0028329 k( 72) = ( 0.5000000 -1.0616110 -1.0725106), wk = 0.0028329 k( 73) = ( 0.5000000 -1.0476961 -1.0960355), wk = 0.0028329 k( 74) = ( 0.5000000 -1.0337813 -1.1195604), wk = 0.0028329 k( 75) = ( 0.5000000 -1.0198665 -1.1430853), wk = 0.0028329 k( 76) = ( 0.5000000 -1.0059517 -1.1666102), wk = 0.0028329 k( 77) = ( 0.5000000 -0.9920369 -1.1901351), wk = 0.0028329 k( 78) = ( 0.5000000 -0.9781221 -1.2136601), wk = 0.0028329 k( 79) = ( 0.5000000 -0.9642073 -1.2371850), wk = 0.0028329 k( 80) = ( 0.5000000 -0.9502925 -1.2607099), wk = 0.0028329 k( 81) = ( 0.5000000 -0.9363777 -1.2842348), wk = 0.0028329 k( 82) = ( 0.5000000 -0.9224629 -1.3077597), wk = 0.0028329 k( 83) = ( 0.5000000 -0.9085481 -1.3312846), wk = 0.0028329 k( 84) = ( 0.5000000 -0.8946333 -1.3548095), wk = 0.0028329 k( 85) = ( 0.5000000 -0.8807185 -1.3783344), wk = 0.0028329 k( 86) = ( 0.5000000 -0.8668037 -1.4018594), wk = 0.0028329 k( 87) = ( 0.5000000 -0.8528888 -1.4253843), wk = 0.0028329 k( 88) = ( 0.5000000 -0.8389741 -1.4489092), wk = 0.0028329 k( 89) = ( 0.5000000 -0.8250592 -1.4724341), wk = 0.0028329 k( 90) = ( 0.5000000 -0.8111444 -1.4959590), wk = 0.0028329 k( 91) = ( 0.5000000 -0.7972296 -1.5194839), wk = 0.0028329 k( 92) = ( 0.5000000 -0.7833148 -1.5430088), wk = 0.0028329 k( 93) = ( 0.8250684 -0.7210095 -1.4296384), wk = 0.0028329 k( 94) = ( 0.8199086 -0.7080437 -1.4060459), wk = 0.0028329 k( 95) = ( 0.8147488 -0.6950779 -1.3824535), wk = 0.0028329 k( 96) = ( 0.8095889 -0.6821121 -1.3588611), wk = 0.0028329 k( 97) = ( 0.8044291 -0.6691464 -1.3352686), wk = 0.0028329 k( 98) = ( 0.7992693 -0.6561806 -1.3116762), wk = 0.0028329 k( 99) = ( 0.7941095 -0.6432148 -1.2880837), wk = 0.0028329 k( 100) = ( 0.7889497 -0.6302490 -1.2644913), wk = 0.0028329 k( 101) = ( 0.7837899 -0.6172833 -1.2408989), wk = 0.0028329 k( 102) = ( 0.7786300 -0.6043175 -1.2173065), wk = 0.0028329 k( 103) = ( 0.7734702 -0.5913517 -1.1937140), wk = 0.0028329 k( 104) = ( 0.7683104 -0.5783860 -1.1701216), wk = 0.0028329 k( 105) = ( 0.7631506 -0.5654202 -1.1465291), wk = 0.0028329 k( 106) = ( 0.7579908 -0.5524544 -1.1229367), wk = 0.0028329 k( 107) = ( 0.7528310 -0.5394886 -1.0993443), wk = 0.0028329 k( 108) = ( 0.7476711 -0.5265229 -1.0757518), wk = 0.0028329 k( 109) = ( 0.7425113 -0.5135571 -1.0521594), wk = 0.0028329 k( 110) = ( 0.7373515 -0.5005913 -1.0285669), wk = 0.0028329 k( 111) = ( 0.7321917 -0.4876256 -1.0049745), wk = 0.0028329 k( 112) = ( 0.7270319 -0.4746598 -0.9813821), wk = 0.0028329 k( 113) = ( 0.7218721 -0.4616940 -0.9577896), wk = 0.0028329 k( 114) = ( 0.7167123 -0.4487282 -0.9341972), wk = 0.0028329 k( 115) = ( 0.7115524 -0.4357624 -0.9106047), wk = 0.0028329 k( 116) = ( 0.7063926 -0.4227967 -0.8870123), wk = 0.0028329 k( 117) = ( 0.7012328 -0.4098309 -0.8634199), wk = 0.0028329 k( 118) = ( 0.6960730 -0.3968651 -0.8398274), wk = 0.0028329 k( 119) = ( 0.6909132 -0.3838994 -0.8162350), wk = 0.0028329 k( 120) = ( 0.6857534 -0.3709336 -0.7926425), wk = 0.0028329 k( 121) = ( 0.6805935 -0.3579678 -0.7690501), wk = 0.0028329 k( 122) = ( 0.6754337 -0.3450020 -0.7454577), wk = 0.0028329 k( 123) = ( 0.6702739 -0.3320363 -0.7218652), wk = 0.0028329 k( 124) = ( 0.6651141 -0.3190705 -0.6982728), wk = 0.0028329 k( 125) = ( 0.6599543 -0.3061047 -0.6746804), wk = 0.0028329 k( 126) = ( 0.6547945 -0.2931389 -0.6510879), wk = 0.0028329 k( 127) = ( 0.6496346 -0.2801732 -0.6274955), wk = 0.0028329 k( 128) = ( 0.6444748 -0.2672074 -0.6039030), wk = 0.0028329 k( 129) = ( 0.6393150 -0.2542416 -0.5803106), wk = 0.0028329 k( 130) = ( 0.6341552 -0.2412759 -0.5567182), wk = 0.0028329 k( 131) = ( 0.6289954 -0.2283101 -0.5331257), wk = 0.0028329 k( 132) = ( 0.6238356 -0.2153443 -0.5095333), wk = 0.0028329 k( 133) = ( 0.6186758 -0.2023785 -0.4859408), wk = 0.0028329 k( 134) = ( 0.6135159 -0.1894127 -0.4623484), wk = 0.0028329 k( 135) = ( 0.6083561 -0.1764470 -0.4387560), wk = 0.0028329 k( 136) = ( 0.6031963 -0.1634812 -0.4151635), wk = 0.0028329 k( 137) = ( 0.5980365 -0.1505154 -0.3915711), wk = 0.0028329 k( 138) = ( 0.5928767 -0.1375497 -0.3679787), wk = 0.0028329 k( 139) = ( 0.5877169 -0.1245839 -0.3443862), wk = 0.0028329 k( 140) = ( 0.5825571 -0.1116181 -0.3207938), wk = 0.0028329 k( 141) = ( 0.5773972 -0.0986524 -0.2972014), wk = 0.0028329 k( 142) = ( 0.5722374 -0.0856866 -0.2736089), wk = 0.0028329 k( 143) = ( 0.5670776 -0.0727208 -0.2500165), wk = 0.0028329 k( 144) = ( 0.5619178 -0.0597550 -0.2264240), wk = 0.0028329 k( 145) = ( 0.5567580 -0.0467892 -0.2028316), wk = 0.0028329 k( 146) = ( 0.5515982 -0.0338235 -0.1792392), wk = 0.0028329 k( 147) = ( 0.5464383 -0.0208577 -0.1556467), wk = 0.0028329 k( 148) = ( 0.5412785 -0.0078919 -0.1320543), wk = 0.0028329 k( 149) = ( 0.5361187 0.0050738 -0.1084618), wk = 0.0028329 k( 150) = ( 0.5309589 0.0180396 -0.0848694), wk = 0.0028329 k( 151) = ( 0.5257991 0.0310054 -0.0612770), wk = 0.0028329 k( 152) = ( 0.5206393 0.0439712 -0.0376845), wk = 0.0028329 k( 153) = ( 0.5154794 0.0569369 -0.0140921), wk = 0.0028329 k( 154) = ( 0.5103196 0.0699027 0.0095004), wk = 0.0028329 k( 155) = ( 0.5051598 0.0828685 0.0330928), wk = 0.0028329 k( 156) = ( 0.5000000 0.0958342 0.0566852), wk = 0.0028329 k( 157) = ( 0.5000000 0.0958342 0.0566852), wk = 0.0028329 k( 158) = ( 0.4736842 0.0907903 0.0537018), wk = 0.0028329 k( 159) = ( 0.4473684 0.0857464 0.0507184), wk = 0.0028329 k( 160) = ( 0.4210526 0.0807025 0.0477349), wk = 0.0028329 k( 161) = ( 0.3947368 0.0756586 0.0447515), wk = 0.0028329 k( 162) = ( 0.3684211 0.0706147 0.0417681), wk = 0.0028329 k( 163) = ( 0.3421053 0.0655708 0.0387846), wk = 0.0028329 k( 164) = ( 0.3157895 0.0605269 0.0358012), wk = 0.0028329 k( 165) = ( 0.2894737 0.0554830 0.0328178), wk = 0.0028329 k( 166) = ( 0.2631579 0.0504391 0.0298343), wk = 0.0028329 k( 167) = ( 0.2368421 0.0453952 0.0268509), wk = 0.0028329 k( 168) = ( 0.2105263 0.0403513 0.0238675), wk = 0.0028329 k( 169) = ( 0.1842105 0.0353074 0.0208840), wk = 0.0028329 k( 170) = ( 0.1578947 0.0302634 0.0179006), wk = 0.0028329 k( 171) = ( 0.1315790 0.0252195 0.0149172), wk = 0.0028329 k( 172) = ( 0.1052632 0.0201756 0.0119337), wk = 0.0028329 k( 173) = ( 0.0789474 0.0151317 0.0089503), wk = 0.0028329 k( 174) = ( 0.0526316 0.0100878 0.0059669), wk = 0.0028329 k( 175) = ( 0.0263158 0.0050439 0.0029834), wk = 0.0028329 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 178) = ( 0.0051918 -0.0130461 -0.0237386), wk = 0.0028329 k( 179) = ( 0.0103836 -0.0260922 -0.0474772), wk = 0.0028329 k( 180) = ( 0.0155753 -0.0391383 -0.0712158), wk = 0.0028329 k( 181) = ( 0.0207671 -0.0521844 -0.0949544), wk = 0.0028329 k( 182) = ( 0.0259589 -0.0652305 -0.1186930), wk = 0.0028329 k( 183) = ( 0.0311507 -0.0782766 -0.1424316), wk = 0.0028329 k( 184) = ( 0.0363425 -0.0913227 -0.1661702), wk = 0.0028329 k( 185) = ( 0.0415343 -0.1043688 -0.1899088), wk = 0.0028329 k( 186) = ( 0.0467260 -0.1174149 -0.2136474), wk = 0.0028329 k( 187) = ( 0.0519178 -0.1304610 -0.2373860), wk = 0.0028329 k( 188) = ( 0.0571096 -0.1435071 -0.2611246), wk = 0.0028329 k( 189) = ( 0.0623014 -0.1565532 -0.2848632), wk = 0.0028329 k( 190) = ( 0.0674932 -0.1695993 -0.3086018), wk = 0.0028329 k( 191) = ( 0.0726849 -0.1826454 -0.3323404), wk = 0.0028329 k( 192) = ( 0.0778767 -0.1956915 -0.3560789), wk = 0.0028329 k( 193) = ( 0.0830685 -0.2087376 -0.3798176), wk = 0.0028329 k( 194) = ( 0.0882603 -0.2217837 -0.4035562), wk = 0.0028329 k( 195) = ( 0.0934521 -0.2348298 -0.4272948), wk = 0.0028329 k( 196) = ( 0.0986439 -0.2478759 -0.4510333), wk = 0.0028329 k( 197) = ( 0.1038356 -0.2609220 -0.4747719), wk = 0.0028329 k( 198) = ( 0.1090274 -0.2739681 -0.4985105), wk = 0.0028329 k( 199) = ( 0.1142192 -0.2870142 -0.5222492), wk = 0.0028329 k( 200) = ( 0.1194110 -0.3000603 -0.5459878), wk = 0.0028329 k( 201) = ( 0.1246028 -0.3131064 -0.5697263), wk = 0.0028329 k( 202) = ( 0.1297945 -0.3261525 -0.5934649), wk = 0.0028329 k( 203) = ( 0.1349863 -0.3391985 -0.6172035), wk = 0.0028329 k( 204) = ( 0.1401781 -0.3522446 -0.6409421), wk = 0.0028329 k( 205) = ( 0.1453699 -0.3652908 -0.6646807), wk = 0.0028329 k( 206) = ( 0.1505617 -0.3783369 -0.6884193), wk = 0.0028329 k( 207) = ( 0.1557534 -0.3913830 -0.7121579), wk = 0.0028329 k( 208) = ( 0.1609452 -0.4044290 -0.7358965), wk = 0.0028329 k( 209) = ( 0.1661370 -0.4174751 -0.7596351), wk = 0.0028329 k( 210) = ( 0.1713288 -0.4305212 -0.7833737), wk = 0.0028329 k( 211) = ( 0.1765206 -0.4435674 -0.8071123), wk = 0.0028329 k( 212) = ( 0.1817124 -0.4566134 -0.8308509), wk = 0.0028329 k( 213) = ( 0.1869041 -0.4696595 -0.8545895), wk = 0.0028329 k( 214) = ( 0.1920959 -0.4827056 -0.8783281), wk = 0.0028329 k( 215) = ( 0.1972877 -0.4957517 -0.9020667), wk = 0.0028329 k( 216) = ( 0.2024795 -0.5087978 -0.9258053), wk = 0.0028329 k( 217) = ( 0.2076713 -0.5218439 -0.9495439), wk = 0.0028329 k( 218) = ( 0.2128630 -0.5348900 -0.9732825), wk = 0.0028329 k( 219) = ( 0.2180548 -0.5479361 -0.9970211), wk = 0.0028329 k( 220) = ( 0.2232466 -0.5609822 -1.0207597), wk = 0.0028329 k( 221) = ( 0.2284384 -0.5740283 -1.0444983), wk = 0.0028329 k( 222) = ( 0.2336302 -0.5870744 -1.0682369), wk = 0.0028329 k( 223) = ( 0.2388220 -0.6001205 -1.0919755), wk = 0.0028329 k( 224) = ( 0.2440137 -0.6131666 -1.1157141), wk = 0.0028329 k( 225) = ( 0.2492055 -0.6262127 -1.1394527), wk = 0.0028329 k( 226) = ( 0.2543973 -0.6392588 -1.1631913), wk = 0.0028329 k( 227) = ( 0.2595891 -0.6523049 -1.1869299), wk = 0.0028329 k( 228) = ( 0.2647809 -0.6653510 -1.2106685), wk = 0.0028329 k( 229) = ( 0.2699726 -0.6783971 -1.2344070), wk = 0.0028329 k( 230) = ( 0.2751644 -0.6914432 -1.2581457), wk = 0.0028329 k( 231) = ( 0.2803562 -0.7044893 -1.2818843), wk = 0.0028329 k( 232) = ( 0.2855480 -0.7175354 -1.3056229), wk = 0.0028329 k( 233) = ( 0.2907398 -0.7305815 -1.3293615), wk = 0.0028329 k( 234) = ( 0.2959315 -0.7436276 -1.3531000), wk = 0.0028329 k( 235) = ( 0.3011233 -0.7566737 -1.3768386), wk = 0.0028329 k( 236) = ( 0.3063151 -0.7697198 -1.4005773), wk = 0.0028329 k( 237) = ( 0.3115069 -0.7827659 -1.4243159), wk = 0.0028329 k( 238) = ( 0.3166987 -0.7958120 -1.4480544), wk = 0.0028329 k( 239) = ( 0.3218905 -0.8088581 -1.4717930), wk = 0.0028329 k( 240) = ( 0.3270822 -0.8219042 -1.4955316), wk = 0.0028329 k( 241) = ( 0.3322740 -0.8349503 -1.5192702), wk = 0.0028329 k( 242) = ( 0.3374658 -0.8479964 -1.5430089), wk = 0.0028329 k( 243) = ( 0.6625342 -0.7521621 -1.4863236), wk = 0.0028329 k( 244) = ( 0.6574550 -0.7256623 -1.4863236), wk = 0.0028329 k( 245) = ( 0.6523758 -0.6991624 -1.4863236), wk = 0.0028329 k( 246) = ( 0.6472966 -0.6726625 -1.4863236), wk = 0.0028329 k( 247) = ( 0.6422174 -0.6461626 -1.4863236), wk = 0.0028329 k( 248) = ( 0.6371382 -0.6196627 -1.4863236), wk = 0.0028329 k( 249) = ( 0.6320590 -0.5931628 -1.4863236), wk = 0.0028329 k( 250) = ( 0.6269798 -0.5666629 -1.4863236), wk = 0.0028329 k( 251) = ( 0.6219007 -0.5401631 -1.4863236), wk = 0.0028329 k( 252) = ( 0.6168214 -0.5136631 -1.4863236), wk = 0.0028329 k( 253) = ( 0.6117423 -0.4871633 -1.4863236), wk = 0.0028329 k( 254) = ( 0.6066631 -0.4606634 -1.4863236), wk = 0.0028329 k( 255) = ( 0.6015839 -0.4341635 -1.4863236), wk = 0.0028329 k( 256) = ( 0.5965047 -0.4076636 -1.4863236), wk = 0.0028329 k( 257) = ( 0.5914255 -0.3811637 -1.4863236), wk = 0.0028329 k( 258) = ( 0.5863463 -0.3546638 -1.4863236), wk = 0.0028329 k( 259) = ( 0.5812671 -0.3281640 -1.4863236), wk = 0.0028329 k( 260) = ( 0.5761879 -0.3016640 -1.4863236), wk = 0.0028329 k( 261) = ( 0.5711087 -0.2751642 -1.4863236), wk = 0.0028329 k( 262) = ( 0.5660295 -0.2486643 -1.4863236), wk = 0.0028329 k( 263) = ( 0.5609503 -0.2221644 -1.4863236), wk = 0.0028329 k( 264) = ( 0.5558711 -0.1956645 -1.4863236), wk = 0.0028329 k( 265) = ( 0.5507919 -0.1691646 -1.4863236), wk = 0.0028329 k( 266) = ( 0.5457127 -0.1426647 -1.4863236), wk = 0.0028329 k( 267) = ( 0.5406336 -0.1161649 -1.4863236), wk = 0.0028329 k( 268) = ( 0.5355543 -0.0896649 -1.4863236), wk = 0.0028329 k( 269) = ( 0.5304752 -0.0631651 -1.4863236), wk = 0.0028329 k( 270) = ( 0.5253960 -0.0366652 -1.4863236), wk = 0.0028329 k( 271) = ( 0.5203168 -0.0101653 -1.4863236), wk = 0.0028329 k( 272) = ( 0.5152376 0.0163346 -1.4863236), wk = 0.0028329 k( 273) = ( 0.5101584 0.0428345 -1.4863236), wk = 0.0028329 k( 274) = ( 0.5050792 0.0693344 -1.4863236), wk = 0.0028329 k( 275) = ( 0.5000000 0.0958342 -1.4863236), wk = 0.0028329 k( 276) = ( 0.5000000 0.0958342 -1.4863236), wk = 0.0028329 k( 277) = ( 0.5232192 0.1002846 -1.4782257), wk = 0.0028329 k( 278) = ( 0.5464383 0.1047350 -1.4701278), wk = 0.0028329 k( 279) = ( 0.5696575 0.1091854 -1.4620299), wk = 0.0028329 k( 280) = ( 0.5928767 0.1136358 -1.4539320), wk = 0.0028329 k( 281) = ( 0.6160959 0.1180862 -1.4458342), wk = 0.0028329 k( 282) = ( 0.6393150 0.1225365 -1.4377363), wk = 0.0028329 k( 283) = ( 0.6625342 0.1269869 -1.4296384), wk = 0.0028329 k( 284) = ( 0.6625342 0.1269869 -1.4296384), wk = 0.0028329 k( 285) = ( 0.6595790 0.1264205 -1.4026143), wk = 0.0028329 k( 286) = ( 0.6566239 0.1258541 -1.3755903), wk = 0.0028329 k( 287) = ( 0.6536687 0.1252877 -1.3485662), wk = 0.0028329 k( 288) = ( 0.6507135 0.1247213 -1.3215421), wk = 0.0028329 k( 289) = ( 0.6477584 0.1241549 -1.2945181), wk = 0.0028329 k( 290) = ( 0.6448032 0.1235885 -1.2674940), wk = 0.0028329 k( 291) = ( 0.6418480 0.1230220 -1.2404699), wk = 0.0028329 k( 292) = ( 0.6388929 0.1224556 -1.2134459), wk = 0.0028329 k( 293) = ( 0.6359377 0.1218892 -1.1864218), wk = 0.0028329 k( 294) = ( 0.6329825 0.1213228 -1.1593977), wk = 0.0028329 k( 295) = ( 0.6300274 0.1207564 -1.1323737), wk = 0.0028329 k( 296) = ( 0.6270722 0.1201900 -1.1053496), wk = 0.0028329 k( 297) = ( 0.6241170 0.1196236 -1.0783255), wk = 0.0028329 k( 298) = ( 0.6211619 0.1190572 -1.0513015), wk = 0.0028329 k( 299) = ( 0.6182067 0.1184907 -1.0242774), wk = 0.0028329 k( 300) = ( 0.6152515 0.1179243 -0.9972533), wk = 0.0028329 k( 301) = ( 0.6122964 0.1173579 -0.9702292), wk = 0.0028329 k( 302) = ( 0.6093412 0.1167915 -0.9432052), wk = 0.0028329 k( 303) = ( 0.6063860 0.1162251 -0.9161812), wk = 0.0028329 k( 304) = ( 0.6034308 0.1156587 -0.8891571), wk = 0.0028329 k( 305) = ( 0.6004757 0.1150923 -0.8621330), wk = 0.0028329 k( 306) = ( 0.5975205 0.1145259 -0.8351089), wk = 0.0028329 k( 307) = ( 0.5945653 0.1139594 -0.8080849), wk = 0.0028329 k( 308) = ( 0.5916102 0.1133930 -0.7810608), wk = 0.0028329 k( 309) = ( 0.5886550 0.1128266 -0.7540367), wk = 0.0028329 k( 310) = ( 0.5856999 0.1122602 -0.7270127), wk = 0.0028329 k( 311) = ( 0.5827447 0.1116938 -0.6999886), wk = 0.0028329 k( 312) = ( 0.5797895 0.1111274 -0.6729645), wk = 0.0028329 k( 313) = ( 0.5768344 0.1105610 -0.6459405), wk = 0.0028329 k( 314) = ( 0.5738792 0.1099946 -0.6189164), wk = 0.0028329 k( 315) = ( 0.5709240 0.1094281 -0.5918923), wk = 0.0028329 k( 316) = ( 0.5679688 0.1088617 -0.5648683), wk = 0.0028329 k( 317) = ( 0.5650137 0.1082953 -0.5378442), wk = 0.0028329 k( 318) = ( 0.5620585 0.1077289 -0.5108201), wk = 0.0028329 k( 319) = ( 0.5591033 0.1071625 -0.4837961), wk = 0.0028329 k( 320) = ( 0.5561482 0.1065961 -0.4567720), wk = 0.0028329 k( 321) = ( 0.5531930 0.1060297 -0.4297480), wk = 0.0028329 k( 322) = ( 0.5502378 0.1054633 -0.4027239), wk = 0.0028329 k( 323) = ( 0.5472827 0.1048968 -0.3756998), wk = 0.0028329 k( 324) = ( 0.5443275 0.1043304 -0.3486757), wk = 0.0028329 k( 325) = ( 0.5413723 0.1037640 -0.3216517), wk = 0.0028329 k( 326) = ( 0.5384172 0.1031976 -0.2946276), wk = 0.0028329 k( 327) = ( 0.5354620 0.1026312 -0.2676036), wk = 0.0028329 k( 328) = ( 0.5325068 0.1020648 -0.2405795), wk = 0.0028329 k( 329) = ( 0.5295517 0.1014984 -0.2135554), wk = 0.0028329 k( 330) = ( 0.5265965 0.1009320 -0.1865314), wk = 0.0028329 k( 331) = ( 0.5236413 0.1003655 -0.1595073), wk = 0.0028329 k( 332) = ( 0.5206862 0.0997991 -0.1324832), wk = 0.0028329 k( 333) = ( 0.5177310 0.0992327 -0.1054592), wk = 0.0028329 k( 334) = ( 0.5147758 0.0986663 -0.0784351), wk = 0.0028329 k( 335) = ( 0.5118207 0.0980999 -0.0514110), wk = 0.0028329 k( 336) = ( 0.5088655 0.0975335 -0.0243870), wk = 0.0028329 k( 337) = ( 0.5059103 0.0969671 0.0026371), wk = 0.0028329 k( 338) = ( 0.5029552 0.0964007 0.0296612), wk = 0.0028329 k( 339) = ( 0.5000000 0.0958342 0.0566852), wk = 0.0028329 k( 340) = ( 0.5000000 -1.2564182 -0.7431618), wk = 0.0028329 k( 341) = ( 0.5250053 -1.2490464 -0.7388014), wk = 0.0028329 k( 342) = ( 0.5500105 -1.2416745 -0.7344410), wk = 0.0028329 k( 343) = ( 0.5750158 -1.2343027 -0.7300806), wk = 0.0028329 k( 344) = ( 0.6000210 -1.2269308 -0.7257202), wk = 0.0028329 k( 345) = ( 0.6250263 -1.2195589 -0.7213598), wk = 0.0028329 k( 346) = ( 0.6500316 -1.2121870 -0.7169994), wk = 0.0028329 k( 347) = ( 0.6750368 -1.2048152 -0.7126390), wk = 0.0028329 k( 348) = ( 0.7000421 -1.1974433 -0.7082786), wk = 0.0028329 k( 349) = ( 0.7250473 -1.1900715 -0.7039182), wk = 0.0028329 k( 350) = ( 0.7500526 -1.1826996 -0.6995578), wk = 0.0028329 k( 351) = ( 0.7750579 -1.1753277 -0.6951974), wk = 0.0028329 k( 352) = ( 0.8000631 -1.1679559 -0.6908370), wk = 0.0028329 k( 353) = ( 0.8250684 -1.1605840 -0.6864766), wk = 0.0028329 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 2) = ( 0.0089286 0.0000000 0.0000000), wk = 0.0028329 k( 3) = ( 0.0178571 0.0000000 0.0000000), wk = 0.0028329 k( 4) = ( 0.0267857 0.0000000 0.0000000), wk = 0.0028329 k( 5) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0028329 k( 6) = ( 0.0446429 0.0000000 0.0000000), wk = 0.0028329 k( 7) = ( 0.0535714 0.0000000 0.0000000), wk = 0.0028329 k( 8) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0028329 k( 9) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0028329 k( 10) = ( 0.0803571 0.0000000 0.0000000), wk = 0.0028329 k( 11) = ( 0.0892857 0.0000000 0.0000000), wk = 0.0028329 k( 12) = ( 0.0982143 0.0000000 -0.0000000), wk = 0.0028329 k( 13) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0028329 k( 14) = ( 0.1160714 0.0000000 0.0000000), wk = 0.0028329 k( 15) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0028329 k( 16) = ( 0.1339286 0.0000000 0.0000000), wk = 0.0028329 k( 17) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0028329 k( 18) = ( 0.1517857 0.0000000 0.0000000), wk = 0.0028329 k( 19) = ( 0.1607143 0.0000000 0.0000000), wk = 0.0028329 k( 20) = ( 0.1696429 0.0000000 0.0000000), wk = 0.0028329 k( 21) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0028329 k( 22) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0028329 k( 23) = ( 0.1964286 0.0000000 -0.0000000), wk = 0.0028329 k( 24) = ( 0.2053571 0.0000000 -0.0000000), wk = 0.0028329 k( 25) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0028329 k( 26) = ( 0.2232143 0.0000000 0.0000000), wk = 0.0028329 k( 27) = ( 0.2321429 0.0000000 0.0000000), wk = 0.0028329 k( 28) = ( 0.2410714 0.0000000 0.0000000), wk = 0.0028329 k( 29) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0028329 k( 30) = ( 0.2589286 0.0000000 0.0000000), wk = 0.0028329 k( 31) = ( 0.2678571 0.0000000 0.0000000), wk = 0.0028329 k( 32) = ( 0.2767857 0.0000000 0.0000000), wk = 0.0028329 k( 33) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0028329 k( 34) = ( 0.2946429 0.0000000 0.0000000), wk = 0.0028329 k( 35) = ( 0.3035714 0.0000000 0.0000000), wk = 0.0028329 k( 36) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0028329 k( 37) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0028329 k( 38) = ( 0.3303571 0.0000000 -0.0000000), wk = 0.0028329 k( 39) = ( 0.3392857 0.0000000 0.0000000), wk = 0.0028329 k( 40) = ( 0.3482143 0.0000000 0.0000000), wk = 0.0028329 k( 41) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0028329 k( 42) = ( 0.3660714 0.0000000 -0.0000000), wk = 0.0028329 k( 43) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0028329 k( 44) = ( 0.3839286 0.0000000 0.0000000), wk = 0.0028329 k( 45) = ( 0.3928571 0.0000000 -0.0000000), wk = 0.0028329 k( 46) = ( 0.4017857 0.0000000 0.0000000), wk = 0.0028329 k( 47) = ( 0.4107143 0.0000000 0.0000000), wk = 0.0028329 k( 48) = ( 0.4196429 0.0000000 0.0000000), wk = 0.0028329 k( 49) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0028329 k( 50) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0028329 k( 51) = ( 0.4464286 0.0000000 0.0000000), wk = 0.0028329 k( 52) = ( 0.4553571 0.0000000 0.0000000), wk = 0.0028329 k( 53) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0028329 k( 54) = ( 0.4732143 0.0000000 0.0000000), wk = 0.0028329 k( 55) = ( 0.4821429 0.0000000 0.0000000), wk = 0.0028329 k( 56) = ( 0.4910714 0.0000000 0.0000000), wk = 0.0028329 k( 57) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028329 k( 58) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028329 k( 59) = ( 0.5000000 0.0051451 -0.0051450), wk = 0.0028329 k( 60) = ( 0.5000000 0.0102901 -0.0102901), wk = 0.0028329 k( 61) = ( 0.5000000 0.0154351 -0.0154351), wk = 0.0028329 k( 62) = ( 0.5000000 0.0205802 -0.0205802), wk = 0.0028329 k( 63) = ( 0.5000000 0.0257252 -0.0257252), wk = 0.0028329 k( 64) = ( 0.5000000 0.0308703 -0.0308703), wk = 0.0028329 k( 65) = ( 0.5000000 0.0360153 -0.0360153), wk = 0.0028329 k( 66) = ( 0.5000000 0.0411604 -0.0411604), wk = 0.0028329 k( 67) = ( 0.5000000 0.0463054 -0.0463054), wk = 0.0028329 k( 68) = ( 0.5000000 0.0514505 -0.0514505), wk = 0.0028329 k( 69) = ( 0.5000000 0.0565955 -0.0565955), wk = 0.0028329 k( 70) = ( 0.5000000 0.0617406 -0.0617406), wk = 0.0028329 k( 71) = ( 0.5000000 0.0668856 -0.0668856), wk = 0.0028329 k( 72) = ( 0.5000000 0.0720307 -0.0720307), wk = 0.0028329 k( 73) = ( 0.5000000 0.0771757 -0.0771757), wk = 0.0028329 k( 74) = ( 0.5000000 0.0823208 -0.0823208), wk = 0.0028329 k( 75) = ( 0.5000000 0.0874658 -0.0874658), wk = 0.0028329 k( 76) = ( 0.5000000 0.0926109 -0.0926108), wk = 0.0028329 k( 77) = ( 0.5000000 0.0977559 -0.0977559), wk = 0.0028329 k( 78) = ( 0.5000000 0.1029010 -0.1029009), wk = 0.0028329 k( 79) = ( 0.5000000 0.1080460 -0.1080460), wk = 0.0028329 k( 80) = ( 0.5000000 0.1131910 -0.1131910), wk = 0.0028329 k( 81) = ( 0.5000000 0.1183361 -0.1183361), wk = 0.0028329 k( 82) = ( 0.5000000 0.1234811 -0.1234811), wk = 0.0028329 k( 83) = ( 0.5000000 0.1286262 -0.1286262), wk = 0.0028329 k( 84) = ( 0.5000000 0.1337712 -0.1337712), wk = 0.0028329 k( 85) = ( 0.5000000 0.1389163 -0.1389163), wk = 0.0028329 k( 86) = ( 0.5000000 0.1440613 -0.1440613), wk = 0.0028329 k( 87) = ( 0.5000000 0.1492064 -0.1492064), wk = 0.0028329 k( 88) = ( 0.5000000 0.1543514 -0.1543514), wk = 0.0028329 k( 89) = ( 0.5000000 0.1594965 -0.1594965), wk = 0.0028329 k( 90) = ( 0.5000000 0.1646415 -0.1646415), wk = 0.0028329 k( 91) = ( 0.5000000 0.1697866 -0.1697866), wk = 0.0028329 k( 92) = ( 0.5000000 0.1749316 -0.1749316), wk = 0.0028329 k( 93) = ( 0.8250684 0.5000000 0.1749316), wk = 0.0028329 k( 94) = ( 0.8199086 0.5000000 0.1800914), wk = 0.0028329 k( 95) = ( 0.8147488 0.5000000 0.1852512), wk = 0.0028329 k( 96) = ( 0.8095889 0.5000000 0.1904111), wk = 0.0028329 k( 97) = ( 0.8044291 0.5000000 0.1955709), wk = 0.0028329 k( 98) = ( 0.7992693 0.5000000 0.2007307), wk = 0.0028329 k( 99) = ( 0.7941095 0.5000000 0.2058905), wk = 0.0028329 k( 100) = ( 0.7889497 0.5000000 0.2110503), wk = 0.0028329 k( 101) = ( 0.7837899 0.5000000 0.2162101), wk = 0.0028329 k( 102) = ( 0.7786300 0.5000000 0.2213699), wk = 0.0028329 k( 103) = ( 0.7734702 0.5000000 0.2265298), wk = 0.0028329 k( 104) = ( 0.7683104 0.5000000 0.2316896), wk = 0.0028329 k( 105) = ( 0.7631506 0.5000000 0.2368494), wk = 0.0028329 k( 106) = ( 0.7579908 0.5000000 0.2420092), wk = 0.0028329 k( 107) = ( 0.7528310 0.5000000 0.2471690), wk = 0.0028329 k( 108) = ( 0.7476711 0.5000000 0.2523289), wk = 0.0028329 k( 109) = ( 0.7425113 0.5000000 0.2574887), wk = 0.0028329 k( 110) = ( 0.7373515 0.5000000 0.2626485), wk = 0.0028329 k( 111) = ( 0.7321917 0.5000000 0.2678083), wk = 0.0028329 k( 112) = ( 0.7270319 0.5000000 0.2729681), wk = 0.0028329 k( 113) = ( 0.7218721 0.5000000 0.2781279), wk = 0.0028329 k( 114) = ( 0.7167123 0.5000000 0.2832877), wk = 0.0028329 k( 115) = ( 0.7115524 0.5000000 0.2884476), wk = 0.0028329 k( 116) = ( 0.7063926 0.5000000 0.2936074), wk = 0.0028329 k( 117) = ( 0.7012328 0.5000000 0.2987672), wk = 0.0028329 k( 118) = ( 0.6960730 0.5000000 0.3039270), wk = 0.0028329 k( 119) = ( 0.6909132 0.5000000 0.3090868), wk = 0.0028329 k( 120) = ( 0.6857534 0.5000000 0.3142466), wk = 0.0028329 k( 121) = ( 0.6805935 0.5000000 0.3194065), wk = 0.0028329 k( 122) = ( 0.6754337 0.5000000 0.3245663), wk = 0.0028329 k( 123) = ( 0.6702739 0.5000000 0.3297261), wk = 0.0028329 k( 124) = ( 0.6651141 0.5000000 0.3348859), wk = 0.0028329 k( 125) = ( 0.6599543 0.5000000 0.3400457), wk = 0.0028329 k( 126) = ( 0.6547945 0.5000000 0.3452055), wk = 0.0028329 k( 127) = ( 0.6496346 0.5000000 0.3503654), wk = 0.0028329 k( 128) = ( 0.6444748 0.5000000 0.3555252), wk = 0.0028329 k( 129) = ( 0.6393150 0.5000000 0.3606850), wk = 0.0028329 k( 130) = ( 0.6341552 0.5000000 0.3658448), wk = 0.0028329 k( 131) = ( 0.6289954 0.5000000 0.3710046), wk = 0.0028329 k( 132) = ( 0.6238356 0.5000000 0.3761644), wk = 0.0028329 k( 133) = ( 0.6186758 0.5000000 0.3813242), wk = 0.0028329 k( 134) = ( 0.6135159 0.5000000 0.3864841), wk = 0.0028329 k( 135) = ( 0.6083561 0.5000000 0.3916439), wk = 0.0028329 k( 136) = ( 0.6031963 0.5000000 0.3968037), wk = 0.0028329 k( 137) = ( 0.5980365 0.5000000 0.4019635), wk = 0.0028329 k( 138) = ( 0.5928767 0.5000000 0.4071233), wk = 0.0028329 k( 139) = ( 0.5877169 0.5000000 0.4122831), wk = 0.0028329 k( 140) = ( 0.5825571 0.5000000 0.4174429), wk = 0.0028329 k( 141) = ( 0.5773972 0.5000000 0.4226028), wk = 0.0028329 k( 142) = ( 0.5722374 0.5000000 0.4277626), wk = 0.0028329 k( 143) = ( 0.5670776 0.5000000 0.4329224), wk = 0.0028329 k( 144) = ( 0.5619178 0.5000000 0.4380822), wk = 0.0028329 k( 145) = ( 0.5567580 0.5000000 0.4432420), wk = 0.0028329 k( 146) = ( 0.5515982 0.5000000 0.4484018), wk = 0.0028329 k( 147) = ( 0.5464383 0.5000000 0.4535617), wk = 0.0028329 k( 148) = ( 0.5412785 0.5000000 0.4587215), wk = 0.0028329 k( 149) = ( 0.5361187 0.5000000 0.4638813), wk = 0.0028329 k( 150) = ( 0.5309589 0.5000000 0.4690411), wk = 0.0028329 k( 151) = ( 0.5257991 0.5000000 0.4742009), wk = 0.0028329 k( 152) = ( 0.5206393 0.5000000 0.4793607), wk = 0.0028329 k( 153) = ( 0.5154794 0.5000000 0.4845205), wk = 0.0028329 k( 154) = ( 0.5103196 0.5000000 0.4896804), wk = 0.0028329 k( 155) = ( 0.5051598 0.5000000 0.4948402), wk = 0.0028329 k( 156) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028329 k( 157) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028329 k( 158) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0028329 k( 159) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0028329 k( 160) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0028329 k( 161) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0028329 k( 162) = ( 0.3684211 0.3684211 0.3684211), wk = 0.0028329 k( 163) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0028329 k( 164) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0028329 k( 165) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0028329 k( 166) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0028329 k( 167) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0028329 k( 168) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0028329 k( 169) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0028329 k( 170) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0028329 k( 171) = ( 0.1315790 0.1315790 0.1315790), wk = 0.0028329 k( 172) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0028329 k( 173) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0028329 k( 174) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0028329 k( 175) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0028329 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028329 k( 178) = ( 0.0051918 0.0000000 -0.0051918), wk = 0.0028329 k( 179) = ( 0.0103836 0.0000000 -0.0103836), wk = 0.0028329 k( 180) = ( 0.0155753 0.0000000 -0.0155753), wk = 0.0028329 k( 181) = ( 0.0207671 0.0000000 -0.0207671), wk = 0.0028329 k( 182) = ( 0.0259589 0.0000000 -0.0259589), wk = 0.0028329 k( 183) = ( 0.0311507 0.0000000 -0.0311507), wk = 0.0028329 k( 184) = ( 0.0363425 0.0000000 -0.0363425), wk = 0.0028329 k( 185) = ( 0.0415343 0.0000000 -0.0415342), wk = 0.0028329 k( 186) = ( 0.0467260 0.0000000 -0.0467260), wk = 0.0028329 k( 187) = ( 0.0519178 0.0000000 -0.0519178), wk = 0.0028329 k( 188) = ( 0.0571096 0.0000000 -0.0571096), wk = 0.0028329 k( 189) = ( 0.0623014 0.0000000 -0.0623014), wk = 0.0028329 k( 190) = ( 0.0674932 0.0000000 -0.0674932), wk = 0.0028329 k( 191) = ( 0.0726849 0.0000000 -0.0726849), wk = 0.0028329 k( 192) = ( 0.0778767 0.0000000 -0.0778767), wk = 0.0028329 k( 193) = ( 0.0830685 0.0000000 -0.0830685), wk = 0.0028329 k( 194) = ( 0.0882603 0.0000000 -0.0882603), wk = 0.0028329 k( 195) = ( 0.0934521 0.0000000 -0.0934521), wk = 0.0028329 k( 196) = ( 0.0986439 0.0000000 -0.0986439), wk = 0.0028329 k( 197) = ( 0.1038356 0.0000000 -0.1038356), wk = 0.0028329 k( 198) = ( 0.1090274 0.0000000 -0.1090274), wk = 0.0028329 k( 199) = ( 0.1142192 0.0000000 -0.1142192), wk = 0.0028329 k( 200) = ( 0.1194110 0.0000000 -0.1194110), wk = 0.0028329 k( 201) = ( 0.1246028 0.0000000 -0.1246028), wk = 0.0028329 k( 202) = ( 0.1297945 0.0000000 -0.1297945), wk = 0.0028329 k( 203) = ( 0.1349863 0.0000000 -0.1349863), wk = 0.0028329 k( 204) = ( 0.1401781 0.0000000 -0.1401781), wk = 0.0028329 k( 205) = ( 0.1453699 0.0000000 -0.1453699), wk = 0.0028329 k( 206) = ( 0.1505617 0.0000000 -0.1505617), wk = 0.0028329 k( 207) = ( 0.1557534 0.0000000 -0.1557534), wk = 0.0028329 k( 208) = ( 0.1609452 0.0000000 -0.1609452), wk = 0.0028329 k( 209) = ( 0.1661370 0.0000000 -0.1661370), wk = 0.0028329 k( 210) = ( 0.1713288 0.0000000 -0.1713288), wk = 0.0028329 k( 211) = ( 0.1765206 0.0000000 -0.1765206), wk = 0.0028329 k( 212) = ( 0.1817124 0.0000000 -0.1817124), wk = 0.0028329 k( 213) = ( 0.1869041 0.0000000 -0.1869041), wk = 0.0028329 k( 214) = ( 0.1920959 0.0000000 -0.1920959), wk = 0.0028329 k( 215) = ( 0.1972877 0.0000000 -0.1972877), wk = 0.0028329 k( 216) = ( 0.2024795 0.0000000 -0.2024795), wk = 0.0028329 k( 217) = ( 0.2076713 0.0000000 -0.2076713), wk = 0.0028329 k( 218) = ( 0.2128630 0.0000000 -0.2128630), wk = 0.0028329 k( 219) = ( 0.2180548 -0.0000000 -0.2180548), wk = 0.0028329 k( 220) = ( 0.2232466 0.0000000 -0.2232466), wk = 0.0028329 k( 221) = ( 0.2284384 0.0000000 -0.2284384), wk = 0.0028329 k( 222) = ( 0.2336302 0.0000000 -0.2336302), wk = 0.0028329 k( 223) = ( 0.2388220 0.0000000 -0.2388220), wk = 0.0028329 k( 224) = ( 0.2440137 0.0000000 -0.2440137), wk = 0.0028329 k( 225) = ( 0.2492055 0.0000000 -0.2492055), wk = 0.0028329 k( 226) = ( 0.2543973 0.0000000 -0.2543973), wk = 0.0028329 k( 227) = ( 0.2595891 0.0000000 -0.2595891), wk = 0.0028329 k( 228) = ( 0.2647809 0.0000000 -0.2647809), wk = 0.0028329 k( 229) = ( 0.2699726 0.0000000 -0.2699726), wk = 0.0028329 k( 230) = ( 0.2751644 0.0000000 -0.2751644), wk = 0.0028329 k( 231) = ( 0.2803562 0.0000000 -0.2803562), wk = 0.0028329 k( 232) = ( 0.2855480 0.0000000 -0.2855480), wk = 0.0028329 k( 233) = ( 0.2907398 0.0000000 -0.2907398), wk = 0.0028329 k( 234) = ( 0.2959315 0.0000000 -0.2959315), wk = 0.0028329 k( 235) = ( 0.3011233 0.0000000 -0.3011233), wk = 0.0028329 k( 236) = ( 0.3063151 0.0000000 -0.3063151), wk = 0.0028329 k( 237) = ( 0.3115069 0.0000000 -0.3115069), wk = 0.0028329 k( 238) = ( 0.3166987 0.0000000 -0.3166987), wk = 0.0028329 k( 239) = ( 0.3218905 0.0000000 -0.3218905), wk = 0.0028329 k( 240) = ( 0.3270822 0.0000000 -0.3270822), wk = 0.0028329 k( 241) = ( 0.3322740 0.0000000 -0.3322740), wk = 0.0028329 k( 242) = ( 0.3374658 0.0000000 -0.3374658), wk = 0.0028329 k( 243) = ( 0.6625342 0.3374658 0.0000000), wk = 0.0028329 k( 244) = ( 0.6574550 0.3425450 0.0000000), wk = 0.0028329 k( 245) = ( 0.6523758 0.3476242 0.0000000), wk = 0.0028329 k( 246) = ( 0.6472966 0.3527034 0.0000000), wk = 0.0028329 k( 247) = ( 0.6422174 0.3577826 0.0000000), wk = 0.0028329 k( 248) = ( 0.6371382 0.3628618 0.0000000), wk = 0.0028329 k( 249) = ( 0.6320590 0.3679410 0.0000000), wk = 0.0028329 k( 250) = ( 0.6269798 0.3730202 -0.0000000), wk = 0.0028329 k( 251) = ( 0.6219007 0.3780994 0.0000000), wk = 0.0028329 k( 252) = ( 0.6168214 0.3831786 0.0000000), wk = 0.0028329 k( 253) = ( 0.6117423 0.3882577 0.0000000), wk = 0.0028329 k( 254) = ( 0.6066631 0.3933369 0.0000000), wk = 0.0028329 k( 255) = ( 0.6015839 0.3984161 -0.0000000), wk = 0.0028329 k( 256) = ( 0.5965047 0.4034953 -0.0000000), wk = 0.0028329 k( 257) = ( 0.5914255 0.4085745 0.0000000), wk = 0.0028329 k( 258) = ( 0.5863463 0.4136537 0.0000000), wk = 0.0028329 k( 259) = ( 0.5812671 0.4187329 0.0000000), wk = 0.0028329 k( 260) = ( 0.5761879 0.4238121 0.0000000), wk = 0.0028329 k( 261) = ( 0.5711087 0.4288913 -0.0000000), wk = 0.0028329 k( 262) = ( 0.5660295 0.4339705 -0.0000000), wk = 0.0028329 k( 263) = ( 0.5609503 0.4390497 0.0000000), wk = 0.0028329 k( 264) = ( 0.5558711 0.4441289 0.0000000), wk = 0.0028329 k( 265) = ( 0.5507919 0.4492081 -0.0000000), wk = 0.0028329 k( 266) = ( 0.5457127 0.4542873 0.0000000), wk = 0.0028329 k( 267) = ( 0.5406336 0.4593664 -0.0000000), wk = 0.0028329 k( 268) = ( 0.5355543 0.4644457 0.0000000), wk = 0.0028329 k( 269) = ( 0.5304752 0.4695248 -0.0000000), wk = 0.0028329 k( 270) = ( 0.5253960 0.4746040 0.0000000), wk = 0.0028329 k( 271) = ( 0.5203168 0.4796832 0.0000000), wk = 0.0028329 k( 272) = ( 0.5152376 0.4847624 -0.0000000), wk = 0.0028329 k( 273) = ( 0.5101584 0.4898416 -0.0000000), wk = 0.0028329 k( 274) = ( 0.5050792 0.4949208 0.0000000), wk = 0.0028329 k( 275) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028329 k( 276) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0028329 k( 277) = ( 0.5232192 0.5232192 0.0249902), wk = 0.0028329 k( 278) = ( 0.5464383 0.5464383 0.0499805), wk = 0.0028329 k( 279) = ( 0.5696575 0.5696575 0.0749707), wk = 0.0028329 k( 280) = ( 0.5928767 0.5928767 0.0999609), wk = 0.0028329 k( 281) = ( 0.6160959 0.6160959 0.1249512), wk = 0.0028329 k( 282) = ( 0.6393150 0.6393150 0.1499414), wk = 0.0028329 k( 283) = ( 0.6625342 0.6625342 0.1749316), wk = 0.0028329 k( 284) = ( 0.6625342 0.6625342 0.1749316), wk = 0.0028329 k( 285) = ( 0.6595790 0.6595790 0.1808420), wk = 0.0028329 k( 286) = ( 0.6566239 0.6566239 0.1867523), wk = 0.0028329 k( 287) = ( 0.6536687 0.6536687 0.1926626), wk = 0.0028329 k( 288) = ( 0.6507135 0.6507135 0.1985729), wk = 0.0028329 k( 289) = ( 0.6477584 0.6477584 0.2044833), wk = 0.0028329 k( 290) = ( 0.6448032 0.6448032 0.2103936), wk = 0.0028329 k( 291) = ( 0.6418480 0.6418480 0.2163039), wk = 0.0028329 k( 292) = ( 0.6388929 0.6388929 0.2222143), wk = 0.0028329 k( 293) = ( 0.6359377 0.6359377 0.2281246), wk = 0.0028329 k( 294) = ( 0.6329825 0.6329825 0.2340350), wk = 0.0028329 k( 295) = ( 0.6300274 0.6300274 0.2399453), wk = 0.0028329 k( 296) = ( 0.6270722 0.6270722 0.2458556), wk = 0.0028329 k( 297) = ( 0.6241170 0.6241170 0.2517660), wk = 0.0028329 k( 298) = ( 0.6211619 0.6211619 0.2576763), wk = 0.0028329 k( 299) = ( 0.6182067 0.6182067 0.2635866), wk = 0.0028329 k( 300) = ( 0.6152515 0.6152515 0.2694970), wk = 0.0028329 k( 301) = ( 0.6122964 0.6122964 0.2754073), wk = 0.0028329 k( 302) = ( 0.6093412 0.6093412 0.2813176), wk = 0.0028329 k( 303) = ( 0.6063860 0.6063860 0.2872280), wk = 0.0028329 k( 304) = ( 0.6034308 0.6034308 0.2931383), wk = 0.0028329 k( 305) = ( 0.6004757 0.6004757 0.2990486), wk = 0.0028329 k( 306) = ( 0.5975205 0.5975205 0.3049590), wk = 0.0028329 k( 307) = ( 0.5945653 0.5945653 0.3108693), wk = 0.0028329 k( 308) = ( 0.5916102 0.5916102 0.3167796), wk = 0.0028329 k( 309) = ( 0.5886550 0.5886550 0.3226900), wk = 0.0028329 k( 310) = ( 0.5856999 0.5856999 0.3286003), wk = 0.0028329 k( 311) = ( 0.5827447 0.5827447 0.3345106), wk = 0.0028329 k( 312) = ( 0.5797895 0.5797895 0.3404210), wk = 0.0028329 k( 313) = ( 0.5768344 0.5768344 0.3463313), wk = 0.0028329 k( 314) = ( 0.5738792 0.5738792 0.3522416), wk = 0.0028329 k( 315) = ( 0.5709240 0.5709240 0.3581520), wk = 0.0028329 k( 316) = ( 0.5679688 0.5679688 0.3640623), wk = 0.0028329 k( 317) = ( 0.5650137 0.5650137 0.3699726), wk = 0.0028329 k( 318) = ( 0.5620585 0.5620585 0.3758830), wk = 0.0028329 k( 319) = ( 0.5591033 0.5591033 0.3817933), wk = 0.0028329 k( 320) = ( 0.5561482 0.5561482 0.3877037), wk = 0.0028329 k( 321) = ( 0.5531930 0.5531930 0.3936140), wk = 0.0028329 k( 322) = ( 0.5502378 0.5502378 0.3995243), wk = 0.0028329 k( 323) = ( 0.5472827 0.5472827 0.4054347), wk = 0.0028329 k( 324) = ( 0.5443275 0.5443275 0.4113450), wk = 0.0028329 k( 325) = ( 0.5413723 0.5413723 0.4172553), wk = 0.0028329 k( 326) = ( 0.5384172 0.5384172 0.4231657), wk = 0.0028329 k( 327) = ( 0.5354620 0.5354620 0.4290760), wk = 0.0028329 k( 328) = ( 0.5325068 0.5325068 0.4349863), wk = 0.0028329 k( 329) = ( 0.5295517 0.5295517 0.4408967), wk = 0.0028329 k( 330) = ( 0.5265965 0.5265965 0.4468070), wk = 0.0028329 k( 331) = ( 0.5236413 0.5236413 0.4527173), wk = 0.0028329 k( 332) = ( 0.5206862 0.5206862 0.4586277), wk = 0.0028329 k( 333) = ( 0.5177310 0.5177310 0.4645380), wk = 0.0028329 k( 334) = ( 0.5147758 0.5147758 0.4704483), wk = 0.0028329 k( 335) = ( 0.5118207 0.5118207 0.4763587), wk = 0.0028329 k( 336) = ( 0.5088655 0.5088655 0.4822690), wk = 0.0028329 k( 337) = ( 0.5059103 0.5059103 0.4881793), wk = 0.0028329 k( 338) = ( 0.5029552 0.5029552 0.4940897), wk = 0.0028329 k( 339) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028329 k( 340) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028329 k( 341) = ( 0.5250053 0.0259589 0.0259589), wk = 0.0028329 k( 342) = ( 0.5500105 0.0519178 0.0519178), wk = 0.0028329 k( 343) = ( 0.5750158 0.0778767 0.0778767), wk = 0.0028329 k( 344) = ( 0.6000210 0.1038356 0.1038356), wk = 0.0028329 k( 345) = ( 0.6250263 0.1297945 0.1297945), wk = 0.0028329 k( 346) = ( 0.6500316 0.1557535 0.1557535), wk = 0.0028329 k( 347) = ( 0.6750368 0.1817124 0.1817124), wk = 0.0028329 k( 348) = ( 0.7000421 0.2076713 0.2076713), wk = 0.0028329 k( 349) = ( 0.7250473 0.2336302 0.2336302), wk = 0.0028329 k( 350) = ( 0.7500526 0.2595891 0.2595891), wk = 0.0028329 k( 351) = ( 0.7750579 0.2855480 0.2855480), wk = 0.0028329 k( 352) = ( 0.8000631 0.3115069 0.3115069), wk = 0.0028329 k( 353) = ( 0.8250684 0.3374658 0.3374658), wk = 0.0028329 Dense grid: 53139 G-vectors FFT dimensions: ( 96, 96, 96) Smooth grid: 23975 G-vectors FFT dimensions: ( 75, 75, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 178, 50) NL pseudopotentials 0.20 Mb ( 89, 150) Each V/rho on FFT grid 0.42 Mb ( 27648) Each G-vector array 0.01 Mb ( 1477) G-vector shells 0.01 Mb ( 1222) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.54 Mb ( 178, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.23 Mb ( 150, 2, 50) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Nb2CS2.save/charge-density.dat Starting wfc are 76 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.2 secs Computing kpt #: 2 total cpu time spent up to now is 6.2 secs Computing kpt #: 3 total cpu time spent up to now is 7.3 secs Computing kpt #: 4 total cpu time spent up to now is 8.4 secs Computing kpt #: 5 total cpu time spent up to now is 9.4 secs Computing kpt #: 6 total cpu time spent up to now is 10.5 secs Computing kpt #: 7 total cpu time spent up to now is 11.5 secs Computing kpt #: 8 total cpu time spent up to now is 12.5 secs Computing kpt #: 9 total cpu time spent up to now is 13.6 secs Computing kpt #: 10 total cpu time spent up to now is 14.6 secs Computing kpt #: 11 total cpu time spent up to now is 15.6 secs Computing kpt #: 12 total cpu time spent up to now is 16.6 secs Computing kpt #: 13 total cpu time spent up to now is 17.6 secs Computing kpt #: 14 total cpu time spent up to now is 18.6 secs Computing kpt #: 15 total cpu time spent up to now is 19.7 secs Computing kpt #: 16 total cpu time spent up to now is 20.7 secs Computing kpt #: 17 total cpu time spent up to now is 21.7 secs Computing kpt #: 18 total cpu time spent up to now is 22.8 secs Computing kpt #: 19 total cpu time spent up to now is 23.8 secs Computing kpt #: 20 total cpu time spent up to now is 24.9 secs Computing kpt #: 21 total cpu time spent up to now is 26.1 secs Computing kpt #: 22 total cpu time spent up to now is 27.3 secs Computing kpt #: 23 total cpu time spent up to now is 28.5 secs Computing kpt #: 24 total cpu time spent up to now is 29.6 secs Computing kpt #: 25 total cpu time spent up to now is 30.6 secs Computing kpt #: 26 total cpu time spent up to now is 31.8 secs Computing kpt #: 27 total cpu time spent up to now is 33.1 secs Computing kpt #: 28 total cpu time spent up to now is 34.3 secs Computing kpt #: 29 total cpu time spent up to now is 35.5 secs Computing kpt #: 30 total cpu time spent up to now is 36.7 secs Computing kpt #: 31 total cpu time spent up to now is 38.0 secs Computing kpt #: 32 total cpu time spent up to now is 39.3 secs Computing kpt #: 33 total cpu time spent up to now is 40.5 secs Computing kpt #: 34 total cpu time spent up to now is 41.8 secs Computing kpt #: 35 total cpu time spent up to now is 43.0 secs Computing kpt #: 36 total cpu time spent up to now is 44.3 secs Computing kpt #: 37 total cpu time spent up to now is 45.5 secs Computing kpt #: 38 total cpu time spent up to now is 46.8 secs Computing kpt #: 39 total cpu time spent up to now is 48.0 secs Computing kpt #: 40 total cpu time spent up to now is 49.3 secs Computing kpt #: 41 total cpu time spent up to now is 50.5 secs Computing kpt #: 42 total cpu time spent up to now is 51.8 secs Computing kpt #: 43 total cpu time spent up to now is 53.0 secs Computing kpt #: 44 total cpu time spent up to now is 54.3 secs Computing kpt #: 45 total cpu time spent up to now is 55.6 secs Computing kpt #: 46 total cpu time spent up to now is 56.8 secs Computing kpt #: 47 total cpu time spent up to now is 58.1 secs Computing kpt #: 48 total cpu time spent up to now is 59.4 secs Computing kpt #: 49 total cpu time spent up to now is 60.6 secs Computing kpt #: 50 total cpu time spent up to now is 61.9 secs Computing kpt #: 51 total cpu time spent up to now is 63.2 secs Computing kpt #: 52 total cpu time spent up to now is 64.5 secs Computing kpt #: 53 total cpu time spent up to now is 65.7 secs Computing kpt #: 54 total cpu time spent up to now is 67.0 secs Computing kpt #: 55 total cpu time spent up to now is 68.3 secs Computing kpt #: 56 total cpu time spent up to now is 69.6 secs Computing kpt #: 57 total cpu time spent up to now is 70.9 secs Computing kpt #: 58 total cpu time spent up to now is 72.1 secs Computing kpt #: 59 total cpu time spent up to now is 73.4 secs Computing kpt #: 60 total cpu time spent up to now is 74.7 secs Computing kpt #: 61 total cpu time spent up to now is 76.0 secs Computing kpt #: 62 total cpu time spent up to now is 77.3 secs Computing kpt #: 63 total cpu time spent up to now is 78.4 secs Computing kpt #: 64 total cpu time spent up to now is 79.5 secs Computing kpt #: 65 total cpu time spent up to now is 80.5 secs Computing kpt #: 66 total cpu time spent up to now is 81.6 secs Computing kpt #: 67 total cpu time spent up to now is 82.7 secs Computing kpt #: 68 total cpu time spent up to now is 83.7 secs Computing kpt #: 69 total cpu time spent up to now is 84.8 secs Computing kpt #: 70 total cpu time spent up to now is 85.8 secs Computing kpt #: 71 total cpu time spent up to now is 86.8 secs Computing kpt #: 72 total cpu time spent up to now is 87.9 secs Computing kpt #: 73 total cpu time spent up to now is 88.9 secs Computing kpt #: 74 total cpu time spent up to now is 89.9 secs Computing kpt #: 75 total cpu time spent up to now is 91.0 secs Computing kpt #: 76 total cpu time spent up to now is 92.0 secs Computing kpt #: 77 total cpu time spent up to now is 93.0 secs Computing kpt #: 78 total cpu time spent up to now is 94.0 secs Computing kpt #: 79 total cpu time spent up to now is 95.0 secs Computing kpt #: 80 total cpu time spent up to now is 96.0 secs Computing kpt #: 81 total cpu time spent up to now is 97.0 secs Computing kpt #: 82 total cpu time spent up to now is 98.0 secs Computing kpt #: 83 total cpu time spent up to now is 99.0 secs Computing kpt #: 84 total cpu time spent up to now is 100.0 secs Computing kpt #: 85 total cpu time spent up to now is 101.0 secs Computing kpt #: 86 total cpu time spent up to now is 102.1 secs Computing kpt #: 87 total cpu time spent up to now is 103.1 secs Computing kpt #: 88 total cpu time spent up to now is 104.1 secs Computing kpt #: 89 total cpu time spent up to now is 105.2 secs Computing kpt #: 90 total cpu time spent up to now is 106.2 secs Computing kpt #: 91 total cpu time spent up to now is 107.3 secs Computing kpt #: 92 total cpu time spent up to now is 108.3 secs Computing kpt #: 93 total cpu time spent up to now is 109.4 secs Computing kpt #: 94 total cpu time spent up to now is 110.4 secs Computing kpt #: 95 total cpu time spent up to now is 111.5 secs Computing kpt #: 96 total cpu time spent up to now is 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Computing kpt #: 112 total cpu time spent up to now is 129.1 secs Computing kpt #: 113 total cpu time spent up to now is 130.1 secs Computing kpt #: 114 total cpu time spent up to now is 131.1 secs Computing kpt #: 115 total cpu time spent up to now is 132.1 secs Computing kpt #: 116 total cpu time spent up to now is 133.1 secs Computing kpt #: 117 total cpu time spent up to now is 134.1 secs Computing kpt #: 118 total cpu time spent up to now is 135.1 secs Computing kpt #: 119 total cpu time spent up to now is 136.1 secs Computing kpt #: 120 total cpu time spent up to now is 137.1 secs Computing kpt #: 121 total cpu time spent up to now is 138.2 secs Computing kpt #: 122 total cpu time spent up to now is 139.2 secs Computing kpt #: 123 total cpu time spent up to now is 140.2 secs Computing kpt #: 124 total cpu time spent up to now is 141.3 secs Computing kpt #: 125 total cpu time spent up to now is 142.3 secs Computing kpt #: 126 total cpu time spent up to now is 143.4 secs Computing kpt #: 127 total cpu time spent up to now is 144.6 secs Computing kpt #: 128 total cpu time spent up to now is 145.9 secs Computing kpt #: 129 total cpu time spent up to now is 147.2 secs Computing kpt #: 130 total cpu time spent up to now is 148.4 secs Computing kpt #: 131 total cpu time spent up to now is 149.7 secs Computing kpt #: 132 total cpu time spent up to now is 150.9 secs Computing kpt #: 133 total cpu time spent up to now is 152.2 secs Computing kpt #: 134 total cpu time spent up to now is 153.4 secs Computing kpt #: 135 total cpu time spent up to now is 154.7 secs Computing kpt #: 136 total cpu time spent up to now is 155.9 secs Computing kpt #: 137 total cpu time spent up to now is 157.2 secs Computing kpt #: 138 total cpu time spent up to now is 158.4 secs Computing kpt #: 139 total cpu time spent up to now is 159.6 secs Computing kpt #: 140 total cpu time spent up to now is 160.9 secs Computing kpt #: 141 total cpu time spent up to now is 162.1 secs Computing kpt #: 142 total cpu time spent up to now is 163.3 secs Computing kpt #: 143 total cpu time spent up to now is 164.6 secs Computing kpt #: 144 total cpu time spent up to now is 165.6 secs Computing kpt #: 145 total cpu time spent up to now is 166.7 secs Computing kpt #: 146 total cpu time spent up to now is 167.7 secs Computing kpt #: 147 total cpu time spent up to now is 168.8 secs Computing kpt #: 148 total cpu time spent up to now is 169.8 secs Computing kpt #: 149 total cpu time spent up to now is 170.9 secs Computing kpt #: 150 total cpu time spent up to now is 172.0 secs Computing kpt #: 151 total cpu time spent up to now is 173.0 secs Computing kpt #: 152 total cpu time spent up to now is 174.1 secs Computing kpt #: 153 total cpu time spent up to now is 175.1 secs Computing kpt #: 154 total cpu time spent up to now is 176.3 secs Computing kpt #: 155 total cpu time spent up to now is 177.6 secs Computing kpt #: 156 total cpu time spent up to now is 179.0 secs Computing kpt #: 157 total cpu time spent up to now is 180.2 secs Computing kpt #: 158 total cpu time spent up to now is 181.5 secs Computing kpt #: 159 total cpu time spent up to now is 182.5 secs Computing kpt #: 160 total cpu time spent up to now is 183.6 secs Computing kpt #: 161 total cpu time spent up to now is 184.6 secs Computing kpt #: 162 total cpu time spent up to now is 185.7 secs Computing kpt #: 163 total cpu time spent up to now is 186.8 secs Computing kpt #: 164 total cpu time spent up to now is 187.8 secs Computing kpt #: 165 total cpu time spent up to now is 188.8 secs Computing kpt #: 166 total cpu time spent up to now is 189.9 secs Computing kpt #: 167 total cpu time spent up to now is 190.9 secs Computing kpt #: 168 total cpu time spent up to now is 192.0 secs Computing kpt #: 169 total cpu time spent up to now is 193.1 secs Computing kpt #: 170 total cpu time spent up to now is 194.1 secs Computing kpt #: 171 total cpu time spent up to now is 195.1 secs Computing kpt #: 172 total cpu time spent up to now is 196.2 secs Computing kpt #: 173 total cpu time spent up to now is 197.2 secs Computing kpt #: 174 total cpu time spent up to now is 198.3 secs Computing kpt #: 175 total cpu time spent up to now is 199.4 secs Computing kpt #: 176 total cpu time spent up to now is 200.4 secs Computing kpt #: 177 total cpu time spent up to now is 201.6 secs Computing kpt #: 178 total cpu time spent up to now is 202.9 secs Computing kpt #: 179 total cpu time spent up to now is 204.1 secs Computing kpt #: 180 total cpu time spent up to now is 205.2 secs Computing kpt #: 181 total cpu time spent up to now is 206.2 secs Computing kpt #: 182 total cpu time spent up to now is 207.2 secs Computing kpt #: 183 total cpu time spent up to now is 208.3 secs Computing kpt #: 184 total cpu time spent up to now is 209.3 secs Computing kpt #: 185 total cpu time spent up to now is 210.3 secs Computing kpt #: 186 total cpu time spent up to now is 211.3 secs Computing kpt #: 187 total cpu time spent up to now is 212.4 secs Computing kpt #: 188 total cpu time spent up to now is 213.4 secs Computing kpt #: 189 total cpu time spent up to now is 214.5 secs Computing kpt #: 190 total cpu time spent up to now is 215.7 secs Computing kpt #: 191 total cpu time spent up to now is 216.9 secs Computing kpt #: 192 total cpu time spent up to now is 218.1 secs Computing kpt #: 193 total cpu time spent up to now is 219.4 secs Computing kpt #: 194 total cpu time spent up to now is 220.6 secs Computing kpt #: 195 total cpu time spent up to now is 221.8 secs Computing kpt #: 196 total cpu time spent up to now is 223.1 secs Computing kpt #: 197 total cpu time spent up to now is 224.3 secs Computing kpt #: 198 total cpu time spent up to now is 225.6 secs Computing kpt #: 199 total cpu time spent up to now is 226.8 secs Computing kpt #: 200 total cpu time spent up to now is 228.1 secs Computing kpt #: 201 total cpu time spent up to now is 229.4 secs Computing kpt #: 202 total cpu time spent up to now is 230.7 secs Computing kpt #: 203 total cpu time spent up to now is 232.0 secs Computing kpt #: 204 total cpu time spent up to now is 233.2 secs Computing kpt #: 205 total cpu time spent up to now is 234.5 secs Computing kpt #: 206 total cpu time spent up to now is 235.8 secs Computing kpt #: 207 total cpu time spent up to now is 237.0 secs Computing kpt #: 208 total cpu time spent up to now is 238.1 secs Computing kpt #: 209 total cpu time spent up to now is 239.1 secs Computing kpt #: 210 total cpu time spent up to now is 240.2 secs Computing kpt #: 211 total cpu time spent up to now is 241.2 secs Computing kpt #: 212 total cpu time spent up to now is 242.2 secs Computing kpt #: 213 total cpu time spent up to now is 243.3 secs Computing kpt #: 214 total cpu time spent up to now is 244.3 secs Computing kpt #: 215 total cpu time spent up to now is 245.3 secs Computing kpt #: 216 total cpu time spent up to now is 246.4 secs Computing kpt #: 217 total cpu time spent up to now is 247.4 secs Computing kpt #: 218 total cpu time spent up to now is 248.4 secs Computing kpt #: 219 total cpu time spent up to now is 249.5 secs Computing kpt #: 220 total cpu time spent up to now is 250.5 secs Computing kpt #: 221 total cpu time spent up to now is 251.5 secs Computing kpt #: 222 total cpu time spent up to now is 252.6 secs Computing kpt #: 223 total cpu time spent up to now is 253.6 secs Computing kpt #: 224 total cpu time spent up to now is 254.6 secs Computing kpt #: 225 total cpu time spent up to now is 255.8 secs Computing kpt #: 226 total cpu time spent up to now is 256.8 secs Computing kpt #: 227 total cpu time spent up to now is 257.9 secs Computing kpt #: 228 total cpu time spent up to now is 259.1 secs Computing kpt #: 229 total cpu time spent up to now is 260.1 secs Computing kpt #: 230 total cpu time spent up to now is 261.1 secs Computing kpt #: 231 total cpu time spent up to now is 262.2 secs Computing kpt #: 232 total cpu time spent up to now is 263.2 secs Computing kpt #: 233 total cpu time spent up to now is 264.2 secs Computing kpt #: 234 total cpu time spent up to now is 265.3 secs Computing kpt #: 235 total cpu time spent up to now is 266.3 secs Computing kpt #: 236 total cpu time spent up to now is 267.3 secs Computing kpt #: 237 total cpu time spent up to now is 268.3 secs Computing kpt #: 238 total cpu time spent up to now is 269.3 secs Computing kpt #: 239 total cpu time spent up to now is 270.4 secs Computing kpt #: 240 total cpu time spent up to now is 271.4 secs Computing kpt #: 241 total cpu time spent up to now is 272.5 secs Computing kpt #: 242 total cpu time spent up to now is 273.5 secs Computing kpt #: 243 total cpu time spent up to now is 274.6 secs Computing kpt #: 244 total cpu time spent up to now is 275.7 secs Computing kpt #: 245 total cpu time spent up to now is 276.7 secs Computing kpt #: 246 total cpu time spent up to now is 277.8 secs Computing kpt #: 247 total cpu time spent up to now is 278.8 secs Computing kpt #: 248 total cpu time spent up to now is 279.9 secs Computing kpt #: 249 total cpu time spent up to now is 280.9 secs Computing kpt #: 250 total cpu time spent up to now is 281.9 secs Computing kpt #: 251 total cpu time spent up to now is 283.0 secs Computing kpt #: 252 total cpu time spent up to now is 284.0 secs Computing kpt #: 253 total cpu time spent up to now is 285.0 secs Computing kpt #: 254 total cpu time spent up to now is 286.1 secs Computing kpt #: 255 total cpu time spent up to now is 287.1 secs Computing kpt #: 256 total cpu time spent up to now is 288.2 secs Computing kpt #: 257 total cpu time spent up to now is 289.2 secs Computing kpt #: 258 total cpu time spent up to now is 290.2 secs Computing kpt #: 259 total cpu time spent up to now is 291.3 secs Computing kpt #: 260 total cpu time spent up to now is 292.3 secs Computing kpt #: 261 total cpu time spent up to now is 293.3 secs Computing kpt #: 262 total cpu time spent up to now is 294.4 secs Computing kpt #: 263 total cpu time spent up to now is 295.5 secs Computing kpt #: 264 total cpu time spent up to now is 296.5 secs Computing kpt #: 265 total cpu time spent up to now is 297.6 secs Computing kpt #: 266 total cpu time spent up to now is 298.6 secs Computing kpt #: 267 total cpu time spent up to now is 299.7 secs Computing kpt #: 268 total cpu time spent up to now is 300.8 secs Computing kpt #: 269 total cpu time spent up to now is 301.9 secs Computing kpt #: 270 total cpu time spent up to now is 302.9 secs Computing kpt #: 271 total cpu time spent up to now is 304.0 secs Computing kpt #: 272 total cpu time spent up to now is 305.1 secs Computing kpt #: 273 total cpu time spent up to now is 306.1 secs Computing kpt #: 274 total cpu time spent up to now is 307.2 secs Computing kpt #: 275 total cpu time spent up to now is 308.2 secs Computing kpt #: 276 total cpu time spent up to now is 309.3 secs Computing kpt #: 277 total cpu time spent up to now is 310.3 secs Computing kpt #: 278 total cpu time spent up to now is 311.4 secs Computing kpt #: 279 total cpu time spent up to now is 312.6 secs Computing kpt #: 280 total cpu time spent up to now is 313.9 secs Computing kpt #: 281 total cpu time spent up to now is 315.2 secs Computing kpt #: 282 total cpu time spent up to now is 316.4 secs Computing kpt #: 283 total cpu time spent up to now is 317.7 secs Computing kpt #: 284 total cpu time spent up to now is 318.9 secs Computing kpt #: 285 total cpu time spent up to now is 320.0 secs Computing kpt #: 286 total cpu time spent up to now is 321.1 secs Computing kpt #: 287 total cpu time spent up to now is 322.4 secs Computing kpt #: 288 total cpu time spent up to now is 323.5 secs Computing kpt #: 289 total cpu time spent up to now is 324.7 secs Computing kpt #: 290 total cpu time spent up to now is 326.0 secs Computing kpt #: 291 total cpu time spent up to now is 327.1 secs Computing kpt #: 292 total cpu time spent up to now is 328.2 secs Computing kpt #: 293 total cpu time spent up to now is 329.2 secs Computing kpt #: 294 total cpu time spent up to now is 330.3 secs Computing kpt #: 295 total cpu time spent up to now is 331.4 secs Computing kpt #: 296 total cpu time spent up to now is 332.5 secs Computing kpt #: 297 total cpu time spent up to now is 333.6 secs Computing kpt #: 298 total cpu time spent up to now is 334.9 secs Computing kpt #: 299 total cpu time spent up to now is 336.1 secs Computing kpt #: 300 total cpu time spent up to now is 337.4 secs Computing kpt #: 301 total cpu time spent up to now is 338.6 secs Computing kpt #: 302 total cpu time spent up to now is 339.8 secs Computing kpt #: 303 total cpu time spent up to now is 341.1 secs Computing kpt #: 304 total cpu time spent up to now is 342.3 secs Computing kpt #: 305 total cpu time spent up to now is 343.5 secs Computing kpt #: 306 total cpu time spent up to now is 344.8 secs Computing kpt #: 307 total cpu time spent up to now is 346.1 secs Computing kpt #: 308 total cpu time spent up to now is 347.4 secs Computing kpt #: 309 total cpu time spent up to now is 348.7 secs Computing kpt #: 310 total cpu time spent up to now is 350.0 secs Computing kpt #: 311 total cpu time spent up to now is 351.0 secs Computing kpt #: 312 total cpu time spent up to now is 352.0 secs Computing kpt #: 313 total cpu time spent up to now is 353.1 secs Computing kpt #: 314 total cpu time spent up to now is 354.1 secs Computing kpt #: 315 total cpu time spent up to now is 355.1 secs Computing kpt #: 316 total cpu time spent up to now is 356.1 secs Computing kpt #: 317 total cpu time spent up to now is 357.2 secs Computing kpt #: 318 total cpu time spent up to now is 358.2 secs Computing kpt #: 319 total cpu time spent up to now is 359.2 secs Computing kpt #: 320 total cpu time spent up to now is 360.4 secs Computing kpt #: 321 total cpu time spent up to now is 361.5 secs Computing kpt #: 322 total cpu time spent up to now is 362.7 secs Computing kpt #: 323 total cpu time spent up to now is 363.9 secs Computing kpt #: 324 total cpu time spent up to now is 365.1 secs Computing kpt #: 325 total cpu time spent up to now is 366.2 secs Computing kpt #: 326 total cpu time spent up to now is 367.2 secs Computing kpt #: 327 total cpu time spent up to now is 368.3 secs Computing kpt #: 328 total cpu time spent up to now is 369.3 secs Computing kpt #: 329 total cpu time spent up to now is 370.3 secs Computing kpt #: 330 total cpu time spent up to now is 371.3 secs Computing kpt #: 331 total cpu time spent up to now is 372.4 secs Computing kpt #: 332 total cpu time spent up to now is 373.6 secs Computing kpt #: 333 total cpu time spent up to now is 374.7 secs Computing kpt #: 334 total cpu time spent up to now is 375.7 secs Computing kpt #: 335 total cpu time spent up to now is 376.8 secs Computing kpt #: 336 total cpu time spent up to now is 377.8 secs Computing kpt #: 337 total cpu time spent up to now is 378.9 secs Computing kpt #: 338 total cpu time spent up to now is 379.9 secs Computing kpt #: 339 total cpu time spent up to now is 381.2 secs Computing kpt #: 340 total cpu time spent up to now is 382.4 secs Computing kpt #: 341 total cpu time spent up to now is 383.7 secs Computing kpt #: 342 total cpu time spent up to now is 385.0 secs Computing kpt #: 343 total cpu time spent up to now is 386.3 secs Computing kpt #: 344 total cpu time spent up to now is 387.6 secs Computing kpt #: 345 total cpu time spent up to now is 388.8 secs Computing kpt #: 346 total cpu time spent up to now is 390.1 secs Computing kpt #: 347 total cpu time spent up to now is 391.4 secs Computing kpt #: 348 total cpu time spent up to now is 392.6 secs Computing kpt #: 349 total cpu time spent up to now is 393.9 secs Computing kpt #: 350 total cpu time spent up to now is 395.2 secs Computing kpt #: 351 total cpu time spent up to now is 396.4 secs Computing kpt #: 352 total cpu time spent up to now is 397.7 secs Computing kpt #: 353 total cpu time spent up to now is 398.9 secs ethr = 2.38E-08, avg # of iterations = 19.7 total cpu time spent up to now is 398.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2993 PWs) bands (ev): -42.9632 -42.9632 -42.7470 -42.7470 -20.6192 -20.6192 -20.1848 -20.1848 -18.6962 -18.6962 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.6521 -1.6521 -0.9122 -0.9122 1.1847 1.1847 5.7046 5.7046 6.7947 6.7947 6.8119 6.8119 8.5813 8.5813 10.3033 10.3033 10.3335 10.3335 10.9486 10.9486 10.9981 10.9981 11.4272 11.4272 12.3472 12.3472 12.4338 12.4338 12.8990 12.8990 14.4917 14.4917 14.5133 14.5133 k = 0.0089-0.0224-0.0133 ( 2993 PWs) bands (ev): -42.9631 -42.9631 -42.7470 -42.7470 -20.6193 -20.6193 -20.1851 -20.1851 -18.6962 -18.6962 -18.3053 -18.3053 -18.0818 -18.0818 -18.0253 -18.0253 -1.6507 -1.6507 -0.9114 -0.9114 1.1845 1.1845 5.7064 5.7064 6.7938 6.7938 6.8114 6.8114 8.5853 8.5853 10.2996 10.2996 10.3307 10.3307 10.9446 10.9446 10.9934 10.9934 11.4304 11.4304 12.3448 12.3448 12.4311 12.4311 12.9036 12.9036 14.4928 14.4928 14.5143 14.5143 k = 0.0179-0.0449-0.0265 ( 2994 PWs) bands (ev): -42.9629 -42.9629 -42.7470 -42.7470 -20.6193 -20.6193 -20.1858 -20.1858 -18.6963 -18.6963 -18.3064 -18.3064 -18.0825 -18.0825 -18.0252 -18.0252 -1.6467 -1.6467 -0.9093 -0.9093 1.1838 1.1838 5.7116 5.7116 6.7897 6.7897 6.8116 6.8116 8.5971 8.5971 10.2839 10.2839 10.3273 10.3273 10.9325 10.9325 10.9800 10.9800 11.4393 11.4393 12.3352 12.3352 12.4257 12.4257 12.9166 12.9166 14.4957 14.4957 14.5173 14.5173 k = 0.0268-0.0673-0.0398 ( 2993 PWs) bands (ev): -42.9625 -42.9625 -42.7470 -42.7470 -20.6195 -20.6195 -20.1870 -20.1870 -18.6963 -18.6963 -18.3082 -18.3082 -18.0836 -18.0836 -18.0251 -18.0251 -1.6401 -1.6401 -0.9058 -0.9058 1.1825 1.1825 5.7203 5.7203 6.7805 6.7805 6.8146 6.8146 8.6164 8.6164 10.2522 10.2522 10.3281 10.3281 10.9123 10.9123 10.9591 10.9591 11.4525 11.4525 12.3139 12.3139 12.4240 12.4240 12.9362 12.9362 14.4992 14.4992 14.5236 14.5236 k = 0.0357-0.0897-0.0531 ( 2987 PWs) bands (ev): -42.9619 -42.9619 -42.7469 -42.7469 -20.6197 -20.6197 -20.1887 -20.1887 -18.6964 -18.6964 -18.3107 -18.3107 -18.0853 -18.0853 -18.0250 -18.0250 -1.6307 -1.6307 -0.9009 -0.9009 1.1808 1.1808 5.7325 5.7325 6.7665 6.7665 6.8205 6.8205 8.6427 8.6427 10.2068 10.2068 10.3320 10.3320 10.8838 10.8838 10.9324 10.9324 11.4678 11.4678 12.2798 12.2798 12.4288 12.4288 12.9602 12.9602 14.5020 14.5020 14.5342 14.5342 k = 0.0446-0.1122-0.0664 ( 2983 PWs) bands (ev): -42.9612 -42.9612 -42.7469 -42.7469 -20.6199 -20.6199 -20.1908 -20.1908 -18.6965 -18.6965 -18.3139 -18.3139 -18.0875 -18.0875 -18.0248 -18.0248 -1.6188 -1.6188 -0.8945 -0.8945 1.1786 1.1786 5.7480 5.7480 6.7489 6.7489 6.8287 6.8287 8.6753 8.6753 10.1503 10.1503 10.3377 10.3377 10.8470 10.8470 10.9016 10.9016 11.4833 11.4833 12.2356 12.2356 12.4386 12.4386 12.9868 12.9868 14.5042 14.5042 14.5492 14.5492 k = 0.0536-0.1346-0.0796 ( 2982 PWs) bands (ev): -42.9603 -42.9603 -42.7468 -42.7468 -20.6202 -20.6202 -20.1934 -20.1934 -18.6966 -18.6966 -18.3177 -18.3177 -18.0902 -18.0902 -18.0245 -18.0245 -1.6043 -1.6043 -0.8869 -0.8869 1.1759 1.1759 5.7669 5.7669 6.7287 6.7287 6.8391 6.8391 8.7134 8.7134 10.0847 10.0847 10.3447 10.3447 10.8024 10.8024 10.8679 10.8679 11.4973 11.4973 12.1843 12.1843 12.4517 12.4517 13.0148 13.0148 14.5061 14.5061 14.5687 14.5687 k = 0.0625-0.1571-0.0929 ( 2980 PWs) bands (ev): -42.9594 -42.9594 -42.7468 -42.7468 -20.6206 -20.6206 -20.1965 -20.1965 -18.6968 -18.6968 -18.3222 -18.3222 -18.0933 -18.0933 -18.0242 -18.0242 -1.5872 -1.5872 -0.8779 -0.8779 1.1726 1.1726 5.7890 5.7890 6.7067 6.7067 6.8513 6.8513 8.7563 8.7563 10.0115 10.0115 10.3525 10.3525 10.7506 10.7506 10.8322 10.8322 11.5084 11.5084 12.1277 12.1277 12.4664 12.4664 13.0433 13.0433 14.5084 14.5084 14.5924 14.5924 k = 0.0714-0.1795-0.1062 ( 2978 PWs) bands (ev): -42.9582 -42.9582 -42.7468 -42.7468 -20.6210 -20.6210 -20.2001 -20.2001 -18.6969 -18.6969 -18.3272 -18.3272 -18.0970 -18.0970 -18.0239 -18.0239 -1.5676 -1.5676 -0.8675 -0.8675 1.1689 1.1689 5.8142 5.8142 6.6837 6.6837 6.8653 6.8653 8.8031 8.8031 9.9322 9.9322 10.3604 10.3604 10.6925 10.6925 10.7953 10.7953 11.5157 11.5157 12.0672 12.0672 12.4819 12.4819 13.0718 13.0718 14.5118 14.5118 14.6203 14.6203 k = 0.0804-0.2019-0.1194 ( 2972 PWs) bands (ev): -42.9569 -42.9569 -42.7467 -42.7467 -20.6214 -20.6214 -20.2040 -20.2040 -18.6971 -18.6971 -18.3328 -18.3328 -18.1012 -18.1012 -18.0235 -18.0235 -1.5456 -1.5456 -0.8559 -0.8559 1.1647 1.1647 5.8423 5.8423 6.6605 6.6605 6.8811 6.8811 8.8529 8.8529 9.8480 9.8480 10.3678 10.3678 10.6288 10.6288 10.7582 10.7582 11.5183 11.5183 12.0036 12.0036 12.4974 12.4974 13.0999 13.0999 14.5166 14.5166 14.6526 14.6526 k = 0.0893-0.2244-0.1327 ( 2976 PWs) bands (ev): -42.9555 -42.9555 -42.7468 -42.7468 -20.6220 -20.6220 -20.2085 -20.2085 -18.6974 -18.6974 -18.3389 -18.3389 -18.1059 -18.1059 -18.0231 -18.0231 -1.5211 -1.5211 -0.8431 -0.8431 1.1600 1.1600 5.8731 5.8731 6.6378 6.6378 6.8984 6.8984 8.9049 8.9049 9.7598 9.7598 10.3733 10.3733 10.5605 10.5605 10.7223 10.7223 11.5157 11.5157 11.9375 11.9375 12.5124 12.5124 13.1276 13.1276 14.5233 14.5233 14.6891 14.6891 k = 0.0982-0.2468-0.1460 ( 2973 PWs) bands (ev): -42.9540 -42.9540 -42.7467 -42.7467 -20.6225 -20.6225 -20.2133 -20.2133 -18.6976 -18.6976 -18.3455 -18.3455 -18.1110 -18.1110 -18.0227 -18.0227 -1.4944 -1.4944 -0.8290 -0.8290 1.1549 1.1549 5.9063 5.9063 6.6166 6.6166 6.9172 6.9172 8.9581 8.9581 9.6685 9.6685 10.3747 10.3747 10.4890 10.4890 10.6896 10.6896 11.5076 11.5076 11.8698 11.8698 12.5266 12.5266 13.1547 13.1547 14.5320 14.5320 14.7299 14.7299 k = 0.1071-0.2692-0.1592 ( 2972 PWs) bands (ev): -42.9523 -42.9523 -42.7467 -42.7467 -20.6231 -20.6231 -20.2186 -20.2186 -18.6978 -18.6978 -18.3524 -18.3524 -18.1166 -18.1166 -18.0223 -18.0223 -1.4653 -1.4653 -0.8138 -0.8138 1.1492 1.1492 5.9416 5.9416 6.5974 6.5974 6.9375 6.9375 9.0116 9.0116 9.5749 9.5749 10.3649 10.3649 10.4201 10.4201 10.6621 10.6621 11.4934 11.4934 11.8010 11.8010 12.5398 12.5398 13.1813 13.1813 14.5431 14.5431 14.7749 14.7749 k = 0.1161-0.2917-0.1725 ( 2968 PWs) bands (ev): -42.9504 -42.9504 -42.7467 -42.7467 -20.6238 -20.6238 -20.2243 -20.2243 -18.6981 -18.6981 -18.3598 -18.3598 -18.1226 -18.1226 -18.0220 -18.0220 -1.4341 -1.4341 -0.7975 -0.7975 1.1432 1.1432 5.9785 5.9785 6.5813 6.5813 6.9590 6.9590 9.0645 9.0645 9.4797 9.4797 10.3157 10.3157 10.3809 10.3809 10.6422 10.6422 11.4728 11.4728 11.7322 11.7322 12.5521 12.5521 13.2073 13.2073 14.5565 14.5565 14.8239 14.8239 k = 0.1250-0.3141-0.1858 ( 2972 PWs) bands (ev): -42.9485 -42.9485 -42.7468 -42.7468 -20.6245 -20.6245 -20.2304 -20.2304 -18.6984 -18.6984 -18.3675 -18.3675 -18.1289 -18.1289 -18.0217 -18.0217 -1.4008 -1.4008 -0.7802 -0.7802 1.1367 1.1367 6.0164 6.0164 6.5690 6.5690 6.9817 6.9817 9.1155 9.1155 9.3835 9.3835 10.2391 10.2391 10.3591 10.3591 10.6314 10.6314 11.4449 11.4449 11.6645 11.6645 12.5634 12.5634 13.2327 13.2327 14.5723 14.5723 14.8766 14.8766 k = 0.1339-0.3365-0.1991 ( 2972 PWs) bands (ev): -42.9465 -42.9465 -42.7469 -42.7469 -20.6253 -20.6253 -20.2369 -20.2369 -18.6987 -18.6987 -18.3755 -18.3755 -18.1356 -18.1356 -18.0214 -18.0214 -1.3654 -1.3654 -0.7619 -0.7619 1.1299 1.1299 6.0543 6.0543 6.5617 6.5617 7.0054 7.0054 9.1624 9.1624 9.2876 9.2876 10.1579 10.1579 10.3336 10.3336 10.6293 10.6293 11.4084 11.4084 11.5998 11.5998 12.5741 12.5741 13.2577 13.2577 14.5906 14.5906 14.9327 14.9327 k = 0.1429-0.3590-0.2123 ( 2974 PWs) bands (ev): -42.9443 -42.9443 -42.7469 -42.7469 -20.6261 -20.6261 -20.2438 -20.2438 -18.6990 -18.6990 -18.3838 -18.3838 -18.1426 -18.1426 -18.0213 -18.0213 -1.3282 -1.3282 -0.7427 -0.7427 1.1228 1.1228 6.0913 6.0913 6.5605 6.5605 7.0300 7.0300 9.1772 9.1772 9.2188 9.2188 10.0769 10.0769 10.3031 10.3031 10.6343 10.6343 11.3621 11.3621 11.5400 11.5400 12.5843 12.5843 13.2822 13.2822 14.6111 14.6111 14.9919 14.9919 k = 0.1518-0.3814-0.2256 ( 2974 PWs) bands (ev): -42.9421 -42.9421 -42.7470 -42.7470 -20.6270 -20.6270 -20.2510 -20.2510 -18.6993 -18.6993 -18.3923 -18.3923 -18.1499 -18.1499 -18.0213 -18.0213 -1.2892 -1.2892 -0.7226 -0.7226 1.1154 1.1154 6.1262 6.1262 6.5667 6.5667 7.0554 7.0554 9.0879 9.0879 9.2470 9.2470 9.9988 9.9988 10.2694 10.2694 10.6444 10.6444 11.3056 11.3056 11.4862 11.4862 12.5944 12.5944 13.3064 13.3064 14.6338 14.6338 15.0535 15.0535 k = 0.1607-0.4038-0.2389 ( 2971 PWs) bands (ev): -42.9397 -42.9397 -42.7470 -42.7470 -20.6278 -20.6278 -20.2585 -20.2585 -18.6997 -18.6997 -18.4010 -18.4010 -18.1574 -18.1574 -18.0213 -18.0213 -1.2484 -1.2484 -0.7017 -0.7017 1.1078 1.1078 6.1576 6.1576 6.5817 6.5817 7.0813 7.0813 8.9916 8.9916 9.2719 9.2719 9.9272 9.9272 10.2339 10.2339 10.6579 10.6579 11.2406 11.2406 11.4375 11.4375 12.6047 12.6047 13.3305 13.3305 14.6583 14.6583 15.1168 15.1168 k = 0.1696-0.4263-0.2521 ( 2971 PWs) bands (ev): -42.9372 -42.9372 -42.7471 -42.7471 -20.6288 -20.6288 -20.2664 -20.2664 -18.7000 -18.7000 -18.4098 -18.4098 -18.1651 -18.1651 -18.0215 -18.0215 -1.2061 -1.2061 -0.6802 -0.6802 1.1001 1.1001 6.1847 6.1847 6.6062 6.6062 7.1076 7.1076 8.8954 8.8954 9.2822 9.2822 9.8664 9.8664 10.1979 10.1979 10.6734 10.6734 11.1695 11.1695 11.3920 11.3920 12.6157 12.6157 13.3545 13.3545 14.6845 14.6845 15.1789 15.1789 k = 0.1786-0.4487-0.2654 ( 2974 PWs) bands (ev): -42.9347 -42.9347 -42.7473 -42.7473 -20.6297 -20.6297 -20.2745 -20.2745 -18.7004 -18.7004 -18.4188 -18.4188 -18.1729 -18.1729 -18.0219 -18.0219 -1.1624 -1.1624 -0.6581 -0.6581 1.0924 1.0924 6.2072 6.2072 6.6404 6.6404 7.1341 7.1341 8.8000 8.8000 9.2730 9.2730 9.8211 9.8211 10.1624 10.1624 10.6900 10.6900 11.0950 11.0950 11.3481 11.3481 12.6278 12.6278 13.3787 13.3787 14.7120 14.7120 15.2228 15.2228 k = 0.1875-0.4712-0.2787 ( 2975 PWs) bands (ev): -42.9320 -42.9320 -42.7475 -42.7475 -20.6307 -20.6307 -20.2830 -20.2830 -18.7008 -18.7008 -18.4279 -18.4279 -18.1809 -18.1809 -18.0223 -18.0223 -1.1173 -1.1173 -0.6355 -0.6355 1.0848 1.0848 6.2257 6.2257 6.6838 6.6838 7.1607 7.1607 8.7057 8.7057 9.2415 9.2415 9.7937 9.7937 10.1280 10.1280 10.7069 10.7069 11.0189 11.0189 11.3048 11.3048 12.6412 12.6412 13.4034 13.4034 14.7406 14.7406 15.2371 15.2371 k = 0.1964-0.4936-0.2920 ( 2973 PWs) bands (ev): -42.9292 -42.9292 -42.7476 -42.7476 -20.6317 -20.6317 -20.2917 -20.2917 -18.7013 -18.7013 -18.4371 -18.4371 -18.1889 -18.1889 -18.0229 -18.0229 -1.0711 -1.0711 -0.6125 -0.6125 1.0774 1.0774 6.2408 6.2408 6.7351 6.7351 7.1871 7.1871 8.6128 8.6128 9.1895 9.1895 9.7821 9.7821 10.0952 10.0952 10.7233 10.7233 10.9432 10.9432 11.2615 11.2615 12.6563 12.6563 13.4286 13.4286 14.7698 14.7698 15.2457 15.2457 k = 0.2054-0.5160-0.3052 ( 2973 PWs) bands (ev): -42.9263 -42.9263 -42.7478 -42.7478 -20.6327 -20.6327 -20.3006 -20.3006 -18.7017 -18.7017 -18.4462 -18.4462 -18.1969 -18.1969 -18.0237 -18.0237 -1.0239 -1.0239 -0.5892 -0.5892 1.0704 1.0704 6.2536 6.2536 6.7932 6.7932 7.2132 7.2132 8.5216 8.5216 9.1220 9.1220 9.7810 9.7810 10.0645 10.0645 10.7376 10.7376 10.8702 10.8702 11.2181 11.2181 12.6736 12.6736 13.4548 13.4548 14.7992 14.7992 15.2542 15.2542 k = 0.2143-0.5385-0.3185 ( 2978 PWs) bands (ev): -42.9235 -42.9235 -42.7481 -42.7481 -20.6337 -20.6337 -20.3098 -20.3098 -18.7022 -18.7022 -18.4554 -18.4554 -18.2050 -18.2050 -18.0245 -18.0245 -0.9758 -0.9758 -0.5657 -0.5657 1.0639 1.0639 6.2650 6.2650 6.8566 6.8566 7.2388 7.2388 8.4322 8.4322 9.0443 9.0443 9.7846 9.7846 10.0360 10.0360 10.7422 10.7422 10.8086 10.8086 11.1744 11.1744 12.6932 12.6932 13.4820 13.4820 14.8285 14.8285 15.2635 15.2635 k = 0.2232-0.5609-0.3318 ( 2979 PWs) bands (ev): -42.9204 -42.9204 -42.7485 -42.7485 -20.6347 -20.6347 -20.3192 -20.3192 -18.7027 -18.7027 -18.4646 -18.4646 -18.2130 -18.2130 -18.0256 -18.0256 -0.9271 -0.9271 -0.5422 -0.5422 1.0581 1.0581 6.2755 6.2755 6.9245 6.9245 7.2638 7.2638 8.3451 8.3451 8.9605 8.9605 9.7882 9.7882 10.0101 10.0101 10.7059 10.7059 10.7905 10.7905 11.1306 11.1306 12.7154 12.7154 13.5105 13.5105 14.8574 14.8574 15.2737 15.2737 k = 0.2321-0.5833-0.3450 ( 2984 PWs) bands (ev): -42.9175 -42.9175 -42.7488 -42.7488 -20.6358 -20.6358 -20.3287 -20.3287 -18.7032 -18.7032 -18.4737 -18.4737 -18.2209 -18.2209 -18.0267 -18.0267 -0.8778 -0.8778 -0.5187 -0.5187 1.0531 1.0531 6.2855 6.2855 6.9957 6.9957 7.2880 7.2880 8.2604 8.2604 8.8736 8.8736 9.7882 9.7882 9.9868 9.9868 10.6466 10.6466 10.7992 10.7992 11.0868 11.0868 12.7403 12.7403 13.5403 13.5403 14.8853 14.8853 15.2849 15.2849 k = 0.2411-0.6058-0.3583 ( 2985 PWs) bands (ev): -42.9144 -42.9144 -42.7491 -42.7491 -20.6367 -20.6367 -20.3385 -20.3385 -18.7038 -18.7038 -18.4827 -18.4827 -18.2287 -18.2287 -18.0280 -18.0280 -0.8282 -0.8282 -0.4954 -0.4954 1.0491 1.0491 6.2949 6.2949 7.0694 7.0694 7.3114 7.3114 8.1787 8.1787 8.7855 8.7855 9.7819 9.7819 9.9663 9.9663 10.5889 10.5889 10.8113 10.8113 11.0430 11.0430 12.7680 12.7680 13.5717 13.5717 14.9121 14.9121 15.2970 15.2970 k = 0.2500-0.6282-0.3716 ( 2985 PWs) bands (ev): -42.9113 -42.9113 -42.7495 -42.7495 -20.6377 -20.6377 -20.3483 -20.3483 -18.7044 -18.7044 -18.4916 -18.4916 -18.2364 -18.2364 -18.0294 -18.0294 -0.7785 -0.7785 -0.4724 -0.4724 1.0463 1.0463 6.3037 6.3037 7.1447 7.1447 7.3342 7.3342 8.1003 8.1003 8.6978 8.6978 9.7674 9.7674 9.9487 9.9487 10.5372 10.5372 10.8235 10.8235 10.9995 10.9995 12.7987 12.7987 13.6047 13.6047 14.9373 14.9373 15.3098 15.3098 k = 0.2589-0.6506-0.3849 ( 2982 PWs) bands (ev): -42.9080 -42.9080 -42.7499 -42.7499 -20.6387 -20.6387 -20.3582 -20.3582 -18.7051 -18.7051 -18.5004 -18.5004 -18.2439 -18.2439 -18.0309 -18.0309 -0.7290 -0.7290 -0.4497 -0.4497 1.0448 1.0448 6.3116 6.3116 7.2201 7.2201 7.3568 7.3568 8.0258 8.0258 8.6115 8.6115 9.7436 9.7436 9.9339 9.9339 10.4930 10.4930 10.8351 10.8351 10.9566 10.9566 12.8322 12.8322 13.6394 13.6394 14.9608 14.9608 15.3233 15.3233 k = 0.2679-0.6731-0.3981 ( 2985 PWs) bands (ev): -42.9048 -42.9048 -42.7504 -42.7504 -20.6395 -20.6395 -20.3682 -20.3682 -18.7057 -18.7057 -18.5091 -18.5091 -18.2512 -18.2512 -18.0326 -18.0326 -0.6798 -0.6798 -0.4275 -0.4275 1.0449 1.0449 6.3180 6.3180 7.2924 7.2924 7.3818 7.3818 7.9558 7.9558 8.5275 8.5275 9.7102 9.7102 9.9220 9.9220 10.4564 10.4564 10.8460 10.8460 10.9143 10.9143 12.8686 12.8686 13.6755 13.6755 14.9823 14.9823 15.3370 15.3370 k = 0.2768-0.6955-0.4114 ( 2991 PWs) bands (ev): -42.9016 -42.9016 -42.7510 -42.7510 -20.6404 -20.6404 -20.3783 -20.3783 -18.7065 -18.7065 -18.5176 -18.5176 -18.2582 -18.2582 -18.0344 -18.0344 -0.6313 -0.6313 -0.4058 -0.4058 1.0467 1.0467 6.3222 6.3222 7.3508 7.3508 7.4189 7.4189 7.8912 7.8912 8.4468 8.4468 9.6677 9.6677 9.9127 9.9127 10.4270 10.4270 10.8555 10.8555 10.8736 10.8736 12.9076 12.9076 13.7132 13.7132 15.0018 15.0018 15.3502 15.3502 k = 0.2857-0.7180-0.4247 ( 2987 PWs) bands (ev): -42.8983 -42.8983 -42.7515 -42.7515 -20.6412 -20.6412 -20.3884 -20.3884 -18.7072 -18.7072 -18.5259 -18.5259 -18.2650 -18.2650 -18.0362 -18.0362 -0.5837 -0.5837 -0.3846 -0.3846 1.0504 1.0504 6.3236 6.3236 7.3837 7.3837 7.4786 7.4786 7.8329 7.8329 8.3701 8.3701 9.6174 9.6174 9.9061 9.9061 10.4036 10.4036 10.8315 10.8315 10.8669 10.8669 12.9490 12.9490 13.7523 13.7523 15.0194 15.0194 15.3612 15.3612 k = 0.2946-0.7404-0.4379 ( 2988 PWs) bands (ev): -42.8950 -42.8950 -42.7521 -42.7521 -20.6419 -20.6419 -20.3984 -20.3984 -18.7081 -18.7081 -18.5340 -18.5340 -18.2715 -18.2715 -18.0381 -18.0381 -0.5376 -0.5376 -0.3637 -0.3637 1.0561 1.0561 6.3214 6.3214 7.4031 7.4031 7.5469 7.5469 7.7827 7.7827 8.2988 8.2988 9.5608 9.5608 9.9020 9.9020 10.3847 10.3847 10.7927 10.7927 10.8759 10.8759 12.9928 12.9928 13.7925 13.7925 15.0350 15.0350 15.3658 15.3658 k = 0.3036-0.7628-0.4512 ( 2990 PWs) bands (ev): -42.8917 -42.8917 -42.7528 -42.7528 -20.6425 -20.6425 -20.4085 -20.4085 -18.7089 -18.7089 -18.5419 -18.5419 -18.2777 -18.2777 -18.0402 -18.0402 -0.4934 -0.4934 -0.3429 -0.3429 1.0639 1.0639 6.3147 6.3147 7.4174 7.4174 7.6103 7.6103 7.7444 7.7444 8.2345 8.2345 9.4996 9.4996 9.9002 9.9002 10.3689 10.3689 10.7551 10.7551 10.8848 10.8848 13.0385 13.0385 13.8338 13.8338 15.0488 15.0488 15.3590 15.3590 k = 0.3125-0.7853-0.4645 ( 2989 PWs) bands (ev): -42.8884 -42.8884 -42.7535 -42.7535 -20.6430 -20.6430 -20.4185 -20.4185 -18.7098 -18.7098 -18.5495 -18.5495 -18.2836 -18.2836 -18.0422 -18.0422 -0.4520 -0.4520 -0.3217 -0.3217 1.0739 1.0739 6.3028 6.3028 7.4288 7.4288 7.6484 7.6484 7.7339 7.7339 8.1799 8.1799 9.4352 9.4352 9.9005 9.9005 10.3549 10.3549 10.7192 10.7192 10.8937 10.8937 13.0860 13.0860 13.8757 13.8757 15.0612 15.0612 15.3435 15.3435 k = 0.3214-0.8077-0.4777 ( 2983 PWs) bands (ev): -42.8851 -42.8851 -42.7542 -42.7542 -20.6434 -20.6434 -20.4284 -20.4284 -18.7108 -18.7108 -18.5568 -18.5568 -18.2891 -18.2891 -18.0444 -18.0444 -0.4145 -0.4145 -0.2992 -0.2992 1.0860 1.0860 6.2851 6.2851 7.4381 7.4381 7.6440 7.6440 7.7628 7.7628 8.1404 8.1404 9.3688 9.3688 9.9027 9.9027 10.3419 10.3419 10.6852 10.6852 10.9026 10.9026 13.1348 13.1348 13.9182 13.9182 15.0724 15.0724 15.3239 15.3239 k = 0.3304-0.8301-0.4910 ( 2976 PWs) bands (ev): -42.8817 -42.8817 -42.7549 -42.7549 -20.6437 -20.6437 -20.4382 -20.4382 -18.7118 -18.7118 -18.5639 -18.5639 -18.2943 -18.2943 -18.0465 -18.0465 -0.3821 -0.3821 -0.2743 -0.2743 1.1004 1.1004 6.2616 6.2616 7.4455 7.4455 7.6294 7.6294 7.7908 7.7908 8.1236 8.1236 9.3015 9.3015 9.9064 9.9064 10.3290 10.3290 10.6533 10.6533 10.9117 10.9117 13.1847 13.1847 13.9608 13.9608 15.0827 15.0827 15.3027 15.3027 k = 0.3393-0.8526-0.5043 ( 2978 PWs) bands (ev): -42.8785 -42.8785 -42.7557 -42.7557 -20.6439 -20.6439 -20.4479 -20.4479 -18.7128 -18.7128 -18.5707 -18.5707 -18.2992 -18.2992 -18.0487 -18.0487 -0.3556 -0.3556 -0.2463 -0.2463 1.1168 1.1168 6.2321 6.2321 7.4514 7.4514 7.6185 7.6185 7.7976 7.7976 8.1351 8.1351 9.2342 9.2342 9.9113 9.9113 10.3157 10.3157 10.6237 10.6237 10.9212 10.9212 13.2352 13.2352 14.0033 14.0033 15.0924 15.0924 15.2808 15.2808 k = 0.3482-0.8750-0.5176 ( 2985 PWs) bands (ev): -42.8754 -42.8754 -42.7567 -42.7567 -20.6440 -20.6440 -20.4575 -20.4575 -18.7139 -18.7139 -18.5772 -18.5772 -18.3037 -18.3037 -18.0509 -18.0509 -0.3350 -0.3350 -0.2156 -0.2156 1.1352 1.1352 6.1972 6.1972 7.4560 7.4560 7.6125 7.6125 7.7857 7.7857 8.1704 8.1704 9.1675 9.1675 9.9172 9.9172 10.3019 10.3019 10.5966 10.5966 10.9311 10.9311 13.2860 13.2860 14.0453 14.0453 15.1018 15.1018 15.2586 15.2586 k = 0.3571-0.8974-0.5308 ( 2989 PWs) bands (ev): -42.8723 -42.8723 -42.7576 -42.7576 -20.6438 -20.6438 -20.4668 -20.4668 -18.7150 -18.7150 -18.5834 -18.5834 -18.3079 -18.3079 -18.0531 -18.0531 -0.3192 -0.3192 -0.1834 -0.1834 1.1555 1.1555 6.1575 6.1575 7.4594 7.4594 7.6095 7.6095 7.7661 7.7661 8.2189 8.2189 9.1020 9.1020 9.9238 9.9238 10.2874 10.2874 10.5720 10.5720 10.9416 10.9416 13.3367 13.3367 14.0864 14.0864 15.1113 15.1113 15.2365 15.2365 k = 0.3661-0.9199-0.5441 ( 2994 PWs) bands (ev): -42.8693 -42.8693 -42.7586 -42.7586 -20.6436 -20.6436 -20.4760 -20.4760 -18.7161 -18.7161 -18.5892 -18.5892 -18.3117 -18.3117 -18.0553 -18.0553 -0.3069 -0.3069 -0.1507 -0.1507 1.1773 1.1773 6.1140 6.1140 7.4618 7.4618 7.6051 7.6051 7.7498 7.7498 8.2727 8.2727 9.0383 9.0383 9.9308 9.9308 10.2722 10.2722 10.5501 10.5501 10.9526 10.9526 13.3870 13.3870 14.1264 14.1264 15.1210 15.1210 15.2148 15.2148 k = 0.3750-0.9423-0.5574 ( 2994 PWs) bands (ev): -42.8664 -42.8664 -42.7596 -42.7596 -20.6432 -20.6432 -20.4849 -20.4849 -18.7172 -18.7172 -18.5947 -18.5947 -18.3153 -18.3153 -18.0574 -18.0574 -0.2973 -0.2973 -0.1186 -0.1186 1.2004 1.2004 6.0676 6.0676 7.4633 7.4633 7.5945 7.5945 7.7450 7.7450 8.3268 8.3268 8.9769 8.9769 9.9379 9.9379 10.2566 10.2566 10.5309 10.5309 10.9642 10.9642 13.4364 13.4364 14.1649 14.1649 15.1311 15.1311 15.1940 15.1940 k = 0.3839-0.9647-0.5706 ( 3000 PWs) bands (ev): -42.8635 -42.8635 -42.7606 -42.7606 -20.6426 -20.6426 -20.4935 -20.4935 -18.7183 -18.7183 -18.5999 -18.5999 -18.3184 -18.3184 -18.0595 -18.0595 -0.2899 -0.2899 -0.0876 -0.0876 1.2244 1.2244 6.0195 6.0195 7.4641 7.4641 7.5761 7.5761 7.7541 7.7541 8.3787 8.3787 8.9183 8.9183 9.9450 9.9450 10.2406 10.2406 10.5144 10.5144 10.9762 10.9762 13.4845 13.4845 14.2016 14.2016 15.1404 15.1404 15.1757 15.1757 k = 0.3929-0.9872-0.5839 ( 3003 PWs) bands (ev): -42.8608 -42.8608 -42.7616 -42.7616 -20.6418 -20.6418 -20.5018 -20.5018 -18.7194 -18.7194 -18.6047 -18.6047 -18.3213 -18.3213 -18.0615 -18.0615 -0.2840 -0.2840 -0.0581 -0.0581 1.2490 1.2490 5.9705 5.9705 7.4641 7.4641 7.5526 7.5526 7.7745 7.7745 8.4264 8.4264 8.8631 8.8631 9.9518 9.9518 10.2245 10.2245 10.5005 10.5005 10.9886 10.9886 13.5310 13.5310 14.2361 14.2361 15.1407 15.1407 15.1682 15.1682 k = 0.4018-1.0096-0.5972 ( 3002 PWs) bands (ev): -42.8581 -42.8581 -42.7626 -42.7626 -20.6409 -20.6409 -20.5099 -20.5099 -18.7205 -18.7205 -18.6092 -18.6092 -18.3238 -18.3238 -18.0634 -18.0634 -0.2795 -0.2795 -0.0305 -0.0305 1.2738 1.2738 5.9218 5.9218 7.4636 7.4636 7.5276 7.5276 7.8023 7.8023 8.4682 8.4682 8.8122 8.8122 9.9582 9.9582 10.2087 10.2087 10.4892 10.4892 11.0013 11.0013 13.5755 13.5755 14.2684 14.2684 15.1266 15.1266 15.1777 15.1777 k = 0.4107-1.0321-0.6105 ( 3000 PWs) bands (ev): -42.8555 -42.8555 -42.7636 -42.7636 -20.6398 -20.6398 -20.5175 -20.5175 -18.7215 -18.7215 -18.6132 -18.6132 -18.3261 -18.3261 -18.0652 -18.0652 -0.2761 -0.2761 -0.0049 -0.0049 1.2985 1.2985 5.8742 5.8742 7.4627 7.4627 7.5030 7.5030 7.8350 7.8350 8.5022 8.5022 8.7671 8.7671 9.9640 9.9640 10.1934 10.1934 10.4804 10.4804 11.0140 11.0140 13.6177 13.6177 14.2980 14.2980 15.1094 15.1094 15.1928 15.1928 k = 0.4196-1.0545-0.6237 ( 2998 PWs) bands (ev): -42.8531 -42.8531 -42.7645 -42.7645 -20.6386 -20.6386 -20.5247 -20.5247 -18.7225 -18.7225 -18.6169 -18.6169 -18.3281 -18.3281 -18.0669 -18.0669 -0.2735 -0.2735 0.0185 0.0185 1.3224 1.3224 5.8286 5.8286 7.4614 7.4614 7.4800 7.4800 7.8707 7.8707 8.5257 8.5257 8.7304 8.7304 9.9692 9.9692 10.1789 10.1789 10.4739 10.4739 11.0265 11.0265 13.6570 13.6570 14.3248 14.3248 15.0926 15.0926 15.2106 15.2106 k = 0.4286-1.0769-0.6370 ( 2997 PWs) bands (ev): -42.8509 -42.8509 -42.7655 -42.7655 -20.6373 -20.6373 -20.5315 -20.5315 -18.7234 -18.7234 -18.6202 -18.6202 -18.3298 -18.3298 -18.0685 -18.0685 -0.2717 -0.2717 0.0397 0.0397 1.3453 1.3453 5.7857 5.7857 7.4571 7.4571 7.4619 7.4619 7.9081 7.9081 8.5345 8.5345 8.7061 8.7061 9.9737 9.9737 10.1654 10.1654 10.4694 10.4694 11.0386 11.0386 13.6934 13.6934 14.3488 14.3488 15.0769 15.0769 15.2304 15.2304 k = 0.4375-1.0994-0.6503 ( 2995 PWs) bands (ev): -42.8489 -42.8489 -42.7663 -42.7663 -20.6358 -20.6358 -20.5378 -20.5378 -18.7243 -18.7243 -18.6231 -18.6231 -18.3313 -18.3313 -18.0699 -18.0699 -0.2704 -0.2704 0.0586 0.0586 1.3667 1.3667 5.7461 5.7461 7.4396 7.4396 7.4591 7.4591 7.9462 7.9462 8.5266 8.5266 8.6963 8.6963 9.9774 9.9774 10.1531 10.1531 10.4667 10.4667 11.0501 11.0501 13.7262 13.7262 14.3699 14.3699 15.0624 15.0624 15.2521 15.2521 k = 0.4464-1.1218-0.6635 ( 2995 PWs) bands (ev): -42.8470 -42.8470 -42.7671 -42.7671 -20.6344 -20.6344 -20.5436 -20.5436 -18.7250 -18.7250 -18.6257 -18.6257 -18.3326 -18.3326 -18.0712 -18.0712 -0.2695 -0.2695 0.0750 0.0750 1.3862 1.3862 5.7106 5.7106 7.4234 7.4234 7.4576 7.4576 7.9840 7.9840 8.5062 8.5062 8.6974 8.6974 9.9804 9.9804 10.1422 10.1422 10.4655 10.4655 11.0607 11.0607 13.7554 13.7554 14.3879 14.3879 15.0495 15.0495 15.2752 15.2752 k = 0.4554-1.1442-0.6768 ( 2998 PWs) bands (ev): -42.8455 -42.8455 -42.7679 -42.7679 -20.6329 -20.6329 -20.5487 -20.5487 -18.7257 -18.7257 -18.6278 -18.6278 -18.3336 -18.3336 -18.0723 -18.0723 -0.2690 -0.2690 0.0890 0.0890 1.4034 1.4034 5.6796 5.6796 7.4096 7.4096 7.4562 7.4562 8.0205 8.0205 8.4802 8.4802 8.7029 8.7029 9.9828 9.9828 10.1328 10.1328 10.4653 10.4653 11.0701 11.0701 13.7806 13.7806 14.4031 14.4031 15.0383 15.0383 15.2996 15.2996 k = 0.4643-1.1667-0.6901 ( 3003 PWs) bands (ev): -42.8442 -42.8442 -42.7686 -42.7686 -20.6315 -20.6315 -20.5531 -20.5531 -18.7263 -18.7263 -18.6296 -18.6296 -18.3344 -18.3344 -18.0732 -18.0732 -0.2687 -0.2687 0.1005 0.1005 1.4180 1.4180 5.6536 5.6536 7.3984 7.3984 7.4550 7.4550 8.0546 8.0546 8.4532 8.4532 8.7091 8.7091 9.9845 9.9845 10.1252 10.1252 10.4659 10.4659 11.0782 11.0782 13.8016 13.8016 14.4153 14.4153 15.0289 15.0289 15.3245 15.3245 k = 0.4732-1.1891-0.7033 ( 3004 PWs) bands (ev): -42.8432 -42.8432 -42.7691 -42.7691 -20.6302 -20.6302 -20.5567 -20.5567 -18.7267 -18.7267 -18.6310 -18.6310 -18.3351 -18.3351 -18.0739 -18.0739 -0.2685 -0.2685 0.1095 0.1095 1.4297 1.4297 5.6330 5.6330 7.3896 7.3896 7.4540 7.4540 8.0849 8.0849 8.4280 8.4280 8.7143 8.7143 9.9857 9.9857 10.1192 10.1192 10.4668 10.4668 11.0847 11.0847 13.8181 13.8181 14.4248 14.4248 15.0214 15.0214 15.3490 15.3490 k = 0.4821-1.2115-0.7166 ( 2998 PWs) bands (ev): -42.8424 -42.8424 -42.7694 -42.7694 -20.6292 -20.6292 -20.5594 -20.5594 -18.7270 -18.7270 -18.6319 -18.6319 -18.3355 -18.3355 -18.0744 -18.0744 -0.2684 -0.2684 0.1160 0.1160 1.4382 1.4382 5.6180 5.6180 7.3834 7.3834 7.4533 7.4533 8.1096 8.1096 8.4071 8.4071 8.7181 8.7181 9.9864 9.9864 10.1149 10.1149 10.4677 10.4677 11.0894 11.0894 13.8300 13.8300 14.4315 14.4315 15.0161 15.0161 15.3715 15.3715 k = 0.4911-1.2340-0.7299 ( 2998 PWs) bands (ev): -42.8420 -42.8420 -42.7696 -42.7696 -20.6286 -20.6286 -20.5610 -20.5610 -18.7272 -18.7272 -18.6325 -18.6325 -18.3358 -18.3358 -18.0747 -18.0747 -0.2684 -0.2684 0.1198 0.1198 1.4434 1.4434 5.6090 5.6090 7.3797 7.3797 7.4528 7.4528 8.1261 8.1261 8.3928 8.3928 8.7203 8.7203 9.9869 9.9869 10.1124 10.1124 10.4683 10.4683 11.0923 11.0923 13.8372 13.8372 14.4355 14.4355 15.0128 15.0128 15.3887 15.3887 k = 0.5000-1.2564-0.7432 ( 3002 PWs) bands (ev): -42.8419 -42.8419 -42.7696 -42.7696 -20.6284 -20.6284 -20.5616 -20.5616 -18.7273 -18.7273 -18.6327 -18.6327 -18.3358 -18.3358 -18.0748 -18.0748 -0.2684 -0.2684 0.1211 0.1211 1.4451 1.4451 5.6059 5.6059 7.3785 7.3785 7.4527 7.4527 8.1320 8.1320 8.3877 8.3877 8.7210 8.7210 9.9870 9.9870 10.1115 10.1115 10.4685 10.4685 11.0933 11.0933 13.8396 13.8396 14.4368 14.4368 15.0117 15.0117 15.3956 15.3956 k = 0.5000-1.2564-0.7432 ( 3002 PWs) bands (ev): -42.8419 -42.8419 -42.7696 -42.7696 -20.6284 -20.6284 -20.5616 -20.5616 -18.7273 -18.7273 -18.6327 -18.6327 -18.3358 -18.3358 -18.0748 -18.0748 -0.2684 -0.2684 0.1211 0.1211 1.4451 1.4451 5.6059 5.6059 7.3785 7.3785 7.4527 7.4527 8.1320 8.1320 8.3877 8.3877 8.7210 8.7210 9.9870 9.9870 10.1115 10.1115 10.4685 10.4685 11.0933 11.0933 13.8396 13.8396 14.4368 14.4368 15.0117 15.0117 15.3956 15.3956 k = 0.5000-1.2425-0.7667 ( 3000 PWs) bands (ev): -42.8418 -42.8418 -42.7697 -42.7697 -20.6284 -20.6284 -20.5616 -20.5616 -18.7278 -18.7278 -18.6323 -18.6323 -18.3359 -18.3359 -18.0750 -18.0750 -0.2674 -0.2674 0.1214 0.1214 1.4445 1.4445 5.6078 5.6078 7.3594 7.3594 7.4732 7.4732 8.1329 8.1329 8.3877 8.3877 8.7193 8.7193 9.9837 9.9837 10.1087 10.1087 10.4676 10.4676 11.0940 11.0940 13.8388 13.8388 14.4348 14.4348 15.0112 15.0112 15.4018 15.4018 k = 0.5000-1.2286-0.7902 ( 2994 PWs) bands (ev): -42.8416 -42.8416 -42.7697 -42.7697 -20.6283 -20.6283 -20.5617 -20.5617 -18.7293 -18.7293 -18.6310 -18.6310 -18.3361 -18.3361 -18.0754 -18.0754 -0.2646 -0.2646 0.1224 0.1224 1.4428 1.4428 5.6135 5.6135 7.3247 7.3247 7.5123 7.5123 8.1354 8.1354 8.3879 8.3879 8.7144 8.7144 9.9738 9.9738 10.1005 10.1005 10.4647 10.4647 11.0961 11.0961 13.8363 13.8363 14.4289 14.4289 15.0100 15.0100 15.4199 15.4199 k = 0.5000-1.2147-0.8137 ( 2994 PWs) bands (ev): -42.8413 -42.8413 -42.7699 -42.7699 -20.6283 -20.6283 -20.5618 -20.5618 -18.7318 -18.7318 -18.6289 -18.6289 -18.3364 -18.3364 -18.0761 -18.0761 -0.2599 -0.2599 0.1241 0.1241 1.4399 1.4399 5.6230 5.6230 7.2881 7.2881 7.5561 7.5561 8.1396 8.1396 8.3880 8.3880 8.7062 8.7062 9.9578 9.9578 10.0868 10.0868 10.4594 10.4594 11.0999 11.0999 13.8322 13.8322 14.4189 14.4189 15.0088 15.0088 15.4490 15.4490 k = 0.5000-1.2008-0.8373 ( 2994 PWs) bands (ev): -42.8409 -42.8409 -42.7701 -42.7701 -20.6282 -20.6282 -20.5621 -20.5621 -18.7350 -18.7350 -18.6262 -18.6262 -18.3368 -18.3368 -18.0771 -18.0771 -0.2534 -0.2534 0.1263 0.1263 1.4358 1.4358 5.6362 5.6362 7.2525 7.2525 7.6019 7.6019 8.1454 8.1454 8.3882 8.3882 8.6949 8.6949 9.9361 9.9361 10.0680 10.0680 10.4515 10.4515 11.1056 11.1056 13.8264 13.8264 14.4045 14.4045 15.0086 15.0086 15.4841 15.4841 k = 0.5000-1.1868-0.8608 ( 2994 PWs) bands (ev): -42.8404 -42.8404 -42.7703 -42.7703 -20.6281 -20.6281 -20.5624 -20.5624 -18.7390 -18.7390 -18.6229 -18.6229 -18.3373 -18.3373 -18.0784 -18.0784 -0.2451 -0.2451 0.1292 0.1292 1.4306 1.4306 5.6531 5.6531 7.2185 7.2185 7.6488 7.6488 8.1525 8.1525 8.3882 8.3882 8.6805 8.6805 9.9094 9.9094 10.0442 10.0442 10.4404 10.4404 11.1136 11.1136 13.8191 13.8191 14.3857 14.3857 15.0102 15.0102 15.4925 15.4925 k = 0.5000-1.1729-0.8843 ( 2988 PWs) bands (ev): -42.8398 -42.8398 -42.7705 -42.7705 -20.6279 -20.6279 -20.5627 -20.5627 -18.7435 -18.7435 -18.6193 -18.6193 -18.3380 -18.3380 -18.0799 -18.0799 -0.2351 -0.2351 0.1326 0.1326 1.4242 1.4242 5.6737 5.6737 7.1866 7.1866 7.6963 7.6963 8.1609 8.1609 8.3881 8.3881 8.6634 8.6634 9.8785 9.8785 10.0156 10.0156 10.4257 10.4257 11.1243 11.1243 13.8104 13.8104 14.3622 14.3622 15.0140 15.0140 15.4874 15.4874 k = 0.5000-1.1590-0.9078 ( 2990 PWs) bands (ev): -42.8393 -42.8393 -42.7708 -42.7708 -20.6278 -20.6278 -20.5632 -20.5632 -18.7484 -18.7484 -18.6153 -18.6153 -18.3388 -18.3388 -18.0817 -18.0817 -0.2233 -0.2233 0.1366 0.1366 1.4168 1.4168 5.6979 5.6979 7.1571 7.1571 7.7440 7.7440 8.1702 8.1702 8.3875 8.3875 8.6438 8.6438 9.8441 9.8441 9.9826 9.9826 10.4070 10.4070 11.1381 11.1381 13.8002 13.8002 14.3341 14.3341 15.0202 15.0202 15.4799 15.4799 k = 0.5000-1.1451-0.9314 ( 2990 PWs) bands (ev): -42.8385 -42.8385 -42.7712 -42.7712 -20.6276 -20.6276 -20.5637 -20.5637 -18.7536 -18.7536 -18.6111 -18.6111 -18.3397 -18.3397 -18.0837 -18.0837 -0.2099 -0.2099 0.1411 0.1411 1.4084 1.4084 5.7257 5.7257 7.1300 7.1300 7.7915 7.7915 8.1799 8.1799 8.3865 8.3865 8.6223 8.6223 9.8071 9.8071 9.9454 9.9454 10.3841 10.3841 11.1553 11.1553 13.7886 13.7886 14.3014 14.3014 15.0287 15.0287 15.4708 15.4708 k = 0.5000-1.1312-0.9549 ( 2986 PWs) bands (ev): -42.8376 -42.8376 -42.7716 -42.7716 -20.6274 -20.6274 -20.5643 -20.5643 -18.7591 -18.7591 -18.6068 -18.6068 -18.3407 -18.3407 -18.0859 -18.0859 -0.1950 -0.1950 0.1461 0.1461 1.3990 1.3990 5.7570 5.7570 7.1056 7.1056 7.8386 7.8386 8.1894 8.1894 8.3849 8.3849 8.5995 8.5995 9.7683 9.7683 9.9046 9.9046 10.3569 10.3569 11.1762 11.1762 13.7757 13.7757 14.2645 14.2645 15.0394 15.0394 15.4603 15.4603 k = 0.5000-1.1173-0.9784 ( 2988 PWs) bands (ev): -42.8367 -42.8367 -42.7721 -42.7721 -20.6271 -20.6271 -20.5649 -20.5649 -18.7648 -18.7648 -18.6023 -18.6023 -18.3418 -18.3418 -18.0883 -18.0883 -0.1786 -0.1786 0.1515 0.1515 1.3886 1.3886 5.7918 5.7918 7.0840 7.0840 7.8846 7.8846 8.1979 8.1979 8.3825 8.3825 8.5765 8.5765 9.7283 9.7283 9.8608 9.8608 10.3254 10.3254 11.2010 11.2010 13.7614 13.7614 14.2234 14.2234 15.0519 15.0519 15.4484 15.4484 k = 0.5000-1.1034-1.0019 ( 2986 PWs) bands (ev): -42.8356 -42.8356 -42.7726 -42.7726 -20.6269 -20.6269 -20.5657 -20.5657 -18.7706 -18.7706 -18.5978 -18.5978 -18.3430 -18.3430 -18.0908 -18.0908 -0.1608 -0.1608 0.1573 0.1573 1.3774 1.3774 5.8298 5.8298 7.0651 7.0651 7.9291 7.9291 8.2039 8.2039 8.3793 8.3793 8.5548 8.5548 9.6877 9.6877 9.8147 9.8147 10.2895 10.2895 11.2299 11.2299 13.7458 13.7458 14.1785 14.1785 15.0660 15.0660 15.4355 15.4355 k = 0.5000-1.0894-1.0255 ( 2990 PWs) bands (ev): -42.8346 -42.8346 -42.7733 -42.7733 -20.6266 -20.6266 -20.5665 -20.5665 -18.7765 -18.7765 -18.5934 -18.5934 -18.3443 -18.3443 -18.0935 -18.0935 -0.1417 -0.1417 0.1634 0.1634 1.3655 1.3655 5.8711 5.8711 7.0492 7.0492 7.9710 7.9710 8.2059 8.2059 8.3755 8.3755 8.5364 8.5364 9.6471 9.6471 9.7672 9.7672 10.2495 10.2495 11.2628 11.2628 13.7289 13.7289 14.1299 14.1299 15.0813 15.0813 15.4217 15.4217 k = 0.5000-1.0755-1.0490 ( 2992 PWs) bands (ev): -42.8335 -42.8335 -42.7739 -42.7739 -20.6262 -20.6262 -20.5674 -20.5674 -18.7823 -18.7823 -18.5889 -18.5889 -18.3458 -18.3458 -18.0962 -18.0962 -0.1216 -0.1216 0.1697 0.1697 1.3528 1.3528 5.9155 5.9155 7.0361 7.0361 8.0089 8.0089 8.2023 8.2023 8.3714 8.3714 8.5235 8.5235 9.6069 9.6069 9.7191 9.7191 10.2055 10.2055 11.2999 11.2999 13.7106 13.7106 14.0780 14.0780 15.0976 15.0976 15.4074 15.4074 k = 0.5000-1.0616-1.0725 ( 2988 PWs) bands (ev): -42.8322 -42.8322 -42.7746 -42.7746 -20.6258 -20.6258 -20.5684 -20.5684 -18.7881 -18.7881 -18.5845 -18.5845 -18.3473 -18.3473 -18.0991 -18.0991 -0.1004 -0.1004 0.1762 0.1762 1.3395 1.3395 5.9630 5.9630 7.0260 7.0260 8.0402 8.0402 8.1923 8.1923 8.3679 8.3679 8.5181 8.5181 9.5675 9.5675 9.6713 9.6713 10.1577 10.1577 11.3410 11.3410 13.6908 13.6908 14.0230 14.0230 15.1146 15.1146 15.3929 15.3929 k = 0.5000-1.0477-1.0960 ( 2994 PWs) bands (ev): -42.8309 -42.8309 -42.7754 -42.7754 -20.6254 -20.6254 -20.5696 -20.5696 -18.7939 -18.7939 -18.5802 -18.5802 -18.3489 -18.3489 -18.1020 -18.1020 -0.0784 -0.0784 0.1829 0.1829 1.3257 1.3257 6.0133 6.0133 7.0188 7.0188 8.0607 8.0607 8.1770 8.1770 8.3670 8.3670 8.5211 8.5211 9.5290 9.5290 9.6248 9.6248 10.1064 10.1064 11.3862 11.3862 13.6694 13.6694 13.9652 13.9652 15.1320 15.1320 15.3787 15.3787 k = 0.5000-1.0338-1.1196 ( 2996 PWs) bands (ev): -42.8295 -42.8295 -42.7762 -42.7762 -20.6249 -20.6249 -20.5708 -20.5708 -18.7995 -18.7995 -18.5760 -18.5760 -18.3505 -18.3505 -18.1050 -18.1050 -0.0557 -0.0557 0.1896 0.1896 1.3116 1.3116 6.0663 6.0663 7.0145 7.0145 8.0646 8.0646 8.1593 8.1593 8.3717 8.3717 8.5319 8.5319 9.4919 9.4919 9.5806 9.5806 10.0520 10.0520 11.4353 11.4353 13.6464 13.6464 13.9048 13.9048 15.1497 15.1497 15.3651 15.3651 k = 0.5000-1.0199-1.1431 ( 2988 PWs) bands (ev): -42.8279 -42.8279 -42.7771 -42.7771 -20.6243 -20.6243 -20.5721 -20.5721 -18.8050 -18.8050 -18.5719 -18.5719 -18.3522 -18.3522 -18.1079 -18.1079 -0.0324 -0.0324 0.1962 0.1962 1.2972 1.2972 6.1219 6.1219 7.0131 7.0131 8.0491 8.0491 8.1404 8.1404 8.3852 8.3852 8.5492 8.5492 9.4562 9.4562 9.5392 9.5392 9.9946 9.9946 11.4883 11.4883 13.6216 13.6216 13.8421 13.8421 15.1672 15.1672 15.3527 15.3527 k = 0.5000-1.0060-1.1666 ( 2986 PWs) bands (ev): -42.8264 -42.8264 -42.7780 -42.7780 -20.6237 -20.6237 -20.5735 -20.5735 -18.8103 -18.8103 -18.5679 -18.5679 -18.3539 -18.3539 -18.1108 -18.1108 -0.0089 -0.0089 0.2028 0.2028 1.2827 1.2827 6.1800 6.1800 7.0145 7.0145 8.0184 8.0184 8.1167 8.1167 8.4078 8.4078 8.5714 8.5714 9.4221 9.4221 9.5014 9.5014 9.9348 9.9348 11.5451 11.5451 13.5948 13.5948 13.7774 13.7774 15.1843 15.1843 15.3420 15.3420 k = 0.5000-0.9920-1.1901 ( 2990 PWs) bands (ev): -42.8249 -42.8249 -42.7790 -42.7790 -20.6230 -20.6230 -20.5750 -20.5750 -18.8154 -18.8154 -18.5642 -18.5642 -18.3556 -18.3556 -18.1137 -18.1137 0.0148 0.0148 0.2092 0.2092 1.2683 1.2683 6.2402 6.2402 7.0185 7.0185 7.9789 7.9789 8.0850 8.0850 8.4380 8.4380 8.5975 8.5975 9.3896 9.3896 9.4675 9.4675 9.8727 9.8727 11.6056 11.6056 13.5660 13.5660 13.7111 13.7111 15.2007 15.2007 15.3334 15.3334 k = 0.5000-0.9781-1.2137 ( 2994 PWs) bands (ev): -42.8233 -42.8233 -42.7801 -42.7801 -20.6223 -20.6223 -20.5766 -20.5766 -18.8203 -18.8203 -18.5606 -18.5606 -18.3574 -18.3574 -18.1165 -18.1165 0.0384 0.0384 0.2154 0.2154 1.2540 1.2540 6.3025 6.3025 7.0252 7.0252 7.9345 7.9345 8.0452 8.0452 8.4735 8.4735 8.6264 8.6264 9.3588 9.3588 9.4378 9.4378 9.8088 9.8088 11.6697 11.6697 13.5347 13.5347 13.6438 13.6438 15.2158 15.2158 15.3275 15.3275 k = 0.5000-0.9642-1.2372 ( 2984 PWs) bands (ev): -42.8215 -42.8215 -42.7811 -42.7811 -20.6214 -20.6214 -20.5783 -20.5783 -18.8249 -18.8249 -18.5572 -18.5572 -18.3590 -18.3590 -18.1192 -18.1192 0.0616 0.0616 0.2213 0.2213 1.2402 1.2402 6.3667 6.3667 7.0343 7.0343 7.8873 7.8873 7.9983 7.9983 8.5124 8.5124 8.6573 8.6573 9.3296 9.3296 9.4122 9.4122 9.7435 9.7435 11.7373 11.7373 13.5003 13.5003 13.5764 13.5764 15.2292 15.2292 15.3246 15.3246 k = 0.5000-0.9503-1.2607 ( 2986 PWs) bands (ev): -42.8198 -42.8198 -42.7823 -42.7823 -20.6205 -20.6205 -20.5801 -20.5801 -18.8292 -18.8292 -18.5541 -18.5541 -18.3607 -18.3607 -18.1217 -18.1217 0.0843 0.0843 0.2268 0.2268 1.2269 1.2269 6.4323 6.4323 7.0457 7.0457 7.8385 7.8385 7.9455 7.9455 8.5535 8.5535 8.6897 8.6897 9.3020 9.3020 9.3906 9.3906 9.6771 9.6771 11.8083 11.8083 13.4606 13.4606 13.5115 13.5115 15.2407 15.2407 15.3249 15.3249 k = 0.5000-0.9364-1.2842 ( 2990 PWs) bands (ev): -42.8180 -42.8180 -42.7836 -42.7836 -20.6195 -20.6195 -20.5820 -20.5820 -18.8332 -18.8332 -18.5512 -18.5512 -18.3623 -18.3623 -18.1241 -18.1241 0.1062 0.1062 0.2318 0.2318 1.2143 1.2143 6.4993 6.4993 7.0592 7.0592 7.7889 7.7889 7.8882 7.8882 8.5962 8.5962 8.7231 8.7231 9.2760 9.2760 9.3727 9.3727 9.6100 9.6100 11.8826 11.8826 13.4093 13.4093 13.4557 13.4557 15.2502 15.2502 15.3282 15.3282 k = 0.5000-0.9225-1.3078 ( 2996 PWs) bands (ev): -42.8162 -42.8162 -42.7850 -42.7850 -20.6184 -20.6184 -20.5840 -20.5840 -18.8368 -18.8368 -18.5486 -18.5486 -18.3638 -18.3638 -18.1264 -18.1264 0.1270 0.1270 0.2363 0.2363 1.2027 1.2027 6.5672 6.5672 7.0746 7.0746 7.7391 7.7391 7.8279 7.8279 8.6400 8.6400 8.7569 8.7569 9.2514 9.2514 9.3579 9.3579 9.5429 9.5429 11.9601 11.9601 13.3455 13.3455 13.4104 13.4104 15.2582 15.2582 15.3337 15.3337 k = 0.5000-0.9085-1.3313 ( 2998 PWs) bands (ev): -42.8143 -42.8143 -42.7866 -42.7866 -20.6171 -20.6171 -20.5860 -20.5860 -18.8401 -18.8401 -18.5463 -18.5463 -18.3652 -18.3652 -18.1284 -18.1284 0.1464 0.1464 0.2402 0.2402 1.1921 1.1921 6.6357 6.6357 7.0916 7.0916 7.6891 7.6891 7.7662 7.7662 8.6846 8.6846 8.7907 8.7907 9.2279 9.2279 9.3458 9.3458 9.4764 9.4764 12.0407 12.0407 13.2766 13.2766 13.3687 13.3687 15.2654 15.2654 15.3402 15.3402 k = 0.5000-0.8946-1.3548 ( 2992 PWs) bands (ev): -42.8123 -42.8123 -42.7880 -42.7880 -20.6158 -20.6158 -20.5882 -20.5882 -18.8430 -18.8430 -18.5442 -18.5442 -18.3664 -18.3664 -18.1302 -18.1302 0.1642 0.1642 0.2435 0.2435 1.1827 1.1827 6.7043 6.7043 7.1098 7.1098 7.6385 7.6385 7.7053 7.7053 8.7300 8.7300 8.8239 8.8239 9.2050 9.2050 9.3356 9.3356 9.4117 9.4117 12.1242 12.1242 13.2062 13.2062 13.3274 13.3274 15.2723 15.2723 15.3469 15.3469 k = 0.5000-0.8807-1.3783 ( 3000 PWs) bands (ev): -42.8104 -42.8104 -42.7897 -42.7897 -20.6143 -20.6143 -20.5904 -20.5904 -18.8455 -18.8455 -18.5425 -18.5425 -18.3675 -18.3675 -18.1318 -18.1318 0.1802 0.1802 0.2461 0.2461 1.1746 1.1746 6.7724 6.7724 7.1286 7.1286 7.5862 7.5862 7.6482 7.6482 8.7759 8.7759 8.8562 8.8562 9.1816 9.1816 9.3254 9.3254 9.3518 9.3518 12.2106 12.2106 13.1357 13.1357 13.2857 13.2857 15.2790 15.2790 15.3531 15.3531 k = 0.5000-0.8668-1.4019 ( 3000 PWs) bands (ev): -42.8084 -42.8084 -42.7914 -42.7914 -20.6127 -20.6127 -20.5927 -20.5927 -18.8477 -18.8477 -18.5410 -18.5410 -18.3684 -18.3684 -18.1332 -18.1332 0.1940 0.1940 0.2482 0.2482 1.1680 1.1680 6.8393 6.8393 7.1470 7.1470 7.5318 7.5318 7.5979 7.5979 8.8221 8.8221 8.8868 8.8868 9.1553 9.1553 9.2909 9.2909 9.3241 9.3241 12.2995 12.2995 13.0656 13.0656 13.2437 13.2437 15.2853 15.2853 15.3584 15.3584 k = 0.5000-0.8529-1.4254 ( 3004 PWs) bands (ev): -42.8065 -42.8065 -42.7931 -42.7931 -20.6109 -20.6109 -20.5951 -20.5951 -18.8494 -18.8494 -18.5399 -18.5399 -18.3692 -18.3692 -18.1343 -18.1343 0.2055 0.2055 0.2496 0.2496 1.1628 1.1628 6.9037 6.9037 7.1633 7.1633 7.4773 7.4773 7.5555 7.5555 8.8684 8.8684 8.9148 8.9148 9.1224 9.1224 9.2477 9.2477 9.3172 9.3172 12.3909 12.3909 12.9964 12.9964 13.2014 13.2014 15.2908 15.2908 15.3628 15.3628 k = 0.5000-0.8390-1.4489 ( 3004 PWs) bands (ev): -42.8045 -42.8045 -42.7949 -42.7949 -20.6089 -20.6089 -20.5974 -20.5974 -18.8506 -18.8506 -18.5391 -18.5391 -18.3697 -18.3697 -18.1351 -18.1351 0.2142 0.2142 0.2506 0.2506 1.1591 1.1591 6.9640 6.9640 7.1743 7.1743 7.4283 7.4283 7.5210 7.5210 8.9129 8.9129 8.9395 8.9395 9.0820 9.0820 9.2178 9.2178 9.3122 9.3122 12.4845 12.4845 12.9284 12.9284 13.1592 13.1592 15.2949 15.2949 15.3666 15.3666 k = 0.5000-0.8251-1.4724 ( 2996 PWs) bands (ev): -42.8023 -42.8023 -42.7968 -42.7968 -20.6069 -20.6069 -20.5998 -20.5998 -18.8515 -18.8515 -18.5385 -18.5385 -18.3701 -18.3701 -18.1356 -18.1356 0.2200 0.2200 0.2513 0.2513 1.1567 1.1567 7.0171 7.0171 7.1748 7.1748 7.3922 7.3922 7.4954 7.4954 8.9398 8.9398 8.9692 8.9692 9.0434 9.0434 9.2001 9.2001 9.3082 9.3082 12.5799 12.5799 12.8618 12.8618 13.1173 13.1173 15.2970 15.2970 15.3700 15.3700 k = 0.5000-0.8111-1.4960 ( 2998 PWs) bands (ev): -42.8002 -42.8002 -42.7988 -42.7988 -20.6048 -20.6048 -20.6020 -20.6020 -18.8519 -18.8519 -18.5383 -18.5383 -18.3703 -18.3703 -18.1359 -18.1359 0.2226 0.2226 0.2517 0.2517 1.1556 1.1556 7.0571 7.0571 7.1619 7.1619 7.3759 7.3759 7.4806 7.4806 8.9237 8.9237 9.0091 9.0091 9.0300 9.0300 9.1911 9.1911 9.3054 9.3054 12.6761 12.6761 12.7974 12.7974 13.0762 13.0762 15.2968 15.2968 15.3731 15.3731 k = 0.5000-0.7972-1.5195 ( 3000 PWs) bands (ev): -42.8009 -42.8009 -42.7982 -42.7982 -20.6052 -20.6052 -20.6016 -20.6016 -18.8518 -18.8518 -18.5383 -18.5383 -18.3703 -18.3703 -18.1358 -18.1358 0.2224 0.2224 0.2516 0.2516 1.1556 1.1556 7.0691 7.0691 7.1487 7.1487 7.3784 7.3784 7.4795 7.4795 8.8791 8.8791 9.0271 9.0271 9.0609 9.0609 9.1884 9.1884 9.3045 9.3045 12.7284 12.7284 12.7790 12.7790 13.0369 13.0369 15.2943 15.2943 15.3760 15.3760 k = 0.5000-0.7833-1.5430 ( 2998 PWs) bands (ev): -42.8030 -42.8030 -42.7962 -42.7962 -20.6076 -20.6076 -20.5990 -20.5990 -18.8513 -18.8513 -18.5386 -18.5386 -18.3700 -18.3700 -18.1355 -18.1355 0.2196 0.2196 0.2508 0.2508 1.1565 1.1565 7.0429 7.0429 7.1503 7.1503 7.3930 7.3930 7.4938 7.4938 8.8265 8.8265 9.0375 9.0375 9.1014 9.1014 9.1908 9.1908 9.3070 9.3070 12.6693 12.6693 12.8699 12.8699 13.0035 13.0035 15.2899 15.2899 15.3781 15.3781 k = 0.8251-0.7210-1.4296 ( 2998 PWs) bands (ev): -42.8030 -42.8030 -42.7962 -42.7962 -20.6076 -20.6076 -20.5990 -20.5990 -18.8513 -18.8513 -18.5386 -18.5386 -18.3700 -18.3700 -18.1355 -18.1355 0.2196 0.2196 0.2508 0.2508 1.1565 1.1565 7.0429 7.0429 7.1503 7.1503 7.3930 7.3930 7.4938 7.4938 8.8265 8.8265 9.0375 9.0375 9.1014 9.1014 9.1908 9.1908 9.3070 9.3070 12.6693 12.6693 12.8699 12.8699 13.0035 13.0035 15.2899 15.2899 15.3781 15.3781 k = 0.8199-0.7080-1.4060 ( 3004 PWs) bands (ev): -42.8052 -42.8052 -42.7942 -42.7942 -20.6100 -20.6100 -20.5961 -20.5961 -18.8504 -18.8504 -18.5391 -18.5391 -18.3696 -18.3696 -18.1349 -18.1349 0.2148 0.2148 0.2487 0.2487 1.1579 1.1579 6.9997 6.9997 7.1524 7.1524 7.4144 7.4144 7.5216 7.5216 8.7727 8.7727 9.0466 9.0466 9.1359 9.1359 9.1980 9.1980 9.3157 9.3157 12.6091 12.6091 12.9230 12.9230 13.0126 13.0126 15.2841 15.2841 15.3790 15.3790 k = 0.8147-0.6951-1.3825 ( 2994 PWs) bands (ev): -42.8073 -42.8073 -42.7922 -42.7922 -20.6125 -20.6125 -20.5929 -20.5929 -18.8490 -18.8490 -18.5398 -18.5398 -18.3690 -18.3690 -18.1340 -18.1340 0.2081 0.2081 0.2452 0.2452 1.1598 1.1598 6.9528 6.9528 7.1486 7.1486 7.4397 7.4397 7.5584 7.5584 8.7206 8.7206 9.0539 9.0539 9.1588 9.1588 9.2102 9.2102 9.3342 9.3342 12.5503 12.5503 12.9018 12.9018 13.0981 13.0981 15.2777 15.2777 15.3783 15.3783 k = 0.8096-0.6821-1.3589 ( 2994 PWs) bands (ev): -42.8097 -42.8097 -42.7902 -42.7902 -20.6150 -20.6150 -20.5895 -20.5895 -18.8472 -18.8472 -18.5407 -18.5407 -18.3683 -18.3683 -18.1328 -18.1328 0.1998 0.1998 0.2404 0.2404 1.1616 1.1616 6.9065 6.9065 7.1404 7.1404 7.4673 7.4673 7.5994 7.5994 8.6713 8.6713 9.0598 9.0598 9.1693 9.1693 9.2252 9.2252 9.3646 9.3646 12.4929 12.4929 12.8679 12.8679 13.1977 13.1977 15.2712 15.2712 15.3757 15.3757 k = 0.8044-0.6691-1.3353 ( 2988 PWs) bands (ev): -42.8120 -42.8120 -42.7881 -42.7881 -20.6174 -20.6174 -20.5858 -20.5858 -18.8450 -18.8450 -18.5418 -18.5418 -18.3673 -18.3673 -18.1313 -18.1313 0.1900 0.1900 0.2341 0.2341 1.1632 1.1632 6.8628 6.8628 7.1301 7.1301 7.4962 7.4962 7.6404 7.6404 8.6258 8.6258 9.0648 9.0648 9.1716 9.1716 9.2400 9.2400 9.4051 9.4051 12.4368 12.4368 12.8331 12.8331 13.2994 13.2994 15.2651 15.2651 15.3710 15.3710 k = 0.7993-0.6562-1.3117 ( 2990 PWs) bands (ev): -42.8145 -42.8145 -42.7862 -42.7862 -20.6198 -20.6198 -20.5819 -20.5819 -18.8423 -18.8423 -18.5430 -18.5430 -18.3662 -18.3662 -18.1296 -18.1296 0.1787 0.1787 0.2266 0.2266 1.1643 1.1643 6.8224 6.8224 7.1196 7.1196 7.5256 7.5256 7.6783 7.6783 8.5850 8.5850 9.0693 9.0693 9.1691 9.1691 9.2549 9.2549 9.4522 9.4522 12.3819 12.3819 12.7989 12.7989 13.4011 13.4011 15.2600 15.2600 15.3643 15.3643 k = 0.7941-0.6432-1.2881 ( 2998 PWs) bands (ev): -42.8172 -42.8172 -42.7844 -42.7844 -20.6221 -20.6221 -20.5777 -20.5777 -18.8393 -18.8393 -18.5443 -18.5443 -18.3648 -18.3648 -18.1276 -18.1276 0.1660 0.1660 0.2178 0.2178 1.1646 1.1646 6.7862 6.7862 7.1099 7.1099 7.5550 7.5550 7.7109 7.7109 8.5495 8.5495 9.0735 9.0735 9.1636 9.1636 9.2706 9.2706 9.5032 9.5032 12.3278 12.3278 12.7657 12.7657 13.5019 13.5019 15.2559 15.2559 15.3559 15.3559 k = 0.7889-0.6302-1.2645 ( 2994 PWs) bands (ev): -42.8198 -42.8198 -42.7825 -42.7825 -20.6243 -20.6243 -20.5732 -20.5732 -18.8358 -18.8358 -18.5457 -18.5457 -18.3633 -18.3633 -18.1253 -18.1253 0.1520 0.1520 0.2079 0.2079 1.1638 1.1638 6.7543 6.7543 7.1017 7.1017 7.5841 7.5841 7.7362 7.7362 8.5197 8.5197 9.0778 9.0778 9.1566 9.1566 9.2879 9.2879 9.5566 9.5566 12.2744 12.2744 12.7336 12.7336 13.6009 13.6009 15.2530 15.2530 15.3462 15.3462 k = 0.7838-0.6173-1.2409 ( 2994 PWs) bands (ev): -42.8225 -42.8225 -42.7807 -42.7807 -20.6265 -20.6265 -20.5684 -20.5684 -18.8320 -18.8320 -18.5471 -18.5471 -18.3617 -18.3617 -18.1228 -18.1228 0.1365 0.1365 0.1970 0.1970 1.1619 1.1619 6.7272 6.7272 7.0955 7.0955 7.6126 7.6126 7.7530 7.7530 8.4957 8.4957 9.0826 9.0826 9.1492 9.1492 9.3075 9.3075 9.6116 9.6116 12.2215 12.2215 12.7026 12.7026 13.6976 13.6976 15.2508 15.2508 15.3362 15.3362 k = 0.7786-0.6043-1.2173 ( 2992 PWs) bands (ev): -42.8252 -42.8252 -42.7789 -42.7789 -20.6285 -20.6285 -20.5634 -20.5634 -18.8279 -18.8279 -18.5486 -18.5486 -18.3598 -18.3598 -18.1201 -18.1201 0.1197 0.1197 0.1851 0.1851 1.1587 1.1587 6.7050 6.7050 7.0915 7.0915 7.6399 7.6399 7.7607 7.7607 8.4767 8.4767 9.0884 9.0884 9.1422 9.1422 9.3295 9.3295 9.6675 9.6675 12.1689 12.1689 12.6725 12.6725 13.7910 13.7910 15.2484 15.2484 15.3270 15.3270 k = 0.7735-0.5914-1.1937 ( 2994 PWs) bands (ev): -42.8281 -42.8281 -42.7771 -42.7771 -20.6305 -20.6305 -20.5580 -20.5580 -18.8234 -18.8234 -18.5501 -18.5501 -18.3578 -18.3578 -18.1172 -18.1172 0.1015 0.1015 0.1722 0.1722 1.1541 1.1541 6.6876 6.6876 7.0900 7.0900 7.6656 7.6656 7.7600 7.7600 8.4614 8.4614 9.0951 9.0951 9.1371 9.1371 9.3543 9.3543 9.7239 9.7239 12.1166 12.1166 12.6434 12.6434 13.8805 13.8805 15.2446 15.2446 15.3202 15.3202 k = 0.7683-0.5784-1.1701 ( 2990 PWs) bands (ev): -42.8309 -42.8309 -42.7753 -42.7753 -20.6323 -20.6323 -20.5524 -20.5524 -18.8186 -18.8186 -18.5515 -18.5515 -18.3555 -18.3555 -18.1142 -18.1142 0.0821 0.0821 0.1585 0.1585 1.1481 1.1481 6.6753 6.6753 7.0910 7.0910 7.6880 7.6880 7.7529 7.7529 8.4479 8.4479 9.1022 9.1022 9.1359 9.1359 9.3821 9.3821 9.7806 9.7806 12.0645 12.0645 12.6149 12.6149 13.9654 13.9654 15.2383 15.2383 15.3170 15.3170 k = 0.7632-0.5654-1.1465 ( 2986 PWs) bands (ev): -42.8339 -42.8339 -42.7736 -42.7736 -20.6340 -20.6340 -20.5464 -20.5464 -18.8135 -18.8135 -18.5528 -18.5528 -18.3531 -18.3531 -18.1109 -18.1109 0.0614 0.0614 0.1438 0.1438 1.1407 1.1407 6.6677 6.6677 7.0947 7.0947 7.7011 7.7011 7.7467 7.7467 8.4342 8.4342 9.1072 9.1072 9.1420 9.1420 9.4130 9.4130 9.8373 9.8373 12.0127 12.0127 12.5869 12.5869 14.0447 14.0447 15.2294 15.2294 15.3176 15.3176 k = 0.7580-0.5525-1.1229 ( 2984 PWs) bands (ev): -42.8369 -42.8369 -42.7719 -42.7719 -20.6356 -20.6356 -20.5402 -20.5402 -18.8082 -18.8082 -18.5541 -18.5541 -18.3505 -18.3505 -18.1076 -18.1076 0.0396 0.0396 0.1281 0.1281 1.1320 1.1320 6.6647 6.6647 7.1010 7.1010 7.6924 7.6924 7.7548 7.7548 8.4186 8.4186 9.1102 9.1102 9.1566 9.1566 9.4470 9.4470 9.8936 9.8936 11.9613 11.9613 12.5593 12.5593 14.1178 14.1178 15.2191 15.2191 15.3208 15.3208 k = 0.7528-0.5395-1.0993 ( 2984 PWs) bands (ev): -42.8400 -42.8400 -42.7703 -42.7703 -20.6371 -20.6371 -20.5337 -20.5337 -18.8027 -18.8027 -18.5552 -18.5552 -18.3476 -18.3476 -18.1041 -18.1041 0.0165 0.0165 0.1113 0.1113 1.1222 1.1222 6.6661 6.6661 7.1101 7.1101 7.6687 7.6687 7.7720 7.7720 8.3998 8.3998 9.1136 9.1136 9.1773 9.1773 9.4841 9.4841 9.9495 9.9495 11.9106 11.9106 12.5317 12.5317 14.1840 14.1840 15.2085 15.2085 15.3248 15.3248 k = 0.7477-0.5265-1.0758 ( 2990 PWs) bands (ev): -42.8432 -42.8432 -42.7689 -42.7689 -20.6384 -20.6384 -20.5269 -20.5269 -18.7970 -18.7970 -18.5562 -18.5562 -18.3445 -18.3445 -18.1005 -18.1005 -0.0077 -0.0077 0.0933 0.0933 1.1114 1.1114 6.6716 6.6716 7.1217 7.1217 7.6386 7.6386 7.7907 7.7907 8.3771 8.3771 9.1193 9.1193 9.2025 9.2025 9.5241 9.5241 10.0047 10.0047 11.8610 11.8610 12.5039 12.5039 14.2428 14.2428 15.1987 15.1987 15.3284 15.3284 k = 0.7425-0.5136-1.0522 ( 2994 PWs) bands (ev): -42.8464 -42.8464 -42.7674 -42.7674 -20.6396 -20.6396 -20.5198 -20.5198 -18.7911 -18.7911 -18.5570 -18.5570 -18.3412 -18.3412 -18.0969 -18.0969 -0.0329 -0.0329 0.0741 0.0741 1.0998 1.0998 6.6806 6.6806 7.1361 7.1361 7.6048 7.6048 7.8091 7.8091 8.3505 8.3505 9.1282 9.1282 9.2308 9.2308 9.5669 9.5669 10.0590 10.0590 11.8128 11.8128 12.4759 12.4759 14.2937 14.2937 15.1906 15.1906 15.3302 15.3302 k = 0.7374-0.5006-1.0286 ( 2994 PWs) bands (ev): -42.8496 -42.8496 -42.7660 -42.7660 -20.6406 -20.6406 -20.5124 -20.5124 -18.7851 -18.7851 -18.5575 -18.5575 -18.3377 -18.3377 -18.0931 -18.0931 -0.0591 -0.0591 0.0535 0.0535 1.0879 1.0879 6.6926 6.6926 7.1530 7.1530 7.5685 7.5685 7.8272 7.8272 8.3202 8.3202 9.1410 9.1410 9.2612 9.2612 9.6124 9.6124 10.1120 10.1120 11.7666 11.7666 12.4473 12.4473 14.3366 14.3366 15.1844 15.1844 15.3291 15.3291 k = 0.7322-0.4876-1.0050 ( 2988 PWs) bands (ev): -42.8529 -42.8529 -42.7645 -42.7645 -20.6415 -20.6415 -20.5047 -20.5047 -18.7791 -18.7791 -18.5578 -18.5578 -18.3339 -18.3339 -18.0894 -18.0894 -0.0862 -0.0862 0.0313 0.0313 1.0757 1.0757 6.7070 6.7070 7.1723 7.1723 7.5301 7.5301 7.8452 7.8452 8.2868 8.2868 9.1578 9.1578 9.2927 9.2927 9.6603 9.6603 10.1637 10.1637 11.7229 11.7229 12.4179 12.4179 14.3717 14.3717 15.1805 15.1805 15.3246 15.3246 k = 0.7270-0.4747-0.9814 ( 2990 PWs) bands (ev): -42.8563 -42.8563 -42.7632 -42.7632 -20.6422 -20.6422 -20.4968 -20.4968 -18.7731 -18.7731 -18.5578 -18.5578 -18.3299 -18.3299 -18.0856 -18.0856 -0.1142 -0.1142 0.0073 0.0073 1.0637 1.0637 6.7232 6.7232 7.1940 7.1940 7.4902 7.4902 7.8638 7.8638 8.2508 8.2508 9.1788 9.1788 9.3244 9.3244 9.7105 9.7105 10.2137 10.2137 11.6823 11.6823 12.3876 12.3876 14.3991 14.3991 15.1785 15.1785 15.3160 15.3161 k = 0.7219-0.4617-0.9578 ( 2988 PWs) bands (ev): -42.8596 -42.8596 -42.7619 -42.7619 -20.6428 -20.6428 -20.4887 -20.4887 -18.7671 -18.7671 -18.5574 -18.5574 -18.3257 -18.3257 -18.0818 -18.0818 -0.1430 -0.1430 -0.0184 -0.0184 1.0521 1.0521 6.7402 6.7402 7.2176 7.2176 7.4490 7.4490 7.8835 7.8835 8.2130 8.2130 9.2040 9.2040 9.3556 9.3556 9.7626 9.7626 10.2619 10.2619 11.6454 11.6454 12.3563 12.3563 14.4195 14.4195 15.1782 15.1782 15.3035 15.3035 k = 0.7167-0.4487-0.9342 ( 2984 PWs) bands (ev): -42.8630 -42.8630 -42.7606 -42.7606 -20.6432 -20.6432 -20.4802 -20.4802 -18.7612 -18.7612 -18.5566 -18.5566 -18.3212 -18.3212 -18.0780 -18.0780 -0.1725 -0.1725 -0.0460 -0.0460 1.0412 1.0412 6.7574 6.7574 7.2425 7.2425 7.4072 7.4072 7.9053 7.9053 8.1742 8.1742 9.2333 9.2333 9.3856 9.3856 9.8163 9.8163 10.3080 10.3080 11.6128 11.6128 12.3238 12.3238 14.4337 14.4337 15.1792 15.1792 15.2873 15.2873 k = 0.7116-0.4358-0.9106 ( 2980 PWs) bands (ev): -42.8664 -42.8664 -42.7594 -42.7594 -20.6435 -20.6435 -20.4716 -20.4716 -18.7554 -18.7554 -18.5554 -18.5554 -18.3164 -18.3164 -18.0743 -18.0743 -0.2027 -0.2027 -0.0757 -0.0757 1.0313 1.0313 6.7738 6.7738 7.2662 7.2662 7.3671 7.3671 7.9299 7.9299 8.1353 8.1353 9.2666 9.2666 9.4139 9.4139 9.8714 9.8714 10.3518 10.3518 11.5852 11.5852 12.2901 12.2901 14.4424 14.4424 15.1805 15.1805 15.2681 15.2681 k = 0.7064-0.4228-0.8870 ( 2988 PWs) bands (ev): -42.8699 -42.8699 -42.7584 -42.7584 -20.6437 -20.6437 -20.4628 -20.4628 -18.7499 -18.7499 -18.5537 -18.5537 -18.3115 -18.3115 -18.0706 -18.0706 -0.2335 -0.2335 -0.1075 -0.1075 1.0226 1.0226 6.7887 6.7887 7.2759 7.2759 7.3411 7.3411 7.9577 7.9577 8.0973 8.0973 9.3036 9.3036 9.4403 9.4403 9.9275 9.9275 10.3931 10.3931 11.5630 11.5630 12.2552 12.2552 14.4463 14.4463 15.1809 15.1809 15.2475 15.2475 k = 0.7012-0.4098-0.8634 ( 2986 PWs) bands (ev): -42.8733 -42.8733 -42.7574 -42.7574 -20.6438 -20.6438 -20.4537 -20.4537 -18.7446 -18.7446 -18.5515 -18.5515 -18.3062 -18.3062 -18.0670 -18.0670 -0.2648 -0.2648 -0.1413 -0.1413 1.0154 1.0154 6.8015 6.8015 7.2480 7.2480 7.3524 7.3524 7.9872 7.9872 8.0634 8.0634 9.3439 9.3439 9.4646 9.4646 9.9844 9.9844 10.4317 10.4317 11.5466 11.5466 12.2191 12.2191 14.4461 14.4461 15.1777 15.1777 15.2288 15.2288 k = 0.6961-0.3969-0.8398 ( 2984 PWs) bands (ev): -42.8768 -42.8768 -42.7564 -42.7564 -20.6437 -20.6437 -20.4445 -20.4445 -18.7395 -18.7395 -18.5487 -18.5487 -18.3007 -18.3007 -18.0634 -18.0634 -0.2965 -0.2965 -0.1772 -0.1772 1.0097 1.0097 6.8114 6.8114 7.2029 7.2029 7.3800 7.3800 8.0005 8.0005 8.0532 8.0532 9.3871 9.3871 9.4871 9.4871 10.0415 10.0415 10.4673 10.4673 11.5365 11.5365 12.1818 12.1818 14.4422 14.4422 15.1657 15.1657 15.2178 15.2178 k = 0.6909-0.3839-0.8162 ( 2982 PWs) bands (ev): -42.8802 -42.8802 -42.7555 -42.7555 -20.6435 -20.6435 -20.4351 -20.4351 -18.7348 -18.7348 -18.5453 -18.5453 -18.2950 -18.2950 -18.0599 -18.0599 -0.3287 -0.3287 -0.2152 -0.2152 1.0058 1.0058 6.8183 6.8183 7.1529 7.1529 7.4107 7.4107 7.9780 7.9780 8.0876 8.0876 9.4321 9.4321 9.5083 9.5083 10.0985 10.0985 10.4998 10.4998 11.5329 11.5329 12.1435 12.1435 14.4350 14.4350 15.1444 15.1444 15.2156 15.2156 k = 0.6858-0.3709-0.7926 ( 2984 PWs) bands (ev): -42.8837 -42.8837 -42.7546 -42.7546 -20.6431 -20.6431 -20.4256 -20.4256 -18.7304 -18.7304 -18.5414 -18.5414 -18.2891 -18.2891 -18.0565 -18.0565 -0.3611 -0.3611 -0.2550 -0.2550 1.0036 1.0036 6.8219 6.8219 7.1003 7.1003 7.4409 7.4409 7.9512 7.9512 8.1372 8.1372 9.4767 9.4767 9.5306 9.5306 10.1551 10.1551 10.5291 10.5291 11.5358 11.5358 12.1044 12.1044 14.4245 14.4245 15.1188 15.1188 15.2180 15.2180 k = 0.6806-0.3580-0.7691 ( 2984 PWs) bands (ev): -42.8872 -42.8872 -42.7538 -42.7538 -20.6427 -20.6427 -20.4160 -20.4160 -18.7264 -18.7264 -18.5368 -18.5368 -18.2829 -18.2829 -18.0533 -18.0533 -0.3938 -0.3938 -0.2966 -0.2966 1.0032 1.0032 6.8222 6.8222 7.0455 7.0455 7.4684 7.4684 7.9292 7.9292 8.1946 8.1946 9.5139 9.5139 9.5610 9.5610 10.2108 10.2108 10.5549 10.5549 11.5453 11.5453 12.0647 12.0647 14.4108 14.4108 15.0919 15.0919 15.2228 15.2228 k = 0.6754-0.3450-0.7455 ( 2988 PWs) bands (ev): -42.8907 -42.8907 -42.7530 -42.7530 -20.6422 -20.6422 -20.4063 -20.4063 -18.7228 -18.7228 -18.5317 -18.5317 -18.2765 -18.2765 -18.0502 -18.0502 -0.4268 -0.4268 -0.3397 -0.3397 1.0045 1.0045 6.8194 6.8194 6.9891 6.9891 7.4902 7.4902 7.9156 7.9156 8.2588 8.2588 9.5378 9.5378 9.6055 9.6055 10.2651 10.2651 10.5772 10.5772 11.5613 11.5613 12.0245 12.0245 14.3937 14.3937 15.0652 15.0652 15.2293 15.2293 k = 0.6703-0.3320-0.7219 ( 2992 PWs) bands (ev): -42.8942 -42.8942 -42.7524 -42.7524 -20.6416 -20.6416 -20.3965 -20.3965 -18.7195 -18.7195 -18.5260 -18.5260 -18.2699 -18.2699 -18.0472 -18.0472 -0.4599 -0.4599 -0.3841 -0.3841 1.0076 1.0076 6.8138 6.8138 6.9312 6.9312 7.5037 7.5037 7.9133 7.9133 8.3291 8.3291 9.5548 9.5548 9.6577 9.6577 10.3177 10.3177 10.5959 10.5959 11.5835 11.5835 11.9842 11.9842 14.3731 14.3731 15.0395 15.0395 15.2375 15.2375 k = 0.6651-0.3191-0.6983 ( 2992 PWs) bands (ev): -42.8977 -42.8977 -42.7517 -42.7517 -20.6409 -20.6409 -20.3867 -20.3867 -18.7167 -18.7167 -18.5197 -18.5197 -18.2631 -18.2631 -18.0443 -18.0443 -0.4933 -0.4933 -0.4295 -0.4295 1.0122 1.0122 6.8052 6.8052 6.8727 6.8727 7.5068 7.5068 7.9243 7.9243 8.4052 8.4052 9.5696 9.5696 9.7132 9.7132 10.3681 10.3681 10.6109 10.6109 11.6116 11.6116 11.9442 11.9442 14.3486 14.3486 15.0153 15.0153 15.2473 15.2473 k = 0.6600-0.3061-0.6747 ( 2994 PWs) bands (ev): -42.9011 -42.9011 -42.7511 -42.7511 -20.6401 -20.6401 -20.3769 -20.3769 -18.7141 -18.7141 -18.5129 -18.5129 -18.2561 -18.2561 -18.0416 -18.0416 -0.5271 -0.5271 -0.4755 -0.4755 1.0185 1.0185 6.7894 6.7894 6.8184 6.8184 7.4995 7.4995 7.9488 7.9488 8.4866 8.4866 9.5841 9.5841 9.7702 9.7702 10.4158 10.4158 10.6224 10.6224 11.6452 11.6452 11.9048 11.9048 14.3202 14.3202 14.9929 14.9929 15.2587 15.2587 k = 0.6548-0.2931-0.6511 ( 2994 PWs) bands (ev): -42.9044 -42.9044 -42.7506 -42.7506 -20.6393 -20.6393 -20.3670 -20.3670 -18.7119 -18.7119 -18.5057 -18.5057 -18.2489 -18.2489 -18.0390 -18.0390 -0.5619 -0.5619 -0.5212 -0.5212 1.0261 1.0261 6.7428 6.7428 6.7926 6.7926 7.4833 7.4833 7.9850 7.9850 8.5726 8.5726 9.5992 9.5992 9.8280 9.8280 10.4605 10.4605 10.6304 10.6304 11.6836 11.6836 11.8666 11.8666 14.2877 14.2877 14.9726 14.9726 15.2716 15.2716 k = 0.6496-0.2802-0.6275 ( 2996 PWs) bands (ev): -42.9078 -42.9078 -42.7501 -42.7501 -20.6385 -20.6385 -20.3572 -20.3572 -18.7100 -18.7100 -18.4981 -18.4981 -18.2415 -18.2415 -18.0367 -18.0367 -0.5987 -0.5987 -0.5651 -0.5651 1.0350 1.0350 6.6820 6.6820 6.7793 6.7793 7.4605 7.4605 8.0307 8.0307 8.6628 8.6628 9.6155 9.6155 9.8859 9.8859 10.5017 10.5017 10.6352 10.6352 11.7256 11.7256 11.8308 11.8308 14.2510 14.2510 14.9547 14.9547 15.2843 15.2843 k = 0.6445-0.2672-0.6039 ( 2994 PWs) bands (ev): -42.9110 -42.9110 -42.7496 -42.7496 -20.6375 -20.6375 -20.3475 -20.3475 -18.7083 -18.7083 -18.4901 -18.4901 -18.2341 -18.2341 -18.0344 -18.0344 -0.6395 -0.6395 -0.6052 -0.6052 1.0451 1.0451 6.6193 6.6193 6.7670 6.7670 7.4331 7.4331 8.0836 8.0836 8.7566 8.7566 9.6335 9.6335 9.9431 9.9431 10.5386 10.5386 10.6375 10.6375 11.7629 11.7629 11.8056 11.8056 14.2102 14.2102 14.9393 14.9393 15.2841 15.2841 k = 0.6393-0.2542-0.5803 ( 2990 PWs) bands (ev): -42.9142 -42.9142 -42.7492 -42.7492 -20.6366 -20.6366 -20.3378 -20.3378 -18.7068 -18.7068 -18.4818 -18.4818 -18.2264 -18.2264 -18.0324 -18.0324 -0.6843 -0.6843 -0.6411 -0.6411 1.0561 1.0561 6.5558 6.5558 6.7550 6.7550 7.4028 7.4028 8.1422 8.1422 8.8536 8.8536 9.6535 9.6535 9.9991 9.9991 10.5696 10.5696 10.6391 10.6391 11.7519 11.7519 11.8341 11.8341 14.1657 14.1657 14.9264 14.9264 15.2338 15.2338 k = 0.6342-0.2413-0.5567 ( 2992 PWs) bands (ev): -42.9174 -42.9174 -42.7488 -42.7488 -20.6356 -20.6356 -20.3283 -20.3283 -18.7056 -18.7056 -18.4732 -18.4732 -18.2187 -18.2187 -18.0306 -18.0306 -0.7313 -0.7313 -0.6743 -0.6743 1.0681 1.0681 6.4921 6.4921 6.7435 6.7435 7.3705 7.3705 8.2053 8.2053 8.9532 8.9532 9.6760 9.6760 10.0529 10.0529 10.5903 10.5903 10.6447 10.6447 11.7238 11.7238 11.8852 11.8852 14.1178 14.1178 14.9162 14.9162 15.1701 15.1701 k = 0.6290-0.2283-0.5331 ( 2996 PWs) bands (ev): -42.9205 -42.9205 -42.7486 -42.7486 -20.6346 -20.6346 -20.3188 -20.3188 -18.7045 -18.7045 -18.4644 -18.4644 -18.2110 -18.2110 -18.0289 -18.0289 -0.7792 -0.7792 -0.7060 -0.7060 1.0807 1.0807 6.4285 6.4285 6.7328 6.7328 7.3371 7.3371 8.2721 8.2721 9.0549 9.0549 9.7010 9.7010 10.1037 10.1037 10.5960 10.5960 10.6593 10.6593 11.6971 11.6971 11.9402 11.9402 14.0671 14.0671 14.9085 14.9085 15.1090 15.1090 k = 0.6238-0.2153-0.5095 ( 2992 PWs) bands (ev): -42.9234 -42.9234 -42.7483 -42.7483 -20.6336 -20.6336 -20.3096 -20.3096 -18.7035 -18.7035 -18.4555 -18.4555 -18.2031 -18.2031 -18.0274 -18.0274 -0.8271 -0.8271 -0.7366 -0.7366 1.0939 1.0939 6.3653 6.3653 6.7230 6.7230 7.3031 7.3031 8.3421 8.3421 9.1581 9.1581 9.7286 9.7286 10.1505 10.1505 10.5912 10.5912 10.6792 10.6792 11.6739 11.6739 11.9968 11.9968 14.0142 14.0142 14.9032 14.9032 15.0522 15.0522 k = 0.6187-0.2024-0.4859 ( 2990 PWs) bands (ev): -42.9264 -42.9264 -42.7480 -42.7480 -20.6326 -20.6326 -20.3005 -20.3005 -18.7027 -18.7027 -18.4465 -18.4465 -18.1952 -18.1952 -18.0261 -18.0261 -0.8747 -0.8747 -0.7662 -0.7662 1.1076 1.1076 6.3026 6.3026 6.7143 6.7143 7.2689 7.2689 8.4148 8.4148 9.2624 9.2624 9.7590 9.7590 10.1919 10.1919 10.5819 10.5819 10.6991 10.6991 11.6553 11.6553 12.0537 12.0537 13.9598 13.9598 14.9001 14.9001 14.9996 14.9996 k = 0.6135-0.1894-0.4623 ( 2990 PWs) bands (ev): -42.9292 -42.9292 -42.7478 -42.7478 -20.6317 -20.6317 -20.2916 -20.2916 -18.7020 -18.7020 -18.4374 -18.4374 -18.1874 -18.1874 -18.0250 -18.0250 -0.9216 -0.9216 -0.7950 -0.7950 1.1216 1.1216 6.2407 6.2407 6.7070 6.7070 7.2348 7.2348 8.4897 8.4897 9.3671 9.3671 9.7921 9.7921 10.2266 10.2266 10.5713 10.5713 10.7173 10.7173 11.6419 11.6419 12.1102 12.1102 13.9048 13.9048 14.8988 14.8988 14.9511 14.9511 k = 0.6084-0.1764-0.4388 ( 2986 PWs) bands (ev): -42.9320 -42.9320 -42.7476 -42.7476 -20.6307 -20.6307 -20.2829 -20.2829 -18.7014 -18.7014 -18.4283 -18.4283 -18.1796 -18.1796 -18.0241 -18.0241 -0.9678 -0.9678 -0.8228 -0.8228 1.1357 1.1357 6.1800 6.1800 6.7012 6.7012 7.2011 7.2011 8.5667 8.5667 9.4717 9.4717 9.8278 9.8278 10.2531 10.2531 10.5609 10.5609 10.7333 10.7333 11.6345 11.6345 12.1652 12.1652 13.8497 13.8497 14.8978 14.8978 14.9068 14.9068 k = 0.6032-0.1635-0.4152 ( 2984 PWs) bands (ev): -42.9346 -42.9346 -42.7475 -42.7475 -20.6297 -20.6297 -20.2745 -20.2745 -18.7008 -18.7008 -18.4192 -18.4192 -18.1718 -18.1718 -18.0233 -18.0233 -1.0128 -1.0128 -0.8498 -0.8498 1.1500 1.1500 6.1205 6.1205 6.6970 6.6970 7.1680 7.1680 8.6453 8.6453 9.5753 9.5753 9.8659 9.8659 10.2702 10.2702 10.5521 10.5521 10.7470 10.7470 11.6337 11.6337 12.2177 12.2177 13.7953 13.7953 14.8643 14.8643 14.8978 14.8978 k = 0.5980-0.1505-0.3916 ( 2974 PWs) bands (ev): -42.9371 -42.9371 -42.7472 -42.7472 -20.6287 -20.6287 -20.2664 -20.2664 -18.7003 -18.7003 -18.4102 -18.4102 -18.1642 -18.1642 -18.0227 -18.0227 -1.0567 -1.0567 -0.8758 -0.8758 1.1641 1.1641 6.0625 6.0625 6.6944 6.6944 7.1357 7.1357 8.7254 8.7254 9.6771 9.6771 9.9060 9.9060 10.2776 10.2776 10.5457 10.5457 10.7586 10.7586 11.6400 11.6400 12.2670 12.2670 13.7421 13.7421 14.8258 14.8258 14.8935 14.8935 k = 0.5929-0.1375-0.3680 ( 2970 PWs) bands (ev): -42.9397 -42.9397 -42.7469 -42.7469 -20.6278 -20.6278 -20.2585 -20.2585 -18.6998 -18.6998 -18.4013 -18.4013 -18.1566 -18.1566 -18.0223 -18.0223 -1.0992 -1.0992 -0.9009 -0.9009 1.1781 1.1781 6.0062 6.0062 6.6935 6.6935 7.1042 7.1042 8.8066 8.8066 9.7757 9.7757 9.9480 9.9480 10.2762 10.2762 10.5415 10.5415 10.7684 10.7684 11.6536 11.6536 12.3121 12.3121 13.6906 13.6906 14.7901 14.7901 14.8821 14.8821 k = 0.5877-0.1246-0.3444 ( 2972 PWs) bands (ev): -42.9421 -42.9421 -42.7469 -42.7469 -20.6269 -20.6269 -20.2510 -20.2510 -18.6994 -18.6994 -18.3926 -18.3926 -18.1493 -18.1493 -18.0220 -18.0220 -1.1402 -1.1402 -0.9249 -0.9249 1.1918 1.1918 5.9518 5.9518 6.6942 6.6942 7.0739 7.0739 8.8887 8.8887 9.8694 9.8694 9.9913 9.9913 10.2686 10.2686 10.5390 10.5390 10.7766 10.7766 11.6743 11.6743 12.3522 12.3522 13.6412 13.6412 14.7569 14.7569 14.8602 14.8602 k = 0.5826-0.1116-0.3208 ( 2974 PWs) bands (ev): -42.9444 -42.9444 -42.7468 -42.7468 -20.6261 -20.6261 -20.2438 -20.2438 -18.6991 -18.6991 -18.3840 -18.3840 -18.1422 -18.1422 -18.0219 -18.0219 -1.1796 -1.1796 -0.9478 -0.9478 1.2052 1.2052 5.8995 5.8995 6.6965 6.6965 7.0447 7.0447 8.9713 8.9713 9.9544 9.9544 10.0352 10.0352 10.2594 10.2594 10.5375 10.5375 10.7837 10.7837 11.7018 11.7018 12.3868 12.3868 13.5941 13.5941 14.7261 14.7261 14.8291 14.8291 k = 0.5774-0.0987-0.2972 ( 2976 PWs) bands (ev): -42.9466 -42.9466 -42.7468 -42.7468 -20.6253 -20.6253 -20.2370 -20.2370 -18.6987 -18.6987 -18.3757 -18.3757 -18.1353 -18.1353 -18.0219 -18.0219 -1.2172 -1.2172 -0.9696 -0.9696 1.2181 1.2181 5.8495 5.8495 6.7003 6.7003 7.0169 7.0169 9.0541 9.0541 10.0233 10.0233 10.0788 10.0788 10.2567 10.2567 10.5369 10.5369 10.7899 10.7899 11.7354 11.7354 12.4151 12.4151 13.5494 13.5494 14.6975 14.6975 14.7932 14.7932 k = 0.5722-0.0857-0.2736 ( 2970 PWs) bands (ev): -42.9486 -42.9486 -42.7466 -42.7466 -20.6245 -20.6245 -20.2305 -20.2305 -18.6984 -18.6984 -18.3677 -18.3677 -18.1287 -18.1287 -18.0220 -18.0220 -1.2528 -1.2528 -0.9902 -0.9902 1.2305 1.2305 5.8020 5.8020 6.7056 6.7056 6.9905 6.9905 9.1369 9.1369 10.0628 10.0628 10.1224 10.1224 10.2722 10.2722 10.5387 10.5387 10.7959 10.7959 11.7743 11.7743 12.4370 12.4370 13.5073 13.5073 14.6710 14.6710 14.7562 14.7562 k = 0.5671-0.0727-0.2500 ( 2966 PWs) bands (ev): -42.9505 -42.9505 -42.7465 -42.7465 -20.6238 -20.6238 -20.2244 -20.2244 -18.6981 -18.6981 -18.3599 -18.3599 -18.1224 -18.1224 -18.0222 -18.0222 -1.2865 -1.2865 -1.0096 -1.0096 1.2422 1.2422 5.7570 5.7570 6.7121 6.7121 6.9656 6.9656 9.2192 9.2192 10.0679 10.0679 10.1660 10.1660 10.3073 10.3073 10.5461 10.5461 10.8022 10.8022 11.8177 11.8177 12.4521 12.4521 13.4676 13.4676 14.6466 14.6466 14.7205 14.7205 k = 0.5619-0.0598-0.2264 ( 2964 PWs) bands (ev): -42.9523 -42.9523 -42.7465 -42.7465 -20.6231 -20.6231 -20.2187 -20.2187 -18.6978 -18.6978 -18.3525 -18.3525 -18.1165 -18.1165 -18.0225 -18.0225 -1.3181 -1.3181 -1.0277 -1.0277 1.2534 1.2534 5.7148 5.7148 6.7196 6.7196 6.9423 6.9423 9.3007 9.3007 10.0522 10.0522 10.2075 10.2075 10.3453 10.3453 10.5643 10.5643 10.8093 10.8093 11.8645 11.8645 12.4607 12.4607 13.4302 13.4302 14.6242 14.6242 14.6874 14.6874 k = 0.5568-0.0468-0.2028 ( 2962 PWs) bands (ev): -42.9539 -42.9539 -42.7465 -42.7465 -20.6225 -20.6225 -20.2134 -20.2134 -18.6975 -18.6975 -18.3455 -18.3455 -18.1110 -18.1110 -18.0228 -18.0228 -1.3475 -1.3475 -1.0445 -1.0445 1.2638 1.2638 5.6754 5.6754 6.7280 6.7280 6.9206 6.9206 9.3808 9.3808 10.0272 10.0272 10.2453 10.2453 10.3714 10.3714 10.5974 10.5974 10.8179 10.8179 11.9139 11.9139 12.4631 12.4631 13.3950 13.3950 14.6037 14.6037 14.6573 14.6573 k = 0.5516-0.0338-0.1792 ( 2960 PWs) bands (ev): -42.9554 -42.9554 -42.7465 -42.7465 -20.6219 -20.6219 -20.2085 -20.2085 -18.6973 -18.6973 -18.3390 -18.3390 -18.1059 -18.1059 -18.0232 -18.0232 -1.3747 -1.3747 -1.0600 -1.0600 1.2734 1.2734 5.6391 5.6391 6.7369 6.7369 6.9007 6.9007 9.4593 9.4593 9.9983 9.9983 10.2784 10.2784 10.3831 10.3831 10.6432 10.6432 10.8287 10.8287 11.9650 11.9650 12.4598 12.4598 13.3616 13.3616 14.5850 14.5850 14.6307 14.6307 k = 0.5464-0.0209-0.1556 ( 2960 PWs) bands (ev): -42.9568 -42.9568 -42.7465 -42.7465 -20.6214 -20.6214 -20.2041 -20.2041 -18.6971 -18.6971 -18.3329 -18.3329 -18.1012 -18.1012 -18.0236 -18.0236 -1.3995 -1.3995 -1.0742 -1.0742 1.2822 1.2822 5.6059 5.6059 6.7462 6.7462 6.8825 6.8825 9.5354 9.5354 9.9683 9.9683 10.3056 10.3056 10.3854 10.3854 10.6947 10.6947 10.8421 10.8421 12.0166 12.0166 12.4516 12.4516 13.3301 13.3301 14.5683 14.5683 14.6074 14.6074 k = 0.5413-0.0079-0.1321 ( 2964 PWs) bands (ev): -42.9582 -42.9582 -42.7465 -42.7465 -20.6209 -20.6209 -20.2001 -20.2001 -18.6969 -18.6969 -18.3273 -18.3273 -18.0970 -18.0970 -18.0239 -18.0239 -1.4219 -1.4219 -1.0869 -1.0869 1.2902 1.2902 5.5759 5.5759 6.7555 6.7555 6.8662 6.8662 9.6086 9.6086 9.9387 9.9387 10.3258 10.3258 10.3831 10.3831 10.7461 10.7461 10.8587 10.8587 12.0679 12.0679 12.4397 12.4397 13.3000 13.3000 14.5532 14.5532 14.5873 14.5873 k = 0.5361 0.0051-0.1085 ( 2958 PWs) bands (ev): -42.9592 -42.9592 -42.7464 -42.7464 -20.6205 -20.6205 -20.1965 -20.1965 -18.6967 -18.6967 -18.3222 -18.3222 -18.0934 -18.0934 -18.0243 -18.0243 -1.4417 -1.4417 -1.0982 -1.0982 1.2973 1.2973 5.5492 5.5492 6.7646 6.7646 6.8518 6.8518 9.6782 9.6782 9.9105 9.9105 10.3380 10.3380 10.3797 10.3797 10.7940 10.7940 10.8783 10.8783 12.1177 12.1177 12.4253 12.4253 13.2716 13.2716 14.5400 14.5400 14.5702 14.5702 k = 0.5310 0.0180-0.0849 ( 2964 PWs) bands (ev): -42.9603 -42.9603 -42.7465 -42.7465 -20.6202 -20.6202 -20.1935 -20.1935 -18.6966 -18.6966 -18.3178 -18.3178 -18.0902 -18.0902 -18.0246 -18.0246 -1.4591 -1.4591 -1.1080 -1.1080 1.3035 1.3035 5.5259 5.5259 6.7730 6.7730 6.8394 6.8394 9.7433 9.7433 9.8847 9.8847 10.3423 10.3423 10.3768 10.3768 10.8360 10.8360 10.9005 10.9005 12.1647 12.1647 12.4098 12.4098 13.2447 13.2447 14.5283 14.5283 14.5556 14.5556 k = 0.5258 0.0310-0.0613 ( 2962 PWs) bands (ev): -42.9611 -42.9611 -42.7465 -42.7465 -20.6199 -20.6199 -20.1908 -20.1908 -18.6964 -18.6964 -18.3139 -18.3139 -18.0875 -18.0875 -18.0248 -18.0248 -1.4738 -1.4738 -1.1164 -1.1164 1.3088 1.3088 5.5061 5.5061 6.7805 6.7805 6.8290 6.8290 9.8024 9.8024 9.8624 9.8624 10.3408 10.3408 10.3739 10.3739 10.8711 10.8711 10.9244 10.9244 12.2071 12.2071 12.3949 12.3949 13.2199 13.2199 14.5181 14.5181 14.5433 14.5433 k = 0.5206 0.0440-0.0377 ( 2958 PWs) bands (ev): -42.9617 -42.9617 -42.7465 -42.7465 -20.6196 -20.6196 -20.1887 -20.1887 -18.6963 -18.6963 -18.3107 -18.3107 -18.0853 -18.0853 -18.0250 -18.0250 -1.4860 -1.4860 -1.1233 -1.1233 1.3131 1.3131 5.4898 5.4898 6.7867 6.7867 6.8209 6.8209 9.8371 9.8371 9.8614 9.8614 10.3364 10.3364 10.3698 10.3698 10.8990 10.8990 10.9479 10.9479 12.2427 12.2427 12.3828 12.3828 13.1975 13.1975 14.5093 14.5093 14.5332 14.5332 k = 0.5155 0.0569-0.0141 ( 2954 PWs) bands (ev): -42.9621 -42.9621 -42.7465 -42.7465 -20.6194 -20.6194 -20.1870 -20.1870 -18.6962 -18.6962 -18.3082 -18.3082 -18.0836 -18.0836 -18.0252 -18.0252 -1.4955 -1.4955 -1.1287 -1.1287 1.3165 1.3165 5.4771 5.4771 6.7911 6.7911 6.8152 6.8152 9.8243 9.8243 9.9035 9.9035 10.3310 10.3310 10.3644 10.3644 10.9205 10.9205 10.9688 10.9688 12.2688 12.2688 12.3758 12.3758 13.1786 13.1786 14.5017 14.5017 14.5253 14.5253 k = 0.5103 0.0699 0.0095 ( 2952 PWs) bands (ev): -42.9625 -42.9625 -42.7465 -42.7465 -20.6193 -20.6193 -20.1858 -20.1858 -18.6962 -18.6962 -18.3064 -18.3064 -18.0824 -18.0824 -18.0253 -18.0253 -1.5022 -1.5022 -1.1325 -1.1325 1.3189 1.3189 5.4680 5.4680 6.7933 6.7933 6.8122 6.8122 9.8131 9.8131 9.9381 9.9381 10.3259 10.3259 10.3590 10.3590 10.9358 10.9358 10.9848 10.9848 12.2839 12.2839 12.3751 12.3751 13.1639 13.1639 14.4956 14.4956 14.5196 14.5196 k = 0.5052 0.0829 0.0331 ( 2954 PWs) bands (ev): -42.9628 -42.9628 -42.7465 -42.7465 -20.6192 -20.6192 -20.1851 -20.1851 -18.6961 -18.6961 -18.3053 -18.3053 -18.0817 -18.0817 -18.0253 -18.0253 -1.5063 -1.5063 -1.1348 -1.1348 1.3204 1.3204 5.4625 5.4625 6.7939 6.7939 6.8112 6.8112 9.8062 9.8062 9.9604 9.9604 10.3219 10.3219 10.3552 10.3552 10.9451 10.9451 10.9948 10.9948 12.2900 12.2900 12.3779 12.3779 13.1546 13.1546 14.4915 14.4915 14.5162 14.5162 k = 0.5000 0.0958 0.0567 ( 2958 PWs) bands (ev): -42.9629 -42.9629 -42.7465 -42.7465 -20.6192 -20.6192 -20.1848 -20.1848 -18.6961 -18.6961 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.5077 -1.5077 -1.1356 -1.1356 1.3209 1.3209 5.4607 5.4607 6.7939 6.7939 6.8111 6.8111 9.8039 9.8039 9.9681 9.9681 10.3204 10.3204 10.3538 10.3538 10.9482 10.9482 10.9982 10.9982 12.2913 12.2913 12.3796 12.3796 13.1514 13.1514 14.4901 14.4901 14.5150 14.5150 k = 0.5000 0.0958 0.0567 ( 2958 PWs) bands (ev): -42.9629 -42.9629 -42.7465 -42.7465 -20.6192 -20.6192 -20.1848 -20.1848 -18.6961 -18.6961 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.5077 -1.5077 -1.1356 -1.1356 1.3209 1.3209 5.4607 5.4607 6.7939 6.7939 6.8111 6.8111 9.8039 9.8039 9.9681 9.9681 10.3204 10.3204 10.3538 10.3538 10.9482 10.9482 10.9982 10.9982 12.2913 12.2913 12.3796 12.3796 13.1514 13.1514 14.4901 14.4901 14.5150 14.5150 k = 0.4737 0.0908 0.0537 ( 2964 PWs) bands (ev): -42.9629 -42.9629 -42.7467 -42.7467 -20.6192 -20.6192 -20.1848 -20.1848 -18.6961 -18.6961 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.5092 -1.5092 -1.1336 -1.1336 1.3200 1.3200 5.4622 5.4622 6.7939 6.7939 6.8111 6.8111 9.7511 9.7511 10.0220 10.0220 10.3203 10.3203 10.3537 10.3537 10.9482 10.9482 10.9982 10.9982 12.2917 12.2917 12.3800 12.3800 13.1502 13.1502 14.4900 14.4900 14.5150 14.5150 k = 0.4474 0.0857 0.0507 ( 2958 PWs) bands (ev): -42.9629 -42.9629 -42.7465 -42.7465 -20.6192 -20.6192 -20.1848 -20.1848 -18.6961 -18.6961 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.5136 -1.5136 -1.1277 -1.1277 1.3173 1.3173 5.4667 5.4667 6.7939 6.7939 6.8111 6.8111 9.6580 9.6580 10.1183 10.1183 10.3199 10.3199 10.3536 10.3536 10.9483 10.9483 10.9982 10.9982 12.2928 12.2928 12.3810 12.3810 13.1467 13.1467 14.4901 14.4901 14.5150 14.5150 k = 0.4211 0.0807 0.0477 ( 2958 PWs) bands (ev): -42.9629 -42.9629 -42.7465 -42.7465 -20.6192 -20.6192 -20.1848 -20.1848 -18.6961 -18.6961 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.5205 -1.5205 -1.1183 -1.1183 1.3128 1.3128 5.4742 5.4742 6.7939 6.7939 6.8112 6.8112 9.5592 9.5592 10.2219 10.2219 10.3193 10.3193 10.3538 10.3538 10.9483 10.9483 10.9982 10.9982 12.2946 12.2946 12.3828 12.3828 13.1408 13.1408 14.4901 14.4901 14.5149 14.5149 k = 0.3947 0.0757 0.0448 ( 2958 PWs) bands (ev): -42.9629 -42.9629 -42.7465 -42.7465 -20.6192 -20.6192 -20.1848 -20.1848 -18.6961 -18.6961 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.5295 -1.5295 -1.1059 -1.1059 1.3068 1.3068 5.4845 5.4845 6.7940 6.7940 6.8112 6.8112 9.4605 9.4605 10.3186 10.3186 10.3215 10.3215 10.3600 10.3600 10.9484 10.9484 10.9982 10.9982 12.2970 12.2970 12.3853 12.3853 13.1327 13.1327 14.4902 14.4902 14.5148 14.5148 k = 0.3684 0.0706 0.0418 ( 2952 PWs) bands (ev): -42.9629 -42.9629 -42.7464 -42.7464 -20.6192 -20.6192 -20.1848 -20.1848 -18.6961 -18.6961 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.5399 -1.5399 -1.0912 -1.0912 1.2993 1.2993 5.4973 5.4973 6.7940 6.7940 6.8112 6.8112 9.3638 9.3638 10.3176 10.3176 10.3468 10.3468 10.4404 10.4404 10.9485 10.9485 10.9982 10.9982 12.3001 12.3001 12.3883 12.3883 13.1222 13.1222 14.4903 14.4903 14.5147 14.5147 k = 0.3421 0.0656 0.0388 ( 2961 PWs) bands (ev): -42.9629 -42.9629 -42.7465 -42.7465 -20.6192 -20.6192 -20.1848 -20.1848 -18.6961 -18.6961 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.5514 -1.5514 -1.0749 -1.0749 1.2906 1.2906 5.5123 5.5123 6.7941 6.7941 6.8113 6.8113 9.2700 9.2700 10.3165 10.3165 10.3471 10.3471 10.5448 10.5448 10.9486 10.9486 10.9982 10.9982 12.3036 12.3036 12.3918 12.3918 13.1096 13.1096 14.4903 14.4903 14.5145 14.5145 k = 0.3158 0.0605 0.0358 ( 2958 PWs) bands (ev): -42.9628 -42.9628 -42.7466 -42.7466 -20.6192 -20.6192 -20.1848 -20.1848 -18.6962 -18.6962 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.5633 -1.5633 -1.0574 -1.0574 1.2808 1.2808 5.5292 5.5292 6.7941 6.7941 6.8113 6.8113 9.1798 9.1798 10.3152 10.3152 10.3462 10.3462 10.6485 10.6485 10.9488 10.9488 10.9982 10.9982 12.3075 12.3075 12.3957 12.3957 13.0949 13.0949 14.4904 14.4904 14.5144 14.5144 k = 0.2895 0.0555 0.0328 ( 2960 PWs) bands (ev): -42.9628 -42.9628 -42.7467 -42.7467 -20.6192 -20.6192 -20.1848 -20.1848 -18.6962 -18.6962 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.5753 -1.5753 -1.0394 -1.0394 1.2703 1.2703 5.5477 5.5477 6.7942 6.7942 6.8114 6.8114 9.0937 9.0937 10.3139 10.3139 10.3449 10.3449 10.7499 10.7499 10.9491 10.9491 10.9982 10.9982 12.3118 12.3118 12.4000 12.4000 13.0783 13.0783 14.4905 14.4905 14.5142 14.5142 k = 0.2632 0.0504 0.0298 ( 2966 PWs) bands (ev): -42.9629 -42.9629 -42.7467 -42.7467 -20.6192 -20.6192 -20.1848 -20.1848 -18.6962 -18.6962 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.5871 -1.5871 -1.0212 -1.0212 1.2593 1.2593 5.5672 5.5672 6.7942 6.7942 6.8115 6.8115 9.0124 9.0124 10.3125 10.3125 10.3435 10.3435 10.8477 10.8477 10.9498 10.9498 10.9982 10.9982 12.3163 12.3163 12.4044 12.4044 13.0599 13.0599 14.4906 14.4906 14.5141 14.5141 k = 0.2368 0.0454 0.0269 ( 2975 PWs) bands (ev): -42.9630 -42.9630 -42.7468 -42.7468 -20.6192 -20.6192 -20.1848 -20.1848 -18.6962 -18.6962 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.5983 -1.5983 -1.0035 -1.0035 1.2480 1.2480 5.5872 5.5872 6.7943 6.7943 6.8115 6.8115 8.9364 8.9364 10.3111 10.3111 10.3420 10.3420 10.9341 10.9341 10.9578 10.9578 10.9981 10.9981 12.3208 12.3208 12.4088 12.4088 13.0401 13.0401 14.4908 14.4908 14.5139 14.5139 k = 0.2105 0.0404 0.0239 ( 2972 PWs) bands (ev): -42.9630 -42.9630 -42.7468 -42.7468 -20.6192 -20.6192 -20.1848 -20.1848 -18.6962 -18.6962 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.6089 -1.6089 -0.9864 -0.9864 1.2369 1.2369 5.6073 5.6073 6.7944 6.7944 6.8116 6.8116 8.8664 8.8664 10.3097 10.3097 10.3405 10.3405 10.9470 10.9470 10.9981 10.9981 11.0342 11.0342 12.3254 12.3254 12.4133 12.4133 13.0193 13.0193 14.4909 14.4909 14.5138 14.5138 k = 0.1842 0.0353 0.0209 ( 2978 PWs) bands (ev): -42.9630 -42.9630 -42.7468 -42.7468 -20.6192 -20.6192 -20.1848 -20.1848 -18.6962 -18.6962 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.6185 -1.6185 -0.9705 -0.9705 1.2262 1.2262 5.6268 5.6268 6.7944 6.7944 6.8117 6.8117 8.8027 8.8027 10.3083 10.3083 10.3391 10.3391 10.9479 10.9479 10.9981 10.9981 11.1167 11.1167 12.3298 12.3298 12.4175 12.4175 12.9979 12.9979 14.4911 14.4911 14.5137 14.5137 k = 0.1579 0.0303 0.0179 ( 2990 PWs) bands (ev): -42.9631 -42.9631 -42.7470 -42.7470 -20.6192 -20.6192 -20.1848 -20.1848 -18.6962 -18.6962 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.6271 -1.6271 -0.9559 -0.9559 1.2162 1.2162 5.6453 5.6453 6.7945 6.7945 6.8117 6.8117 8.7461 8.7461 10.3071 10.3071 10.3377 10.3377 10.9482 10.9482 10.9981 10.9981 11.1925 11.1925 12.3339 12.3339 12.4215 12.4215 12.9767 12.9767 14.4912 14.4912 14.5136 14.5136 k = 0.1316 0.0252 0.0149 ( 2996 PWs) bands (ev): -42.9632 -42.9632 -42.7470 -42.7470 -20.6192 -20.6192 -20.1848 -20.1848 -18.6962 -18.6962 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.6346 -1.6346 -0.9431 -0.9431 1.2072 1.2072 5.6620 5.6620 6.7945 6.7945 6.8118 6.8118 8.6970 8.6970 10.3060 10.3060 10.3365 10.3365 10.9483 10.9483 10.9981 10.9981 11.2600 11.2600 12.3376 12.3376 12.4250 12.4250 12.9562 12.9562 14.4913 14.4913 14.5135 14.5135 k = 0.1053 0.0202 0.0119 ( 2996 PWs) bands (ev): -42.9632 -42.9632 -42.7470 -42.7470 -20.6192 -20.6192 -20.1848 -20.1848 -18.6962 -18.6962 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.6408 -1.6408 -0.9323 -0.9323 1.1994 1.1994 5.6766 5.6766 6.7946 6.7946 6.8118 6.8118 8.6561 8.6561 10.3051 10.3051 10.3355 10.3355 10.9484 10.9484 10.9981 10.9981 11.3177 11.3177 12.3409 12.3409 12.4281 12.4281 12.9376 12.9376 14.4914 14.4914 14.5134 14.5134 k = 0.0789 0.0151 0.0090 ( 2996 PWs) bands (ev): -42.9632 -42.9632 -42.7470 -42.7470 -20.6192 -20.6192 -20.1848 -20.1848 -18.6962 -18.6962 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.6457 -1.6457 -0.9236 -0.9236 1.1931 1.1931 5.6885 5.6885 6.7946 6.7946 6.8119 6.8119 8.6237 8.6237 10.3043 10.3043 10.3346 10.3346 10.9485 10.9485 10.9981 10.9981 11.3645 11.3645 12.3436 12.3436 12.4305 12.4305 12.9217 12.9217 14.4915 14.4915 14.5134 14.5134 k = 0.0526 0.0101 0.0060 ( 2996 PWs) bands (ev): -42.9632 -42.9632 -42.7470 -42.7470 -20.6192 -20.6192 -20.1848 -20.1848 -18.6962 -18.6962 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.6492 -1.6492 -0.9173 -0.9173 1.1885 1.1885 5.6973 5.6973 6.7946 6.7946 6.8119 6.8119 8.6003 8.6003 10.3037 10.3037 10.3340 10.3340 10.9486 10.9486 10.9981 10.9981 11.3989 11.3989 12.3455 12.3455 12.4323 12.4323 12.9094 12.9094 14.4916 14.4916 14.5134 14.5134 k = 0.0263 0.0050 0.0030 ( 2996 PWs) bands (ev): -42.9632 -42.9632 -42.7470 -42.7470 -20.6192 -20.6192 -20.1848 -20.1848 -18.6962 -18.6962 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.6514 -1.6514 -0.9134 -0.9134 1.1857 1.1857 5.7028 5.7028 6.7946 6.7946 6.8119 6.8119 8.5861 8.5861 10.3034 10.3034 10.3336 10.3336 10.9486 10.9486 10.9981 10.9981 11.4201 11.4201 12.3468 12.3468 12.4335 12.4335 12.9016 12.9016 14.4916 14.4916 14.5133 14.5133 k = 0.0000 0.0000 0.0000 ( 2993 PWs) bands (ev): -42.9632 -42.9632 -42.7470 -42.7470 -20.6192 -20.6192 -20.1848 -20.1848 -18.6962 -18.6962 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.6521 -1.6521 -0.9122 -0.9122 1.1847 1.1847 5.7046 5.7046 6.7947 6.7947 6.8119 6.8119 8.5813 8.5813 10.3033 10.3033 10.3335 10.3335 10.9486 10.9486 10.9981 10.9981 11.4272 11.4272 12.3472 12.3472 12.4338 12.4338 12.8990 12.8990 14.4917 14.4917 14.5133 14.5133 k = 0.0000 0.0000 0.0000 ( 2993 PWs) bands (ev): -42.9632 -42.9632 -42.7470 -42.7470 -20.6192 -20.6192 -20.1848 -20.1848 -18.6962 -18.6962 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.6521 -1.6521 -0.9122 -0.9122 1.1847 1.1847 5.7046 5.7046 6.7947 6.7947 6.8119 6.8119 8.5813 8.5813 10.3033 10.3033 10.3335 10.3335 10.9486 10.9486 10.9981 10.9981 11.4272 11.4272 12.3472 12.3472 12.4338 12.4338 12.8990 12.8990 14.4917 14.4917 14.5133 14.5133 k = 0.0052-0.0130-0.0237 ( 2993 PWs) bands (ev): -42.9631 -42.9631 -42.7470 -42.7470 -20.6193 -20.6193 -20.1851 -20.1851 -18.6962 -18.6962 -18.3053 -18.3053 -18.0818 -18.0818 -18.0253 -18.0253 -1.6507 -1.6507 -0.9114 -0.9114 1.1845 1.1845 5.7064 5.7064 6.7938 6.7938 6.8114 6.8114 8.5853 8.5853 10.2995 10.2995 10.3307 10.3307 10.9445 10.9445 10.9933 10.9933 11.4305 11.4305 12.3447 12.3447 12.4310 12.4310 12.9036 12.9036 14.4928 14.4928 14.5143 14.5143 k = 0.0104-0.0261-0.0475 ( 2993 PWs) bands (ev): -42.9629 -42.9629 -42.7470 -42.7470 -20.6193 -20.6193 -20.1858 -20.1858 -18.6963 -18.6963 -18.3064 -18.3064 -18.0825 -18.0825 -18.0252 -18.0252 -1.6467 -1.6467 -0.9092 -0.9092 1.1837 1.1837 5.7118 5.7118 6.7896 6.7896 6.8116 6.8116 8.5971 8.5971 10.2836 10.2836 10.3272 10.3272 10.9323 10.9323 10.9797 10.9797 11.4399 11.4399 12.3349 12.3349 12.4257 12.4257 12.9167 12.9167 14.4958 14.4958 14.5173 14.5173 k = 0.0156-0.0391-0.0712 ( 2993 PWs) bands (ev): -42.9625 -42.9625 -42.7470 -42.7470 -20.6195 -20.6195 -20.1870 -20.1870 -18.6963 -18.6963 -18.3083 -18.3083 -18.0837 -18.0837 -18.0251 -18.0251 -1.6400 -1.6400 -0.9055 -0.9055 1.1824 1.1824 5.7208 5.7208 6.7802 6.7802 6.8147 6.8147 8.6163 8.6163 10.2515 10.2515 10.3280 10.3280 10.9120 10.9120 10.9582 10.9582 11.4537 11.4537 12.3132 12.3132 12.4242 12.4242 12.9363 12.9363 14.4997 14.4997 14.5233 14.5233 k = 0.0208-0.0522-0.0950 ( 2989 PWs) bands (ev): -42.9619 -42.9619 -42.7469 -42.7469 -20.6197 -20.6197 -20.1887 -20.1887 -18.6964 -18.6964 -18.3108 -18.3108 -18.0854 -18.0854 -18.0250 -18.0250 -1.6306 -1.6306 -0.9004 -0.9004 1.1805 1.1805 5.7333 5.7333 6.7659 6.7659 6.8208 6.8208 8.6425 8.6425 10.2057 10.2057 10.3317 10.3317 10.8842 10.8842 10.9302 10.9302 11.4699 11.4699 12.2788 12.2788 12.4288 12.4288 12.9604 12.9604 14.5039 14.5039 14.5329 14.5329 k = 0.0260-0.0652-0.1187 ( 2987 PWs) bands (ev): -42.9612 -42.9612 -42.7469 -42.7469 -20.6199 -20.6199 -20.1909 -20.1909 -18.6965 -18.6965 -18.3140 -18.3140 -18.0876 -18.0876 -18.0248 -18.0248 -1.6186 -1.6186 -0.8939 -0.8939 1.1782 1.1782 5.7494 5.7494 6.7480 6.7480 6.8292 6.8292 8.6749 8.6749 10.1489 10.1489 10.3371 10.3371 10.8495 10.8495 10.8962 10.8962 11.4867 11.4867 12.2351 12.2351 12.4378 12.4378 12.9872 12.9872 14.5083 14.5083 14.5459 14.5459 k = 0.0312-0.0783-0.1424 ( 2981 PWs) bands (ev): -42.9603 -42.9603 -42.7468 -42.7468 -20.6202 -20.6202 -20.1936 -20.1936 -18.6966 -18.6966 -18.3179 -18.3179 -18.0903 -18.0903 -18.0245 -18.0245 -1.6039 -1.6039 -0.8859 -0.8859 1.1753 1.1753 5.7689 5.7689 6.7272 6.7272 6.8399 6.8399 8.7126 8.7126 10.0831 10.0831 10.3434 10.3434 10.8093 10.8093 10.8567 10.8567 11.5025 11.5025 12.1851 12.1851 12.4486 12.4486 13.0156 13.0156 14.5137 14.5137 14.5623 14.5623 k = 0.0363-0.0913-0.1662 ( 2981 PWs) bands (ev): -42.9593 -42.9593 -42.7468 -42.7468 -20.6206 -20.6206 -20.1967 -20.1967 -18.6968 -18.6968 -18.3224 -18.3224 -18.0935 -18.0935 -18.0242 -18.0242 -1.5867 -1.5867 -0.8765 -0.8765 1.1718 1.1718 5.7918 5.7918 6.7045 6.7045 6.8525 6.8525 8.7549 8.7549 10.0100 10.0100 10.3500 10.3500 10.7647 10.7647 10.8120 10.8120 11.5161 11.5161 12.1314 12.1314 12.4594 12.4594 13.0447 13.0447 14.5205 14.5205 14.5821 14.5821 k = 0.0415-0.1044-0.1899 ( 2981 PWs) bands (ev): -42.9582 -42.9582 -42.7468 -42.7468 -20.6210 -20.6210 -20.2003 -20.2003 -18.6970 -18.6970 -18.3276 -18.3276 -18.0972 -18.0972 -18.0239 -18.0239 -1.5670 -1.5670 -0.8658 -0.8658 1.1679 1.1679 5.8181 5.8181 6.6805 6.6805 6.8671 6.8671 8.8008 8.8008 9.9311 9.9311 10.3559 10.3559 10.7167 10.7167 10.7626 10.7626 11.5267 11.5267 12.0754 12.0754 12.4688 12.4688 13.0744 13.0744 14.5292 14.5292 14.6056 14.6056 k = 0.0467-0.1174-0.2136 ( 2979 PWs) bands (ev): -42.9569 -42.9569 -42.7468 -42.7468 -20.6215 -20.6215 -20.2043 -20.2043 -18.6972 -18.6972 -18.3332 -18.3332 -18.1015 -18.1015 -18.0235 -18.0235 -1.5449 -1.5449 -0.8537 -0.8537 1.1634 1.1634 5.8476 5.8476 6.6559 6.6559 6.8836 6.8836 8.8494 8.8494 9.8476 9.8476 10.3599 10.3599 10.6665 10.6665 10.7097 10.7097 11.5334 11.5334 12.0186 12.0186 12.4755 12.4755 13.1045 13.1045 14.5402 14.5402 14.6329 14.6329 k = 0.0519-0.1305-0.2374 ( 2975 PWs) bands (ev): -42.9554 -42.9554 -42.7468 -42.7468 -20.6220 -20.6220 -20.2088 -20.2088 -18.6974 -18.6974 -18.3394 -18.3394 -18.1062 -18.1062 -18.0231 -18.0231 -1.5203 -1.5203 -0.8403 -0.8403 1.1583 1.1583 5.8802 5.8802 6.6314 6.6314 6.9019 6.9019 8.8997 8.8997 9.7605 9.7605 10.3598 10.3598 10.6145 10.6145 10.6556 10.6556 11.5360 11.5360 11.9621 11.9621 12.4789 12.4789 13.1352 13.1352 14.5538 14.5538 14.6643 14.6643 k = 0.0571-0.1435-0.2611 ( 2971 PWs) bands (ev): -42.9538 -42.9538 -42.7468 -42.7468 -20.6226 -20.6226 -20.2137 -20.2137 -18.6976 -18.6976 -18.3460 -18.3460 -18.1113 -18.1113 -18.0228 -18.0228 -1.4934 -1.4934 -0.8256 -0.8256 1.1528 1.1528 5.9160 5.9160 6.6074 6.6074 6.9221 6.9221 8.9507 8.9507 9.6709 9.6709 10.3517 10.3517 10.5607 10.5607 10.6046 10.6046 11.5339 11.5339 11.9069 11.9069 12.4782 12.4782 13.1665 13.1665 14.5704 14.5704 14.6998 14.6998 k = 0.0623-0.1566-0.2849 ( 2977 PWs) bands (ev): -42.9522 -42.9522 -42.7468 -42.7468 -20.6232 -20.6232 -20.2191 -20.2191 -18.6979 -18.6979 -18.3531 -18.3531 -18.1169 -18.1169 -18.0224 -18.0224 -1.4642 -1.4642 -0.8097 -0.8097 1.1467 1.1467 5.9546 5.9546 6.5846 6.5846 6.9439 6.9439 9.0015 9.0015 9.5795 9.5795 10.3305 10.3305 10.5051 10.5051 10.5628 10.5628 11.5270 11.5270 11.8539 11.8539 12.4734 12.4734 13.1988 13.1988 14.5901 14.5901 14.7395 14.7395 k = 0.0675-0.1696-0.3086 ( 2979 PWs) bands (ev): -42.9504 -42.9504 -42.7468 -42.7468 -20.6239 -20.6239 -20.2249 -20.2249 -18.6982 -18.6982 -18.3606 -18.3606 -18.1229 -18.1229 -18.0222 -18.0222 -1.4328 -1.4328 -0.7926 -0.7926 1.1401 1.1401 5.9961 5.9961 6.5632 6.5632 6.9674 6.9674 9.0508 9.0508 9.4870 9.4870 10.2920 10.2920 10.4489 10.4489 10.5339 10.5339 11.5150 11.5150 11.8042 11.8042 12.4644 12.4644 13.2324 13.2324 14.6129 14.6129 14.7831 14.7831 k = 0.0727-0.1826-0.3323 ( 2989 PWs) bands (ev): -42.9485 -42.9485 -42.7470 -42.7470 -20.6246 -20.6246 -20.2310 -20.2310 -18.6985 -18.6985 -18.3684 -18.3684 -18.1293 -18.1293 -18.0220 -18.0220 -1.3994 -1.3994 -0.7743 -0.7743 1.1331 1.1331 6.0403 6.0403 6.5437 6.5437 6.9924 6.9924 9.0973 9.0973 9.3941 9.3941 10.2371 10.2371 10.3937 10.3937 10.5162 10.5162 11.4979 11.4979 11.7586 11.7586 12.4514 12.4514 13.2676 13.2676 14.6390 14.6390 14.8304 14.8304 k = 0.0779-0.1957-0.3561 ( 2985 PWs) bands (ev): -42.9464 -42.9464 -42.7469 -42.7469 -20.6254 -20.6254 -20.2376 -20.2376 -18.6988 -18.6988 -18.3765 -18.3765 -18.1359 -18.1359 -18.0219 -18.0219 -1.3639 -1.3639 -0.7550 -0.7550 1.1256 1.1256 6.0870 6.0870 6.5263 6.5263 7.0190 7.0190 9.1391 9.1391 9.3015 9.3015 10.1713 10.1713 10.3400 10.3400 10.5047 10.5047 11.4754 11.4754 11.7181 11.7181 12.4349 12.4349 13.3044 13.3044 14.6685 14.6685 14.8808 14.8808 k = 0.0831-0.2087-0.3798 ( 2979 PWs) bands (ev): -42.9442 -42.9442 -42.7469 -42.7469 -20.6262 -20.6262 -20.2445 -20.2445 -18.6991 -18.6991 -18.3849 -18.3849 -18.1429 -18.1429 -18.0219 -18.0219 -1.3266 -1.3266 -0.7346 -0.7346 1.1177 1.1177 6.1361 6.1361 6.5114 6.5114 7.0470 7.0470 9.1697 9.1697 9.2146 9.2146 10.1004 10.1004 10.2880 10.2880 10.4948 10.4948 11.4475 11.4475 11.6838 11.6838 12.4154 12.4154 13.3433 13.3433 14.7012 14.7012 14.9337 14.9337 k = 0.0883-0.2218-0.4036 ( 2977 PWs) bands (ev): -42.9418 -42.9418 -42.7470 -42.7470 -20.6270 -20.6270 -20.2518 -20.2518 -18.6995 -18.6995 -18.3935 -18.3935 -18.1501 -18.1501 -18.0220 -18.0220 -1.2874 -1.2874 -0.7132 -0.7132 1.1095 1.1095 6.1873 6.1873 6.4991 6.4991 7.0762 7.0762 9.1113 9.1113 9.2087 9.2087 10.0294 10.0294 10.2378 10.2378 10.4838 10.4838 11.4142 11.4142 11.6565 11.6565 12.3936 12.3936 13.3842 13.3842 14.7372 14.7372 14.9885 14.9885 k = 0.0935-0.2348-0.4273 ( 2977 PWs) bands (ev): -42.9394 -42.9394 -42.7471 -42.7471 -20.6279 -20.6279 -20.2594 -20.2594 -18.6999 -18.6999 -18.4023 -18.4023 -18.1575 -18.1575 -18.0223 -18.0223 -1.2466 -1.2466 -0.6908 -0.6908 1.1010 1.1010 6.2405 6.2405 6.4896 6.4896 7.1067 7.1067 9.0217 9.0217 9.2233 9.2233 9.9625 9.9625 10.1895 10.1895 10.4698 10.4698 11.3755 11.3755 11.6368 11.6368 12.3701 12.3701 13.4274 13.4274 14.7764 14.7764 15.0441 15.0441 k = 0.0986-0.2479-0.4510 ( 2973 PWs) bands (ev): -42.9369 -42.9369 -42.7471 -42.7471 -20.6289 -20.6289 -20.2673 -20.2673 -18.7004 -18.7004 -18.4113 -18.4113 -18.1651 -18.1651 -18.0227 -18.0227 -1.2042 -1.2042 -0.6676 -0.6676 1.0922 1.0922 6.2956 6.2956 6.4830 6.4830 7.1382 7.1382 8.9323 8.9323 9.2238 9.2238 9.9040 9.9040 10.1433 10.1433 10.4524 10.4524 11.3313 11.3313 11.6254 11.6254 12.3456 12.3456 13.4728 13.4728 14.8188 14.8188 15.0992 15.0992 k = 0.1038-0.2609-0.4748 ( 2971 PWs) bands (ev): -42.9342 -42.9342 -42.7472 -42.7472 -20.6298 -20.6298 -20.2755 -20.2755 -18.7009 -18.7009 -18.4203 -18.4203 -18.1728 -18.1728 -18.0234 -18.0234 -1.1604 -1.1604 -0.6436 -0.6436 1.0833 1.0833 6.3520 6.3520 6.4796 6.4796 7.1706 7.1706 8.8443 8.8443 9.2061 9.2061 9.8572 9.8572 10.0993 10.0993 10.4314 10.4314 11.2820 11.2820 11.6223 11.6223 12.3204 12.3204 13.5205 13.5205 14.8642 14.8642 15.1519 15.1519 k = 0.1090-0.2740-0.4985 ( 2969 PWs) bands (ev): -42.9315 -42.9315 -42.7474 -42.7474 -20.6308 -20.6308 -20.2840 -20.2840 -18.7015 -18.7015 -18.4294 -18.4294 -18.1806 -18.1806 -18.0241 -18.0241 -1.1153 -1.1153 -0.6188 -0.6188 1.0742 1.0742 6.4092 6.4092 6.4799 6.4799 7.2038 7.2038 8.7581 8.7581 9.1686 9.1686 9.8232 9.8232 10.0576 10.0576 10.4075 10.4075 11.2279 11.2279 11.6272 11.6272 12.2953 12.2953 13.5704 13.5704 14.9125 14.9125 15.1995 15.1995 k = 0.1142-0.2870-0.5222 ( 2967 PWs) bands (ev): -42.9286 -42.9286 -42.7476 -42.7476 -20.6318 -20.6318 -20.2927 -20.2927 -18.7021 -18.7021 -18.4386 -18.4386 -18.1885 -18.1885 -18.0251 -18.0251 -1.0691 -1.0691 -0.5933 -0.5933 1.0652 1.0652 6.4616 6.4616 6.4890 6.4890 7.2376 7.2376 8.6742 8.6742 9.1129 9.1129 9.8000 9.8000 10.0183 10.0183 10.3818 10.3818 11.1694 11.1694 11.6397 11.6397 12.2704 12.2704 13.6224 13.6224 14.9635 14.9635 15.2384 15.2384 k = 0.1194-0.3001-0.5460 ( 2973 PWs) bands (ev): -42.9258 -42.9258 -42.7479 -42.7479 -20.6328 -20.6328 -20.3017 -20.3017 -18.7028 -18.7028 -18.4477 -18.4477 -18.1964 -18.1964 -18.0262 -18.0262 -1.0218 -1.0218 -0.5671 -0.5671 1.0563 1.0563 6.4809 6.4809 6.5352 6.5352 7.2718 7.2718 8.5927 8.5927 9.0426 9.0426 9.7835 9.7835 9.9814 9.9814 10.3558 10.3558 11.1070 11.1070 11.6588 11.6588 12.2462 12.2462 13.6764 13.6764 15.0172 15.0172 15.2487 15.2487 k = 0.1246-0.3131-0.5697 ( 2971 PWs) bands (ev): -42.9228 -42.9228 -42.7481 -42.7481 -20.6338 -20.6338 -20.3109 -20.3109 -18.7037 -18.7037 -18.4568 -18.4568 -18.2043 -18.2043 -18.0276 -18.0276 -0.9738 -0.9738 -0.5404 -0.5404 1.0476 1.0476 6.4903 6.4903 6.5949 6.5949 7.3061 7.3061 8.5141 8.5141 8.9618 8.9618 9.7689 9.7689 9.9469 9.9469 10.3311 10.3311 11.0413 11.0413 11.6839 11.6839 12.2229 12.2229 13.7321 13.7321 15.0727 15.0727 15.2121 15.2121 k = 0.1298-0.3262-0.5935 ( 2973 PWs) bands (ev): -42.9197 -42.9197 -42.7485 -42.7485 -20.6348 -20.6348 -20.3203 -20.3203 -18.7046 -18.7046 -18.4658 -18.4658 -18.2122 -18.2122 -18.0291 -18.0291 -0.9250 -0.9250 -0.5132 -0.5132 1.0392 1.0392 6.5013 6.5013 6.6562 6.6562 7.3402 7.3402 8.4386 8.4386 8.8739 8.8739 9.7522 9.7522 9.9147 9.9147 10.3092 10.3092 10.9729 10.9729 11.7141 11.7141 12.2008 12.2008 13.7893 13.7893 15.1256 15.1256 15.1756 15.1756 k = 0.1350-0.3392-0.6172 ( 2977 PWs) bands (ev): -42.9167 -42.9167 -42.7488 -42.7488 -20.6358 -20.6358 -20.3298 -20.3298 -18.7058 -18.7058 -18.4746 -18.4746 -18.2200 -18.2200 -18.0308 -18.0308 -0.8757 -0.8757 -0.4855 -0.4855 1.0312 1.0312 6.5145 6.5145 6.7181 6.7181 7.3739 7.3739 8.3668 8.3668 8.7817 8.7817 9.7308 9.7308 9.8844 9.8844 10.2913 10.2913 10.9023 10.9023 11.7485 11.7485 12.1801 12.1801 13.8477 13.8477 15.1177 15.1177 15.2004 15.2004 k = 0.1402-0.3522-0.6409 ( 2979 PWs) bands (ev): -42.9135 -42.9135 -42.7492 -42.7492 -20.6368 -20.6368 -20.3394 -20.3394 -18.7071 -18.7071 -18.4832 -18.4832 -18.2277 -18.2277 -18.0327 -18.0327 -0.8260 -0.8260 -0.4575 -0.4575 1.0238 1.0238 6.5300 6.5300 6.7801 6.7801 7.4066 7.4066 8.2990 8.2990 8.6872 8.6872 9.7032 9.7032 9.8557 9.8557 10.2777 10.2777 10.8302 10.8302 11.7863 11.7863 12.1610 12.1610 13.9068 13.9068 15.0755 15.0755 15.2602 15.2602 k = 0.1454-0.3653-0.6647 ( 2979 PWs) bands (ev): -42.9103 -42.9103 -42.7496 -42.7496 -20.6377 -20.6377 -20.3492 -20.3492 -18.7085 -18.7085 -18.4915 -18.4915 -18.2354 -18.2354 -18.0348 -18.0348 -0.7762 -0.7762 -0.4292 -0.4292 1.0171 1.0171 6.5474 6.5474 6.8418 6.8418 7.4378 7.4378 8.2361 8.2361 8.5919 8.5919 9.6693 9.6693 9.8283 9.8283 10.2682 10.2682 10.7571 10.7571 11.8268 11.8268 12.1437 12.1437 13.9661 13.9661 15.0314 15.0314 15.3196 15.3196 k = 0.1506-0.3783-0.6884 ( 2983 PWs) bands (ev): -42.9071 -42.9071 -42.7500 -42.7500 -20.6386 -20.6386 -20.3590 -20.3590 -18.7103 -18.7103 -18.4995 -18.4995 -18.2429 -18.2429 -18.0371 -18.0371 -0.7265 -0.7265 -0.4006 -0.4006 1.0111 1.0111 6.5667 6.5667 6.9030 6.9030 7.4667 7.4667 8.1788 8.1788 8.4969 8.4969 9.6297 9.6297 9.8017 9.8017 10.2619 10.2619 10.6837 10.6837 11.8693 11.8693 12.1286 12.1286 14.0253 14.0253 14.9875 14.9875 15.3619 15.3619 k = 0.1558-0.3914-0.7122 ( 2981 PWs) bands (ev): -42.9037 -42.9037 -42.7505 -42.7505 -20.6395 -20.6395 -20.3689 -20.3689 -18.7123 -18.7123 -18.5071 -18.5071 -18.2502 -18.2502 -18.0395 -18.0395 -0.6769 -0.6769 -0.3719 -0.3719 1.0061 1.0061 6.5875 6.5875 6.9632 6.9632 7.4924 7.4924 8.1285 8.1285 8.4033 8.4033 9.5853 9.5853 9.7756 9.7756 10.2575 10.2575 10.6104 10.6104 11.9133 11.9133 12.1159 12.1159 14.0836 14.0836 14.9445 14.9445 15.3830 15.3830 k = 0.1609-0.4044-0.7359 ( 2977 PWs) bands (ev): -42.9003 -42.9003 -42.7510 -42.7510 -20.6403 -20.6403 -20.3788 -20.3788 -18.7146 -18.7146 -18.5143 -18.5143 -18.2574 -18.2574 -18.0421 -18.0421 -0.6278 -0.6278 -0.3431 -0.3431 1.0021 1.0021 6.6093 6.6093 7.0221 7.0221 7.5136 7.5136 8.0865 8.0865 8.3118 8.3118 9.5373 9.5373 9.7495 9.7495 10.2540 10.2540 10.5379 10.5379 11.9581 11.9581 12.1059 12.1059 14.1404 14.1404 14.9033 14.9033 15.3971 15.3971 k = 0.1661-0.4175-0.7596 ( 2979 PWs) bands (ev): -42.8969 -42.8969 -42.7516 -42.7516 -20.6410 -20.6410 -20.3887 -20.3887 -18.7172 -18.7172 -18.5210 -18.5210 -18.2644 -18.2644 -18.0448 -18.0448 -0.5792 -0.5792 -0.3143 -0.3143 0.9992 0.9992 6.6318 6.6318 7.0791 7.0791 7.5290 7.5290 8.0545 8.0545 8.2234 8.2234 9.4867 9.4867 9.7230 9.7230 10.2501 10.2501 10.4667 10.4667 12.0031 12.0031 12.0989 12.0989 14.1947 14.1947 14.8646 14.8646 15.4080 15.4080 k = 0.1713-0.4305-0.7834 ( 2979 PWs) bands (ev): -42.8934 -42.8934 -42.7523 -42.7523 -20.6417 -20.6417 -20.3985 -20.3985 -18.7202 -18.7202 -18.5272 -18.5272 -18.2713 -18.2713 -18.0477 -18.0477 -0.5315 -0.5315 -0.2856 -0.2856 0.9975 0.9975 6.6545 6.6545 7.1335 7.1335 7.5374 7.5374 8.0340 8.0340 8.1388 8.1388 9.4345 9.4345 9.6955 9.6955 10.2446 10.2446 10.3977 10.3977 12.0475 12.0475 12.0954 12.0954 14.2457 14.2457 14.8291 14.8291 15.4162 15.4162 k = 0.1765-0.4436-0.8071 ( 2975 PWs) bands (ev): -42.8900 -42.8900 -42.7529 -42.7529 -20.6423 -20.6423 -20.4084 -20.4084 -18.7235 -18.7235 -18.5328 -18.5328 -18.2779 -18.2779 -18.0508 -18.0508 -0.4847 -0.4847 -0.2569 -0.2569 0.9972 0.9972 6.6767 6.6767 7.1844 7.1844 7.5388 7.5388 8.0244 8.0244 8.0604 8.0604 9.3814 9.3814 9.6667 9.6667 10.2356 10.2356 10.3324 10.3324 12.0849 12.0849 12.1016 12.1016 14.2921 14.2921 14.7977 14.7977 15.4216 15.4216 k = 0.1817-0.4566-0.8309 ( 2967 PWs) bands (ev): -42.8864 -42.8864 -42.7536 -42.7536 -20.6428 -20.6428 -20.4181 -20.4181 -18.7272 -18.7272 -18.5378 -18.5378 -18.2843 -18.2843 -18.0540 -18.0540 -0.4391 -0.4391 -0.2285 -0.2285 0.9982 0.9982 6.6978 6.6978 7.2303 7.2303 7.5351 7.5351 7.9799 7.9799 8.0342 8.0342 9.3283 9.3283 9.6361 9.6361 10.2174 10.2174 10.2764 10.2764 12.0940 12.0940 12.1385 12.1385 14.3327 14.3327 14.7716 14.7716 15.4240 15.4240 k = 0.1869-0.4697-0.8546 ( 2975 PWs) bands (ev): -42.8830 -42.8830 -42.7545 -42.7545 -20.6432 -20.6432 -20.4278 -20.4278 -18.7313 -18.7313 -18.5423 -18.5423 -18.2904 -18.2904 -18.0573 -18.0573 -0.3947 -0.3947 -0.2003 -0.2003 1.0007 1.0007 6.7170 6.7170 7.2686 7.2686 7.5300 7.5300 7.9117 7.9117 8.0483 8.0483 9.2757 9.2757 9.6033 9.6033 10.1772 10.1772 10.2422 10.2422 12.1007 12.1007 12.1798 12.1798 14.3661 14.3661 14.7518 14.7518 15.4233 15.4233 k = 0.1921-0.4827-0.8783 ( 2981 PWs) bands (ev): -42.8796 -42.8796 -42.7554 -42.7554 -20.6435 -20.6435 -20.4373 -20.4373 -18.7358 -18.7358 -18.5461 -18.5461 -18.2964 -18.2964 -18.0607 -18.0607 -0.3518 -0.3518 -0.1725 -0.1725 1.0046 1.0046 6.7337 6.7337 7.2957 7.2957 7.5292 7.5292 7.8492 7.8492 8.0720 8.0720 9.2241 9.2241 9.5683 9.5683 10.1224 10.1224 10.2223 10.2223 12.1105 12.1105 12.2197 12.2197 14.3910 14.3910 14.7391 14.7391 15.4195 15.4195 k = 0.1973-0.4958-0.9021 ( 2983 PWs) bands (ev): -42.8761 -42.8761 -42.7564 -42.7564 -20.6437 -20.6437 -20.4467 -20.4467 -18.7407 -18.7407 -18.5494 -18.5494 -18.3021 -18.3021 -18.0642 -18.0642 -0.3105 -0.3105 -0.1451 -0.1451 1.0099 1.0099 6.7471 6.7471 7.3082 7.3082 7.5381 7.5381 7.7940 7.7940 8.1025 8.1025 9.1741 9.1741 9.5309 9.5309 10.0656 10.0656 10.2041 10.2041 12.1234 12.1234 12.2575 12.2575 14.4069 14.4069 14.7338 14.7338 15.4127 15.4127 k = 0.2025-0.5088-0.9258 ( 2983 PWs) bands (ev): -42.8726 -42.8726 -42.7574 -42.7574 -20.6437 -20.6437 -20.4559 -20.4559 -18.7458 -18.7458 -18.5520 -18.5520 -18.3075 -18.3075 -18.0678 -18.0678 -0.2709 -0.2709 -0.1182 -0.1182 1.0166 1.0166 6.7565 6.7565 7.3059 7.3059 7.5581 7.5581 7.7467 7.7467 8.1378 8.1378 9.1261 9.1261 9.4914 9.4914 10.0098 10.0098 10.1842 10.1842 12.1394 12.1394 12.2930 12.2930 14.4142 14.4142 14.7352 14.7352 15.4033 15.4033 k = 0.2077-0.5218-0.9495 ( 2983 PWs) bands (ev): -42.8691 -42.8691 -42.7585 -42.7585 -20.6437 -20.6437 -20.4650 -20.4650 -18.7512 -18.7512 -18.5541 -18.5541 -18.3127 -18.3127 -18.0715 -18.0715 -0.2330 -0.2330 -0.0919 -0.0919 1.0245 1.0245 6.7615 6.7615 7.2931 7.2931 7.5863 7.5863 7.7077 7.7077 8.1765 8.1765 9.0806 9.0806 9.4500 9.4500 9.9558 9.9558 10.1618 10.1618 12.1582 12.1582 12.3258 12.3258 14.4142 14.4142 14.7414 14.7414 15.3918 15.3918 k = 0.2129-0.5349-0.9733 ( 2979 PWs) bands (ev): -42.8656 -42.8656 -42.7595 -42.7595 -20.6435 -20.6435 -20.4738 -20.4738 -18.7569 -18.7569 -18.5557 -18.5557 -18.3177 -18.3177 -18.0752 -18.0752 -0.1969 -0.1969 -0.0661 -0.0661 1.0336 1.0336 6.7619 6.7619 7.2744 7.2744 7.6182 7.6182 7.6777 7.6777 8.2175 8.2175 9.0379 9.0379 9.4072 9.4072 9.9037 9.9037 10.1365 10.1365 12.1793 12.1793 12.3559 12.3559 14.4086 14.4086 14.7507 14.7507 15.3790 15.3790 k = 0.2181-0.5479-0.9970 ( 2971 PWs) bands (ev): -42.8621 -42.8621 -42.7606 -42.7606 -20.6431 -20.6431 -20.4825 -20.4825 -18.7627 -18.7627 -18.5568 -18.5568 -18.3224 -18.3224 -18.0790 -18.0790 -0.1626 -0.1626 -0.0411 -0.0411 1.0437 1.0437 6.7580 6.7580 7.2530 7.2530 7.6426 7.6426 7.6648 7.6648 8.2598 8.2598 8.9986 8.9986 9.3635 9.3635 9.8535 9.8535 10.1083 10.1083 12.2023 12.2023 12.3830 12.3830 14.3985 14.3985 14.7615 14.7615 15.3654 15.3654 k = 0.2232-0.5610-1.0208 ( 2975 PWs) bands (ev): -42.8587 -42.8587 -42.7619 -42.7619 -20.6426 -20.6426 -20.4909 -20.4909 -18.7687 -18.7687 -18.5575 -18.5575 -18.3268 -18.3268 -18.0828 -18.0828 -0.1300 -0.1300 -0.0168 -0.0168 1.0545 1.0545 6.7503 6.7503 7.2310 7.2310 7.6334 7.6334 7.6924 7.6924 8.3023 8.3023 8.9630 8.9630 9.3195 9.3195 9.8051 9.8051 10.0772 10.0772 12.2266 12.2266 12.4073 12.4073 14.3843 14.3843 14.7732 14.7732 15.3518 15.3518 k = 0.2284-0.5740-1.0445 ( 2985 PWs) bands (ev): -42.8554 -42.8554 -42.7634 -42.7634 -20.6420 -20.6420 -20.4990 -20.4990 -18.7747 -18.7747 -18.5578 -18.5578 -18.3311 -18.3311 -18.0866 -18.0866 -0.0992 -0.0992 0.0066 0.0066 1.0659 1.0659 6.7399 6.7399 7.2095 7.2095 7.6233 7.6233 7.7259 7.7259 8.3445 8.3445 8.9315 8.9315 9.2759 9.2759 9.7586 9.7586 10.0432 10.0432 12.2517 12.2517 12.4288 12.4288 14.3659 14.3659 14.7855 14.7855 15.3390 15.3390 k = 0.2336-0.5871-1.0682 ( 2983 PWs) bands (ev): -42.8520 -42.8520 -42.7647 -42.7647 -20.6412 -20.6412 -20.5069 -20.5069 -18.7808 -18.7808 -18.5578 -18.5578 -18.3350 -18.3350 -18.0904 -18.0904 -0.0701 -0.0701 0.0292 0.0292 1.0777 1.0777 6.7279 6.7279 7.1892 7.1892 7.6168 7.6168 7.7586 7.7586 8.3854 8.3854 8.9046 8.9046 9.2334 9.2334 9.7141 9.7141 10.0065 10.0065 12.2770 12.2770 12.4477 12.4477 14.3428 14.3428 14.7990 14.7990 15.3279 15.3279 k = 0.2388-0.6001-1.0920 ( 2979 PWs) bands (ev): -42.8487 -42.8487 -42.7661 -42.7661 -20.6403 -20.6403 -20.5145 -20.5145 -18.7868 -18.7868 -18.5574 -18.5574 -18.3387 -18.3387 -18.0942 -18.0942 -0.0426 -0.0426 0.0509 0.0509 1.0895 1.0895 6.7154 6.7154 7.1708 7.1708 7.6128 7.6128 7.7894 7.7894 8.4244 8.4244 8.8826 8.8826 9.1927 9.1927 9.6719 9.6719 9.9670 9.9670 12.3020 12.3020 12.4644 12.4644 14.3142 14.3142 14.8142 14.8142 15.3191 15.3191 k = 0.2440-0.6132-1.1157 ( 2981 PWs) bands (ev): -42.8455 -42.8455 -42.7676 -42.7676 -20.6392 -20.6392 -20.5219 -20.5219 -18.7928 -18.7928 -18.5568 -18.5568 -18.3422 -18.3422 -18.0979 -18.0979 -0.0166 -0.0166 0.0716 0.0716 1.1011 1.1011 6.7036 6.7036 7.1544 7.1544 7.6100 7.6100 7.8176 7.8176 8.4609 8.4609 8.8657 8.8657 9.1545 9.1545 9.6321 9.6321 9.9250 9.9250 12.3263 12.3263 12.4790 12.4790 14.2795 14.2795 14.8319 14.8319 15.3130 15.3130 k = 0.2492-0.6262-1.1395 ( 2971 PWs) bands (ev): -42.8422 -42.8422 -42.7689 -42.7689 -20.6380 -20.6380 -20.5289 -20.5289 -18.7987 -18.7987 -18.5559 -18.5559 -18.3455 -18.3455 -18.1016 -18.1016 0.0080 0.0080 0.0912 0.0912 1.1122 1.1122 6.6936 6.6936 7.1404 7.1404 7.6072 7.6072 7.8424 7.8424 8.4944 8.4944 8.8543 8.8543 9.1196 9.1196 9.5951 9.5951 9.8805 9.8805 12.3497 12.3497 12.4919 12.4919 14.2381 14.2381 14.8525 14.8525 15.3100 15.3100 k = 0.2544-0.6393-1.1632 ( 2971 PWs) bands (ev): -42.8390 -42.8390 -42.7705 -42.7705 -20.6366 -20.6366 -20.5357 -20.5357 -18.8044 -18.8044 -18.5549 -18.5549 -18.3485 -18.3485 -18.1052 -18.1052 0.0313 0.0313 0.1098 0.1098 1.1227 1.1227 6.6862 6.6862 7.1288 7.1288 7.6034 7.6034 7.8629 7.8629 8.5246 8.5246 8.8483 8.8483 9.0886 9.0886 9.5612 9.5612 9.8338 9.8338 12.3718 12.3718 12.5037 12.5037 14.1900 14.1900 14.8762 14.8762 15.3103 15.3103 k = 0.2596-0.6523-1.1869 ( 2977 PWs) bands (ev): -42.8361 -42.8361 -42.7721 -42.7721 -20.6351 -20.6351 -20.5422 -20.5422 -18.8099 -18.8099 -18.5537 -18.5537 -18.3513 -18.3513 -18.1086 -18.1086 0.0533 0.0533 0.1272 0.1272 1.1322 1.1322 6.6822 6.6822 7.1198 7.1198 7.5980 7.5980 7.8781 7.8781 8.5517 8.5517 8.8476 8.8476 9.0619 9.0619 9.5306 9.5306 9.7850 9.7850 12.3927 12.3927 12.5145 12.5145 14.1354 14.1354 14.9029 14.9029 15.3139 15.3139 k = 0.2648-0.6654-1.2107 ( 2981 PWs) bands (ev): -42.8330 -42.8330 -42.7739 -42.7739 -20.6335 -20.6335 -20.5484 -20.5484 -18.8151 -18.8151 -18.5524 -18.5524 -18.3539 -18.3539 -18.1120 -18.1120 0.0741 0.0741 0.1435 0.1435 1.1407 1.1407 6.6822 6.6822 7.1135 7.1135 7.5903 7.5903 7.8868 7.8868 8.5763 8.5763 8.8519 8.8519 9.0400 9.0400 9.5035 9.5035 9.7343 9.7343 12.4124 12.4124 12.5250 12.5250 14.0747 14.0747 14.9324 14.9324 15.3204 15.3204 k = 0.2700-0.6784-1.2344 ( 2981 PWs) bands (ev): -42.8301 -42.8301 -42.7756 -42.7756 -20.6317 -20.6317 -20.5542 -20.5542 -18.8202 -18.8202 -18.5510 -18.5510 -18.3563 -18.3563 -18.1152 -18.1152 0.0938 0.0938 0.1587 0.1587 1.1480 1.1480 6.6866 6.6866 7.1099 7.1099 7.5802 7.5802 7.8881 7.8881 8.5996 8.5996 8.8607 8.8607 9.0227 9.0227 9.4800 9.4800 9.6819 9.6819 12.4314 12.4314 12.5354 12.5354 14.0084 14.0084 14.9642 14.9642 15.3295 15.3295 k = 0.2752-0.6914-1.2581 ( 2981 PWs) bands (ev): -42.8271 -42.8271 -42.7774 -42.7774 -20.6298 -20.6298 -20.5598 -20.5598 -18.8249 -18.8249 -18.5496 -18.5496 -18.3585 -18.3585 -18.1182 -18.1182 0.1124 0.1124 0.1727 0.1727 1.1539 1.1539 6.6957 6.6957 7.1089 7.1089 7.5677 7.5677 7.8809 7.8809 8.6227 8.6227 8.8735 8.8735 9.0097 9.0097 9.4597 9.4597 9.6280 9.6280 12.4498 12.4498 12.5461 12.5461 13.9374 13.9374 14.9979 14.9979 15.3405 15.3405 k = 0.2804-0.7045-1.2819 ( 2981 PWs) bands (ev): -42.8243 -42.8243 -42.7791 -42.7791 -20.6278 -20.6278 -20.5651 -20.5651 -18.8293 -18.8293 -18.5481 -18.5481 -18.3604 -18.3604 -18.1210 -18.1210 0.1298 0.1298 0.1855 0.1855 1.1584 1.1584 6.7097 6.7097 7.1106 7.1106 7.5529 7.5529 7.8650 7.8650 8.6470 8.6470 8.8897 8.8897 9.0005 9.0005 9.4424 9.4424 9.5729 9.5729 12.4682 12.4682 12.5576 12.5576 13.8623 13.8623 15.0329 15.0329 15.3525 15.3525 k = 0.2855-0.7175-1.3056 ( 2983 PWs) bands (ev): -42.8215 -42.8215 -42.7810 -42.7810 -20.6257 -20.6257 -20.5701 -20.5701 -18.8334 -18.8334 -18.5466 -18.5466 -18.3623 -18.3623 -18.1237 -18.1237 0.1461 0.1461 0.1971 0.1971 1.1616 1.1616 6.7288 6.7288 7.1149 7.1149 7.5359 7.5359 7.8404 7.8404 8.6735 8.6735 8.9083 8.9083 8.9946 8.9946 9.4271 9.4271 9.5171 9.5171 12.4870 12.4870 12.5700 12.5700 13.7838 13.7838 15.0686 15.0686 15.3645 15.3645 k = 0.2907-0.7306-1.3294 ( 2981 PWs) bands (ev): -42.8188 -42.8188 -42.7829 -42.7829 -20.6235 -20.6235 -20.5748 -20.5748 -18.8371 -18.8371 -18.5452 -18.5452 -18.3639 -18.3639 -18.1261 -18.1261 0.1612 0.1612 0.2076 0.2076 1.1635 1.1635 6.7529 6.7529 7.1217 7.1217 7.5172 7.5172 7.8077 7.8077 8.7026 8.7026 8.9286 8.9286 8.9921 8.9921 9.4119 9.4119 9.4620 9.4620 12.5070 12.5070 12.5836 12.5836 13.7028 13.7028 15.1044 15.1044 15.3755 15.3755 k = 0.2959-0.7436-1.3531 ( 2987 PWs) bands (ev): -42.8163 -42.8163 -42.7848 -42.7848 -20.6213 -20.6213 -20.5792 -20.5792 -18.8404 -18.8404 -18.5438 -18.5438 -18.3653 -18.3653 -18.1283 -18.1283 0.1749 0.1749 0.2169 0.2169 1.1643 1.1643 6.7819 6.7819 7.1306 7.1306 7.4970 7.4970 7.7679 7.7679 8.7342 8.7342 8.9492 8.9492 8.9935 8.9935 9.3858 9.3858 9.4180 9.4180 12.5286 12.5286 12.5986 12.5986 13.6200 13.6200 15.1397 15.1397 15.3842 15.3842 k = 0.3011-0.7567-1.3768 ( 2997 PWs) bands (ev): -42.8138 -42.8138 -42.7869 -42.7869 -20.6189 -20.6189 -20.5834 -20.5834 -18.8433 -18.8433 -18.5426 -18.5426 -18.3666 -18.3666 -18.1302 -18.1302 0.1871 0.1871 0.2252 0.2252 1.1640 1.1640 6.8155 6.8155 7.1413 7.1413 7.4760 7.4760 7.7225 7.7225 8.7675 8.7675 8.9678 8.9678 9.0011 9.0011 9.3347 9.3347 9.3987 9.3987 12.5522 12.5522 12.6151 12.6151 13.5362 13.5362 15.1739 15.1739 15.3899 15.3899 k = 0.3063-0.7697-1.4006 ( 2993 PWs) bands (ev): -42.8112 -42.8112 -42.7889 -42.7889 -20.6165 -20.6165 -20.5872 -20.5872 -18.8458 -18.8458 -18.5414 -18.5414 -18.3677 -18.3677 -18.1319 -18.1319 0.1977 0.1977 0.2324 0.2324 1.1629 1.1629 6.8534 6.8534 7.1531 7.1531 7.4545 7.4545 7.6732 7.6732 8.8016 8.8016 8.9825 8.9825 9.0168 9.0168 9.2770 9.2770 9.3854 9.3854 12.5782 12.5782 12.6332 12.6332 13.4521 13.4521 15.2064 15.2064 15.3918 15.3918 k = 0.3115-0.7828-1.4243 ( 2989 PWs) bands (ev): -42.8088 -42.8088 -42.7908 -42.7908 -20.6140 -20.6140 -20.5908 -20.5908 -18.8479 -18.8479 -18.5404 -18.5404 -18.3686 -18.3686 -18.1333 -18.1333 0.2066 0.2066 0.2386 0.2386 1.1613 1.1613 6.8951 6.8951 7.1648 7.1648 7.4332 7.4332 7.6222 7.6222 8.8344 8.8344 8.9969 8.9969 9.0379 9.0379 9.2183 9.2183 9.3724 9.3724 12.6069 12.6069 12.6529 12.6529 13.3687 13.3687 15.2364 15.2364 15.3898 15.3898 k = 0.3167-0.7958-1.4481 ( 2989 PWs) bands (ev): -42.8064 -42.8064 -42.7929 -42.7929 -20.6116 -20.6116 -20.5942 -20.5942 -18.8496 -18.8496 -18.5395 -18.5395 -18.3693 -18.3693 -18.1344 -18.1344 0.2135 0.2135 0.2438 0.2438 1.1595 1.1595 6.9394 6.9394 7.1745 7.1745 7.4130 7.4130 7.5724 7.5724 8.8639 8.8639 9.0151 9.0151 9.0603 9.0603 9.1604 9.1604 9.3585 9.3585 12.6379 12.6379 12.6741 12.6741 13.2869 13.2869 15.2630 15.2630 15.3843 15.3843 k = 0.3219-0.8089-1.4718 ( 2993 PWs) bands (ev): -42.8041 -42.8041 -42.7950 -42.7950 -20.6091 -20.6091 -20.5973 -20.5973 -18.8508 -18.8508 -18.5389 -18.5389 -18.3698 -18.3698 -18.1352 -18.1352 0.2185 0.2185 0.2478 0.2478 1.1577 1.1577 6.9848 6.9848 7.1789 7.1789 7.3950 7.3950 7.5281 7.5281 8.8885 8.8885 9.0363 9.0363 9.0785 9.0785 9.1112 9.1112 9.3437 9.3437 12.6692 12.6692 12.6981 12.6981 13.2081 13.2081 15.2844 15.2844 15.3770 15.3770 k = 0.3271-0.8219-1.4955 ( 2993 PWs) bands (ev): -42.8019 -42.8019 -42.7971 -42.7971 -20.6066 -20.6066 -20.6001 -20.6001 -18.8516 -18.8516 -18.5384 -18.5384 -18.3701 -18.3701 -18.1357 -18.1357 0.2215 0.2215 0.2505 0.2505 1.1563 1.1563 7.0283 7.0283 7.1739 7.1739 7.3814 7.3814 7.4953 7.4953 8.9079 8.9079 9.0236 9.0236 9.0845 9.0845 9.1140 9.1140 9.3285 9.3285 12.6948 12.6948 12.7288 12.7288 13.1349 13.1349 15.2977 15.2977 15.3714 15.3714 k = 0.3323-0.8350-1.5193 ( 2999 PWs) bands (ev): -42.7999 -42.7999 -42.7992 -42.7992 -20.6046 -20.6046 -20.6023 -20.6023 -18.8519 -18.8519 -18.5383 -18.5383 -18.3703 -18.3703 -18.1359 -18.1359 0.2228 0.2228 0.2517 0.2517 1.1555 1.1555 7.0622 7.0622 7.1587 7.1587 7.3750 7.3750 7.4793 7.4793 8.9225 8.9225 8.9717 8.9717 9.1147 9.1147 9.1357 9.1357 9.3145 9.3145 12.7091 12.7091 12.7681 12.7681 13.0711 13.0711 15.2986 15.2986 15.3720 15.3720 k = 0.3375-0.8480-1.5430 ( 2999 PWs) bands (ev): -42.8012 -42.8012 -42.7978 -42.7978 -20.6056 -20.6056 -20.6012 -20.6012 -18.8517 -18.8517 -18.5383 -18.5383 -18.3702 -18.3702 -18.1358 -18.1358 0.2223 0.2223 0.2512 0.2512 1.1557 1.1557 7.0660 7.0660 7.1481 7.1481 7.3805 7.3805 7.4818 7.4818 8.9069 8.9069 8.9439 8.9439 9.1449 9.1449 9.1584 9.1584 9.3059 9.3059 12.7084 12.7084 12.8130 12.8130 13.0235 13.0235 15.2882 15.2882 15.3787 15.3787 k = 0.6625-0.7522-1.4863 ( 2999 PWs) bands (ev): -42.8012 -42.8012 -42.7978 -42.7978 -20.6056 -20.6056 -20.6012 -20.6012 -18.8517 -18.8517 -18.5383 -18.5383 -18.3702 -18.3702 -18.1358 -18.1358 0.2223 0.2223 0.2512 0.2512 1.1557 1.1557 7.0660 7.0660 7.1481 7.1481 7.3805 7.3805 7.4818 7.4818 8.9069 8.9069 8.9439 8.9439 9.1449 9.1449 9.1584 9.1584 9.3059 9.3059 12.7084 12.7084 12.8130 12.8130 13.0235 13.0235 15.2882 15.2882 15.3787 15.3787 k = 0.6575-0.7257-1.4863 ( 3001 PWs) bands (ev): -42.8032 -42.8032 -42.7960 -42.7960 -20.6077 -20.6077 -20.5989 -20.5989 -18.8512 -18.8512 -18.5387 -18.5387 -18.3700 -18.3700 -18.1354 -18.1354 0.2202 0.2202 0.2490 0.2490 1.1571 1.1571 7.0295 7.0295 7.1520 7.1520 7.4018 7.4018 7.4991 7.4991 8.8525 8.8525 8.9546 8.9546 9.1656 9.1656 9.1777 9.1777 9.3106 9.3106 12.6879 12.6879 12.8606 12.8606 12.9995 12.9995 15.2718 15.2718 15.3870 15.3870 k = 0.6524-0.6992-1.4863 ( 2999 PWs) bands (ev): -42.8052 -42.8052 -42.7942 -42.7942 -20.6097 -20.6097 -20.5965 -20.5965 -18.8502 -18.8502 -18.5393 -18.5393 -18.3695 -18.3695 -18.1348 -18.1348 0.2164 0.2164 0.2452 0.2452 1.1599 1.1599 6.9737 6.9737 7.1527 7.1527 7.4392 7.4392 7.5273 7.5273 8.7963 8.7963 8.9672 8.9672 9.1681 9.1681 9.1960 9.1960 9.3344 9.3344 12.6472 12.6472 12.9109 12.9109 12.9992 12.9992 15.2527 15.2527 15.3943 15.3943 k = 0.6473-0.6727-1.4863 ( 2995 PWs) bands (ev): -42.8071 -42.8071 -42.7924 -42.7924 -20.6116 -20.6116 -20.5942 -20.5942 -18.8488 -18.8488 -18.5403 -18.5403 -18.3689 -18.3689 -18.1339 -18.1339 0.2109 0.2109 0.2399 0.2399 1.1641 1.1641 6.9099 6.9099 7.1462 7.1462 7.4880 7.4880 7.5639 7.5639 8.7405 8.7405 8.9800 8.9800 9.1553 9.1553 9.2154 9.2154 9.3725 9.3725 12.5926 12.5926 12.9624 12.9624 13.0173 13.0173 15.2327 15.2327 15.3997 15.3997 k = 0.6422-0.6462-1.4863 ( 3001 PWs) bands (ev): -42.8091 -42.8091 -42.7908 -42.7908 -20.6133 -20.6133 -20.5919 -20.5919 -18.8470 -18.8470 -18.5415 -18.5415 -18.3681 -18.3681 -18.1327 -18.1327 0.2033 0.2033 0.2335 0.2335 1.1698 1.1698 6.8419 6.8419 7.1347 7.1347 7.5427 7.5427 7.6077 7.6077 8.6854 8.6854 8.9921 8.9921 9.1361 9.1361 9.2348 9.2348 9.4176 9.4176 12.5304 12.5304 13.0120 13.0120 13.0502 13.0502 15.2127 15.2127 15.4030 15.4030 k = 0.6371-0.6197-1.4863 ( 2993 PWs) bands (ev): -42.8109 -42.8109 -42.7891 -42.7891 -20.6148 -20.6148 -20.5896 -20.5896 -18.8447 -18.8447 -18.5430 -18.5430 -18.3671 -18.3671 -18.1313 -18.1313 0.1935 0.1935 0.2263 0.2263 1.1771 1.1771 6.7718 6.7718 7.1208 7.1208 7.5987 7.5987 7.6586 7.6586 8.6314 8.6314 9.0015 9.0015 9.1167 9.1167 9.2544 9.2544 9.4659 9.4659 12.4647 12.4647 13.0555 13.0555 13.0976 13.0976 15.1932 15.1932 15.4044 15.4044 k = 0.6321-0.5932-1.4863 ( 2997 PWs) bands (ev): -42.8129 -42.8129 -42.7877 -42.7877 -20.6163 -20.6163 -20.5875 -20.5875 -18.8421 -18.8421 -18.5449 -18.5449 -18.3660 -18.3660 -18.1296 -18.1296 0.1813 0.1813 0.2187 0.2187 1.1860 1.1860 6.7008 6.7008 7.1058 7.1058 7.6534 7.6534 7.7158 7.7158 8.5788 8.5788 9.0038 9.0038 9.1032 9.1032 9.2743 9.2743 9.5155 9.5155 12.3977 12.3977 13.0955 13.0955 13.1540 13.1540 15.1746 15.1746 15.4040 15.4040 k = 0.6270-0.5667-1.4863 ( 2995 PWs) bands (ev): -42.8147 -42.8147 -42.7862 -42.7862 -20.6175 -20.6175 -20.5854 -20.5854 -18.8391 -18.8391 -18.5470 -18.5470 -18.3647 -18.3647 -18.1278 -18.1278 0.1669 0.1669 0.2109 0.2109 1.1963 1.1963 6.6295 6.6295 7.0907 7.0907 7.7068 7.7068 7.7770 7.7770 8.5280 8.5280 8.9937 8.9937 9.1019 9.1019 9.2953 9.2953 9.5652 9.5652 12.3306 12.3306 13.1352 13.1352 13.2146 13.2146 15.1572 15.1572 15.4023 15.4023 k = 0.6219-0.5402-1.4863 ( 2993 PWs) bands (ev): -42.8166 -42.8166 -42.7848 -42.7848 -20.6187 -20.6187 -20.5833 -20.5833 -18.8357 -18.8357 -18.5494 -18.5494 -18.3633 -18.3633 -18.1257 -18.1257 0.1505 0.1505 0.2028 0.2028 1.2079 1.2079 6.5586 6.5586 7.0762 7.0762 7.7596 7.7596 7.8390 7.8390 8.4793 8.4793 8.9725 8.9725 9.1121 9.1121 9.3177 9.3177 9.6146 9.6146 12.2639 12.2639 13.1755 13.1755 13.2772 13.2772 15.1411 15.1411 15.3998 15.3998 k = 0.6168-0.5137-1.4863 ( 2989 PWs) bands (ev): -42.8183 -42.8183 -42.7835 -42.7835 -20.6198 -20.6198 -20.5814 -20.5814 -18.8320 -18.8320 -18.5520 -18.5520 -18.3618 -18.3618 -18.1234 -18.1234 0.1324 0.1324 0.1946 0.1946 1.2206 1.2206 6.4885 6.4885 7.0626 7.0626 7.8123 7.8123 7.8993 7.8993 8.4336 8.4336 8.9453 8.9453 9.1293 9.1293 9.3424 9.3424 9.6630 9.6630 12.1981 12.1981 13.2161 13.2161 13.3410 13.3410 15.1264 15.1264 15.3968 15.3968 k = 0.6117-0.4872-1.4863 ( 2993 PWs) bands (ev): -42.8202 -42.8202 -42.7822 -42.7822 -20.6208 -20.6208 -20.5796 -20.5796 -18.8280 -18.8280 -18.5550 -18.5550 -18.3603 -18.3603 -18.1210 -18.1210 0.1129 0.1129 0.1862 0.1862 1.2344 1.2344 6.4195 6.4195 7.0502 7.0502 7.8645 7.8645 7.9553 7.9553 8.3923 8.3923 8.9154 8.9154 9.1504 9.1504 9.3698 9.3698 9.7101 9.7101 12.1332 12.1332 13.2568 13.2568 13.4057 13.4057 15.1130 15.1130 15.3935 15.3935 k = 0.6067-0.4607-1.4863 ( 2989 PWs) bands (ev): -42.8218 -42.8218 -42.7810 -42.7810 -20.6217 -20.6217 -20.5778 -20.5778 -18.8237 -18.8237 -18.5581 -18.5581 -18.3586 -18.3586 -18.1184 -18.1184 0.0923 0.0923 0.1777 0.1777 1.2490 1.2490 6.3519 6.3519 7.0394 7.0394 7.9151 7.9151 8.0047 8.0047 8.3574 8.3574 8.8843 8.8843 9.1741 9.1741 9.4008 9.4008 9.7556 9.7556 12.0696 12.0696 13.2974 13.2974 13.4708 13.4708 15.1010 15.1010 15.3904 15.3904 k = 0.6016-0.4342-1.4863 ( 2987 PWs) bands (ev): -42.8235 -42.8235 -42.7799 -42.7799 -20.6225 -20.6225 -20.5762 -20.5762 -18.8191 -18.8191 -18.5615 -18.5615 -18.3569 -18.3569 -18.1158 -18.1158 0.0709 0.0709 0.1690 0.1690 1.2641 1.2641 6.2861 6.2861 7.0302 7.0302 7.9610 7.9610 8.0461 8.0461 8.3325 8.3325 8.8530 8.8530 9.1998 9.1998 9.4360 9.4360 9.7992 9.7992 12.0070 12.0070 13.3375 13.3375 13.5359 13.5359 15.0902 15.0902 15.3877 15.3877 k = 0.5965-0.4077-1.4863 ( 2987 PWs) bands (ev): -42.8251 -42.8251 -42.7789 -42.7789 -20.6232 -20.6232 -20.5746 -20.5746 -18.8142 -18.8142 -18.5651 -18.5651 -18.3552 -18.3552 -18.1130 -18.1130 0.0491 0.0491 0.1603 0.1603 1.2798 1.2798 6.2222 6.2222 7.0228 7.0228 7.9939 7.9939 8.0826 8.0826 8.3214 8.3214 8.8218 8.8218 9.2271 9.2271 9.4759 9.4759 9.8407 9.8407 11.9456 11.9456 13.3770 13.3770 13.6009 13.6009 15.0805 15.0805 15.3853 15.3853 k = 0.5914-0.3812-1.4863 ( 2985 PWs) bands (ev): -42.8266 -42.8266 -42.7778 -42.7778 -20.6238 -20.6238 -20.5731 -20.5731 -18.8091 -18.8091 -18.5688 -18.5688 -18.3535 -18.3535 -18.1102 -18.1102 0.0269 0.0269 0.1515 0.1515 1.2956 1.2956 6.1605 6.1605 7.0173 7.0173 8.0035 8.0035 8.1230 8.1230 8.3248 8.3248 8.7913 8.7913 9.2559 9.2559 9.5208 9.5208 9.8798 9.8798 11.8853 11.8853 13.4156 13.4156 13.6655 13.6655 15.0718 15.0718 15.3833 15.3833 k = 0.5863-0.3547-1.4863 ( 2992 PWs) bands (ev): -42.8283 -42.8283 -42.7769 -42.7769 -20.6244 -20.6244 -20.5718 -20.5718 -18.8038 -18.8038 -18.5727 -18.5727 -18.3518 -18.3518 -18.1073 -18.1073 0.0048 0.0048 0.1427 0.1427 1.3116 1.3116 6.1011 6.1011 7.0139 7.0139 7.9908 7.9908 8.1695 8.1695 8.3387 8.3387 8.7616 8.7616 9.2861 9.2861 9.5709 9.5709 9.9164 9.9164 11.8260 11.8260 13.4531 13.4531 13.7294 13.7294 15.0638 15.0638 15.3817 15.3817 k = 0.5813-0.3282-1.4863 ( 2986 PWs) bands (ev): -42.8298 -42.8298 -42.7759 -42.7759 -20.6250 -20.6250 -20.5705 -20.5705 -18.7984 -18.7984 -18.5768 -18.5768 -18.3501 -18.3501 -18.1044 -18.1044 -0.0172 -0.0172 0.1341 0.1341 1.3274 1.3274 6.0442 6.0442 7.0126 7.0126 7.9646 7.9646 8.2185 8.2185 8.3573 8.3573 8.7330 8.7330 9.3175 9.3175 9.6260 9.6260 9.9503 9.9503 11.7677 11.7677 13.4896 13.4896 13.7924 13.7924 15.0564 15.0564 15.3804 15.3804 k = 0.5762-0.3017-1.4863 ( 2998 PWs) bands (ev): -42.8313 -42.8313 -42.7752 -42.7752 -20.6254 -20.6254 -20.5694 -20.5694 -18.7928 -18.7928 -18.5810 -18.5810 -18.3485 -18.3485 -18.1015 -18.1015 -0.0387 -0.0387 0.1255 0.1255 1.3431 1.3431 5.9901 5.9901 7.0135 7.0135 7.9312 7.9312 8.2675 8.2675 8.3769 8.3769 8.7056 8.7056 9.3502 9.3502 9.6858 9.6858 9.9815 9.9815 11.7102 11.7102 13.5248 13.5248 13.8542 13.8542 15.0495 15.0495 15.3792 15.3792 k = 0.5711-0.2752-1.4863 ( 3000 PWs) bands (ev): -42.8326 -42.8326 -42.7745 -42.7745 -20.6259 -20.6259 -20.5683 -20.5683 -18.7871 -18.7871 -18.5853 -18.5853 -18.3470 -18.3470 -18.0986 -18.0986 -0.0597 -0.0597 0.1173 0.1173 1.3583 1.3583 5.9387 5.9387 7.0165 7.0165 7.8941 7.8941 8.3144 8.3144 8.3957 8.3957 8.6797 8.6797 9.3839 9.3839 9.7495 9.7495 10.0098 10.0098 11.6536 11.6536 13.5588 13.5588 13.9146 13.9146 15.0431 15.0431 15.3778 15.3778 k = 0.5660-0.2487-1.4863 ( 3002 PWs) bands (ev): -42.8338 -42.8338 -42.7739 -42.7739 -20.6263 -20.6263 -20.5673 -20.5673 -18.7813 -18.7813 -18.5896 -18.5896 -18.3455 -18.3455 -18.0958 -18.0958 -0.0799 -0.0799 0.1092 0.1092 1.3730 1.3730 5.8904 5.8904 7.0218 7.0218 7.8552 7.8552 8.3569 8.3569 8.4144 8.4144 8.6555 8.6555 9.4186 9.4186 9.8164 9.8164 10.0356 10.0356 11.5976 11.5976 13.5913 13.5913 13.9732 13.9732 15.0370 15.0370 15.3762 15.3762 k = 0.5610-0.2222-1.4863 ( 3000 PWs) bands (ev): -42.8350 -42.8350 -42.7732 -42.7732 -20.6266 -20.6266 -20.5664 -20.5664 -18.7756 -18.7756 -18.5941 -18.5941 -18.3441 -18.3441 -18.0931 -18.0931 -0.0992 -0.0992 0.1016 0.1016 1.3871 1.3871 5.8451 5.8451 7.0293 7.0293 7.8153 7.8153 8.3897 8.3897 8.4374 8.4374 8.6334 8.6334 9.4542 9.4542 9.8850 9.8850 10.0592 10.0592 11.5422 11.5422 13.6224 13.6224 14.0298 14.0298 15.0313 15.0313 15.3740 15.3740 k = 0.5559-0.1957-1.4863 ( 3004 PWs) bands (ev): -42.8361 -42.8361 -42.7727 -42.7727 -20.6269 -20.6269 -20.5656 -20.5656 -18.7698 -18.7698 -18.5985 -18.5985 -18.3429 -18.3429 -18.0904 -18.0904 -0.1174 -0.1174 0.0943 0.0943 1.4004 1.4004 5.8031 5.8031 7.0389 7.0389 7.7751 7.7751 8.4089 8.4089 8.4676 8.4676 8.6137 8.6137 9.4904 9.4904 9.9529 9.9529 10.0821 10.0821 11.4873 11.4873 13.6520 13.6520 14.0840 14.0840 15.0262 15.0262 15.3711 15.3711 k = 0.5508-0.1692-1.4863 ( 3006 PWs) bands (ev): -42.8371 -42.8371 -42.7721 -42.7721 -20.6272 -20.6272 -20.5649 -20.5649 -18.7641 -18.7641 -18.6029 -18.6029 -18.3417 -18.3417 -18.0880 -18.0880 -0.1345 -0.1345 0.0874 0.0874 1.4129 1.4129 5.7644 5.7644 7.0506 7.0506 7.7351 7.7351 8.4191 8.4191 8.4991 8.4991 8.5983 8.5983 9.5269 9.5269 10.0146 10.0146 10.1094 10.1094 11.4328 11.4328 13.6798 13.6798 14.1354 14.1354 15.0218 15.0218 15.3675 15.3675 k = 0.5457-0.1427-1.4863 ( 3004 PWs) bands (ev): -42.8380 -42.8380 -42.7717 -42.7717 -20.6274 -20.6274 -20.5642 -20.5642 -18.7585 -18.7585 -18.6073 -18.6073 -18.3406 -18.3406 -18.0856 -18.0856 -0.1502 -0.1502 0.0811 0.0811 1.4244 1.4244 5.7291 5.7291 7.0643 7.0643 7.6955 7.6955 8.4250 8.4250 8.5226 8.5226 8.5915 8.5915 9.5635 9.5635 10.0578 10.0578 10.1524 10.1524 11.3786 11.3786 13.7059 13.7059 14.1836 14.1836 15.0184 15.0184 15.3632 15.3632 k = 0.5406-0.1162-1.4863 ( 3000 PWs) bands (ev): -42.8387 -42.8387 -42.7712 -42.7712 -20.6276 -20.6276 -20.5636 -20.5636 -18.7531 -18.7531 -18.6116 -18.6116 -18.3396 -18.3396 -18.0835 -18.0835 -0.1646 -0.1646 0.0753 0.0753 1.4349 1.4349 5.6972 5.6972 7.0797 7.0797 7.6567 7.6567 8.4284 8.4284 8.5292 8.5292 8.6010 8.6010 9.5997 9.5997 10.0795 10.0795 10.2134 10.2134 11.3246 11.3246 13.7300 13.7300 14.2281 14.2281 15.0163 15.0163 15.3582 15.3582 k = 0.5356-0.0897-1.4863 ( 2996 PWs) bands (ev): -42.8394 -42.8394 -42.7708 -42.7708 -20.6278 -20.6278 -20.5631 -20.5631 -18.7479 -18.7479 -18.6157 -18.6157 -18.3387 -18.3387 -18.0815 -18.0815 -0.1775 -0.1775 0.0700 0.0700 1.4444 1.4444 5.6690 5.6690 7.0968 7.0968 7.6190 7.6190 8.4302 8.4302 8.5233 8.5233 8.6216 8.6216 9.6350 9.6350 10.0899 10.0899 10.2818 10.2818 11.2708 11.2708 13.7520 13.7520 14.2683 14.2683 15.0159 15.0159 15.3527 15.3527 k = 0.5305-0.0632-1.4863 ( 3000 PWs) bands (ev): -42.8401 -42.8401 -42.7706 -42.7706 -20.6280 -20.6280 -20.5627 -20.5627 -18.7431 -18.7431 -18.6196 -18.6196 -18.3380 -18.3380 -18.0798 -18.0798 -0.1888 -0.1888 0.0654 0.0654 1.4527 1.4527 5.6444 5.6444 7.1151 7.1151 7.5827 7.5827 8.4308 8.4308 8.5141 8.5141 8.6438 8.6438 9.6688 9.6688 10.0944 10.0944 10.3516 10.3516 11.2175 11.2175 13.7717 13.7717 14.3039 14.3039 15.0174 15.0174 15.3470 15.3470 k = 0.5254-0.0367-1.4863 ( 2996 PWs) bands (ev): -42.8406 -42.8406 -42.7702 -42.7702 -20.6281 -20.6281 -20.5624 -20.5624 -18.7387 -18.7387 -18.6232 -18.6232 -18.3373 -18.3373 -18.0783 -18.0783 -0.1985 -0.1985 0.0615 0.0615 1.4598 1.4598 5.6235 5.6235 7.1341 7.1341 7.5484 7.5484 8.4308 8.4308 8.5049 8.5049 8.6641 8.6641 9.7002 9.7002 10.0952 10.0952 10.4201 10.4201 11.1647 11.1647 13.7888 13.7888 14.3343 14.3343 15.0209 15.0209 15.3415 15.3415 k = 0.5203-0.0102-1.4863 ( 2994 PWs) bands (ev): -42.8410 -42.8410 -42.7700 -42.7700 -20.6282 -20.6282 -20.5621 -20.5621 -18.7348 -18.7348 -18.6264 -18.6264 -18.3368 -18.3368 -18.0771 -18.0771 -0.2066 -0.2066 0.0582 0.0582 1.4656 1.4656 5.6063 5.6063 7.1533 7.1533 7.5168 7.5168 8.4305 8.4305 8.4969 8.4969 8.6813 8.6813 9.7284 9.7284 10.0936 10.0936 10.4854 10.4854 11.1133 11.1133 13.8032 13.8032 14.3594 14.3594 15.0261 15.0261 15.3364 15.3364 k = 0.5152 0.0163-1.4863 ( 3004 PWs) bands (ev): -42.8415 -42.8415 -42.7699 -42.7699 -20.6283 -20.6283 -20.5619 -20.5619 -18.7317 -18.7317 -18.6290 -18.6290 -18.3364 -18.3364 -18.0761 -18.0761 -0.2128 -0.2128 0.0556 0.0556 1.4702 1.4702 5.5929 5.5929 7.1714 7.1714 7.4890 7.4890 8.4299 8.4299 8.4905 8.4905 8.6948 8.6948 9.7523 9.7523 10.0906 10.0906 10.5454 10.5454 11.0647 11.0647 13.8147 13.8147 14.3788 14.3788 15.0324 15.0324 15.3321 15.3321 k = 0.5102 0.0428-1.4863 ( 3002 PWs) bands (ev): -42.8417 -42.8417 -42.7697 -42.7697 -20.6283 -20.6283 -20.5617 -20.5617 -18.7293 -18.7293 -18.6310 -18.6310 -18.3361 -18.3361 -18.0754 -18.0754 -0.2173 -0.2173 0.0538 0.0538 1.4735 1.4735 5.5833 5.5833 7.1869 7.1869 7.4665 7.4665 8.4294 8.4294 8.4858 8.4858 8.7046 8.7046 9.7706 9.7706 10.0873 10.0873 10.5967 10.5967 11.0219 11.0219 13.8230 13.8230 14.3927 14.3927 15.0387 15.0387 15.3290 15.3290 k = 0.5051 0.0693-1.4863 ( 3008 PWs) bands (ev): -42.8419 -42.8419 -42.7697 -42.7697 -20.6284 -20.6284 -20.5616 -20.5616 -18.7278 -18.7278 -18.6323 -18.6323 -18.3359 -18.3359 -18.0750 -18.0750 -0.2201 -0.2201 0.0527 0.0527 1.4755 1.4755 5.5775 5.5775 7.1977 7.1977 7.4515 7.4515 8.4291 8.4291 8.4830 8.4830 8.7106 8.7106 9.7823 9.7823 10.0847 10.0847 10.6334 10.6334 10.9904 10.9904 13.8280 13.8280 14.4009 14.4009 15.0434 15.0434 15.3271 15.3271 k = 0.5000 0.0958-1.4863 ( 3006 PWs) bands (ev): -42.8420 -42.8420 -42.7697 -42.7697 -20.6284 -20.6284 -20.5616 -20.5616 -18.7273 -18.7273 -18.6327 -18.6327 -18.3359 -18.3359 -18.0748 -18.0748 -0.2210 -0.2210 0.0523 0.0523 1.4762 1.4762 5.5756 5.5756 7.2016 7.2016 7.4462 7.4462 8.4290 8.4290 8.4820 8.4820 8.7125 8.7125 9.7863 9.7863 10.0837 10.0837 10.6472 10.6472 10.9784 10.9784 13.8297 13.8297 14.4037 14.4037 15.0451 15.0451 15.3265 15.3265 k = 0.5000 0.0958-1.4863 ( 3006 PWs) bands (ev): -42.8420 -42.8420 -42.7697 -42.7697 -20.6284 -20.6284 -20.5616 -20.5616 -18.7273 -18.7273 -18.6327 -18.6327 -18.3359 -18.3359 -18.0748 -18.0748 -0.2210 -0.2210 0.0523 0.0523 1.4762 1.4762 5.5756 5.5756 7.2016 7.2016 7.4462 7.4462 8.4290 8.4290 8.4820 8.4820 8.7125 8.7125 9.7863 9.7863 10.0837 10.0837 10.6472 10.6472 10.9784 10.9784 13.8297 13.8297 14.4037 14.4037 15.0451 15.0451 15.3265 15.3265 k = 0.5232 0.1003-1.4782 ( 3000 PWs) bands (ev): -42.8419 -42.8419 -42.7696 -42.7696 -20.6284 -20.6284 -20.5616 -20.5616 -18.7273 -18.7273 -18.6327 -18.6327 -18.3358 -18.3358 -18.0748 -18.0748 -0.2214 -0.2214 0.0528 0.0528 1.4759 1.4759 5.5760 5.5760 7.2025 7.2025 7.4462 7.4462 8.4248 8.4248 8.4836 8.4836 8.7127 8.7127 9.7878 9.7878 10.0831 10.0831 10.6468 10.6468 10.9792 10.9792 13.8296 13.8296 14.4036 14.4036 15.0449 15.0449 15.3267 15.3267 k = 0.5464 0.1047-1.4701 ( 2999 PWs) bands (ev): -42.8419 -42.8419 -42.7696 -42.7696 -20.6284 -20.6284 -20.5615 -20.5615 -18.7273 -18.7273 -18.6327 -18.6327 -18.3358 -18.3358 -18.0748 -18.0748 -0.2227 -0.2227 0.0545 0.0545 1.4749 1.4749 5.5772 5.5772 7.2052 7.2052 7.4464 7.4464 8.4137 8.4137 8.4870 8.4870 8.7132 8.7132 9.7923 9.7923 10.0813 10.0813 10.6456 10.6456 10.9818 10.9818 13.8294 13.8294 14.4032 14.4032 15.0442 15.0442 15.3274 15.3274 k = 0.5697 0.1092-1.4620 ( 3005 PWs) bands (ev): -42.8420 -42.8420 -42.7696 -42.7696 -20.6285 -20.6285 -20.5614 -20.5614 -18.7272 -18.7272 -18.6327 -18.6327 -18.3358 -18.3358 -18.0748 -18.0748 -0.2248 -0.2248 0.0571 0.0571 1.4734 1.4734 5.5791 5.5791 7.2095 7.2095 7.4466 7.4466 8.3977 8.3977 8.4905 8.4905 8.7140 8.7140 9.7997 9.7997 10.0783 10.0783 10.6436 10.6436 10.9859 10.9859 13.8291 13.8291 14.4027 14.4027 15.0429 15.0429 15.3284 15.3284 k = 0.5929 0.1136-1.4539 ( 3006 PWs) bands (ev): -42.8420 -42.8420 -42.7697 -42.7697 -20.6285 -20.6285 -20.5612 -20.5612 -18.7272 -18.7272 -18.6326 -18.6326 -18.3358 -18.3358 -18.0748 -18.0748 -0.2276 -0.2276 0.0606 0.0606 1.4713 1.4713 5.5817 5.5817 7.2156 7.2156 7.4470 7.4470 8.3780 8.3780 8.4932 8.4932 8.7149 8.7149 9.8097 9.8097 10.0743 10.0743 10.6407 10.6407 10.9915 10.9915 13.8286 13.8286 14.4020 14.4020 15.0412 15.0412 15.3294 15.3294 k = 0.6161 0.1181-1.4458 ( 3003 PWs) bands (ev): -42.8420 -42.8420 -42.7696 -42.7696 -20.6286 -20.6286 -20.5610 -20.5610 -18.7272 -18.7272 -18.6325 -18.6325 -18.3358 -18.3358 -18.0747 -18.0747 -0.2309 -0.2309 0.0649 0.0649 1.4686 1.4686 5.5850 5.5850 7.2233 7.2233 7.4474 7.4474 8.3555 8.3555 8.4949 8.4949 8.7159 8.7159 9.8223 9.8223 10.0694 10.0694 10.6370 10.6370 10.9982 10.9982 13.8280 13.8280 14.4012 14.4012 15.0392 15.0392 15.3303 15.3303 k = 0.6393 0.1225-1.4377 ( 2997 PWs) bands (ev): -42.8420 -42.8420 -42.7695 -42.7695 -20.6287 -20.6287 -20.5608 -20.5608 -18.7272 -18.7272 -18.6324 -18.6324 -18.3357 -18.3357 -18.0747 -18.0747 -0.2347 -0.2347 0.0697 0.0697 1.4656 1.4656 5.5889 5.5889 7.2327 7.2327 7.4479 7.4479 8.3307 8.3307 8.4954 8.4954 8.7167 8.7167 9.8370 9.8370 10.0639 10.0639 10.6323 10.6323 11.0060 11.0060 13.8273 13.8273 14.4004 14.4004 15.0368 15.0368 15.3307 15.3307 k = 0.6625 0.1270-1.4296 ( 2999 PWs) bands (ev): -42.8421 -42.8421 -42.7695 -42.7695 -20.6288 -20.6288 -20.5605 -20.5605 -18.7271 -18.7271 -18.6323 -18.6323 -18.3357 -18.3357 -18.0746 -18.0746 -0.2387 -0.2387 0.0748 0.0748 1.4621 1.4621 5.5933 5.5933 7.2434 7.2434 7.4484 7.4484 8.3041 8.3041 8.4949 8.4949 8.7174 8.7174 9.8535 9.8535 10.0579 10.0579 10.6268 10.6268 11.0145 11.0145 13.8264 13.8264 14.3995 14.3995 15.0342 15.0342 15.3307 15.3307 k = 0.6625 0.1270-1.4296 ( 2999 PWs) bands (ev): -42.8421 -42.8421 -42.7695 -42.7695 -20.6288 -20.6288 -20.5605 -20.5605 -18.7271 -18.7271 -18.6323 -18.6323 -18.3357 -18.3357 -18.0746 -18.0746 -0.2387 -0.2387 0.0748 0.0748 1.4621 1.4621 5.5933 5.5933 7.2434 7.2434 7.4484 7.4484 8.3041 8.3041 8.4949 8.4949 8.7174 8.7174 9.8535 9.8535 10.0579 10.0579 10.6268 10.6268 11.0145 11.0145 13.8264 13.8264 14.3995 14.3995 15.0342 15.0342 15.3307 15.3307 k = 0.6596 0.1264-1.4026 ( 2991 PWs) bands (ev): -42.8426 -42.8426 -42.7692 -42.7692 -20.6296 -20.6296 -20.5584 -20.5584 -18.7269 -18.7269 -18.6316 -18.6316 -18.3353 -18.3353 -18.0742 -18.0742 -0.2418 -0.2418 0.0747 0.0747 1.4530 1.4530 5.6078 5.6078 7.2511 7.2511 7.4492 7.4492 8.2625 8.2625 8.5212 8.5212 8.7158 8.7158 9.8558 9.8558 10.0537 10.0537 10.6360 10.6360 11.0170 11.0170 13.8169 13.8169 14.3854 14.3854 15.0334 15.0334 15.2979 15.2979 k = 0.6566 0.1259-1.3756 ( 2999 PWs) bands (ev): -42.8436 -42.8436 -42.7688 -42.7688 -20.6307 -20.6307 -20.5555 -20.5555 -18.7265 -18.7265 -18.6305 -18.6305 -18.3348 -18.3348 -18.0737 -18.0737 -0.2451 -0.2451 0.0725 0.0725 1.4405 1.4405 5.6281 5.6281 7.2614 7.2614 7.4503 7.4503 8.2192 8.2192 8.5483 8.5483 8.7112 8.7112 9.8589 9.8589 10.0485 10.0485 10.6466 10.6466 11.0185 11.0185 13.8029 13.8029 14.3668 14.3668 15.0337 15.0337 15.2647 15.2647 k = 0.6537 0.1253-1.3486 ( 3004 PWs) bands (ev): -42.8447 -42.8447 -42.7684 -42.7684 -20.6320 -20.6320 -20.5516 -20.5516 -18.7261 -18.7261 -18.6290 -18.6290 -18.3341 -18.3341 -18.0729 -18.0729 -0.2487 -0.2487 0.0681 0.0681 1.4246 1.4246 5.6542 5.6542 7.2744 7.2744 7.4517 7.4517 8.1746 8.1746 8.5767 8.5767 8.7030 8.7030 9.8632 9.8632 10.0424 10.0424 10.6585 10.6585 11.0190 11.0190 13.7845 13.7845 14.3439 14.3439 15.0353 15.0353 15.2329 15.2329 k = 0.6507 0.1247-1.3215 ( 3002 PWs) bands (ev): -42.8461 -42.8461 -42.7677 -42.7677 -20.6334 -20.6334 -20.5469 -20.5469 -18.7255 -18.7255 -18.6271 -18.6271 -18.3333 -18.3333 -18.0719 -18.0719 -0.2527 -0.2527 0.0616 0.0616 1.4059 1.4059 5.6855 5.6855 7.2899 7.2899 7.4533 7.4533 8.1290 8.1290 8.6064 8.6064 8.6911 8.6911 9.8687 9.8687 10.0354 10.0354 10.6716 10.6716 11.0186 11.0186 13.7620 13.7620 14.3167 14.3167 15.0382 15.0382 15.2033 15.2033 k = 0.6478 0.1242-1.2945 ( 3005 PWs) bands (ev): -42.8477 -42.8477 -42.7670 -42.7670 -20.6349 -20.6349 -20.5416 -20.5416 -18.7248 -18.7248 -18.6248 -18.6248 -18.3322 -18.3322 -18.0708 -18.0708 -0.2572 -0.2572 0.0530 0.0530 1.3844 1.3844 5.7218 5.7218 7.3080 7.3080 7.4552 7.4552 8.0828 8.0828 8.6336 8.6336 8.6790 8.6790 9.8758 9.8758 10.0277 10.0277 10.6856 10.6856 11.0174 11.0174 13.7356 13.7356 14.2855 14.2855 15.0423 15.0423 15.1763 15.1763 k = 0.6448 0.1236-1.2675 ( 3003 PWs) bands (ev): -42.8495 -42.8495 -42.7662 -42.7662 -20.6364 -20.6364 -20.5357 -20.5357 -18.7240 -18.7240 -18.6222 -18.6222 -18.3308 -18.3308 -18.0695 -18.0695 -0.2623 -0.2623 0.0423 0.0423 1.3608 1.3608 5.7626 5.7626 7.3284 7.3284 7.4571 7.4571 8.0365 8.0365 8.6340 8.6340 8.6910 8.6910 9.8844 9.8844 10.0194 10.0194 10.7004 10.7004 11.0155 11.0155 13.7055 13.7055 14.2507 14.2507 15.0475 15.0475 15.1525 15.1525 k = 0.6418 0.1230-1.2405 ( 3003 PWs) bands (ev): -42.8516 -42.8516 -42.7653 -42.7653 -20.6378 -20.6378 -20.5293 -20.5293 -18.7231 -18.7231 -18.6191 -18.6191 -18.3293 -18.3293 -18.0680 -18.0680 -0.2682 -0.2682 0.0297 0.0297 1.3355 1.3355 5.8075 5.8075 7.3510 7.3510 7.4592 7.4592 7.9908 7.9908 8.6081 8.6081 8.7267 8.7267 9.8947 9.8947 10.0108 10.0108 10.7159 10.7159 11.0132 11.0132 13.6720 13.6720 14.2129 14.2129 15.0538 15.0538 15.1320 15.1320 k = 0.6389 0.1225-1.2134 ( 3001 PWs) bands (ev): -42.8538 -42.8538 -42.7644 -42.7644 -20.6391 -20.6391 -20.5224 -20.5224 -18.7222 -18.7222 -18.6157 -18.6157 -18.3275 -18.3275 -18.0664 -18.0664 -0.2750 -0.2750 0.0150 0.0150 1.3088 1.3088 5.8558 5.8558 7.3754 7.3754 7.4614 7.4614 7.9462 7.9462 8.5729 8.5729 8.7690 8.7690 9.9062 9.9062 10.0025 10.0025 10.7317 10.7317 11.0105 11.0105 13.6354 13.6354 14.1727 14.1727 15.0608 15.0608 15.1151 15.1151 k = 0.6359 0.1219-1.1864 ( 2997 PWs) bands (ev): -42.8562 -42.8562 -42.7633 -42.7633 -20.6402 -20.6402 -20.5150 -20.5150 -18.7212 -18.7212 -18.6119 -18.6119 -18.3254 -18.3254 -18.0647 -18.0647 -0.2829 -0.2829 -0.0016 -0.0016 1.2813 1.2813 5.9071 5.9071 7.4010 7.4010 7.4637 7.4637 7.9036 7.9036 8.5314 8.5314 8.8154 8.8154 9.9177 9.9177 9.9959 9.9959 10.7478 10.7478 11.0075 11.0075 13.5960 13.5960 14.1307 14.1307 15.0675 15.0675 15.1025 15.1025 k = 0.6330 0.1213-1.1594 ( 3004 PWs) bands (ev): -42.8588 -42.8588 -42.7625 -42.7625 -20.6412 -20.6412 -20.5073 -20.5073 -18.7202 -18.7202 -18.6078 -18.6078 -18.3231 -18.3231 -18.0628 -18.0628 -0.2919 -0.2919 -0.0202 -0.0202 1.2536 1.2536 5.9605 5.9605 7.4265 7.4265 7.4668 7.4668 7.8639 7.8639 8.4845 8.4845 8.8655 8.8655 9.9266 9.9266 9.9934 9.9934 10.7638 10.7638 11.0045 11.0045 13.5542 13.5542 14.0876 14.0876 15.0705 15.0705 15.0973 15.0973 k = 0.6300 0.1208-1.1324 ( 3006 PWs) bands (ev): -42.8615 -42.8615 -42.7615 -42.7615 -20.6421 -20.6421 -20.4993 -20.4993 -18.7191 -18.7191 -18.6033 -18.6033 -18.3204 -18.3204 -18.0609 -18.0609 -0.3023 -0.3023 -0.0407 -0.0407 1.2260 1.2260 6.0156 6.0156 7.4476 7.4476 7.4738 7.4738 7.8285 7.8285 8.4332 8.4332 8.9189 8.9189 9.9295 9.9295 9.9990 9.9990 10.7797 10.7797 11.0015 11.0015 13.5103 13.5103 14.0442 14.0442 15.0669 15.0669 15.1023 15.1023 k = 0.6271 0.1202-1.1053 ( 3004 PWs) bands (ev): -42.8643 -42.8643 -42.7605 -42.7605 -20.6428 -20.6428 -20.4909 -20.4909 -18.7180 -18.7180 -18.5984 -18.5984 -18.3175 -18.3175 -18.0589 -18.0589 -0.3141 -0.3141 -0.0632 -0.0632 1.1991 1.1991 6.0713 6.0713 7.4573 7.4573 7.4900 7.4900 7.7991 7.7991 8.3787 8.3787 8.9755 8.9755 9.9255 9.9255 10.0131 10.0131 10.7950 10.7950 10.9986 10.9986 13.4646 13.4646 14.0010 14.0010 15.0607 15.0607 15.1128 15.1128 k = 0.6241 0.1196-1.0783 ( 3002 PWs) bands (ev): -42.8672 -42.8672 -42.7595 -42.7595 -20.6433 -20.6433 -20.4823 -20.4823 -18.7169 -18.7169 -18.5932 -18.5932 -18.3142 -18.3142 -18.0568 -18.0568 -0.3274 -0.3274 -0.0877 -0.0877 1.1733 1.1733 6.1269 6.1269 7.4596 7.4596 7.5087 7.5087 7.7778 7.7778 8.3225 8.3225 9.0350 9.0350 9.9176 9.9176 10.0332 10.0332 10.8097 10.8097 10.9959 10.9959 13.4176 13.4176 13.9587 13.9587 15.0549 15.0549 15.1258 15.1258 k = 0.6212 0.1191-1.0513 ( 3004 PWs) bands (ev): -42.8702 -42.8702 -42.7586 -42.7586 -20.6437 -20.6437 -20.4734 -20.4734 -18.7158 -18.7158 -18.5876 -18.5876 -18.3107 -18.3107 -18.0547 -18.0547 -0.3423 -0.3423 -0.1141 -0.1141 1.1491 1.1491 6.1814 6.1814 7.4595 7.4595 7.5225 7.5225 7.7664 7.7664 8.2669 8.2669 9.0973 9.0973 9.9079 9.9079 10.0570 10.0570 10.8234 10.8234 10.9934 10.9934 13.3696 13.3696 13.9178 13.9178 15.0498 15.0498 15.1402 15.1402 k = 0.6182 0.1185-1.0243 ( 3002 PWs) bands (ev): -42.8733 -42.8733 -42.7576 -42.7576 -20.6439 -20.6439 -20.4642 -20.4642 -18.7147 -18.7147 -18.5817 -18.5817 -18.3068 -18.3068 -18.0525 -18.0525 -0.3589 -0.3589 -0.1427 -0.1427 1.1268 1.1268 6.2338 6.2338 7.4580 7.4580 7.5287 7.5287 7.7643 7.7643 8.2153 8.2153 9.1621 9.1621 9.8979 9.8979 10.0831 10.0831 10.8360 10.8360 10.9912 10.9912 13.3210 13.3210 13.8787 13.8787 15.0455 15.0455 15.1558 15.1558 k = 0.6153 0.1179-0.9973 ( 2996 PWs) bands (ev): -42.8763 -42.8763 -42.7567 -42.7567 -20.6440 -20.6440 -20.4549 -20.4549 -18.7136 -18.7136 -18.5755 -18.5755 -18.3025 -18.3025 -18.0503 -18.0503 -0.3770 -0.3770 -0.1733 -0.1733 1.1068 1.1068 6.2828 6.2828 7.4553 7.4553 7.5286 7.5286 7.7664 7.7664 8.1731 8.1731 9.2291 9.2291 9.8883 9.8883 10.1111 10.1111 10.8473 10.8473 10.9893 10.9893 13.2722 13.2722 13.8418 13.8418 15.0418 15.0418 15.1725 15.1725 k = 0.6123 0.1174-0.9702 ( 3000 PWs) bands (ev): -42.8795 -42.8795 -42.7559 -42.7559 -20.6439 -20.6439 -20.4454 -20.4454 -18.7126 -18.7126 -18.5689 -18.5689 -18.2979 -18.2979 -18.0481 -18.0481 -0.3968 -0.3968 -0.2059 -0.2059 1.0892 1.0892 6.3275 6.3275 7.4511 7.4511 7.5249 7.5249 7.7640 7.7640 8.1477 8.1477 9.2980 9.2980 9.8795 9.8795 10.1405 10.1405 10.8569 10.8569 10.9877 10.9877 13.2235 13.2235 13.8075 13.8075 15.0382 15.0382 15.1900 15.1900 k = 0.6093 0.1168-0.9432 ( 2997 PWs) bands (ev): -42.8826 -42.8826 -42.7551 -42.7551 -20.6437 -20.6437 -20.4357 -20.4357 -18.7115 -18.7115 -18.5621 -18.5621 -18.2930 -18.2930 -18.0460 -18.0460 -0.4181 -0.4181 -0.2405 -0.2405 1.0744 1.0744 6.3665 6.3665 7.4454 7.4454 7.5199 7.5199 7.7500 7.7500 8.1456 8.1456 9.3685 9.3685 9.8720 9.8720 10.1710 10.1710 10.8649 10.8649 10.9863 10.9863 13.1753 13.1753 13.7760 13.7760 15.0346 15.0346 15.2083 15.2083 k = 0.6064 0.1162-0.9162 ( 2995 PWs) bands (ev): -42.8859 -42.8859 -42.7543 -42.7543 -20.6434 -20.6434 -20.4259 -20.4259 -18.7106 -18.7106 -18.5550 -18.5550 -18.2877 -18.2877 -18.0438 -18.0438 -0.4409 -0.4409 -0.2771 -0.2771 1.0623 1.0623 6.3990 6.3990 7.4375 7.4375 7.5131 7.5131 7.7258 7.7258 8.1675 8.1675 9.4403 9.4403 9.8661 9.8661 10.2023 10.2023 10.8710 10.8710 10.9850 10.9850 13.1279 13.1279 13.7476 13.7476 15.0307 15.0307 15.2271 15.2271 k = 0.6034 0.1157-0.8892 ( 2986 PWs) bands (ev): -42.8891 -42.8891 -42.7534 -42.7534 -20.6429 -20.6429 -20.4160 -20.4160 -18.7096 -18.7096 -18.5476 -18.5476 -18.2821 -18.2821 -18.0417 -18.0417 -0.4650 -0.4650 -0.3155 -0.3155 1.0531 1.0531 6.4241 6.4241 7.4267 7.4267 7.5001 7.5001 7.7024 7.7024 8.2089 8.2089 9.5129 9.5129 9.8622 9.8622 10.2344 10.2344 10.8753 10.8753 10.9838 10.9838 13.0816 13.0816 13.7225 13.7225 15.0259 15.0259 15.2461 15.2461 k = 0.6005 0.1151-0.8621 ( 2990 PWs) bands (ev): -42.8924 -42.8924 -42.7527 -42.7527 -20.6424 -20.6424 -20.4061 -20.4061 -18.7087 -18.7087 -18.5400 -18.5400 -18.2762 -18.2762 -18.0397 -18.0397 -0.4905 -0.4905 -0.3554 -0.3554 1.0466 1.0466 6.4415 6.4415 7.4111 7.4111 7.4749 7.4749 7.6935 7.6935 8.2642 8.2642 9.5859 9.5859 9.8606 9.8606 10.2669 10.2669 10.8776 10.8776 10.9825 10.9825 13.0369 13.0369 13.7007 13.7007 15.0197 15.0197 15.2641 15.2641 k = 0.5975 0.1145-0.8351 ( 2991 PWs) bands (ev): -42.8957 -42.8957 -42.7521 -42.7521 -20.6417 -20.6417 -20.3961 -20.3961 -18.7079 -18.7079 -18.5321 -18.5321 -18.2700 -18.2700 -18.0377 -18.0377 -0.5172 -0.5172 -0.3968 -0.3968 1.0429 1.0429 6.4513 6.4513 7.3851 7.3851 7.4415 7.4415 7.7053 7.7053 8.3294 8.3294 9.6588 9.6588 9.8615 9.8615 10.2998 10.2998 10.8781 10.8781 10.9813 10.9813 12.9939 12.9939 13.6824 13.6824 15.0115 15.0115 15.2759 15.2759 k = 0.5946 0.1140-0.8081 ( 2988 PWs) bands (ev): -42.8990 -42.8990 -42.7515 -42.7515 -20.6410 -20.6410 -20.3861 -20.3861 -18.7071 -18.7071 -18.5240 -18.5240 -18.2635 -18.2635 -18.0358 -18.0358 -0.5452 -0.5452 -0.4392 -0.4392 1.0417 1.0417 6.4536 6.4536 7.3402 7.3402 7.4137 7.4137 7.7347 7.7347 8.4019 8.4019 9.7310 9.7310 9.8651 9.8651 10.3327 10.3327 10.8769 10.8769 10.9802 10.9802 12.9530 12.9530 13.6674 13.6674 15.0001 15.0001 15.2586 15.2586 k = 0.5916 0.1134-0.7811 ( 2986 PWs) bands (ev): -42.9022 -42.9022 -42.7509 -42.7509 -20.6402 -20.6402 -20.3761 -20.3761 -18.7063 -18.7063 -18.5157 -18.5157 -18.2567 -18.2567 -18.0340 -18.0340 -0.5746 -0.5746 -0.4821 -0.4821 1.0429 1.0429 6.4491 6.4491 7.2814 7.2814 7.3923 7.3923 7.7769 7.7769 8.4801 8.4801 9.8018 9.8018 9.8719 9.8719 10.3653 10.3653 10.8739 10.8739 10.9795 10.9795 12.9143 12.9143 13.6557 13.6557 14.9843 14.9843 15.2196 15.2196 k = 0.5887 0.1128-0.7540 ( 2986 PWs) bands (ev): -42.9054 -42.9054 -42.7504 -42.7504 -20.6394 -20.6394 -20.3661 -20.3661 -18.7056 -18.7056 -18.5073 -18.5073 -18.2496 -18.2496 -18.0322 -18.0322 -0.6055 -0.6055 -0.5251 -0.5251 1.0463 1.0463 6.4383 6.4383 7.2176 7.2176 7.3724 7.3724 7.8289 7.8289 8.5630 8.5630 9.8672 9.8672 9.8851 9.8851 10.3972 10.3972 10.8692 10.8692 10.9798 10.9798 12.8780 12.8780 13.6472 13.6472 14.9622 14.9622 15.1805 15.1805 k = 0.5857 0.1123-0.7270 ( 2986 PWs) bands (ev): -42.9087 -42.9087 -42.7499 -42.7499 -20.6385 -20.6385 -20.3562 -20.3562 -18.7049 -18.7049 -18.4987 -18.4987 -18.2424 -18.2424 -18.0306 -18.0306 -0.6385 -0.6385 -0.5672 -0.5672 1.0517 1.0517 6.4220 6.4220 7.1531 7.1531 7.3522 7.3522 7.8884 7.8884 8.6496 8.6496 9.8913 9.8913 9.9402 9.9402 10.4278 10.4278 10.8628 10.8628 10.9819 10.9819 12.8443 12.8443 13.6414 13.6414 14.9325 14.9325 15.1469 15.1469 k = 0.5827 0.1117-0.7000 ( 2986 PWs) bands (ev): -42.9118 -42.9118 -42.7495 -42.7495 -20.6375 -20.6375 -20.3463 -20.3463 -18.7043 -18.7043 -18.4899 -18.4899 -18.2349 -18.2349 -18.0291 -18.0291 -0.6741 -0.6741 -0.6075 -0.6075 1.0588 1.0588 6.4005 6.4005 7.0901 7.0901 7.3311 7.3311 7.9539 7.9539 8.7393 8.7393 9.9074 9.9074 10.0032 10.0032 10.4560 10.4560 10.8546 10.8546 10.9872 10.9872 12.8132 12.8132 13.6380 13.6380 14.8954 14.8954 15.1203 15.1203 k = 0.5798 0.1111-0.6730 ( 2987 PWs) bands (ev): -42.9150 -42.9150 -42.7491 -42.7491 -20.6366 -20.6366 -20.3366 -20.3366 -18.7037 -18.7037 -18.4810 -18.4810 -18.2272 -18.2272 -18.0278 -18.0278 -0.7128 -0.7128 -0.6451 -0.6451 1.0675 1.0675 6.3744 6.3744 7.0303 7.0303 7.3089 7.3089 8.0243 8.0243 8.8316 8.8316 9.9261 9.9261 10.0628 10.0628 10.4809 10.4809 10.8446 10.8446 10.9972 10.9972 12.7847 12.7847 13.6365 13.6365 14.8526 14.8526 15.0999 15.0999 k = 0.5768 0.1106-0.6459 ( 2981 PWs) bands (ev): -42.9181 -42.9181 -42.7486 -42.7486 -20.6356 -20.6356 -20.3270 -20.3270 -18.7031 -18.7031 -18.4720 -18.4720 -18.2195 -18.2195 -18.0265 -18.0265 -0.7544 -0.7544 -0.6799 -0.6799 1.0774 1.0774 6.3437 6.3437 6.9747 6.9747 7.2857 7.2857 8.0987 8.0987 8.9259 8.9259 9.9477 9.9477 10.1179 10.1179 10.5014 10.5014 10.8326 10.8326 11.0137 11.0137 12.7588 12.7588 13.6363 13.6363 14.8069 14.8069 15.0841 15.0841 k = 0.5739 0.1100-0.6189 ( 2979 PWs) bands (ev): -42.9211 -42.9211 -42.7483 -42.7483 -20.6345 -20.6345 -20.3175 -20.3175 -18.7026 -18.7026 -18.4630 -18.4630 -18.2116 -18.2116 -18.0254 -18.0254 -0.7980 -0.7980 -0.7124 -0.7124 1.0885 1.0885 6.3089 6.3089 6.9243 6.9243 7.2615 7.2615 8.1764 8.1764 9.0216 9.0216 9.9723 9.9723 10.1679 10.1679 10.5165 10.5165 10.8187 10.8187 11.0381 11.0381 12.7354 12.7354 13.6364 13.6364 14.7609 14.7609 15.0715 15.0715 k = 0.5709 0.1094-0.5919 ( 2979 PWs) bands (ev): -42.9240 -42.9240 -42.7480 -42.7480 -20.6335 -20.6335 -20.3083 -20.3083 -18.7021 -18.7021 -18.4539 -18.4539 -18.2036 -18.2036 -18.0244 -18.0244 -0.8428 -0.8428 -0.7432 -0.7432 1.1004 1.1004 6.2702 6.2702 6.8795 6.8795 7.2365 7.2365 8.2568 8.2568 9.1183 9.1183 9.9996 9.9996 10.2120 10.2120 10.5261 10.5261 10.8030 10.8030 11.0711 11.0711 12.7143 12.7143 13.6361 13.6361 14.7166 14.7166 15.0613 15.0613 k = 0.5680 0.1089-0.5649 ( 2977 PWs) bands (ev): -42.9269 -42.9269 -42.7478 -42.7478 -20.6325 -20.6325 -20.2992 -20.2992 -18.7016 -18.7016 -18.4447 -18.4447 -18.1956 -18.1956 -18.0236 -18.0236 -0.8881 -0.8881 -0.7726 -0.7726 1.1130 1.1130 6.2280 6.2280 6.8408 6.8408 7.2109 7.2109 8.3394 8.3394 9.2155 9.2155 10.0296 10.0296 10.2494 10.2494 10.5312 10.5312 10.7857 10.7857 11.1124 11.1124 12.6953 12.6953 13.6344 13.6344 14.6758 14.6758 15.0528 15.0528 k = 0.5650 0.1083-0.5378 ( 2977 PWs) bands (ev): -42.9297 -42.9297 -42.7476 -42.7476 -20.6315 -20.6315 -20.2903 -20.2903 -18.7012 -18.7012 -18.4356 -18.4356 -18.1876 -18.1876 -18.0228 -18.0228 -0.9332 -0.9332 -0.8010 -0.8010 1.1262 1.1262 6.1827 6.1827 6.8081 6.8081 7.1847 7.1847 8.4238 8.4238 9.3126 9.3126 10.0619 10.0619 10.2789 10.2789 10.5336 10.5336 10.7673 10.7673 11.1613 11.1613 12.6782 12.6782 13.6304 13.6304 14.6398 14.6398 15.0459 15.0459 k = 0.5621 0.1077-0.5108 ( 2968 PWs) bands (ev): -42.9323 -42.9323 -42.7473 -42.7473 -20.6305 -20.6305 -20.2817 -20.2817 -18.7007 -18.7007 -18.4266 -18.4266 -18.1797 -18.1797 -18.0223 -18.0223 -0.9778 -0.9778 -0.8284 -0.8284 1.1396 1.1396 6.1352 6.1352 6.7812 6.7812 7.1583 7.1583 8.5097 8.5097 9.4090 9.4090 10.0965 10.0965 10.2990 10.2990 10.5361 10.5361 10.7481 10.7481 11.2164 11.2164 12.6626 12.6626 13.6232 13.6232 14.6094 14.6094 15.0406 15.0406 k = 0.5591 0.1072-0.4838 ( 2970 PWs) bands (ev): -42.9350 -42.9350 -42.7472 -42.7472 -20.6296 -20.6296 -20.2734 -20.2734 -18.7003 -18.7003 -18.4176 -18.4176 -18.1718 -18.1718 -18.0218 -18.0218 -1.0217 -1.0217 -0.8548 -0.8548 1.1533 1.1533 6.0861 6.0861 6.7597 6.7597 7.1317 7.1317 8.5967 8.5967 9.5040 9.5040 10.1328 10.1328 10.3081 10.3081 10.5415 10.5415 10.7286 10.7286 11.2764 11.2764 12.6481 12.6481 13.6122 13.6122 14.5852 14.5852 15.0369 15.0369 k = 0.5561 0.1066-0.4568 ( 2974 PWs) bands (ev): -42.9375 -42.9375 -42.7471 -42.7471 -20.6286 -20.6286 -20.2653 -20.2653 -18.7000 -18.7000 -18.4087 -18.4087 -18.1640 -18.1640 -18.0215 -18.0215 -1.0645 -1.0645 -0.8803 -0.8803 1.1670 1.1670 6.0361 6.0361 6.7431 6.7431 7.1052 7.1052 8.6845 8.6845 9.5972 9.5972 10.1704 10.1704 10.3059 10.3059 10.5514 10.5514 10.7094 10.7094 11.3400 11.3400 12.6345 12.6345 13.5972 13.5972 14.5669 14.5669 15.0348 15.0348 k = 0.5532 0.1060-0.4297 ( 2975 PWs) bands (ev): -42.9400 -42.9400 -42.7471 -42.7471 -20.6277 -20.6277 -20.2575 -20.2575 -18.6996 -18.6996 -18.3999 -18.3999 -18.1564 -18.1564 -18.0214 -18.0214 -1.1061 -1.1061 -0.9049 -0.9049 1.1806 1.1806 5.9859 5.9859 6.7310 6.7310 7.0790 7.0790 8.7728 8.7728 9.6876 9.6876 10.2087 10.2087 10.2939 10.2939 10.5658 10.5658 10.6915 10.6915 11.4061 11.4061 12.6213 12.6213 13.5783 13.5783 14.5542 14.5542 15.0329 15.0329 k = 0.5502 0.1055-0.4027 ( 2971 PWs) bands (ev): -42.9423 -42.9423 -42.7469 -42.7469 -20.6268 -20.6268 -20.2501 -20.2501 -18.6993 -18.6993 -18.3913 -18.3913 -18.1490 -18.1490 -18.0213 -18.0213 -1.1463 -1.1463 -0.9284 -0.9284 1.1940 1.1940 5.9361 5.9361 6.7229 6.7229 7.0531 7.0531 8.8614 8.8614 9.7742 9.7742 10.2459 10.2459 10.2755 10.2755 10.5830 10.5830 10.6759 10.6759 11.4738 11.4738 12.6081 12.6081 13.5558 13.5558 14.5459 14.5459 15.0169 15.0169 k = 0.5473 0.1049-0.3757 ( 2969 PWs) bands (ev): -42.9446 -42.9446 -42.7468 -42.7468 -20.6260 -20.6260 -20.2430 -20.2430 -18.6989 -18.6989 -18.3828 -18.3828 -18.1418 -18.1418 -18.0213 -18.0213 -1.1849 -1.1849 -0.9509 -0.9509 1.2071 1.2071 5.8873 5.8873 6.7182 6.7182 7.0279 7.0279 8.9498 8.9498 9.8558 9.8558 10.2477 10.2477 10.2868 10.2868 10.6009 10.6009 10.6647 10.6647 11.5423 11.5423 12.5947 12.5947 13.5304 13.5304 14.5410 14.5410 14.9666 14.9666 k = 0.5443 0.1043-0.3487 ( 2969 PWs) bands (ev): -42.9467 -42.9467 -42.7468 -42.7468 -20.6252 -20.6252 -20.2362 -20.2362 -18.6986 -18.6986 -18.3747 -18.3747 -18.1349 -18.1349 -18.0215 -18.0215 -1.2218 -1.2218 -0.9723 -0.9723 1.2197 1.2197 5.8400 5.8400 6.7167 6.7167 7.0034 7.0034 9.0377 9.0377 9.9303 9.9303 10.2227 10.2227 10.3208 10.3208 10.6162 10.6162 10.6622 10.6622 11.6110 11.6110 12.5806 12.5806 13.5028 13.5028 14.5383 14.5383 14.9110 14.9110 k = 0.5414 0.1038-0.3217 ( 2973 PWs) bands (ev): -42.9488 -42.9488 -42.7468 -42.7468 -20.6244 -20.6244 -20.2298 -20.2298 -18.6983 -18.6983 -18.3667 -18.3667 -18.1283 -18.1283 -18.0217 -18.0217 -1.2569 -1.2569 -0.9925 -0.9925 1.2319 1.2319 5.7944 5.7944 6.7177 6.7177 6.9798 6.9798 9.1249 9.1249 9.9934 9.9934 10.2001 10.2001 10.3507 10.3507 10.6260 10.6260 10.6723 10.6723 11.6793 11.6793 12.5657 12.5657 13.4737 13.4737 14.5366 14.5366 14.8575 14.8575 k = 0.5384 0.1032-0.2946 ( 2976 PWs) bands (ev): -42.9507 -42.9507 -42.7467 -42.7467 -20.6237 -20.6237 -20.2238 -20.2238 -18.6980 -18.6980 -18.3591 -18.3591 -18.1220 -18.1220 -18.0220 -18.0220 -1.2900 -1.2900 -1.0116 -1.0116 1.2435 1.2435 5.7510 5.7510 6.7210 6.7210 6.9572 6.9572 9.2110 9.2110 10.0352 10.0352 10.1906 10.1906 10.3737 10.3737 10.6361 10.6361 10.6919 10.6919 11.7468 11.7468 12.5496 12.5496 13.4438 13.4438 14.5353 14.5353 14.8072 14.8072 k = 0.5355 0.1026-0.2676 ( 2974 PWs) bands (ev): -42.9526 -42.9526 -42.7466 -42.7466 -20.6231 -20.6231 -20.2182 -20.2182 -18.6978 -18.6978 -18.3518 -18.3518 -18.1161 -18.1161 -18.0224 -18.0224 -1.3211 -1.3211 -1.0294 -1.0294 1.2544 1.2544 5.7100 5.7100 6.7261 6.7261 6.9358 6.9358 9.2955 9.2955 10.0435 10.0435 10.2064 10.2064 10.3882 10.3882 10.6526 10.6526 10.7159 10.7159 11.8132 11.8132 12.5324 12.5324 13.4137 13.4137 14.5338 14.5338 14.7606 14.7606 k = 0.5325 0.1021-0.2406 ( 2974 PWs) bands (ev): -42.9542 -42.9542 -42.7466 -42.7466 -20.6225 -20.6225 -20.2130 -20.2130 -18.6975 -18.6975 -18.3449 -18.3449 -18.1106 -18.1106 -18.0228 -18.0228 -1.3501 -1.3501 -1.0460 -1.0460 1.2647 1.2647 5.6716 5.6716 6.7326 6.7326 6.9158 6.9158 9.3781 9.3781 10.0264 10.0264 10.2395 10.2395 10.3944 10.3944 10.6770 10.6770 10.7425 10.7425 11.8780 11.8780 12.5139 12.5139 13.3836 13.3836 14.5320 14.5320 14.7179 14.7179 k = 0.5296 0.1015-0.2136 ( 2963 PWs) bands (ev): -42.9556 -42.9556 -42.7465 -42.7465 -20.6219 -20.6219 -20.2082 -20.2082 -18.6973 -18.6973 -18.3385 -18.3385 -18.1056 -18.1056 -18.0232 -18.0232 -1.3768 -1.3768 -1.0612 -1.0612 1.2741 1.2741 5.6360 5.6360 6.7402 6.7402 6.8971 6.8971 9.4584 9.4584 9.9992 9.9992 10.2743 10.2743 10.3944 10.3944 10.7077 10.7077 10.7710 10.7710 11.9409 11.9409 12.4944 12.4944 13.3540 13.3540 14.5297 14.5297 14.6793 14.6793 k = 0.5266 0.1009-0.1865 ( 2961 PWs) bands (ev): -42.9569 -42.9569 -42.7465 -42.7465 -20.6214 -20.6214 -20.2038 -20.2038 -18.6971 -18.6971 -18.3324 -18.3324 -18.1009 -18.1009 -18.0235 -18.0235 -1.4012 -1.4012 -1.0751 -1.0751 1.2828 1.2828 5.6034 5.6034 6.7485 6.7485 6.8799 6.8799 9.5358 9.5358 9.9691 9.9691 10.3038 10.3038 10.3906 10.3906 10.7421 10.7421 10.8011 10.8011 12.0014 12.0014 12.4740 12.4740 13.3249 13.3249 14.5270 14.5270 14.6449 14.6449 k = 0.5236 0.1004-0.1595 ( 2961 PWs) bands (ev): -42.9582 -42.9582 -42.7465 -42.7465 -20.6209 -20.6209 -20.1998 -20.1998 -18.6969 -18.6969 -18.3269 -18.3269 -18.0968 -18.0968 -18.0239 -18.0239 -1.4232 -1.4232 -1.0877 -1.0877 1.2907 1.2907 5.5740 5.5740 6.7571 6.7571 6.8644 6.8644 9.6098 9.6098 9.9391 9.9391 10.3254 10.3254 10.3853 10.3853 10.7778 10.7778 10.8321 10.8321 12.0591 12.0591 12.4533 12.4533 13.2966 13.2966 14.5239 14.5239 14.6146 14.6146 k = 0.5207 0.0998-0.1325 ( 2956 PWs) bands (ev): -42.9593 -42.9593 -42.7464 -42.7464 -20.6205 -20.6205 -20.1964 -20.1964 -18.6967 -18.6967 -18.3220 -18.3220 -18.0932 -18.0932 -18.0243 -18.0243 -1.4428 -1.4428 -1.0988 -1.0988 1.2977 1.2977 5.5478 5.5478 6.7656 6.7656 6.8506 6.8506 9.6798 9.6798 9.9107 9.9107 10.3382 10.3382 10.3804 10.3804 10.8128 10.8128 10.8634 10.8634 12.1133 12.1133 12.4328 12.4328 13.2692 13.2692 14.5206 14.5206 14.5885 14.5885 k = 0.5177 0.0992-0.1055 ( 2953 PWs) bands (ev): -42.9602 -42.9602 -42.7464 -42.7464 -20.6201 -20.6201 -20.1933 -20.1933 -18.6966 -18.6966 -18.3175 -18.3175 -18.0900 -18.0900 -18.0246 -18.0246 -1.4599 -1.4599 -1.1085 -1.1085 1.3038 1.3038 5.5249 5.5249 6.7737 6.7737 6.8386 6.8386 9.7448 9.7448 9.8847 9.8847 10.3425 10.3425 10.3769 10.3769 10.8457 10.8457 10.8939 10.8939 12.1629 12.1629 12.4135 12.4135 13.2431 13.2431 14.5168 14.5168 14.5665 14.5665 k = 0.5148 0.0987-0.0784 ( 2952 PWs) bands (ev): -42.9610 -42.9610 -42.7464 -42.7464 -20.6198 -20.6198 -20.1907 -20.1907 -18.6964 -18.6964 -18.3138 -18.3138 -18.0874 -18.0874 -18.0248 -18.0248 -1.4744 -1.4744 -1.1167 -1.1167 1.3090 1.3090 5.5054 5.5054 6.7809 6.7809 6.8285 6.8285 9.8035 9.8035 9.8626 9.8626 10.3408 10.3408 10.3738 10.3738 10.8753 10.8753 10.9224 10.9224 12.2068 12.2068 12.3964 12.3964 13.2188 13.2188 14.5124 14.5124 14.5486 14.5486 k = 0.5118 0.0981-0.0514 ( 2954 PWs) bands (ev): -42.9617 -42.9617 -42.7464 -42.7464 -20.6196 -20.6196 -20.1886 -20.1886 -18.6963 -18.6963 -18.3106 -18.3106 -18.0852 -18.0852 -18.0250 -18.0250 -1.4863 -1.4863 -1.1235 -1.1235 1.3132 1.3132 5.4893 5.4893 6.7869 6.7869 6.8206 6.8206 9.8362 9.8362 9.8632 9.8632 10.3363 10.3363 10.3696 10.3696 10.9006 10.9006 10.9479 10.9479 12.2430 12.2430 12.3833 12.3833 13.1968 13.1968 14.5071 14.5071 14.5350 14.5350 k = 0.5089 0.0975-0.0244 ( 2958 PWs) bands (ev): -42.9622 -42.9622 -42.7465 -42.7465 -20.6194 -20.6194 -20.1869 -20.1869 -18.6962 -18.6962 -18.3081 -18.3081 -18.0836 -18.0836 -18.0252 -18.0252 -1.4956 -1.4956 -1.1288 -1.1288 1.3166 1.3166 5.4768 5.4768 6.7912 6.7912 6.8151 6.8151 9.8240 9.8240 9.9045 9.9045 10.3309 10.3309 10.3642 10.3642 10.9210 10.9210 10.9691 10.9691 12.2691 12.2691 12.3759 12.3759 13.1781 13.1781 14.5011 14.5011 14.5256 14.5256 k = 0.5059 0.0970 0.0026 ( 2958 PWs) bands (ev): -42.9626 -42.9626 -42.7465 -42.7465 -20.6193 -20.6193 -20.1858 -20.1858 -18.6962 -18.6962 -18.3063 -18.3063 -18.0824 -18.0824 -18.0253 -18.0253 -1.5023 -1.5023 -1.1326 -1.1326 1.3190 1.3190 5.4678 5.4678 6.7933 6.7933 6.8122 6.8122 9.8130 9.8130 9.9386 9.9386 10.3258 10.3258 10.3590 10.3590 10.9360 10.9360 10.9850 10.9850 12.2840 12.2840 12.3751 12.3751 13.1637 13.1637 14.4955 14.4955 14.5195 14.5195 k = 0.5030 0.0964 0.0297 ( 2954 PWs) bands (ev): -42.9628 -42.9628 -42.7465 -42.7465 -20.6192 -20.6192 -20.1851 -20.1851 -18.6961 -18.6961 -18.3053 -18.3053 -18.0817 -18.0817 -18.0253 -18.0253 -1.5063 -1.5063 -1.1348 -1.1348 1.3204 1.3204 5.4625 5.4625 6.7939 6.7939 6.8112 6.8112 9.8062 9.8062 9.9605 9.9605 10.3219 10.3219 10.3551 10.3551 10.9452 10.9452 10.9949 10.9949 12.2900 12.2900 12.3780 12.3780 13.1546 13.1546 14.4915 14.4915 14.5162 14.5162 k = 0.5000 0.0958 0.0567 ( 2958 PWs) bands (ev): -42.9629 -42.9629 -42.7465 -42.7465 -20.6192 -20.6192 -20.1848 -20.1848 -18.6961 -18.6961 -18.3049 -18.3049 -18.0815 -18.0815 -18.0253 -18.0253 -1.5077 -1.5077 -1.1356 -1.1356 1.3209 1.3209 5.4607 5.4607 6.7939 6.7939 6.8111 6.8111 9.8039 9.8039 9.9681 9.9681 10.3204 10.3204 10.3538 10.3538 10.9482 10.9482 10.9982 10.9982 12.2913 12.2913 12.3796 12.3796 13.1514 13.1514 14.4901 14.4901 14.5150 14.5150 k = 0.5000-1.2564-0.7432 ( 3002 PWs) bands (ev): -42.8419 -42.8419 -42.7696 -42.7696 -20.6284 -20.6284 -20.5616 -20.5616 -18.7273 -18.7273 -18.6327 -18.6327 -18.3358 -18.3358 -18.0748 -18.0748 -0.2684 -0.2684 0.1211 0.1211 1.4451 1.4451 5.6059 5.6059 7.3785 7.3785 7.4527 7.4527 8.1320 8.1320 8.3877 8.3877 8.7210 8.7210 9.9870 9.9870 10.1115 10.1115 10.4685 10.4685 11.0933 11.0933 13.8396 13.8396 14.4368 14.4368 15.0117 15.0117 15.3956 15.3956 k = 0.5250-1.2490-0.7388 ( 3000 PWs) bands (ev): -42.8419 -42.8419 -42.7697 -42.7697 -20.6284 -20.6284 -20.5616 -20.5616 -18.7273 -18.7273 -18.6327 -18.6327 -18.3358 -18.3358 -18.0748 -18.0748 -0.2681 -0.2681 0.1208 0.1208 1.4453 1.4453 5.6058 5.6058 7.3770 7.3770 7.4526 7.4526 8.1337 8.1337 8.3886 8.3886 8.7210 8.7210 9.9872 9.9872 10.1087 10.1087 10.4709 10.4709 11.0927 11.0927 13.8395 13.8395 14.4364 14.4364 15.0119 15.0119 15.3954 15.3954 k = 0.5500-1.2417-0.7344 ( 2998 PWs) bands (ev): -42.8418 -42.8418 -42.7697 -42.7697 -20.6284 -20.6284 -20.5615 -20.5615 -18.7273 -18.7273 -18.6327 -18.6327 -18.3358 -18.3358 -18.0748 -18.0748 -0.2675 -0.2675 0.1197 0.1197 1.4457 1.4457 5.6056 5.6056 7.3727 7.3727 7.4525 7.4525 8.1386 8.1386 8.3913 8.3913 8.7209 8.7209 9.9879 9.9879 10.1007 10.1007 10.4776 10.4776 11.0909 11.0909 13.8392 13.8392 14.4354 14.4354 15.0124 15.0124 15.3948 15.3948 k = 0.5750-1.2343-0.7301 ( 2998 PWs) bands (ev): -42.8418 -42.8418 -42.7697 -42.7697 -20.6284 -20.6284 -20.5615 -20.5615 -18.7273 -18.7273 -18.6327 -18.6327 -18.3358 -18.3358 -18.0748 -18.0748 -0.2665 -0.2665 0.1180 0.1180 1.4464 1.4464 5.6051 5.6051 7.3658 7.3658 7.4524 7.4524 8.1466 8.1466 8.3958 8.3958 8.7208 8.7208 9.9886 9.9886 10.0885 10.0885 10.4880 10.4880 11.0879 11.0879 13.8387 13.8387 14.4338 14.4338 15.0133 15.0133 15.3937 15.3937 k = 0.6000-1.2269-0.7257 ( 2995 PWs) bands (ev): -42.8418 -42.8418 -42.7697 -42.7697 -20.6284 -20.6284 -20.5615 -20.5615 -18.7273 -18.7273 -18.6327 -18.6327 -18.3358 -18.3358 -18.0748 -18.0748 -0.2650 -0.2650 0.1157 0.1157 1.4474 1.4474 5.6044 5.6044 7.3567 7.3567 7.4522 7.4522 8.1573 8.1573 8.4020 8.4020 8.7206 8.7206 9.9891 9.9891 10.0736 10.0736 10.5010 10.5010 11.0837 11.0837 13.8379 13.8379 14.4316 14.4316 15.0145 15.0145 15.3919 15.3919 k = 0.6250-1.2196-0.7214 ( 2991 PWs) bands (ev): -42.8417 -42.8417 -42.7696 -42.7696 -20.6284 -20.6284 -20.5614 -20.5614 -18.7272 -18.7272 -18.6327 -18.6327 -18.3358 -18.3358 -18.0748 -18.0748 -0.2632 -0.2632 0.1128 0.1128 1.4486 1.4486 5.6035 5.6035 7.3457 7.3457 7.4519 7.4519 8.1702 8.1702 8.4097 8.4097 8.7204 8.7204 9.9880 9.9880 10.0580 10.0580 10.5159 10.5159 11.0785 11.0785 13.8370 13.8370 14.4289 14.4289 15.0160 15.0160 15.3895 15.3895 k = 0.6500-1.2122-0.7170 ( 2994 PWs) bands (ev): -42.8418 -42.8418 -42.7697 -42.7697 -20.6285 -20.6285 -20.5613 -20.5613 -18.7272 -18.7272 -18.6326 -18.6326 -18.3358 -18.3358 -18.0748 -18.0748 -0.2609 -0.2609 0.1093 0.1093 1.4500 1.4500 5.6025 5.6025 7.3334 7.3334 7.4516 7.4516 8.1849 8.1849 8.4187 8.4187 8.7201 8.7201 9.9832 9.9832 10.0449 10.0449 10.5316 10.5316 11.0724 11.0724 13.8359 13.8359 14.4256 14.4256 15.0178 15.0178 15.3861 15.3861 k = 0.6750-1.2048-0.7126 ( 2994 PWs) bands (ev): -42.8418 -42.8418 -42.7696 -42.7696 -20.6285 -20.6285 -20.5612 -20.5612 -18.7272 -18.7272 -18.6326 -18.6326 -18.3358 -18.3358 -18.0748 -18.0748 -0.2584 -0.2584 0.1053 0.1053 1.4515 1.4515 5.6014 5.6014 7.3202 7.3202 7.4512 7.4512 8.2009 8.2009 8.4289 8.4289 8.7199 8.7199 9.9721 9.9721 10.0375 10.0375 10.5476 10.5476 11.0654 11.0654 13.8347 13.8347 14.4221 14.4221 15.0198 15.0198 15.3815 15.3815 k = 0.7000-1.1974-0.7083 ( 2997 PWs) bands (ev): -42.8418 -42.8418 -42.7697 -42.7697 -20.6285 -20.6285 -20.5612 -20.5612 -18.7272 -18.7272 -18.6326 -18.6326 -18.3358 -18.3358 -18.0747 -18.0747 -0.2556 -0.2556 0.1008 0.1008 1.4532 1.4532 5.6001 5.6001 7.3065 7.3065 7.4508 7.4508 8.2178 8.2178 8.4398 8.4398 8.7196 8.7196 9.9552 9.9552 10.0359 10.0359 10.5633 10.5633 11.0577 11.0577 13.8334 13.8334 14.4183 14.4183 15.0220 15.0220 15.3756 15.3756 k = 0.7250-1.1901-0.7039 ( 2997 PWs) bands (ev): -42.8418 -42.8418 -42.7697 -42.7697 -20.6286 -20.6286 -20.5610 -20.5610 -18.7272 -18.7272 -18.6325 -18.6325 -18.3358 -18.3358 -18.0747 -18.0747 -0.2525 -0.2525 0.0960 0.0960 1.4550 1.4550 5.5988 5.5988 7.2927 7.2927 7.4503 7.4503 8.2352 8.2352 8.4512 8.4512 8.7193 8.7193 9.9351 9.9351 10.0380 10.0380 10.5784 10.5784 11.0495 11.0495 13.8320 13.8320 14.4143 14.4143 15.0243 15.0243 15.3685 15.3685 k = 0.7501-1.1827-0.6996 ( 2999 PWs) bands (ev): -42.8420 -42.8420 -42.7696 -42.7696 -20.6286 -20.6286 -20.5609 -20.5609 -18.7272 -18.7272 -18.6325 -18.6325 -18.3357 -18.3357 -18.0747 -18.0747 -0.2492 -0.2492 0.0909 0.0909 1.4568 1.4568 5.5974 5.5974 7.2793 7.2793 7.4498 7.4498 8.2528 8.2528 8.4628 8.4628 8.7189 8.7189 9.9138 9.9138 10.0419 10.0419 10.5924 10.5924 11.0408 11.0408 13.8306 13.8306 14.4103 14.4103 15.0267 15.0267 15.3601 15.3601 k = 0.7751-1.1753-0.6952 ( 3001 PWs) bands (ev): -42.8420 -42.8420 -42.7696 -42.7696 -20.6287 -20.6287 -20.5608 -20.5608 -18.7272 -18.7272 -18.6324 -18.6324 -18.3357 -18.3357 -18.0747 -18.0747 -0.2458 -0.2458 0.0856 0.0856 1.4587 1.4587 5.5960 5.5960 7.2664 7.2664 7.4493 7.4493 8.2704 8.2704 8.4742 8.4742 8.7185 8.7185 9.8927 9.8927 10.0469 10.0469 10.6053 10.6053 11.0320 11.0320 13.8292 13.8292 14.4064 14.4064 15.0292 15.0292 15.3507 15.3507 k = 0.8001-1.1680-0.6908 ( 2995 PWs) bands (ev): -42.8420 -42.8420 -42.7695 -42.7695 -20.6287 -20.6287 -20.5606 -20.5606 -18.7272 -18.7272 -18.6324 -18.6324 -18.3357 -18.3357 -18.0747 -18.0747 -0.2422 -0.2422 0.0802 0.0802 1.4604 1.4604 5.5946 5.5946 7.2544 7.2544 7.4489 7.4489 8.2875 8.2875 8.4850 8.4850 8.7180 8.7180 9.8724 9.8724 10.0523 10.0523 10.6168 10.6168 11.0232 11.0232 13.8278 13.8278 14.4028 14.4028 15.0317 15.0317 15.3408 15.3408 k = 0.8251-1.1606-0.6865 ( 2999 PWs) bands (ev): -42.8421 -42.8421 -42.7695 -42.7695 -20.6288 -20.6288 -20.5605 -20.5605 -18.7271 -18.7271 -18.6323 -18.6323 -18.3357 -18.3357 -18.0746 -18.0746 -0.2387 -0.2387 0.0748 0.0748 1.4621 1.4621 5.5933 5.5933 7.2434 7.2434 7.4484 7.4484 8.3041 8.3041 8.4949 8.4949 8.7174 8.7174 9.8535 9.8535 10.0579 10.0579 10.6268 10.6268 11.0145 11.0145 13.8264 13.8264 14.3995 14.3995 15.0342 15.0342 15.3307 15.3307 Writing output data file Nb2CS2.save init_run : 0.47s CPU 0.74s WALL ( 1 calls) electrons : 391.43s CPU 395.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.06s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 391.42s CPU 395.00s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.08s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.06s WALL ( 353 calls) cegterg : 343.92s CPU 346.15s WALL ( 479 calls) Called by sum_band: Called by *egterg: h_psi : 320.66s CPU 322.58s WALL ( 7782 calls) s_psi : 5.28s CPU 5.10s WALL ( 7782 calls) g_psi : 0.11s CPU 0.17s WALL ( 6950 calls) cdiaghg : 49.96s CPU 50.84s WALL ( 7303 calls) cegterg:over : 4.73s CPU 4.61s WALL ( 6950 calls) cegterg:upda : 4.03s CPU 3.94s WALL ( 6950 calls) cegterg:last : 1.94s CPU 1.93s WALL ( 1185 calls) cdiaghg:chol : 2.91s CPU 2.91s WALL ( 7303 calls) cdiaghg:inve : 1.79s CPU 1.89s WALL ( 7303 calls) cdiaghg:para : 2.86s CPU 2.93s WALL ( 14606 calls) Called by h_psi: h_psi:vloc : 309.06s CPU 310.88s WALL ( 7782 calls) h_psi:vnl : 11.41s CPU 11.53s WALL ( 7782 calls) add_vuspsi : 5.90s CPU 6.09s WALL ( 7782 calls) General routines calbec : 5.47s CPU 5.42s WALL ( 7782 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 287.86s CPU 289.36s WALL ( 791716 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.15s CPU 0.20s WALL ( 706 calls) Parallel routines fft_scatter : 48.29s CPU 48.61s WALL ( 791739 calls) PWSCF : 6m47.06s CPU 7m25.89s WALL This run was terminated on: 17:36:13 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=