Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 0:18 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: ./TaCuN2.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 46 26 8 898 384 65 Max 47 27 9 902 398 67 Sum 1675 955 289 32379 14063 2361 bravais-lattice index = 14 lattice parameter (alat) = 11.5049 a.u. unit-cell volume = 334.0832 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.504887 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.867335 celldm(5)= 0.867335 celldm(6)= 0.867335 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.867335 0.497724 0.000000 ) a(3) = ( 0.867335 0.231182 0.440777 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.742603 -1.053770 ) b(2) = ( 0.000000 2.009145 -1.053770 ) b(3) = ( 0.000000 0.000000 2.268721 ) PseudoPot. # 1 for Ta read from file: /users/gautes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf 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 1273 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 Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ta 13.00 180.94790 Ta( 1.00) Cu 11.00 63.54600 Cu( 1.00) N 5.00 14.00670 N( 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= 383 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026110 k( 2) = ( 0.0084746 -0.0147678 -0.0089303), wk = 0.0026110 k( 3) = ( 0.0169491 -0.0295356 -0.0178605), wk = 0.0026110 k( 4) = ( 0.0254237 -0.0443035 -0.0267908), wk = 0.0026110 k( 5) = ( 0.0338983 -0.0590713 -0.0357210), wk = 0.0026110 k( 6) = ( 0.0423729 -0.0738391 -0.0446513), wk = 0.0026110 k( 7) = ( 0.0508475 -0.0886069 -0.0535815), wk = 0.0026110 k( 8) = ( 0.0593220 -0.1033747 -0.0625118), wk = 0.0026110 k( 9) = ( 0.0677966 -0.1181426 -0.0714420), wk = 0.0026110 k( 10) = ( 0.0762712 -0.1329104 -0.0803723), wk = 0.0026110 k( 11) = ( 0.0847458 -0.1476782 -0.0893025), wk = 0.0026110 k( 12) = ( 0.0932203 -0.1624460 -0.0982328), wk = 0.0026110 k( 13) = ( 0.1016949 -0.1772138 -0.1071631), wk = 0.0026110 k( 14) = ( 0.1101695 -0.1919816 -0.1160933), wk = 0.0026110 k( 15) = ( 0.1186441 -0.2067495 -0.1250236), wk = 0.0026110 k( 16) = ( 0.1271186 -0.2215173 -0.1339538), wk = 0.0026110 k( 17) = ( 0.1355932 -0.2362851 -0.1428841), wk = 0.0026110 k( 18) = ( 0.1440678 -0.2510529 -0.1518143), wk = 0.0026110 k( 19) = ( 0.1525424 -0.2658207 -0.1607446), wk = 0.0026110 k( 20) = ( 0.1610169 -0.2805886 -0.1696748), wk = 0.0026110 k( 21) = ( 0.1694915 -0.2953564 -0.1786051), wk = 0.0026110 k( 22) = ( 0.1779661 -0.3101242 -0.1875353), wk = 0.0026110 k( 23) = ( 0.1864407 -0.3248920 -0.1964656), wk = 0.0026110 k( 24) = ( 0.1949153 -0.3396598 -0.2053958), wk = 0.0026110 k( 25) = ( 0.2033898 -0.3544277 -0.2143261), wk = 0.0026110 k( 26) = ( 0.2118644 -0.3691955 -0.2232564), wk = 0.0026110 k( 27) = ( 0.2203390 -0.3839633 -0.2321866), wk = 0.0026110 k( 28) = ( 0.2288136 -0.3987311 -0.2411169), wk = 0.0026110 k( 29) = ( 0.2372881 -0.4134989 -0.2500471), wk = 0.0026110 k( 30) = ( 0.2457627 -0.4282667 -0.2589774), wk = 0.0026110 k( 31) = ( 0.2542373 -0.4430346 -0.2679076), wk = 0.0026110 k( 32) = ( 0.2627119 -0.4578024 -0.2768379), wk = 0.0026110 k( 33) = ( 0.2711864 -0.4725702 -0.2857681), wk = 0.0026110 k( 34) = ( 0.2796610 -0.4873380 -0.2946984), wk = 0.0026110 k( 35) = ( 0.2881356 -0.5021058 -0.3036286), wk = 0.0026110 k( 36) = ( 0.2966102 -0.5168737 -0.3125589), wk = 0.0026110 k( 37) = ( 0.3050848 -0.5316415 -0.3214892), wk = 0.0026110 k( 38) = ( 0.3135593 -0.5464093 -0.3304194), wk = 0.0026110 k( 39) = ( 0.3220339 -0.5611771 -0.3393497), wk = 0.0026110 k( 40) = ( 0.3305085 -0.5759449 -0.3482799), wk = 0.0026110 k( 41) = ( 0.3389831 -0.5907128 -0.3572102), wk = 0.0026110 k( 42) = ( 0.3474576 -0.6054806 -0.3661404), wk = 0.0026110 k( 43) = ( 0.3559322 -0.6202484 -0.3750707), wk = 0.0026110 k( 44) = ( 0.3644068 -0.6350162 -0.3840009), wk = 0.0026110 k( 45) = ( 0.3728814 -0.6497840 -0.3929312), wk = 0.0026110 k( 46) = ( 0.3813559 -0.6645519 -0.4018615), wk = 0.0026110 k( 47) = ( 0.3898305 -0.6793197 -0.4107917), wk = 0.0026110 k( 48) = ( 0.3983051 -0.6940875 -0.4197220), wk = 0.0026110 k( 49) = ( 0.4067797 -0.7088553 -0.4286522), wk = 0.0026110 k( 50) = ( 0.4152542 -0.7236231 -0.4375825), wk = 0.0026110 k( 51) = ( 0.4237288 -0.7383909 -0.4465127), wk = 0.0026110 k( 52) = ( 0.4322034 -0.7531588 -0.4554430), wk = 0.0026110 k( 53) = ( 0.4406780 -0.7679266 -0.4643732), wk = 0.0026110 k( 54) = ( 0.4491525 -0.7826944 -0.4733035), wk = 0.0026110 k( 55) = ( 0.4576271 -0.7974622 -0.4822337), wk = 0.0026110 k( 56) = ( 0.4661017 -0.8122300 -0.4911640), wk = 0.0026110 k( 57) = ( 0.4745763 -0.8269979 -0.5000943), wk = 0.0026110 k( 58) = ( 0.4830508 -0.8417657 -0.5090245), wk = 0.0026110 k( 59) = ( 0.4915254 -0.8565335 -0.5179548), wk = 0.0026110 k( 60) = ( 0.5000000 -0.8713013 -0.5268850), wk = 0.0026110 k( 61) = ( 0.5000000 -0.8713013 -0.5268850), wk = 0.0026110 k( 62) = ( 0.5000000 -0.8613730 -0.5433033), wk = 0.0026110 k( 63) = ( 0.5000000 -0.8514447 -0.5597215), wk = 0.0026110 k( 64) = ( 0.5000000 -0.8415164 -0.5761398), wk = 0.0026110 k( 65) = ( 0.5000000 -0.8315882 -0.5925580), wk = 0.0026110 k( 66) = ( 0.5000000 -0.8216599 -0.6089763), wk = 0.0026110 k( 67) = ( 0.5000000 -0.8117316 -0.6253946), wk = 0.0026110 k( 68) = ( 0.5000000 -0.8018033 -0.6418128), wk = 0.0026110 k( 69) = ( 0.5000000 -0.7918750 -0.6582311), wk = 0.0026110 k( 70) = ( 0.5000000 -0.7819467 -0.6746493), wk = 0.0026110 k( 71) = ( 0.5000000 -0.7720184 -0.6910676), wk = 0.0026110 k( 72) = ( 0.5000000 -0.7620901 -0.7074858), wk = 0.0026110 k( 73) = ( 0.5000000 -0.7521618 -0.7239041), wk = 0.0026110 k( 74) = ( 0.5000000 -0.7422335 -0.7403224), wk = 0.0026110 k( 75) = ( 0.5000000 -0.7323052 -0.7567406), wk = 0.0026110 k( 76) = ( 0.5000000 -0.7223769 -0.7731589), wk = 0.0026110 k( 77) = ( 0.5000000 -0.7124486 -0.7895771), wk = 0.0026110 k( 78) = ( 0.5000000 -0.7025204 -0.8059954), wk = 0.0026110 k( 79) = ( 0.5000000 -0.6925921 -0.8224137), wk = 0.0026110 k( 80) = ( 0.5000000 -0.6826638 -0.8388319), wk = 0.0026110 k( 81) = ( 0.5000000 -0.6727355 -0.8552502), wk = 0.0026110 k( 82) = ( 0.5000000 -0.6628072 -0.8716684), wk = 0.0026110 k( 83) = ( 0.5000000 -0.6528789 -0.8880867), wk = 0.0026110 k( 84) = ( 0.5000000 -0.6429506 -0.9045049), wk = 0.0026110 k( 85) = ( 0.5000000 -0.6330223 -0.9209232), wk = 0.0026110 k( 86) = ( 0.5000000 -0.6230940 -0.9373414), wk = 0.0026110 k( 87) = ( 0.5000000 -0.6131657 -0.9537597), wk = 0.0026110 k( 88) = ( 0.5000000 -0.6032374 -0.9701780), wk = 0.0026110 k( 89) = ( 0.5000000 -0.5933092 -0.9865962), wk = 0.0026110 k( 90) = ( 0.5000000 -0.5833809 -1.0030145), wk = 0.0026110 k( 91) = ( 0.5000000 -0.5734526 -1.0194327), wk = 0.0026110 k( 92) = ( 0.5000000 -0.5635243 -1.0358510), wk = 0.0026110 k( 93) = ( 0.5000000 -0.5535960 -1.0522692), wk = 0.0026110 k( 94) = ( 0.5000000 -0.5436677 -1.0686875), wk = 0.0026110 k( 95) = ( 0.5000000 -0.5337394 -1.0851057), wk = 0.0026110 k( 96) = ( 0.5000000 -0.5238111 -1.1015240), wk = 0.0026110 k( 97) = ( 0.5000000 -0.5138828 -1.1179423), wk = 0.0026110 k( 98) = ( 0.5000000 -0.5039545 -1.1343605), wk = 0.0026110 k( 99) = ( 0.8171626 -0.4194172 -0.9731795), wk = 0.0026110 k( 100) = ( 0.8122070 -0.4107815 -0.9567144), wk = 0.0026110 k( 101) = ( 0.8072513 -0.4021457 -0.9402492), wk = 0.0026110 k( 102) = ( 0.8022956 -0.3935100 -0.9237841), wk = 0.0026110 k( 103) = ( 0.7973400 -0.3848742 -0.9073189), wk = 0.0026110 k( 104) = ( 0.7923843 -0.3762384 -0.8908537), wk = 0.0026110 k( 105) = ( 0.7874286 -0.3676027 -0.8743886), wk = 0.0026110 k( 106) = ( 0.7824730 -0.3589669 -0.8579234), wk = 0.0026110 k( 107) = ( 0.7775173 -0.3503312 -0.8414583), wk = 0.0026110 k( 108) = ( 0.7725616 -0.3416954 -0.8249931), wk = 0.0026110 k( 109) = ( 0.7676060 -0.3330597 -0.8085280), wk = 0.0026110 k( 110) = ( 0.7626503 -0.3244239 -0.7920628), wk = 0.0026110 k( 111) = ( 0.7576946 -0.3157881 -0.7755976), wk = 0.0026110 k( 112) = ( 0.7527390 -0.3071524 -0.7591325), wk = 0.0026110 k( 113) = ( 0.7477833 -0.2985166 -0.7426673), wk = 0.0026110 k( 114) = ( 0.7428276 -0.2898809 -0.7262022), wk = 0.0026110 k( 115) = ( 0.7378720 -0.2812451 -0.7097370), wk = 0.0026110 k( 116) = ( 0.7329163 -0.2726094 -0.6932719), wk = 0.0026110 k( 117) = ( 0.7279606 -0.2639736 -0.6768067), wk = 0.0026110 k( 118) = ( 0.7230050 -0.2553378 -0.6603416), wk = 0.0026110 k( 119) = ( 0.7180493 -0.2467021 -0.6438764), wk = 0.0026110 k( 120) = ( 0.7130937 -0.2380663 -0.6274113), wk = 0.0026110 k( 121) = ( 0.7081380 -0.2294306 -0.6109461), wk = 0.0026110 k( 122) = ( 0.7031823 -0.2207948 -0.5944809), wk = 0.0026110 k( 123) = ( 0.6982266 -0.2121591 -0.5780158), wk = 0.0026110 k( 124) = ( 0.6932710 -0.2035233 -0.5615506), wk = 0.0026110 k( 125) = ( 0.6883153 -0.1948875 -0.5450854), wk = 0.0026110 k( 126) = ( 0.6833596 -0.1862518 -0.5286203), wk = 0.0026110 k( 127) = ( 0.6784040 -0.1776160 -0.5121551), wk = 0.0026110 k( 128) = ( 0.6734483 -0.1689803 -0.4956900), wk = 0.0026110 k( 129) = ( 0.6684927 -0.1603445 -0.4792248), wk = 0.0026110 k( 130) = ( 0.6635370 -0.1517088 -0.4627597), wk = 0.0026110 k( 131) = ( 0.6585813 -0.1430730 -0.4462945), wk = 0.0026110 k( 132) = ( 0.6536256 -0.1344372 -0.4298294), wk = 0.0026110 k( 133) = ( 0.6486700 -0.1258015 -0.4133642), wk = 0.0026110 k( 134) = ( 0.6437143 -0.1171657 -0.3968990), wk = 0.0026110 k( 135) = ( 0.6387586 -0.1085300 -0.3804339), wk = 0.0026110 k( 136) = ( 0.6338030 -0.0998942 -0.3639687), wk = 0.0026110 k( 137) = ( 0.6288473 -0.0912585 -0.3475036), wk = 0.0026110 k( 138) = ( 0.6238917 -0.0826227 -0.3310384), wk = 0.0026110 k( 139) = ( 0.6189360 -0.0739870 -0.3145733), wk = 0.0026110 k( 140) = ( 0.6139803 -0.0653512 -0.2981081), wk = 0.0026110 k( 141) = ( 0.6090247 -0.0567154 -0.2816430), wk = 0.0026110 k( 142) = ( 0.6040690 -0.0480797 -0.2651778), wk = 0.0026110 k( 143) = ( 0.5991133 -0.0394439 -0.2487126), wk = 0.0026110 k( 144) = ( 0.5941577 -0.0308082 -0.2322475), wk = 0.0026110 k( 145) = ( 0.5892020 -0.0221724 -0.2157823), wk = 0.0026110 k( 146) = ( 0.5842463 -0.0135367 -0.1993172), wk = 0.0026110 k( 147) = ( 0.5792907 -0.0049009 -0.1828520), wk = 0.0026110 k( 148) = ( 0.5743350 0.0037349 -0.1663868), wk = 0.0026110 k( 149) = ( 0.5693793 0.0123706 -0.1499217), wk = 0.0026110 k( 150) = ( 0.5644237 0.0210064 -0.1334565), wk = 0.0026110 k( 151) = ( 0.5594680 0.0296421 -0.1169914), wk = 0.0026110 k( 152) = ( 0.5545123 0.0382779 -0.1005262), wk = 0.0026110 k( 153) = ( 0.5495567 0.0469137 -0.0840611), wk = 0.0026110 k( 154) = ( 0.5446010 0.0555494 -0.0675959), wk = 0.0026110 k( 155) = ( 0.5396453 0.0641852 -0.0511308), wk = 0.0026110 k( 156) = ( 0.5346897 0.0728209 -0.0346656), wk = 0.0026110 k( 157) = ( 0.5297340 0.0814567 -0.0182005), wk = 0.0026110 k( 158) = ( 0.5247783 0.0900924 -0.0017353), wk = 0.0026110 k( 159) = ( 0.5198227 0.0987282 0.0147299), wk = 0.0026110 k( 160) = ( 0.5148670 0.1073639 0.0311950), wk = 0.0026110 k( 161) = ( 0.5099113 0.1159997 0.0476602), wk = 0.0026110 k( 162) = ( 0.5049557 0.1246355 0.0641253), wk = 0.0026110 k( 163) = ( 0.5000000 0.1332712 0.0805905), wk = 0.0026110 k( 164) = ( 0.5000000 0.1332712 0.0805905), wk = 0.0026110 k( 165) = ( 0.4821429 0.1285115 0.0777123), wk = 0.0026110 k( 166) = ( 0.4642857 0.1237518 0.0748340), wk = 0.0026110 k( 167) = ( 0.4464286 0.1189922 0.0719558), wk = 0.0026110 k( 168) = ( 0.4285714 0.1142325 0.0690776), wk = 0.0026110 k( 169) = ( 0.4107143 0.1094728 0.0661993), wk = 0.0026110 k( 170) = ( 0.3928571 0.1047131 0.0633211), wk = 0.0026110 k( 171) = ( 0.3750000 0.0999534 0.0604429), wk = 0.0026110 k( 172) = ( 0.3571429 0.0951937 0.0575646), wk = 0.0026110 k( 173) = ( 0.3392857 0.0904340 0.0546864), wk = 0.0026110 k( 174) = ( 0.3214286 0.0856744 0.0518082), wk = 0.0026110 k( 175) = ( 0.3035714 0.0809147 0.0489299), wk = 0.0026110 k( 176) = ( 0.2857143 0.0761550 0.0460517), wk = 0.0026110 k( 177) = ( 0.2678571 0.0713953 0.0431735), wk = 0.0026110 k( 178) = ( 0.2500000 0.0666356 0.0402952), wk = 0.0026110 k( 179) = ( 0.2321429 0.0618759 0.0374170), wk = 0.0026110 k( 180) = ( 0.2142857 0.0571162 0.0345388), wk = 0.0026110 k( 181) = ( 0.1964286 0.0523566 0.0316606), wk = 0.0026110 k( 182) = ( 0.1785714 0.0475969 0.0287823), wk = 0.0026110 k( 183) = ( 0.1607143 0.0428372 0.0259041), wk = 0.0026110 k( 184) = ( 0.1428571 0.0380775 0.0230259), wk = 0.0026110 k( 185) = ( 0.1250000 0.0333178 0.0201476), wk = 0.0026110 k( 186) = ( 0.1071429 0.0285581 0.0172694), wk = 0.0026110 k( 187) = ( 0.0892857 0.0237984 0.0143912), wk = 0.0026110 k( 188) = ( 0.0714286 0.0190387 0.0115129), wk = 0.0026110 k( 189) = ( 0.0535714 0.0142791 0.0086347), wk = 0.0026110 k( 190) = ( 0.0357143 0.0095194 0.0057565), wk = 0.0026110 k( 191) = ( 0.0178571 0.0047597 0.0028782), wk = 0.0026110 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026110 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026110 k( 194) = ( 0.0049481 -0.0086226 -0.0164400), wk = 0.0026110 k( 195) = ( 0.0098962 -0.0172451 -0.0328800), wk = 0.0026110 k( 196) = ( 0.0148443 -0.0258677 -0.0493200), wk = 0.0026110 k( 197) = ( 0.0197924 -0.0344903 -0.0657600), wk = 0.0026110 k( 198) = ( 0.0247405 -0.0431128 -0.0822000), wk = 0.0026110 k( 199) = ( 0.0296886 -0.0517354 -0.0986400), wk = 0.0026110 k( 200) = ( 0.0346367 -0.0603580 -0.1150801), wk = 0.0026110 k( 201) = ( 0.0395848 -0.0689805 -0.1315200), wk = 0.0026110 k( 202) = ( 0.0445329 -0.0776031 -0.1479601), wk = 0.0026110 k( 203) = ( 0.0494810 -0.0862257 -0.1644001), wk = 0.0026110 k( 204) = ( 0.0544291 -0.0948482 -0.1808401), wk = 0.0026110 k( 205) = ( 0.0593772 -0.1034708 -0.1972801), wk = 0.0026110 k( 206) = ( 0.0643253 -0.1120934 -0.2137201), wk = 0.0026110 k( 207) = ( 0.0692734 -0.1207159 -0.2301601), wk = 0.0026110 k( 208) = ( 0.0742214 -0.1293385 -0.2466001), wk = 0.0026110 k( 209) = ( 0.0791696 -0.1379611 -0.2630401), wk = 0.0026110 k( 210) = ( 0.0841177 -0.1465836 -0.2794801), wk = 0.0026110 k( 211) = ( 0.0890657 -0.1552062 -0.2959201), wk = 0.0026110 k( 212) = ( 0.0940138 -0.1638288 -0.3123601), wk = 0.0026110 k( 213) = ( 0.0989619 -0.1724513 -0.3288002), wk = 0.0026110 k( 214) = ( 0.1039100 -0.1810739 -0.3452401), wk = 0.0026110 k( 215) = ( 0.1088581 -0.1896965 -0.3616802), wk = 0.0026110 k( 216) = ( 0.1138062 -0.1983190 -0.3781202), wk = 0.0026110 k( 217) = ( 0.1187543 -0.2069416 -0.3945602), wk = 0.0026110 k( 218) = ( 0.1237024 -0.2155642 -0.4110002), wk = 0.0026110 k( 219) = ( 0.1286505 -0.2241867 -0.4274402), wk = 0.0026110 k( 220) = ( 0.1335986 -0.2328093 -0.4438802), wk = 0.0026110 k( 221) = ( 0.1385467 -0.2414319 -0.4603202), wk = 0.0026110 k( 222) = ( 0.1434948 -0.2500544 -0.4767602), wk = 0.0026110 k( 223) = ( 0.1484429 -0.2586770 -0.4932002), wk = 0.0026110 k( 224) = ( 0.1533910 -0.2672996 -0.5096402), wk = 0.0026110 k( 225) = ( 0.1583391 -0.2759221 -0.5260802), wk = 0.0026110 k( 226) = ( 0.1632872 -0.2845447 -0.5425203), wk = 0.0026110 k( 227) = ( 0.1682353 -0.2931673 -0.5589603), wk = 0.0026110 k( 228) = ( 0.1731834 -0.3017898 -0.5754003), wk = 0.0026110 k( 229) = ( 0.1781315 -0.3104124 -0.5918403), wk = 0.0026110 k( 230) = ( 0.1830796 -0.3190350 -0.6082803), wk = 0.0026110 k( 231) = ( 0.1880277 -0.3276575 -0.6247203), wk = 0.0026110 k( 232) = ( 0.1929758 -0.3362801 -0.6411603), wk = 0.0026110 k( 233) = ( 0.1979239 -0.3449027 -0.6576003), wk = 0.0026110 k( 234) = ( 0.2028720 -0.3535252 -0.6740403), wk = 0.0026110 k( 235) = ( 0.2078201 -0.3621478 -0.6904803), wk = 0.0026110 k( 236) = ( 0.2127682 -0.3707704 -0.7069203), wk = 0.0026110 k( 237) = ( 0.2177163 -0.3793929 -0.7233603), wk = 0.0026110 k( 238) = ( 0.2226644 -0.3880155 -0.7398004), wk = 0.0026110 k( 239) = ( 0.2276124 -0.3966381 -0.7562403), wk = 0.0026110 k( 240) = ( 0.2325606 -0.4052606 -0.7726804), wk = 0.0026110 k( 241) = ( 0.2375086 -0.4138832 -0.7891204), wk = 0.0026110 k( 242) = ( 0.2424567 -0.4225058 -0.8055604), wk = 0.0026110 k( 243) = ( 0.2474048 -0.4311283 -0.8220004), wk = 0.0026110 k( 244) = ( 0.2523529 -0.4397509 -0.8384404), wk = 0.0026110 k( 245) = ( 0.2573010 -0.4483735 -0.8548804), wk = 0.0026110 k( 246) = ( 0.2622491 -0.4569960 -0.8713204), wk = 0.0026110 k( 247) = ( 0.2671972 -0.4656186 -0.8877604), wk = 0.0026110 k( 248) = ( 0.2721453 -0.4742412 -0.9042004), wk = 0.0026110 k( 249) = ( 0.2770934 -0.4828637 -0.9206404), wk = 0.0026110 k( 250) = ( 0.2820415 -0.4914863 -0.9370804), wk = 0.0026110 k( 251) = ( 0.2869896 -0.5001089 -0.9535205), wk = 0.0026110 k( 252) = ( 0.2919377 -0.5087314 -0.9699604), wk = 0.0026110 k( 253) = ( 0.2968858 -0.5173540 -0.9864005), wk = 0.0026110 k( 254) = ( 0.3018339 -0.5259766 -1.0028405), wk = 0.0026110 k( 255) = ( 0.3067820 -0.5345991 -1.0192805), wk = 0.0026110 k( 256) = ( 0.3117301 -0.5432217 -1.0357205), wk = 0.0026110 k( 257) = ( 0.3166782 -0.5518443 -1.0521605), wk = 0.0026110 k( 258) = ( 0.3216263 -0.5604668 -1.0686005), wk = 0.0026110 k( 259) = ( 0.3265744 -0.5690894 -1.0850405), wk = 0.0026110 k( 260) = ( 0.3315225 -0.5777120 -1.1014805), wk = 0.0026110 k( 261) = ( 0.3364706 -0.5863345 -1.1179205), wk = 0.0026110 k( 262) = ( 0.3414187 -0.5949571 -1.1343605), wk = 0.0026110 k( 263) = ( 0.6585813 -0.4616859 -1.0537700), wk = 0.0026110 k( 264) = ( 0.6536256 -0.4430935 -1.0537700), wk = 0.0026110 k( 265) = ( 0.6486700 -0.4245011 -1.0537700), wk = 0.0026110 k( 266) = ( 0.6437143 -0.4059087 -1.0537700), wk = 0.0026110 k( 267) = ( 0.6387586 -0.3873162 -1.0537700), wk = 0.0026110 k( 268) = ( 0.6338030 -0.3687238 -1.0537700), wk = 0.0026110 k( 269) = ( 0.6288473 -0.3501314 -1.0537700), wk = 0.0026110 k( 270) = ( 0.6238917 -0.3315390 -1.0537700), wk = 0.0026110 k( 271) = ( 0.6189360 -0.3129466 -1.0537700), wk = 0.0026110 k( 272) = ( 0.6139803 -0.2943542 -1.0537700), wk = 0.0026110 k( 273) = ( 0.6090247 -0.2757618 -1.0537700), wk = 0.0026110 k( 274) = ( 0.6040690 -0.2571694 -1.0537700), wk = 0.0026110 k( 275) = ( 0.5991133 -0.2385770 -1.0537700), wk = 0.0026110 k( 276) = ( 0.5941577 -0.2199846 -1.0537700), wk = 0.0026110 k( 277) = ( 0.5892020 -0.2013921 -1.0537700), wk = 0.0026110 k( 278) = ( 0.5842463 -0.1827998 -1.0537700), wk = 0.0026110 k( 279) = ( 0.5792907 -0.1642073 -1.0537700), wk = 0.0026110 k( 280) = ( 0.5743350 -0.1456149 -1.0537700), wk = 0.0026110 k( 281) = ( 0.5693793 -0.1270225 -1.0537700), wk = 0.0026110 k( 282) = ( 0.5644237 -0.1084301 -1.0537700), wk = 0.0026110 k( 283) = ( 0.5594680 -0.0898377 -1.0537700), wk = 0.0026110 k( 284) = ( 0.5545123 -0.0712453 -1.0537700), wk = 0.0026110 k( 285) = ( 0.5495567 -0.0526529 -1.0537700), wk = 0.0026110 k( 286) = ( 0.5446010 -0.0340605 -1.0537700), wk = 0.0026110 k( 287) = ( 0.5396453 -0.0154681 -1.0537700), wk = 0.0026110 k( 288) = ( 0.5346897 0.0031244 -1.0537700), wk = 0.0026110 k( 289) = ( 0.5297340 0.0217168 -1.0537700), wk = 0.0026110 k( 290) = ( 0.5247783 0.0403092 -1.0537700), wk = 0.0026110 k( 291) = ( 0.5198227 0.0589016 -1.0537700), wk = 0.0026110 k( 292) = ( 0.5148670 0.0774940 -1.0537700), wk = 0.0026110 k( 293) = ( 0.5099113 0.0960864 -1.0537700), wk = 0.0026110 k( 294) = ( 0.5049557 0.1146788 -1.0537700), wk = 0.0026110 k( 295) = ( 0.5000000 0.1332712 -1.0537700), wk = 0.0026110 k( 296) = ( 0.5000000 0.1332712 -1.0537700), wk = 0.0026110 k( 297) = ( 0.5158581 0.1374981 -1.0457110), wk = 0.0026110 k( 298) = ( 0.5317163 0.1417250 -1.0376519), wk = 0.0026110 k( 299) = ( 0.5475744 0.1459518 -1.0295929), wk = 0.0026110 k( 300) = ( 0.5634325 0.1501787 -1.0215338), wk = 0.0026110 k( 301) = ( 0.5792907 0.1544055 -1.0134748), wk = 0.0026110 k( 302) = ( 0.5951488 0.1586324 -1.0054157), wk = 0.0026110 k( 303) = ( 0.6110069 0.1628593 -0.9973567), wk = 0.0026110 k( 304) = ( 0.6268651 0.1670861 -0.9892976), wk = 0.0026110 k( 305) = ( 0.6427232 0.1713130 -0.9812386), wk = 0.0026110 k( 306) = ( 0.6585813 0.1755399 -0.9731795), wk = 0.0026110 k( 307) = ( 0.6585813 0.1755399 -0.9731795), wk = 0.0026110 k( 308) = ( 0.6557495 0.1747851 -0.9543622), wk = 0.0026110 k( 309) = ( 0.6529177 0.1740303 -0.9355449), wk = 0.0026110 k( 310) = ( 0.6500859 0.1732755 -0.9167276), wk = 0.0026110 k( 311) = ( 0.6472541 0.1725207 -0.8979102), wk = 0.0026110 k( 312) = ( 0.6444223 0.1717659 -0.8790929), wk = 0.0026110 k( 313) = ( 0.6415905 0.1710111 -0.8602756), wk = 0.0026110 k( 314) = ( 0.6387586 0.1702563 -0.8414583), wk = 0.0026110 k( 315) = ( 0.6359268 0.1695015 -0.8226410), wk = 0.0026110 k( 316) = ( 0.6330950 0.1687467 -0.8038236), wk = 0.0026110 k( 317) = ( 0.6302632 0.1679919 -0.7850063), wk = 0.0026110 k( 318) = ( 0.6274314 0.1672371 -0.7661890), wk = 0.0026110 k( 319) = ( 0.6245996 0.1664823 -0.7473717), wk = 0.0026110 k( 320) = ( 0.6217678 0.1657275 -0.7285544), wk = 0.0026110 k( 321) = ( 0.6189360 0.1649727 -0.7097370), wk = 0.0026110 k( 322) = ( 0.6161042 0.1642179 -0.6909197), wk = 0.0026110 k( 323) = ( 0.6132724 0.1634631 -0.6721024), wk = 0.0026110 k( 324) = ( 0.6104406 0.1627083 -0.6532851), wk = 0.0026110 k( 325) = ( 0.6076088 0.1619535 -0.6344677), wk = 0.0026110 k( 326) = ( 0.6047769 0.1611987 -0.6156504), wk = 0.0026110 k( 327) = ( 0.6019451 0.1604439 -0.5968331), wk = 0.0026110 k( 328) = ( 0.5991133 0.1596891 -0.5780158), wk = 0.0026110 k( 329) = ( 0.5962815 0.1589343 -0.5591984), wk = 0.0026110 k( 330) = ( 0.5934497 0.1581795 -0.5403811), wk = 0.0026110 k( 331) = ( 0.5906179 0.1574247 -0.5215638), wk = 0.0026110 k( 332) = ( 0.5877861 0.1566699 -0.5027465), wk = 0.0026110 k( 333) = ( 0.5849543 0.1559151 -0.4839292), wk = 0.0026110 k( 334) = ( 0.5821225 0.1551603 -0.4651119), wk = 0.0026110 k( 335) = ( 0.5792907 0.1544055 -0.4462945), wk = 0.0026110 k( 336) = ( 0.5764588 0.1536507 -0.4274772), wk = 0.0026110 k( 337) = ( 0.5736270 0.1528960 -0.4086599), wk = 0.0026110 k( 338) = ( 0.5707952 0.1521412 -0.3898425), wk = 0.0026110 k( 339) = ( 0.5679634 0.1513864 -0.3710252), wk = 0.0026110 k( 340) = ( 0.5651316 0.1506316 -0.3522079), wk = 0.0026110 k( 341) = ( 0.5622998 0.1498768 -0.3333906), wk = 0.0026110 k( 342) = ( 0.5594680 0.1491220 -0.3145733), wk = 0.0026110 k( 343) = ( 0.5566362 0.1483672 -0.2957559), wk = 0.0026110 k( 344) = ( 0.5538044 0.1476124 -0.2769386), wk = 0.0026110 k( 345) = ( 0.5509726 0.1468576 -0.2581213), wk = 0.0026110 k( 346) = ( 0.5481408 0.1461028 -0.2393040), wk = 0.0026110 k( 347) = ( 0.5453090 0.1453480 -0.2204867), wk = 0.0026110 k( 348) = ( 0.5424771 0.1445932 -0.2016693), wk = 0.0026110 k( 349) = ( 0.5396453 0.1438384 -0.1828520), wk = 0.0026110 k( 350) = ( 0.5368135 0.1430836 -0.1640347), wk = 0.0026110 k( 351) = ( 0.5339817 0.1423288 -0.1452174), wk = 0.0026110 k( 352) = ( 0.5311499 0.1415740 -0.1264000), wk = 0.0026110 k( 353) = ( 0.5283181 0.1408192 -0.1075827), wk = 0.0026110 k( 354) = ( 0.5254863 0.1400644 -0.0887654), wk = 0.0026110 k( 355) = ( 0.5226545 0.1393096 -0.0699481), wk = 0.0026110 k( 356) = ( 0.5198227 0.1385548 -0.0511307), wk = 0.0026110 k( 357) = ( 0.5169909 0.1378000 -0.0323134), wk = 0.0026110 k( 358) = ( 0.5141590 0.1370452 -0.0134961), wk = 0.0026110 k( 359) = ( 0.5113272 0.1362904 0.0053212), wk = 0.0026110 k( 360) = ( 0.5084954 0.1355356 0.0241385), wk = 0.0026110 k( 361) = ( 0.5056636 0.1347808 0.0429558), wk = 0.0026110 k( 362) = ( 0.5028318 0.1340260 0.0617732), wk = 0.0026110 k( 363) = ( 0.5000000 0.1332712 0.0805905), wk = 0.0026110 k( 364) = ( 0.5000000 -0.8713013 -0.5268850), wk = 0.0026110 k( 365) = ( 0.5166928 -0.8642871 -0.5226434), wk = 0.0026110 k( 366) = ( 0.5333855 -0.8572728 -0.5184018), wk = 0.0026110 k( 367) = ( 0.5500783 -0.8502585 -0.5141602), wk = 0.0026110 k( 368) = ( 0.5667711 -0.8432442 -0.5099186), wk = 0.0026110 k( 369) = ( 0.5834639 -0.8362299 -0.5056770), wk = 0.0026110 k( 370) = ( 0.6001566 -0.8292157 -0.5014354), wk = 0.0026110 k( 371) = ( 0.6168494 -0.8222014 -0.4971938), wk = 0.0026110 k( 372) = ( 0.6335422 -0.8151871 -0.4929522), wk = 0.0026110 k( 373) = ( 0.6502349 -0.8081728 -0.4887106), wk = 0.0026110 k( 374) = ( 0.6669277 -0.8011586 -0.4844690), wk = 0.0026110 k( 375) = ( 0.6836205 -0.7941443 -0.4802274), wk = 0.0026110 k( 376) = ( 0.7003132 -0.7871300 -0.4759858), wk = 0.0026110 k( 377) = ( 0.7170060 -0.7801157 -0.4717441), wk = 0.0026110 k( 378) = ( 0.7336988 -0.7731015 -0.4675025), wk = 0.0026110 k( 379) = ( 0.7503916 -0.7660872 -0.4632609), wk = 0.0026110 k( 380) = ( 0.7670843 -0.7590729 -0.4590193), wk = 0.0026110 k( 381) = ( 0.7837771 -0.7520587 -0.4547777), wk = 0.0026110 k( 382) = ( 0.8004699 -0.7450444 -0.4505361), wk = 0.0026110 k( 383) = ( 0.8171626 -0.7380301 -0.4462945), wk = 0.0026110 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026110 k( 2) = ( 0.0084746 0.0000000 -0.0000000), wk = 0.0026110 k( 3) = ( 0.0169491 -0.0000000 -0.0000000), wk = 0.0026110 k( 4) = ( 0.0254237 -0.0000000 -0.0000000), wk = 0.0026110 k( 5) = ( 0.0338983 -0.0000000 0.0000000), wk = 0.0026110 k( 6) = ( 0.0423729 0.0000000 0.0000000), wk = 0.0026110 k( 7) = ( 0.0508475 -0.0000000 -0.0000000), wk = 0.0026110 k( 8) = ( 0.0593220 -0.0000000 -0.0000000), wk = 0.0026110 k( 9) = ( 0.0677966 0.0000000 0.0000000), wk = 0.0026110 k( 10) = ( 0.0762712 0.0000000 -0.0000000), wk = 0.0026110 k( 11) = ( 0.0847458 0.0000000 0.0000000), wk = 0.0026110 k( 12) = ( 0.0932203 -0.0000000 -0.0000000), wk = 0.0026110 k( 13) = ( 0.1016949 -0.0000000 -0.0000000), wk = 0.0026110 k( 14) = ( 0.1101695 -0.0000000 0.0000000), wk = 0.0026110 k( 15) = ( 0.1186441 -0.0000000 -0.0000000), wk = 0.0026110 k( 16) = ( 0.1271186 0.0000000 -0.0000000), wk = 0.0026110 k( 17) = ( 0.1355932 0.0000000 0.0000000), wk = 0.0026110 k( 18) = ( 0.1440678 -0.0000000 -0.0000000), wk = 0.0026110 k( 19) = ( 0.1525424 -0.0000000 -0.0000000), wk = 0.0026110 k( 20) = ( 0.1610169 -0.0000000 -0.0000000), wk = 0.0026110 k( 21) = ( 0.1694915 -0.0000000 0.0000000), wk = 0.0026110 k( 22) = ( 0.1779661 0.0000000 0.0000000), wk = 0.0026110 k( 23) = ( 0.1864407 -0.0000000 -0.0000000), wk = 0.0026110 k( 24) = ( 0.1949153 0.0000000 -0.0000000), wk = 0.0026110 k( 25) = ( 0.2033898 0.0000000 -0.0000000), wk = 0.0026110 k( 26) = ( 0.2118644 0.0000000 -0.0000000), wk = 0.0026110 k( 27) = ( 0.2203390 -0.0000000 0.0000000), wk = 0.0026110 k( 28) = ( 0.2288136 -0.0000000 0.0000000), wk = 0.0026110 k( 29) = ( 0.2372881 -0.0000000 -0.0000000), wk = 0.0026110 k( 30) = ( 0.2457627 -0.0000000 -0.0000000), wk = 0.0026110 k( 31) = ( 0.2542373 -0.0000000 -0.0000000), wk = 0.0026110 k( 32) = ( 0.2627119 0.0000000 -0.0000000), wk = 0.0026110 k( 33) = ( 0.2711864 0.0000000 0.0000000), wk = 0.0026110 k( 34) = ( 0.2796610 0.0000000 -0.0000000), wk = 0.0026110 k( 35) = ( 0.2881356 -0.0000000 -0.0000000), wk = 0.0026110 k( 36) = ( 0.2966102 0.0000000 0.0000000), wk = 0.0026110 k( 37) = ( 0.3050848 -0.0000000 -0.0000000), wk = 0.0026110 k( 38) = ( 0.3135593 0.0000000 -0.0000000), wk = 0.0026110 k( 39) = ( 0.3220339 -0.0000000 -0.0000000), wk = 0.0026110 k( 40) = ( 0.3305085 -0.0000000 -0.0000000), wk = 0.0026110 k( 41) = ( 0.3389831 0.0000000 0.0000000), wk = 0.0026110 k( 42) = ( 0.3474576 0.0000000 0.0000000), wk = 0.0026110 k( 43) = ( 0.3559322 0.0000000 0.0000000), wk = 0.0026110 k( 44) = ( 0.3644068 -0.0000000 -0.0000000), wk = 0.0026110 k( 45) = ( 0.3728814 -0.0000000 -0.0000000), wk = 0.0026110 k( 46) = ( 0.3813559 -0.0000000 -0.0000000), wk = 0.0026110 k( 47) = ( 0.3898305 0.0000000 0.0000000), wk = 0.0026110 k( 48) = ( 0.3983051 -0.0000000 -0.0000000), wk = 0.0026110 k( 49) = ( 0.4067797 0.0000000 -0.0000000), wk = 0.0026110 k( 50) = ( 0.4152542 -0.0000000 -0.0000000), wk = 0.0026110 k( 51) = ( 0.4237288 -0.0000000 -0.0000000), wk = 0.0026110 k( 52) = ( 0.4322034 0.0000000 0.0000000), wk = 0.0026110 k( 53) = ( 0.4406780 0.0000000 -0.0000000), wk = 0.0026110 k( 54) = ( 0.4491525 0.0000000 -0.0000000), wk = 0.0026110 k( 55) = ( 0.4576271 -0.0000000 0.0000000), wk = 0.0026110 k( 56) = ( 0.4661017 -0.0000000 -0.0000000), wk = 0.0026110 k( 57) = ( 0.4745763 0.0000000 0.0000000), wk = 0.0026110 k( 58) = ( 0.4830508 -0.0000000 -0.0000000), wk = 0.0026110 k( 59) = ( 0.4915254 -0.0000000 -0.0000000), wk = 0.0026110 k( 60) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026110 k( 61) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026110 k( 62) = ( 0.5000000 0.0049416 -0.0049416), wk = 0.0026110 k( 63) = ( 0.5000000 0.0098831 -0.0098831), wk = 0.0026110 k( 64) = ( 0.5000000 0.0148246 -0.0148246), wk = 0.0026110 k( 65) = ( 0.5000000 0.0197662 -0.0197662), wk = 0.0026110 k( 66) = ( 0.5000000 0.0247077 -0.0247078), wk = 0.0026110 k( 67) = ( 0.5000000 0.0296493 -0.0296493), wk = 0.0026110 k( 68) = ( 0.5000000 0.0345908 -0.0345909), wk = 0.0026110 k( 69) = ( 0.5000000 0.0395324 -0.0395324), wk = 0.0026110 k( 70) = ( 0.5000000 0.0444739 -0.0444739), wk = 0.0026110 k( 71) = ( 0.5000000 0.0494155 -0.0494155), wk = 0.0026110 k( 72) = ( 0.5000000 0.0543571 -0.0543571), wk = 0.0026110 k( 73) = ( 0.5000000 0.0592986 -0.0592986), wk = 0.0026110 k( 74) = ( 0.5000000 0.0642402 -0.0642402), wk = 0.0026110 k( 75) = ( 0.5000000 0.0691817 -0.0691817), wk = 0.0026110 k( 76) = ( 0.5000000 0.0741233 -0.0741233), wk = 0.0026110 k( 77) = ( 0.5000000 0.0790648 -0.0790648), wk = 0.0026110 k( 78) = ( 0.5000000 0.0840064 -0.0840064), wk = 0.0026110 k( 79) = ( 0.5000000 0.0889479 -0.0889479), wk = 0.0026110 k( 80) = ( 0.5000000 0.0938895 -0.0938895), wk = 0.0026110 k( 81) = ( 0.5000000 0.0988310 -0.0988310), wk = 0.0026110 k( 82) = ( 0.5000000 0.1037726 -0.1037726), wk = 0.0026110 k( 83) = ( 0.5000000 0.1087141 -0.1087141), wk = 0.0026110 k( 84) = ( 0.5000000 0.1136557 -0.1136557), wk = 0.0026110 k( 85) = ( 0.5000000 0.1185972 -0.1185972), wk = 0.0026110 k( 86) = ( 0.5000000 0.1235388 -0.1235388), wk = 0.0026110 k( 87) = ( 0.5000000 0.1284803 -0.1284803), wk = 0.0026110 k( 88) = ( 0.5000000 0.1334219 -0.1334219), wk = 0.0026110 k( 89) = ( 0.5000000 0.1383634 -0.1383634), wk = 0.0026110 k( 90) = ( 0.5000000 0.1433050 -0.1433050), wk = 0.0026110 k( 91) = ( 0.5000000 0.1482465 -0.1482465), wk = 0.0026110 k( 92) = ( 0.5000000 0.1531881 -0.1531881), wk = 0.0026110 k( 93) = ( 0.5000000 0.1581296 -0.1581296), wk = 0.0026110 k( 94) = ( 0.5000000 0.1630712 -0.1630712), wk = 0.0026110 k( 95) = ( 0.5000000 0.1680127 -0.1680127), wk = 0.0026110 k( 96) = ( 0.5000000 0.1729543 -0.1729543), wk = 0.0026110 k( 97) = ( 0.5000000 0.1778958 -0.1778958), wk = 0.0026110 k( 98) = ( 0.5000000 0.1828374 -0.1828374), wk = 0.0026110 k( 99) = ( 0.8171626 0.5000000 0.1828374), wk = 0.0026110 k( 100) = ( 0.8122070 0.5000000 0.1877930), wk = 0.0026110 k( 101) = ( 0.8072513 0.5000000 0.1927487), wk = 0.0026110 k( 102) = ( 0.8022956 0.5000000 0.1977044), wk = 0.0026110 k( 103) = ( 0.7973400 0.5000000 0.2026600), wk = 0.0026110 k( 104) = ( 0.7923843 0.5000000 0.2076157), wk = 0.0026110 k( 105) = ( 0.7874286 0.5000000 0.2125714), wk = 0.0026110 k( 106) = ( 0.7824730 0.5000000 0.2175270), wk = 0.0026110 k( 107) = ( 0.7775173 0.5000000 0.2224827), wk = 0.0026110 k( 108) = ( 0.7725616 0.5000000 0.2274384), wk = 0.0026110 k( 109) = ( 0.7676060 0.5000000 0.2323940), wk = 0.0026110 k( 110) = ( 0.7626503 0.5000000 0.2373497), wk = 0.0026110 k( 111) = ( 0.7576946 0.5000000 0.2423054), wk = 0.0026110 k( 112) = ( 0.7527390 0.5000000 0.2472610), wk = 0.0026110 k( 113) = ( 0.7477833 0.5000000 0.2522167), wk = 0.0026110 k( 114) = ( 0.7428276 0.5000000 0.2571724), wk = 0.0026110 k( 115) = ( 0.7378720 0.5000000 0.2621280), wk = 0.0026110 k( 116) = ( 0.7329163 0.5000000 0.2670837), wk = 0.0026110 k( 117) = ( 0.7279606 0.5000000 0.2720394), wk = 0.0026110 k( 118) = ( 0.7230050 0.5000000 0.2769950), wk = 0.0026110 k( 119) = ( 0.7180493 0.5000000 0.2819507), wk = 0.0026110 k( 120) = ( 0.7130937 0.5000000 0.2869063), wk = 0.0026110 k( 121) = ( 0.7081380 0.5000000 0.2918620), wk = 0.0026110 k( 122) = ( 0.7031823 0.5000000 0.2968177), wk = 0.0026110 k( 123) = ( 0.6982266 0.5000000 0.3017733), wk = 0.0026110 k( 124) = ( 0.6932710 0.5000000 0.3067290), wk = 0.0026110 k( 125) = ( 0.6883153 0.5000000 0.3116847), wk = 0.0026110 k( 126) = ( 0.6833596 0.5000000 0.3166404), wk = 0.0026110 k( 127) = ( 0.6784040 0.5000000 0.3215960), wk = 0.0026110 k( 128) = ( 0.6734483 0.5000000 0.3265517), wk = 0.0026110 k( 129) = ( 0.6684927 0.5000000 0.3315073), wk = 0.0026110 k( 130) = ( 0.6635370 0.5000000 0.3364630), wk = 0.0026110 k( 131) = ( 0.6585813 0.5000000 0.3414187), wk = 0.0026110 k( 132) = ( 0.6536256 0.5000000 0.3463743), wk = 0.0026110 k( 133) = ( 0.6486700 0.5000000 0.3513300), wk = 0.0026110 k( 134) = ( 0.6437143 0.5000000 0.3562857), wk = 0.0026110 k( 135) = ( 0.6387586 0.5000000 0.3612413), wk = 0.0026110 k( 136) = ( 0.6338030 0.5000000 0.3661970), wk = 0.0026110 k( 137) = ( 0.6288473 0.5000000 0.3711527), wk = 0.0026110 k( 138) = ( 0.6238917 0.5000000 0.3761083), wk = 0.0026110 k( 139) = ( 0.6189360 0.5000000 0.3810640), wk = 0.0026110 k( 140) = ( 0.6139803 0.5000000 0.3860197), wk = 0.0026110 k( 141) = ( 0.6090247 0.5000000 0.3909753), wk = 0.0026110 k( 142) = ( 0.6040690 0.5000000 0.3959310), wk = 0.0026110 k( 143) = ( 0.5991133 0.5000000 0.4008867), wk = 0.0026110 k( 144) = ( 0.5941577 0.5000000 0.4058423), wk = 0.0026110 k( 145) = ( 0.5892020 0.5000000 0.4107980), wk = 0.0026110 k( 146) = ( 0.5842463 0.5000000 0.4157537), wk = 0.0026110 k( 147) = ( 0.5792907 0.5000000 0.4207093), wk = 0.0026110 k( 148) = ( 0.5743350 0.5000000 0.4256650), wk = 0.0026110 k( 149) = ( 0.5693793 0.5000000 0.4306207), wk = 0.0026110 k( 150) = ( 0.5644237 0.5000000 0.4355763), wk = 0.0026110 k( 151) = ( 0.5594680 0.5000000 0.4405320), wk = 0.0026110 k( 152) = ( 0.5545123 0.5000000 0.4454877), wk = 0.0026110 k( 153) = ( 0.5495567 0.5000000 0.4504433), wk = 0.0026110 k( 154) = ( 0.5446010 0.5000000 0.4553990), wk = 0.0026110 k( 155) = ( 0.5396453 0.5000000 0.4603547), wk = 0.0026110 k( 156) = ( 0.5346897 0.5000000 0.4653103), wk = 0.0026110 k( 157) = ( 0.5297340 0.5000000 0.4702660), wk = 0.0026110 k( 158) = ( 0.5247783 0.5000000 0.4752217), wk = 0.0026110 k( 159) = ( 0.5198227 0.5000000 0.4801773), wk = 0.0026110 k( 160) = ( 0.5148670 0.5000000 0.4851330), wk = 0.0026110 k( 161) = ( 0.5099113 0.5000000 0.4900887), wk = 0.0026110 k( 162) = ( 0.5049557 0.5000000 0.4950443), wk = 0.0026110 k( 163) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026110 k( 164) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026110 k( 165) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0026110 k( 166) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0026110 k( 167) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0026110 k( 168) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0026110 k( 169) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0026110 k( 170) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0026110 k( 171) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0026110 k( 172) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0026110 k( 173) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0026110 k( 174) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0026110 k( 175) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0026110 k( 176) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0026110 k( 177) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0026110 k( 178) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026110 k( 179) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0026110 k( 180) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0026110 k( 181) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0026110 k( 182) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0026110 k( 183) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0026110 k( 184) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0026110 k( 185) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0026110 k( 186) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0026110 k( 187) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0026110 k( 188) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0026110 k( 189) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0026110 k( 190) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0026110 k( 191) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0026110 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026110 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026110 k( 194) = ( 0.0049481 0.0000000 -0.0049481), wk = 0.0026110 k( 195) = ( 0.0098962 -0.0000000 -0.0098962), wk = 0.0026110 k( 196) = ( 0.0148443 -0.0000000 -0.0148443), wk = 0.0026110 k( 197) = ( 0.0197924 -0.0000000 -0.0197924), wk = 0.0026110 k( 198) = ( 0.0247405 -0.0000000 -0.0247405), wk = 0.0026110 k( 199) = ( 0.0296886 -0.0000000 -0.0296886), wk = 0.0026110 k( 200) = ( 0.0346367 -0.0000000 -0.0346367), wk = 0.0026110 k( 201) = ( 0.0395848 0.0000000 -0.0395848), wk = 0.0026110 k( 202) = ( 0.0445329 0.0000000 -0.0445329), wk = 0.0026110 k( 203) = ( 0.0494810 0.0000000 -0.0494810), wk = 0.0026110 k( 204) = ( 0.0544291 -0.0000000 -0.0544291), wk = 0.0026110 k( 205) = ( 0.0593772 -0.0000000 -0.0593772), wk = 0.0026110 k( 206) = ( 0.0643253 -0.0000000 -0.0643253), wk = 0.0026110 k( 207) = ( 0.0692734 -0.0000000 -0.0692734), wk = 0.0026110 k( 208) = ( 0.0742214 -0.0000000 -0.0742214), wk = 0.0026110 k( 209) = ( 0.0791696 -0.0000000 -0.0791695), wk = 0.0026110 k( 210) = ( 0.0841177 0.0000000 -0.0841176), wk = 0.0026110 k( 211) = ( 0.0890657 0.0000000 -0.0890657), wk = 0.0026110 k( 212) = ( 0.0940138 -0.0000000 -0.0940138), wk = 0.0026110 k( 213) = ( 0.0989619 0.0000000 -0.0989619), wk = 0.0026110 k( 214) = ( 0.1039100 -0.0000000 -0.1039100), wk = 0.0026110 k( 215) = ( 0.1088581 0.0000000 -0.1088581), wk = 0.0026110 k( 216) = ( 0.1138062 -0.0000000 -0.1138062), wk = 0.0026110 k( 217) = ( 0.1187543 -0.0000000 -0.1187543), wk = 0.0026110 k( 218) = ( 0.1237024 0.0000000 -0.1237024), wk = 0.0026110 k( 219) = ( 0.1286505 -0.0000000 -0.1286505), wk = 0.0026110 k( 220) = ( 0.1335986 -0.0000000 -0.1335986), wk = 0.0026110 k( 221) = ( 0.1385467 -0.0000000 -0.1385467), wk = 0.0026110 k( 222) = ( 0.1434948 -0.0000000 -0.1434948), wk = 0.0026110 k( 223) = ( 0.1484429 -0.0000000 -0.1484429), wk = 0.0026110 k( 224) = ( 0.1533910 -0.0000000 -0.1533910), wk = 0.0026110 k( 225) = ( 0.1583391 -0.0000000 -0.1583391), wk = 0.0026110 k( 226) = ( 0.1632872 0.0000000 -0.1632872), wk = 0.0026110 k( 227) = ( 0.1682353 -0.0000000 -0.1682353), wk = 0.0026110 k( 228) = ( 0.1731834 -0.0000000 -0.1731834), wk = 0.0026110 k( 229) = ( 0.1781315 0.0000000 -0.1781315), wk = 0.0026110 k( 230) = ( 0.1830796 -0.0000000 -0.1830796), wk = 0.0026110 k( 231) = ( 0.1880277 -0.0000000 -0.1880277), wk = 0.0026110 k( 232) = ( 0.1929758 0.0000000 -0.1929758), wk = 0.0026110 k( 233) = ( 0.1979239 -0.0000000 -0.1979239), wk = 0.0026110 k( 234) = ( 0.2028720 -0.0000000 -0.2028720), wk = 0.0026110 k( 235) = ( 0.2078201 0.0000000 -0.2078201), wk = 0.0026110 k( 236) = ( 0.2127682 -0.0000000 -0.2127682), wk = 0.0026110 k( 237) = ( 0.2177163 0.0000000 -0.2177163), wk = 0.0026110 k( 238) = ( 0.2226644 0.0000000 -0.2226644), wk = 0.0026110 k( 239) = ( 0.2276124 0.0000000 -0.2276124), wk = 0.0026110 k( 240) = ( 0.2325606 0.0000000 -0.2325606), wk = 0.0026110 k( 241) = ( 0.2375086 -0.0000000 -0.2375086), wk = 0.0026110 k( 242) = ( 0.2424567 0.0000000 -0.2424567), wk = 0.0026110 k( 243) = ( 0.2474048 0.0000000 -0.2474048), wk = 0.0026110 k( 244) = ( 0.2523529 0.0000000 -0.2523529), wk = 0.0026110 k( 245) = ( 0.2573010 -0.0000000 -0.2573010), wk = 0.0026110 k( 246) = ( 0.2622491 0.0000000 -0.2622491), wk = 0.0026110 k( 247) = ( 0.2671972 -0.0000000 -0.2671972), wk = 0.0026110 k( 248) = ( 0.2721453 -0.0000000 -0.2721453), wk = 0.0026110 k( 249) = ( 0.2770934 -0.0000000 -0.2770934), wk = 0.0026110 k( 250) = ( 0.2820415 0.0000000 -0.2820415), wk = 0.0026110 k( 251) = ( 0.2869896 -0.0000000 -0.2869896), wk = 0.0026110 k( 252) = ( 0.2919377 -0.0000000 -0.2919377), wk = 0.0026110 k( 253) = ( 0.2968858 -0.0000000 -0.2968858), wk = 0.0026110 k( 254) = ( 0.3018339 0.0000000 -0.3018339), wk = 0.0026110 k( 255) = ( 0.3067820 -0.0000000 -0.3067820), wk = 0.0026110 k( 256) = ( 0.3117301 0.0000000 -0.3117301), wk = 0.0026110 k( 257) = ( 0.3166782 -0.0000000 -0.3166782), wk = 0.0026110 k( 258) = ( 0.3216263 0.0000000 -0.3216263), wk = 0.0026110 k( 259) = ( 0.3265744 -0.0000000 -0.3265744), wk = 0.0026110 k( 260) = ( 0.3315225 0.0000000 -0.3315225), wk = 0.0026110 k( 261) = ( 0.3364706 -0.0000000 -0.3364706), wk = 0.0026110 k( 262) = ( 0.3414187 -0.0000000 -0.3414187), wk = 0.0026110 k( 263) = ( 0.6585813 0.3414187 0.0000000), wk = 0.0026110 k( 264) = ( 0.6536256 0.3463743 0.0000000), wk = 0.0026110 k( 265) = ( 0.6486700 0.3513300 -0.0000000), wk = 0.0026110 k( 266) = ( 0.6437143 0.3562857 -0.0000000), wk = 0.0026110 k( 267) = ( 0.6387586 0.3612413 0.0000000), wk = 0.0026110 k( 268) = ( 0.6338030 0.3661970 -0.0000000), wk = 0.0026110 k( 269) = ( 0.6288473 0.3711527 -0.0000000), wk = 0.0026110 k( 270) = ( 0.6238917 0.3761083 0.0000000), wk = 0.0026110 k( 271) = ( 0.6189360 0.3810640 0.0000000), wk = 0.0026110 k( 272) = ( 0.6139803 0.3860197 0.0000000), wk = 0.0026110 k( 273) = ( 0.6090247 0.3909753 0.0000000), wk = 0.0026110 k( 274) = ( 0.6040690 0.3959310 0.0000000), wk = 0.0026110 k( 275) = ( 0.5991133 0.4008867 -0.0000000), wk = 0.0026110 k( 276) = ( 0.5941577 0.4058423 0.0000000), wk = 0.0026110 k( 277) = ( 0.5892020 0.4107980 -0.0000000), wk = 0.0026110 k( 278) = ( 0.5842463 0.4157537 0.0000000), wk = 0.0026110 k( 279) = ( 0.5792907 0.4207093 -0.0000000), wk = 0.0026110 k( 280) = ( 0.5743350 0.4256650 -0.0000000), wk = 0.0026110 k( 281) = ( 0.5693793 0.4306207 0.0000000), wk = 0.0026110 k( 282) = ( 0.5644237 0.4355763 -0.0000000), wk = 0.0026110 k( 283) = ( 0.5594680 0.4405320 -0.0000000), wk = 0.0026110 k( 284) = ( 0.5545123 0.4454877 -0.0000000), wk = 0.0026110 k( 285) = ( 0.5495567 0.4504433 -0.0000000), wk = 0.0026110 k( 286) = ( 0.5446010 0.4553990 -0.0000000), wk = 0.0026110 k( 287) = ( 0.5396453 0.4603547 0.0000000), wk = 0.0026110 k( 288) = ( 0.5346897 0.4653103 0.0000000), wk = 0.0026110 k( 289) = ( 0.5297340 0.4702660 -0.0000000), wk = 0.0026110 k( 290) = ( 0.5247783 0.4752217 0.0000000), wk = 0.0026110 k( 291) = ( 0.5198227 0.4801773 0.0000000), wk = 0.0026110 k( 292) = ( 0.5148670 0.4851330 -0.0000000), wk = 0.0026110 k( 293) = ( 0.5099113 0.4900887 -0.0000000), wk = 0.0026110 k( 294) = ( 0.5049557 0.4950443 0.0000000), wk = 0.0026110 k( 295) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026110 k( 296) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026110 k( 297) = ( 0.5158581 0.5158581 0.0182837), wk = 0.0026110 k( 298) = ( 0.5317163 0.5317163 0.0365675), wk = 0.0026110 k( 299) = ( 0.5475744 0.5475744 0.0548512), wk = 0.0026110 k( 300) = ( 0.5634325 0.5634325 0.0731349), wk = 0.0026110 k( 301) = ( 0.5792907 0.5792907 0.0914187), wk = 0.0026110 k( 302) = ( 0.5951488 0.5951488 0.1097024), wk = 0.0026110 k( 303) = ( 0.6110069 0.6110069 0.1279862), wk = 0.0026110 k( 304) = ( 0.6268651 0.6268650 0.1462699), wk = 0.0026110 k( 305) = ( 0.6427232 0.6427232 0.1645536), wk = 0.0026110 k( 306) = ( 0.6585813 0.6585813 0.1828374), wk = 0.0026110 k( 307) = ( 0.6585813 0.6585813 0.1828374), wk = 0.0026110 k( 308) = ( 0.6557495 0.6557495 0.1885010), wk = 0.0026110 k( 309) = ( 0.6529177 0.6529177 0.1941646), wk = 0.0026110 k( 310) = ( 0.6500859 0.6500859 0.1998282), wk = 0.0026110 k( 311) = ( 0.6472541 0.6472541 0.2054918), wk = 0.0026110 k( 312) = ( 0.6444223 0.6444223 0.2111555), wk = 0.0026110 k( 313) = ( 0.6415905 0.6415905 0.2168191), wk = 0.0026110 k( 314) = ( 0.6387586 0.6387586 0.2224827), wk = 0.0026110 k( 315) = ( 0.6359268 0.6359268 0.2281463), wk = 0.0026110 k( 316) = ( 0.6330950 0.6330950 0.2338099), wk = 0.0026110 k( 317) = ( 0.6302632 0.6302632 0.2394736), wk = 0.0026110 k( 318) = ( 0.6274314 0.6274314 0.2451372), wk = 0.0026110 k( 319) = ( 0.6245996 0.6245996 0.2508008), wk = 0.0026110 k( 320) = ( 0.6217678 0.6217678 0.2564644), wk = 0.0026110 k( 321) = ( 0.6189360 0.6189360 0.2621280), wk = 0.0026110 k( 322) = ( 0.6161042 0.6161042 0.2677916), wk = 0.0026110 k( 323) = ( 0.6132724 0.6132724 0.2734553), wk = 0.0026110 k( 324) = ( 0.6104406 0.6104406 0.2791189), wk = 0.0026110 k( 325) = ( 0.6076088 0.6076087 0.2847825), wk = 0.0026110 k( 326) = ( 0.6047769 0.6047769 0.2904461), wk = 0.0026110 k( 327) = ( 0.6019451 0.6019451 0.2961097), wk = 0.0026110 k( 328) = ( 0.5991133 0.5991133 0.3017734), wk = 0.0026110 k( 329) = ( 0.5962815 0.5962815 0.3074370), wk = 0.0026110 k( 330) = ( 0.5934497 0.5934497 0.3131006), wk = 0.0026110 k( 331) = ( 0.5906179 0.5906179 0.3187642), wk = 0.0026110 k( 332) = ( 0.5877861 0.5877861 0.3244278), wk = 0.0026110 k( 333) = ( 0.5849543 0.5849543 0.3300914), wk = 0.0026110 k( 334) = ( 0.5821225 0.5821225 0.3357551), wk = 0.0026110 k( 335) = ( 0.5792907 0.5792907 0.3414187), wk = 0.0026110 k( 336) = ( 0.5764588 0.5764588 0.3470823), wk = 0.0026110 k( 337) = ( 0.5736270 0.5736270 0.3527459), wk = 0.0026110 k( 338) = ( 0.5707952 0.5707952 0.3584095), wk = 0.0026110 k( 339) = ( 0.5679634 0.5679634 0.3640732), wk = 0.0026110 k( 340) = ( 0.5651316 0.5651316 0.3697368), wk = 0.0026110 k( 341) = ( 0.5622998 0.5622998 0.3754004), wk = 0.0026110 k( 342) = ( 0.5594680 0.5594680 0.3810640), wk = 0.0026110 k( 343) = ( 0.5566362 0.5566362 0.3867276), wk = 0.0026110 k( 344) = ( 0.5538044 0.5538044 0.3923913), wk = 0.0026110 k( 345) = ( 0.5509726 0.5509726 0.3980549), wk = 0.0026110 k( 346) = ( 0.5481408 0.5481408 0.4037185), wk = 0.0026110 k( 347) = ( 0.5453090 0.5453089 0.4093821), wk = 0.0026110 k( 348) = ( 0.5424771 0.5424771 0.4150457), wk = 0.0026110 k( 349) = ( 0.5396453 0.5396453 0.4207093), wk = 0.0026110 k( 350) = ( 0.5368135 0.5368135 0.4263730), wk = 0.0026110 k( 351) = ( 0.5339817 0.5339817 0.4320366), wk = 0.0026110 k( 352) = ( 0.5311499 0.5311499 0.4377002), wk = 0.0026110 k( 353) = ( 0.5283181 0.5283181 0.4433638), wk = 0.0026110 k( 354) = ( 0.5254863 0.5254863 0.4490274), wk = 0.0026110 k( 355) = ( 0.5226545 0.5226545 0.4546910), wk = 0.0026110 k( 356) = ( 0.5198227 0.5198227 0.4603547), wk = 0.0026110 k( 357) = ( 0.5169909 0.5169909 0.4660183), wk = 0.0026110 k( 358) = ( 0.5141590 0.5141590 0.4716819), wk = 0.0026110 k( 359) = ( 0.5113272 0.5113272 0.4773455), wk = 0.0026110 k( 360) = ( 0.5084954 0.5084954 0.4830091), wk = 0.0026110 k( 361) = ( 0.5056636 0.5056636 0.4886728), wk = 0.0026110 k( 362) = ( 0.5028318 0.5028318 0.4943364), wk = 0.0026110 k( 363) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026110 k( 364) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026110 k( 365) = ( 0.5166928 0.0179694 0.0179694), wk = 0.0026110 k( 366) = ( 0.5333855 0.0359388 0.0359388), wk = 0.0026110 k( 367) = ( 0.5500783 0.0539082 0.0539082), wk = 0.0026110 k( 368) = ( 0.5667711 0.0718776 0.0718776), wk = 0.0026110 k( 369) = ( 0.5834639 0.0898470 0.0898470), wk = 0.0026110 k( 370) = ( 0.6001566 0.1078164 0.1078164), wk = 0.0026110 k( 371) = ( 0.6168494 0.1257858 0.1257858), wk = 0.0026110 k( 372) = ( 0.6335422 0.1437552 0.1437552), wk = 0.0026110 k( 373) = ( 0.6502349 0.1617246 0.1617246), wk = 0.0026110 k( 374) = ( 0.6669277 0.1796940 0.1796940), wk = 0.0026110 k( 375) = ( 0.6836205 0.1976634 0.1976634), wk = 0.0026110 k( 376) = ( 0.7003132 0.2156328 0.2156328), wk = 0.0026110 k( 377) = ( 0.7170060 0.2336023 0.2336023), wk = 0.0026110 k( 378) = ( 0.7336988 0.2515717 0.2515717), wk = 0.0026110 k( 379) = ( 0.7503916 0.2695411 0.2695411), wk = 0.0026110 k( 380) = ( 0.7670843 0.2875105 0.2875105), wk = 0.0026110 k( 381) = ( 0.7837771 0.3054799 0.3054799), wk = 0.0026110 k( 382) = ( 0.8004699 0.3234493 0.3234493), wk = 0.0026110 k( 383) = ( 0.8171626 0.3414187 0.3414187), wk = 0.0026110 Dense grid: 32379 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 14063 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 108, 42) NL pseudopotentials 0.08 Mb ( 54, 96) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 902) G-vector shells 0.01 Mb ( 725) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.28 Mb ( 108, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.12 Mb ( 96, 2, 42) The potential is recalculated from file : ./TaCuN2.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.5 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.1 secs Computing kpt #: 9 total cpu time spent up to now is 6.3 secs Computing kpt #: 10 total cpu time spent up to now is 6.6 secs Computing kpt #: 11 total cpu time spent up to now is 6.9 secs Computing kpt #: 12 total cpu time spent up to now is 7.1 secs Computing kpt #: 13 total cpu time spent up to now is 7.4 secs Computing kpt #: 14 total cpu time spent up to now is 7.7 secs Computing kpt #: 15 total cpu time spent up to now is 7.9 secs Computing kpt #: 16 total cpu time spent up to now is 8.2 secs Computing kpt #: 17 total cpu time spent up to now is 8.5 secs Computing kpt #: 18 total cpu time spent up to now is 8.8 secs Computing kpt #: 19 total cpu time spent up to now is 9.1 secs Computing kpt #: 20 total cpu time spent up to now is 9.4 secs Computing kpt #: 21 total cpu time spent up to now is 9.7 secs Computing kpt #: 22 total cpu time spent up to now is 10.0 secs Computing kpt #: 23 total cpu time spent up to now is 10.3 secs Computing kpt #: 24 total cpu time spent up to now is 11.0 secs Computing kpt #: 25 total cpu time spent up to now is 11.3 secs Computing kpt #: 26 total cpu time spent up to now is 11.6 secs Computing kpt #: 27 total cpu time spent up to now is 11.9 secs Computing kpt #: 28 total cpu time spent up to now is 12.1 secs Computing kpt #: 29 total cpu time spent up to now is 12.4 secs Computing kpt #: 30 total cpu time spent up to now is 12.7 secs Computing kpt #: 31 total cpu time spent up to now is 13.0 secs Computing kpt #: 32 total cpu time spent up to now is 13.3 secs Computing kpt #: 33 total cpu time spent up to now is 13.6 secs Computing kpt #: 34 total cpu time spent up to now is 13.9 secs Computing kpt #: 35 total cpu time spent up to now is 14.2 secs Computing kpt #: 36 total cpu time spent up to now is 14.5 secs Computing kpt #: 37 total cpu time spent up to now is 14.8 secs Computing kpt #: 38 total cpu time spent up to now is 15.1 secs Computing kpt #: 39 total cpu time spent up to now is 15.4 secs Computing kpt #: 40 total cpu time spent 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24.9 secs Computing kpt #: 72 total cpu time spent up to now is 25.3 secs Computing kpt #: 73 total cpu time spent up to now is 25.8 secs Computing kpt #: 74 total cpu time spent up to now is 26.1 secs Computing kpt #: 75 total cpu time spent up to now is 26.4 secs Computing kpt #: 76 total cpu time spent up to now is 26.7 secs Computing kpt #: 77 total cpu time spent up to now is 27.1 secs Computing kpt #: 78 total cpu time spent up to now is 27.4 secs Computing kpt #: 79 total cpu time spent up to now is 27.7 secs Computing kpt #: 80 total cpu time spent up to now is 28.0 secs Computing kpt #: 81 total cpu time spent up to now is 28.4 secs Computing kpt #: 82 total cpu time spent up to now is 28.7 secs Computing kpt #: 83 total cpu time spent up to now is 29.0 secs Computing kpt #: 84 total cpu time spent up to now is 29.4 secs Computing kpt #: 85 total cpu time spent up to now is 29.7 secs Computing kpt #: 86 total cpu time spent up to now is 30.0 secs Computing kpt #: 87 total cpu 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total cpu time spent up to now is 40.5 secs Computing kpt #: 119 total cpu time spent up to now is 41.1 secs Computing kpt #: 120 total cpu time spent up to now is 41.4 secs Computing kpt #: 121 total cpu time spent up to now is 41.6 secs Computing kpt #: 122 total cpu time spent up to now is 41.9 secs Computing kpt #: 123 total cpu time spent up to now is 42.2 secs Computing kpt #: 124 total cpu time spent up to now is 42.5 secs Computing kpt #: 125 total cpu time spent up to now is 42.8 secs Computing kpt #: 126 total cpu time spent up to now is 43.1 secs Computing kpt #: 127 total cpu time spent up to now is 43.4 secs Computing kpt #: 128 total cpu time spent up to now is 43.7 secs Computing kpt #: 129 total cpu time spent up to now is 44.0 secs Computing kpt #: 130 total cpu time spent up to now is 44.3 secs Computing kpt #: 131 total cpu time spent up to now is 44.6 secs Computing kpt #: 132 total cpu time spent up to now is 44.9 secs Computing kpt #: 133 total cpu time spent up 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Computing kpt #: 149 total cpu time spent up to now is 49.6 secs Computing kpt #: 150 total cpu time spent up to now is 49.9 secs Computing kpt #: 151 total cpu time spent up to now is 50.2 secs Computing kpt #: 152 total cpu time spent up to now is 50.4 secs Computing kpt #: 153 total cpu time spent up to now is 50.7 secs Computing kpt #: 154 total cpu time spent up to now is 51.0 secs Computing kpt #: 155 total cpu time spent up to now is 51.2 secs Computing kpt #: 156 total cpu time spent up to now is 51.5 secs Computing kpt #: 157 total cpu time spent up to now is 51.8 secs Computing kpt #: 158 total cpu time spent up to now is 52.1 secs Computing kpt #: 159 total cpu time spent up to now is 52.3 secs Computing kpt #: 160 total cpu time spent up to now is 52.6 secs Computing kpt #: 161 total cpu time spent up to now is 52.8 secs Computing kpt #: 162 total cpu time spent up to now is 53.1 secs Computing kpt #: 163 total cpu time spent up to now is 53.4 secs Computing kpt #: 164 total cpu time spent up to now is 53.6 secs Computing kpt #: 165 total cpu time spent up to now is 53.9 secs Computing kpt #: 166 total cpu time spent up to now is 54.2 secs Computing kpt #: 167 total cpu time spent up to now is 54.4 secs Computing kpt #: 168 total cpu time spent up to now is 54.7 secs Computing kpt #: 169 total cpu time spent up to now is 55.0 secs Computing kpt #: 170 total cpu time spent up to now is 55.2 secs Computing kpt #: 171 total cpu time spent up to now is 55.5 secs Computing kpt #: 172 total cpu time spent up to now is 55.8 secs Computing kpt #: 173 total cpu time spent up to now is 56.1 secs Computing kpt #: 174 total cpu time spent up to now is 56.4 secs Computing kpt #: 175 total cpu time spent up to now is 56.6 secs Computing kpt #: 176 total cpu time spent up to now is 56.9 secs Computing kpt #: 177 total cpu time spent up to now is 57.2 secs Computing kpt #: 178 total cpu time spent up to now is 57.5 secs Computing kpt #: 179 total cpu time spent up to now is 57.7 secs Computing kpt #: 180 total cpu time spent up to now is 58.0 secs Computing kpt #: 181 total cpu time spent up to now is 58.3 secs Computing kpt #: 182 total cpu time spent up to now is 58.5 secs Computing kpt #: 183 total cpu time spent up to now is 58.8 secs Computing kpt #: 184 total cpu time spent up to now is 59.1 secs Computing kpt #: 185 total cpu time spent up to now is 59.3 secs Computing kpt #: 186 total cpu time spent up to now is 59.6 secs Computing kpt #: 187 total cpu time spent up to now is 59.9 secs Computing kpt #: 188 total cpu time spent up to now is 60.1 secs Computing kpt #: 189 total cpu time spent up to now is 60.4 secs Computing kpt #: 190 total cpu time spent up to now is 60.6 secs Computing kpt #: 191 total cpu time spent up to now is 60.9 secs Computing kpt #: 192 total cpu time spent up to now is 61.2 secs Computing kpt #: 193 total cpu time spent up to now is 61.4 secs Computing kpt #: 194 total cpu time spent up to now is 61.7 secs Computing kpt #: 195 total cpu time spent up to now is 61.9 secs Computing kpt #: 196 total cpu time spent up to now is 62.2 secs Computing kpt #: 197 total cpu time spent up to now is 62.4 secs Computing kpt #: 198 total cpu time spent up to now is 62.7 secs Computing kpt #: 199 total cpu time spent up to now is 63.0 secs Computing kpt #: 200 total cpu time spent up to now is 63.2 secs Computing kpt #: 201 total cpu time spent up to now is 63.5 secs Computing kpt #: 202 total cpu time spent up to now is 63.7 secs Computing kpt #: 203 total cpu time spent up to now is 64.0 secs Computing kpt #: 204 total cpu time spent up to now is 64.3 secs Computing kpt #: 205 total cpu time spent up to now is 64.5 secs Computing kpt #: 206 total cpu time spent up to now is 64.8 secs Computing kpt #: 207 total cpu time spent up to now is 65.1 secs Computing kpt #: 208 total cpu time spent up to now is 65.4 secs Computing kpt #: 209 total cpu time spent up to now is 65.6 secs Computing kpt #: 210 total cpu time spent up to now is 65.9 secs Computing kpt #: 211 total cpu time spent up to now is 66.2 secs Computing kpt #: 212 total cpu time spent up to now is 66.5 secs Computing kpt #: 213 total cpu time spent up to now is 66.8 secs Computing kpt #: 214 total cpu time spent up to now is 67.0 secs Computing kpt #: 215 total cpu time spent up to now is 67.3 secs Computing kpt #: 216 total cpu time spent up to now is 67.6 secs Computing kpt #: 217 total cpu time spent up to now is 67.9 secs Computing kpt #: 218 total cpu time spent up to now is 68.2 secs Computing kpt #: 219 total cpu time spent up to now is 68.5 secs Computing kpt #: 220 total cpu time spent up to now is 68.8 secs Computing kpt #: 221 total cpu time spent up to now is 69.1 secs Computing kpt #: 222 total cpu time spent up to now is 69.3 secs Computing kpt #: 223 total cpu time spent up to now is 69.6 secs Computing kpt #: 224 total cpu time spent up to now is 69.9 secs Computing kpt #: 225 total cpu time spent up to now is 70.2 secs Computing kpt #: 226 total cpu time spent up to now is 70.5 secs Computing kpt #: 227 total cpu time spent up to now is 70.8 secs Computing kpt #: 228 total cpu time spent up to now is 71.1 secs Computing kpt #: 229 total cpu time spent up to now is 71.4 secs Computing kpt #: 230 total cpu time spent up to now is 71.7 secs Computing kpt #: 231 total cpu time spent up to now is 72.0 secs Computing kpt #: 232 total cpu time spent up to now is 72.3 secs Computing kpt #: 233 total cpu time spent up to now is 72.6 secs Computing kpt #: 234 total cpu time spent up to now is 72.9 secs Computing kpt #: 235 total cpu time spent up to now is 73.2 secs Computing kpt #: 236 total cpu time spent up to now is 73.5 secs Computing kpt #: 237 total cpu time spent up to now is 73.8 secs Computing kpt #: 238 total cpu time spent up to now is 74.1 secs Computing kpt #: 239 total cpu time spent up to now is 74.4 secs Computing kpt #: 240 total cpu time spent up to now is 74.7 secs Computing kpt #: 241 total cpu time spent up to now is 75.0 secs Computing kpt #: 242 total cpu time spent up to now is 75.3 secs Computing kpt #: 243 total cpu time spent up to now is 75.6 secs Computing kpt #: 244 total cpu time spent up to now is 75.9 secs Computing kpt #: 245 total cpu time spent up to now is 76.3 secs Computing kpt #: 246 total cpu time spent up to now is 76.6 secs Computing kpt #: 247 total cpu time spent up to now is 76.9 secs Computing kpt #: 248 total cpu time spent up to now is 77.2 secs Computing kpt #: 249 total cpu time spent up to now is 77.6 secs Computing kpt #: 250 total cpu time spent up to now is 77.9 secs Computing kpt #: 251 total cpu time spent up to now is 78.2 secs Computing kpt #: 252 total cpu time spent up to now is 78.5 secs Computing kpt #: 253 total cpu time spent up to now is 78.9 secs Computing kpt #: 254 total cpu time spent up to now is 79.2 secs Computing kpt #: 255 total cpu time spent up to now is 79.6 secs Computing kpt #: 256 total cpu time spent up to now is 80.0 secs Computing kpt #: 257 total cpu time spent up to now is 80.3 secs Computing kpt #: 258 total cpu time spent up to now is 80.7 secs Computing kpt #: 259 total cpu time spent up to now is 81.0 secs Computing kpt #: 260 total cpu time spent up to now is 81.4 secs Computing kpt #: 261 total cpu time spent up to now is 81.7 secs Computing kpt #: 262 total cpu time spent up to now is 82.0 secs Computing kpt #: 263 total cpu time spent up to now is 82.3 secs Computing kpt #: 264 total cpu time spent up to now is 82.7 secs Computing kpt #: 265 total cpu time spent up to now is 83.0 secs Computing kpt #: 266 total cpu time spent up to now is 83.3 secs Computing kpt #: 267 total cpu time spent up to now is 83.6 secs Computing kpt #: 268 total cpu time spent up to now is 83.9 secs Computing kpt #: 269 total cpu time spent up to now is 84.2 secs Computing kpt #: 270 total cpu time spent up to now is 84.5 secs Computing kpt #: 271 total cpu time spent up to now is 84.9 secs Computing kpt #: 272 total cpu time spent up to now is 85.2 secs Computing kpt #: 273 total cpu time spent up to now is 85.5 secs Computing kpt #: 274 total cpu time spent up to now is 85.8 secs Computing kpt #: 275 total cpu time spent up to now is 86.2 secs Computing kpt #: 276 total cpu time spent up to now is 86.5 secs Computing kpt #: 277 total cpu time spent up to now is 86.8 secs Computing kpt #: 278 total cpu time spent up to now is 87.1 secs Computing kpt #: 279 total cpu time spent up to now is 87.4 secs Computing kpt #: 280 total cpu time spent up to now is 87.7 secs Computing kpt #: 281 total cpu time spent up to now is 88.0 secs Computing kpt #: 282 total cpu time spent up to now is 88.3 secs Computing kpt #: 283 total cpu time spent up to now is 88.6 secs Computing kpt #: 284 total cpu time spent up to now is 88.8 secs Computing kpt #: 285 total cpu time spent up to now is 89.1 secs Computing kpt #: 286 total cpu time spent up to now is 89.4 secs Computing kpt #: 287 total cpu time spent up to now is 89.7 secs Computing kpt #: 288 total cpu time spent up to now is 90.0 secs Computing kpt #: 289 total cpu time spent up to now is 90.3 secs Computing kpt #: 290 total cpu time spent up to now is 90.6 secs Computing kpt #: 291 total cpu time spent up to now is 90.9 secs Computing kpt #: 292 total cpu time spent up to now is 91.1 secs Computing kpt #: 293 total cpu time spent up to now is 91.4 secs Computing kpt #: 294 total cpu time spent up to now is 91.7 secs Computing kpt #: 295 total cpu time spent up to now is 92.0 secs Computing kpt #: 296 total cpu time spent up to now is 92.3 secs Computing kpt #: 297 total cpu time spent up to now is 92.5 secs Computing kpt #: 298 total cpu time spent up to now is 92.8 secs Computing kpt #: 299 total cpu time spent up to now is 93.1 secs Computing kpt #: 300 total cpu time spent up to now is 93.4 secs Computing kpt #: 301 total cpu time spent up to now is 93.7 secs Computing kpt #: 302 total cpu time spent up to now is 93.9 secs Computing kpt #: 303 total cpu time spent up to now is 94.2 secs Computing kpt #: 304 total cpu time spent up to now is 94.5 secs Computing kpt #: 305 total cpu time spent up to now is 94.8 secs Computing kpt #: 306 total cpu time spent up to now is 95.1 secs Computing kpt #: 307 total cpu time spent up to now is 95.4 secs Computing kpt #: 308 total cpu time spent up to now is 95.7 secs Computing kpt #: 309 total cpu time spent up to now is 95.9 secs Computing kpt #: 310 total cpu time spent up to now is 96.2 secs Computing kpt #: 311 total cpu time spent up to now is 96.5 secs Computing kpt #: 312 total cpu time spent up to now is 96.8 secs Computing kpt #: 313 total cpu time spent up to now is 97.1 secs Computing kpt #: 314 total cpu time spent up to now is 97.4 secs Computing kpt #: 315 total cpu time spent up to now is 97.7 secs Computing kpt #: 316 total cpu time spent up to now is 97.9 secs Computing kpt #: 317 total cpu time spent up to now is 98.2 secs Computing kpt #: 318 total cpu time spent up to now is 98.5 secs Computing kpt #: 319 total cpu time spent up to now is 98.8 secs Computing kpt #: 320 total cpu time spent up to now is 99.1 secs Computing kpt #: 321 total cpu time spent up to now is 99.4 secs Computing kpt #: 322 total cpu time spent up to now is 99.7 secs Computing kpt #: 323 total cpu time spent up to now is 100.0 secs Computing kpt #: 324 total cpu time spent up to now is 100.3 secs Computing kpt #: 325 total cpu time spent up to now is 100.6 secs Computing kpt #: 326 total cpu time spent up to now is 100.9 secs Computing kpt #: 327 total cpu time spent up to now is 101.2 secs Computing kpt #: 328 total cpu time spent up to now is 101.5 secs Computing kpt #: 329 total cpu time spent up to now is 101.8 secs Computing kpt #: 330 total cpu time spent up to now is 102.1 secs Computing kpt #: 331 total cpu time spent up to now is 102.4 secs Computing kpt #: 332 total cpu time spent up to now is 102.7 secs Computing kpt #: 333 total cpu time spent up to now is 103.0 secs Computing kpt #: 334 total cpu time spent up to now is 103.3 secs Computing kpt #: 335 total cpu time spent up to now is 103.6 secs Computing kpt #: 336 total cpu time spent up to now is 103.9 secs Computing kpt #: 337 total cpu time spent up to now is 104.2 secs Computing kpt #: 338 total cpu time spent up to now is 104.5 secs Computing kpt #: 339 total cpu time spent up to now is 104.8 secs Computing kpt #: 340 total cpu time spent up to now is 105.1 secs Computing kpt #: 341 total cpu time spent up to now is 105.3 secs Computing kpt #: 342 total cpu time spent up to now is 105.6 secs Computing kpt #: 343 total cpu time spent up to now is 105.9 secs Computing kpt #: 344 total cpu time spent up to now is 106.2 secs Computing kpt #: 345 total cpu time spent up to now is 106.4 secs Computing kpt #: 346 total cpu time spent up to now is 106.7 secs Computing kpt #: 347 total cpu time spent up to now is 107.0 secs Computing kpt #: 348 total cpu time spent up to now is 107.3 secs Computing kpt #: 349 total cpu time spent up to now is 107.5 secs Computing kpt #: 350 total cpu time spent up to now is 107.8 secs Computing kpt #: 351 total cpu time spent up to now is 108.1 secs Computing kpt #: 352 total cpu time spent up to now is 108.3 secs Computing kpt #: 353 total cpu time spent up to now is 108.6 secs Computing kpt #: 354 total cpu time spent up to now is 108.9 secs Computing kpt #: 355 total cpu time spent up to now is 109.2 secs Computing kpt #: 356 total cpu time spent up to now is 109.4 secs Computing kpt #: 357 total cpu time spent up to now is 109.7 secs Computing kpt #: 358 total cpu time spent up to now is 110.0 secs Computing kpt #: 359 total cpu time spent up to now is 110.2 secs Computing kpt #: 360 total cpu time spent up to now is 110.5 secs Computing kpt #: 361 total cpu time spent up to now is 110.7 secs Computing kpt #: 362 total cpu time spent up to now is 111.0 secs Computing kpt #: 363 total cpu time spent up to now is 111.3 secs Computing kpt #: 364 total cpu time spent up to now is 111.6 secs Computing kpt #: 365 total cpu time spent up to now is 111.9 secs Computing kpt #: 366 total cpu time spent up to now is 112.2 secs Computing kpt #: 367 total cpu time spent up to now is 112.5 secs Computing kpt #: 368 total cpu time spent up to now is 112.8 secs Computing kpt #: 369 total cpu time spent up to now is 113.1 secs Computing kpt #: 370 total cpu time spent up to now is 113.5 secs Computing kpt #: 371 total cpu time spent up to now is 113.8 secs Computing kpt #: 372 total cpu time spent up to now is 114.2 secs Computing kpt #: 373 total cpu time spent up to now is 114.6 secs Computing kpt #: 374 total cpu time spent up to now is 114.9 secs Computing kpt #: 375 total cpu time spent up to now is 115.2 secs Computing kpt #: 376 total cpu time spent up to now is 115.5 secs Computing kpt #: 377 total cpu time spent up to now is 115.8 secs Computing kpt #: 378 total cpu time spent up to now is 116.1 secs Computing kpt #: 379 total cpu time spent up to now is 116.4 secs Computing kpt #: 380 total cpu time spent up to now is 116.7 secs Computing kpt #: 381 total cpu time spent up to now is 117.0 secs Computing kpt #: 382 total cpu time spent up to now is 117.3 secs Computing kpt #: 383 total cpu time spent up to now is 117.6 secs ethr = 2.94E-08, avg # of iterations = 11.6 total cpu time spent up to now is 117.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1745 PWs) bands (ev): -56.2637 -56.2637 -29.1240 -29.1240 -20.5756 -20.5756 -20.3189 -20.3189 -4.9342 -4.9342 -0.9144 -0.9144 4.6887 4.6887 5.2659 5.2659 5.3973 5.3973 8.6578 8.6578 9.3412 9.3412 9.8039 9.8039 10.0518 10.0518 10.1227 10.1227 10.2519 10.2519 11.1864 11.1864 11.4177 11.4177 13.1857 13.1857 13.5719 13.5719 13.6301 13.6301 16.3774 16.3774 k = 0.0085-0.0148-0.0089 ( 1749 PWs) bands (ev): -56.2637 -56.2637 -29.1241 -29.1241 -20.5757 -20.5757 -20.3193 -20.3193 -4.9324 -4.9324 -0.9161 -0.9161 4.6900 4.6900 5.2668 5.2668 5.3983 5.3983 8.6581 8.6581 9.3435 9.3435 9.8039 9.8039 10.0518 10.0518 10.1224 10.1224 10.2517 10.2517 11.1812 11.1812 11.4117 11.4117 13.1875 13.1875 13.5762 13.5762 13.6343 13.6343 16.3780 16.3780 k = 0.0169-0.0295-0.0179 ( 1751 PWs) bands (ev): -56.2636 -56.2636 -29.1245 -29.1245 -20.5760 -20.5760 -20.3207 -20.3207 -4.9270 -4.9270 -0.9212 -0.9212 4.6940 4.6940 5.2696 5.2696 5.4012 5.4012 8.6589 8.6589 9.3503 9.3503 9.8039 9.8039 10.0518 10.0518 10.1219 10.1219 10.2512 10.2512 11.1659 11.1659 11.3940 11.3940 13.1927 13.1927 13.5887 13.5887 13.6469 13.6469 16.3800 16.3800 k = 0.0254-0.0443-0.0268 ( 1750 PWs) bands (ev): -56.2635 -56.2635 -29.1250 -29.1250 -20.5764 -20.5764 -20.3230 -20.3230 -4.9178 -4.9178 -0.9297 -0.9297 4.7007 4.7007 5.2741 5.2741 5.4062 5.4062 8.6603 8.6603 9.3616 9.3616 9.8040 9.8040 10.0519 10.0519 10.1211 10.1211 10.2504 10.2504 11.1405 11.1405 11.3656 11.3656 13.2008 13.2008 13.6093 13.6093 13.6677 13.6677 16.3833 16.3833 k = 0.0339-0.0591-0.0357 ( 1753 PWs) bands (ev): -56.2633 -56.2633 -29.1257 -29.1257 -20.5769 -20.5769 -20.3262 -20.3262 -4.9051 -4.9051 -0.9415 -0.9415 4.7100 4.7100 5.2802 5.2802 5.4133 5.4133 8.6622 8.6622 9.3771 9.3771 9.8039 9.8039 10.0519 10.0519 10.1199 10.1199 10.2492 10.2492 11.1054 11.1054 11.3280 11.3280 13.2111 13.2111 13.6373 13.6373 13.6963 13.6963 16.3878 16.3878 k = 0.0424-0.0738-0.0447 ( 1755 PWs) bands (ev): -56.2630 -56.2630 -29.1267 -29.1267 -20.5777 -20.5777 -20.3303 -20.3303 -4.8888 -4.8888 -0.9566 -0.9566 4.7219 4.7219 5.2879 5.2879 5.4226 5.4226 8.6646 8.6646 9.3966 9.3966 9.8038 9.8038 10.0519 10.0519 10.1183 10.1183 10.2477 10.2477 11.0611 11.0611 11.2829 11.2829 13.2229 13.2229 13.6717 13.6717 13.7325 13.7325 16.3934 16.3934 k = 0.0508-0.0886-0.0536 ( 1757 PWs) bands (ev): -56.2627 -56.2627 -29.1278 -29.1278 -20.5786 -20.5786 -20.3352 -20.3352 -4.8690 -4.8690 -0.9748 -0.9748 4.7364 4.7364 5.2970 5.2970 5.4342 5.4342 8.6673 8.6673 9.4198 9.4198 9.8037 9.8037 10.0520 10.0520 10.1164 10.1164 10.2458 10.2458 11.0084 11.0084 11.2322 11.2322 13.2355 13.2355 13.7115 13.7115 13.7757 13.7757 16.3999 16.3999 k = 0.0593-0.1034-0.0625 ( 1759 PWs) bands (ev): -56.2624 -56.2624 -29.1291 -29.1291 -20.5797 -20.5797 -20.3410 -20.3410 -4.8457 -4.8457 -0.9960 -0.9960 4.7536 4.7536 5.3072 5.3072 5.4482 5.4482 8.6703 8.6703 9.4461 9.4461 9.8034 9.8034 10.0521 10.0521 10.1141 10.1141 10.2437 10.2437 10.9482 10.9482 11.1775 11.1775 13.2488 13.2488 13.7554 13.7554 13.8256 13.8256 16.4072 16.4072 k = 0.0678-0.1181-0.0714 ( 1761 PWs) bands (ev): -56.2620 -56.2620 -29.1307 -29.1307 -20.5811 -20.5811 -20.3475 -20.3475 -4.8190 -4.8190 -1.0201 -1.0201 4.7733 4.7733 5.3185 5.3185 5.4648 5.4648 8.6734 8.6734 9.4749 9.4749 9.8031 9.8031 10.0523 10.0523 10.1115 10.1115 10.2413 10.2413 10.8819 10.8819 11.1201 11.1201 13.2625 13.2625 13.8022 13.8022 13.8814 13.8814 16.4151 16.4151 k = 0.0763-0.1329-0.0804 ( 1761 PWs) bands (ev): -56.2616 -56.2616 -29.1324 -29.1324 -20.5827 -20.5827 -20.3546 -20.3546 -4.7889 -4.7889 -1.0470 -1.0470 4.7956 4.7956 5.3307 5.3307 5.4840 5.4840 8.6763 8.6763 9.5053 9.5053 9.8027 9.8027 10.0526 10.0526 10.1085 10.1085 10.2386 10.2386 10.8112 10.8112 11.0611 11.0611 13.2765 13.2765 13.8507 13.8507 13.9426 13.9426 16.4234 16.4234 k = 0.0847-0.1477-0.0893 ( 1761 PWs) bands (ev): -56.2610 -56.2610 -29.1343 -29.1343 -20.5845 -20.5845 -20.3625 -20.3625 -4.7555 -4.7555 -1.0764 -1.0764 4.8204 4.8204 5.3435 5.3435 5.5060 5.5060 8.6790 8.6790 9.5360 9.5360 9.8024 9.8024 10.0531 10.0531 10.1053 10.1053 10.2357 10.2357 10.7380 10.7380 11.0013 11.0013 13.2908 13.2908 13.9001 13.9001 14.0083 14.0083 16.4318 16.4318 k = 0.0932-0.1624-0.0982 ( 1766 PWs) bands (ev): -56.2605 -56.2605 -29.1364 -29.1364 -20.5867 -20.5867 -20.3709 -20.3709 -4.7189 -4.7189 -1.1082 -1.1082 4.8477 4.8477 5.3569 5.3569 5.5306 5.5306 8.6809 8.6809 9.5652 9.5652 9.8023 9.8023 10.0537 10.0537 10.1020 10.1020 10.2327 10.2327 10.6644 10.6644 10.9412 10.9412 13.3057 13.3057 13.9497 13.9497 14.0779 14.0779 16.4400 16.4400 k = 0.1017-0.1772-0.1072 ( 1770 PWs) bands (ev): -56.2599 -56.2599 -29.1387 -29.1387 -20.5892 -20.5892 -20.3798 -20.3798 -4.6793 -4.6793 -1.1422 -1.1422 4.8774 4.8774 5.3709 5.3709 5.5580 5.5580 8.6819 8.6819 9.5905 9.5905 9.8030 9.8030 10.0549 10.0549 10.0988 10.0988 10.2297 10.2297 10.5929 10.5929 10.8816 10.8816 13.3211 13.3211 13.9989 13.9989 14.1504 14.1504 16.4477 16.4477 k = 0.1102-0.1920-0.1161 ( 1770 PWs) bands (ev): -56.2593 -56.2593 -29.1412 -29.1412 -20.5921 -20.5921 -20.3891 -20.3891 -4.6366 -4.6366 -1.1782 -1.1782 4.9095 4.9095 5.3853 5.3853 5.5880 5.5880 8.6814 8.6814 9.6086 9.6086 9.8053 9.8053 10.0566 10.0566 10.0961 10.0961 10.2270 10.2270 10.5259 10.5259 10.8228 10.8228 13.3372 13.3372 14.0474 14.0474 14.2253 14.2253 16.4546 16.4546 k = 0.1186-0.2067-0.1250 ( 1770 PWs) bands (ev): -56.2586 -56.2586 -29.1438 -29.1438 -20.5955 -20.5955 -20.3987 -20.3987 -4.5911 -4.5911 -1.2160 -1.2160 4.9440 4.9440 5.4001 5.4001 5.6206 5.6206 8.6789 8.6789 9.6163 9.6163 9.8094 9.8094 10.0589 10.0589 10.0947 10.0947 10.2251 10.2251 10.4658 10.4658 10.7657 10.7657 13.3541 13.3541 14.0947 14.0947 14.3018 14.3018 16.4604 16.4604 k = 0.1271-0.2215-0.1340 ( 1771 PWs) bands (ev): -56.2579 -56.2579 -29.1465 -29.1465 -20.5994 -20.5994 -20.4085 -20.4085 -4.5428 -4.5428 -1.2554 -1.2554 4.9807 4.9807 5.4153 5.4153 5.6556 5.6556 8.6736 8.6736 9.6116 9.6116 9.8149 9.8149 10.0607 10.0607 10.0957 10.0957 10.2246 10.2246 10.4151 10.4151 10.7109 10.7109 13.3719 13.3719 14.1407 14.1407 14.3794 14.3794 16.4646 16.4646 k = 0.1356-0.2363-0.1429 ( 1775 PWs) bands (ev): -56.2571 -56.2571 -29.1495 -29.1495 -20.6039 -20.6039 -20.4184 -20.4184 -4.4920 -4.4920 -1.2961 -1.2961 5.0196 5.0196 5.4309 5.4309 5.6931 5.6931 8.6647 8.6647 9.5948 9.5948 9.8202 9.8202 10.0602 10.0602 10.1000 10.1000 10.2257 10.2257 10.3760 10.3760 10.6593 10.6593 13.3907 13.3907 14.1852 14.1852 14.4575 14.4575 16.4670 16.4670 k = 0.1441-0.2511-0.1518 ( 1775 PWs) bands (ev): -56.2563 -56.2563 -29.1525 -29.1525 -20.6091 -20.6091 -20.4281 -20.4281 -4.4386 -4.4386 -1.3379 -1.3379 5.0605 5.0605 5.4469 5.4469 5.7327 5.7327 8.6512 8.6512 9.5680 9.5680 9.8240 9.8240 10.0561 10.0561 10.1066 10.1066 10.2269 10.2269 10.3522 10.3522 10.6119 10.6119 13.4106 13.4106 14.2281 14.2281 14.5357 14.5357 16.4672 16.4672 k = 0.1525-0.2658-0.1607 ( 1775 PWs) bands (ev): -56.2555 -56.2555 -29.1557 -29.1557 -20.6151 -20.6151 -20.4377 -20.4377 -4.3830 -4.3830 -1.3806 -1.3806 5.1034 5.1034 5.4632 5.4632 5.7744 5.7744 8.6321 8.6321 9.5344 9.5344 9.8259 9.8259 10.0477 10.0477 10.1133 10.1133 10.2238 10.2238 10.3481 10.3481 10.5699 10.5699 13.4316 13.4316 14.2693 14.2693 14.6135 14.6135 16.4649 16.4649 k = 0.1610-0.2806-0.1697 ( 1773 PWs) bands (ev): -56.2546 -56.2546 -29.1590 -29.1590 -20.6219 -20.6219 -20.4469 -20.4469 -4.3253 -4.3253 -1.4240 -1.4240 5.1481 5.1481 5.4798 5.4798 5.8181 5.8181 8.6063 8.6063 9.4978 9.4978 9.8260 9.8260 10.0346 10.0346 10.1189 10.1189 10.2140 10.2140 10.3634 10.3634 10.5354 10.5354 13.4537 13.4537 14.3089 14.3089 14.6903 14.6903 16.4597 16.4597 k = 0.1695-0.2954-0.1786 ( 1774 PWs) bands (ev): -56.2537 -56.2537 -29.1624 -29.1624 -20.6296 -20.6296 -20.4557 -20.4557 -4.2656 -4.2656 -1.4678 -1.4678 5.1942 5.1942 5.4970 5.4970 5.8636 5.8636 8.5729 8.5729 9.4613 9.4613 9.8248 9.8248 10.0163 10.0163 10.1236 10.1236 10.2004 10.2004 10.3891 10.3891 10.5117 10.5117 13.4771 13.4771 14.3468 14.3468 14.7658 14.7658 16.4513 16.4513 k = 0.1780-0.3101-0.1875 ( 1774 PWs) bands (ev): -56.2528 -56.2528 -29.1659 -29.1659 -20.6383 -20.6383 -20.4639 -20.4639 -4.2042 -4.2042 -1.5117 -1.5117 5.2415 5.2415 5.5147 5.5147 5.9108 5.9108 8.5317 8.5317 9.4279 9.4279 9.8227 9.8227 9.9928 9.9928 10.1277 10.1277 10.1866 10.1866 10.4101 10.4101 10.5080 10.5080 13.5017 13.5017 14.3829 14.3829 14.8397 14.8397 16.4395 16.4395 k = 0.1864-0.3249-0.1965 ( 1776 PWs) bands (ev): -56.2518 -56.2518 -29.1696 -29.1696 -20.6479 -20.6479 -20.4715 -20.4715 -4.1413 -4.1413 -1.5555 -1.5555 5.2894 5.2894 5.5332 5.5332 5.9594 5.9594 8.4825 8.4825 9.3992 9.3992 9.8195 9.8195 9.9643 9.9643 10.1308 10.1308 10.1748 10.1748 10.4138 10.4138 10.5325 10.5325 13.5276 13.5276 14.4175 14.4175 14.9114 14.9114 16.4240 16.4240 k = 0.1949-0.3397-0.2054 ( 1780 PWs) bands (ev): -56.2509 -56.2509 -29.1733 -29.1733 -20.6586 -20.6586 -20.4784 -20.4784 -4.0771 -4.0771 -1.5990 -1.5990 5.3371 5.3371 5.5531 5.5531 6.0094 6.0094 8.4262 8.4262 9.3760 9.3760 9.8153 9.8153 9.9320 9.9320 10.1320 10.1320 10.1670 10.1670 10.4077 10.4077 10.5748 10.5748 13.5547 13.5547 14.4504 14.4504 14.9807 14.9807 16.4045 16.4045 k = 0.2034-0.3544-0.2143 ( 1778 PWs) bands (ev): -56.2499 -56.2499 -29.1771 -29.1771 -20.6701 -20.6701 -20.4846 -20.4846 -4.0120 -4.0120 -1.6418 -1.6418 5.3832 5.3832 5.5754 5.5754 6.0605 6.0605 8.3639 8.3639 9.3585 9.3585 9.8092 9.8092 9.8976 9.8976 10.1299 10.1299 10.1650 10.1650 10.4008 10.4008 10.6236 10.6236 13.5832 13.5832 14.4819 14.4819 15.0472 15.0472 16.3810 16.3810 k = 0.2119-0.3692-0.2233 ( 1776 PWs) bands (ev): -56.2489 -56.2489 -29.1810 -29.1810 -20.6825 -20.6825 -20.4902 -20.4902 -3.9461 -3.9461 -1.6836 -1.6836 5.4257 5.4257 5.6018 5.6018 6.1127 6.1127 8.2973 8.2973 9.3461 9.3461 9.7993 9.7993 9.8641 9.8641 10.1251 10.1251 10.1679 10.1679 10.3956 10.3956 10.6745 10.6745 13.6129 13.6129 14.5118 14.5118 15.1106 15.1106 16.3534 16.3534 k = 0.2203-0.3840-0.2322 ( 1780 PWs) bands (ev): -56.2479 -56.2479 -29.1849 -29.1849 -20.6957 -20.6957 -20.4951 -20.4951 -3.8799 -3.8799 -1.7242 -1.7242 5.4620 5.4620 5.6344 5.6344 6.1656 6.1656 8.2279 8.2279 9.3380 9.3380 9.7805 9.7805 9.8373 9.8373 10.1197 10.1197 10.1736 10.1736 10.3924 10.3924 10.7254 10.7254 13.6437 13.6437 14.5403 14.5403 15.1705 15.1705 16.3214 16.3214 k = 0.2288-0.3987-0.2411 ( 1782 PWs) bands (ev): -56.2468 -56.2468 -29.1889 -29.1889 -20.7095 -20.7095 -20.4995 -20.4995 -3.8137 -3.8137 -1.7632 -1.7632 5.4901 5.4901 5.6747 5.6747 6.2192 6.2192 8.1574 8.1574 9.3334 9.3334 9.7501 9.7501 9.8208 9.8208 10.1152 10.1152 10.1809 10.1809 10.3914 10.3914 10.7751 10.7751 13.6757 13.6757 14.5674 14.5674 15.2265 15.2265 16.2852 16.2852 k = 0.2373-0.4135-0.2500 ( 1782 PWs) bands (ev): -56.2458 -56.2458 -29.1929 -29.1929 -20.7239 -20.7239 -20.5033 -20.5033 -3.7479 -3.7479 -1.8002 -1.8002 5.5098 5.5098 5.7225 5.7225 6.2732 6.2732 8.0875 8.0875 9.3315 9.3315 9.7131 9.7131 9.8100 9.8100 10.1122 10.1122 10.1893 10.1893 10.3922 10.3922 10.8230 10.8230 13.7087 13.7087 14.5931 14.5931 15.2783 15.2783 16.2449 16.2449 k = 0.2458-0.4283-0.2590 ( 1780 PWs) bands (ev): -56.2448 -56.2448 -29.1969 -29.1969 -20.7387 -20.7387 -20.5067 -20.5067 -3.6828 -3.6828 -1.8348 -1.8348 5.5220 5.5220 5.7761 5.7761 6.3275 6.3275 8.0194 8.0194 9.3316 9.3316 9.6742 9.6742 9.8006 9.8006 10.1110 10.1110 10.1985 10.1985 10.3947 10.3947 10.8684 10.8684 13.7425 13.7425 14.6175 14.6175 15.3257 15.3257 16.2007 16.2007 k = 0.2542-0.4430-0.2679 ( 1780 PWs) bands (ev): -56.2437 -56.2437 -29.2009 -29.2009 -20.7538 -20.7538 -20.5096 -20.5096 -3.6191 -3.6191 -1.8666 -1.8666 5.5279 5.5279 5.8339 5.8339 6.3818 6.3818 7.9546 7.9546 9.3328 9.3328 9.6351 9.6351 9.7909 9.7909 10.1120 10.1120 10.2084 10.2084 10.3986 10.3986 10.9111 10.9111 13.7770 13.7770 14.6406 14.6406 15.3682 15.3682 16.1529 16.1529 k = 0.2627-0.4578-0.2768 ( 1772 PWs) bands (ev): -56.2427 -56.2427 -29.2049 -29.2049 -20.7690 -20.7690 -20.5122 -20.5122 -3.5572 -3.5572 -1.8952 -1.8952 5.5283 5.5283 5.8946 5.8946 6.4360 6.4360 7.8942 7.8942 9.3347 9.3347 9.5968 9.5968 9.7802 9.7802 10.1154 10.1154 10.2189 10.2189 10.4039 10.4039 10.9506 10.9506 13.8119 13.8119 14.6623 14.6623 15.4056 15.4056 16.1019 16.1019 k = 0.2712-0.4726-0.2858 ( 1773 PWs) bands (ev): -56.2416 -56.2416 -29.2089 -29.2089 -20.7845 -20.7845 -20.5145 -20.5145 -3.4978 -3.4978 -1.9201 -1.9201 5.5232 5.5232 5.9572 5.9572 6.4897 6.4897 7.8393 7.8393 9.3369 9.3369 9.5599 9.5599 9.7680 9.7680 10.1212 10.1212 10.2299 10.2299 10.4104 10.4104 10.9867 10.9867 13.8468 13.8468 14.6827 14.6827 15.4373 15.4373 16.0485 16.0485 k = 0.2797-0.4873-0.2947 ( 1769 PWs) bands (ev): -56.2406 -56.2406 -29.2129 -29.2129 -20.8000 -20.8000 -20.5165 -20.5165 -3.4414 -3.4414 -1.9406 -1.9406 5.5129 5.5129 6.0213 6.0213 6.5429 6.5429 7.7908 7.7908 9.3388 9.3388 9.5247 9.5247 9.7541 9.7541 10.1298 10.1298 10.2415 10.2415 10.4182 10.4182 11.0193 11.0193 13.8813 13.8813 14.7018 14.7018 15.4628 15.4628 15.9936 15.9936 k = 0.2881-0.5021-0.3036 ( 1769 PWs) bands (ev): -56.2396 -56.2396 -29.2168 -29.2168 -20.8155 -20.8155 -20.5183 -20.5183 -3.3886 -3.3886 -1.9563 -1.9563 5.4972 5.4972 6.0862 6.0862 6.5952 6.5952 7.7493 7.7493 9.3401 9.3401 9.4914 9.4914 9.7383 9.7383 10.1408 10.1408 10.2535 10.2535 10.4269 10.4269 11.0485 11.0485 13.9149 13.9149 14.7196 14.7196 15.4816 15.4816 15.9384 15.9384 k = 0.2966-0.5169-0.3126 ( 1769 PWs) bands (ev): -56.2385 -56.2385 -29.2207 -29.2207 -20.8308 -20.8308 -20.5199 -20.5199 -3.3402 -3.3402 -1.9668 -1.9668 5.4763 5.4763 6.1516 6.1516 6.6465 6.6465 7.7155 7.7155 9.3404 9.3404 9.4606 9.4606 9.7207 9.7207 10.1545 10.1545 10.2662 10.2662 10.4367 10.4367 11.0743 11.0743 13.9468 13.9468 14.7362 14.7362 15.4925 15.4925 15.8849 15.8849 k = 0.3051-0.5316-0.3215 ( 1769 PWs) bands (ev): -56.2376 -56.2376 -29.2246 -29.2246 -20.8460 -20.8460 -20.5213 -20.5213 -3.2967 -3.2967 -1.9714 -1.9714 5.4503 5.4503 6.2172 6.2172 6.6966 6.6966 7.6898 7.6898 9.3390 9.3390 9.4326 9.4326 9.7012 9.7012 10.1705 10.1705 10.2794 10.2794 10.4476 10.4476 11.0967 11.0967 13.9762 13.9762 14.7518 14.7518 15.4947 15.4947 15.8350 15.8350 k = 0.3136-0.5464-0.3304 ( 1767 PWs) bands (ev): -56.2366 -56.2366 -29.2284 -29.2284 -20.8609 -20.8609 -20.5226 -20.5226 -3.2585 -3.2585 -1.9699 -1.9699 5.4192 5.4192 6.2826 6.2826 6.7451 6.7451 7.6724 7.6724 9.3353 9.3353 9.4082 9.4082 9.6799 9.6799 10.1886 10.1886 10.2932 10.2932 10.4595 10.4595 11.1161 11.1161 14.0018 14.0018 14.7665 14.7665 15.4870 15.4870 15.7913 15.7913 k = 0.3220-0.5612-0.3393 ( 1759 PWs) bands (ev): -56.2356 -56.2356 -29.2320 -29.2320 -20.8755 -20.8755 -20.5236 -20.5236 -3.2261 -3.2261 -1.9621 -1.9621 5.3834 5.3834 6.3477 6.3477 6.7920 6.7920 7.6632 7.6632 9.3282 9.3282 9.3882 9.3882 9.6570 9.6570 10.2084 10.2084 10.3078 10.3078 10.4726 10.4726 11.1327 11.1327 14.0222 14.0222 14.7808 14.7808 15.4695 15.4695 15.7552 15.7552 k = 0.3305-0.5759-0.3483 ( 1759 PWs) bands (ev): -56.2347 -56.2347 -29.2357 -29.2357 -20.8897 -20.8897 -20.5246 -20.5246 -3.1994 -3.1994 -1.9481 -1.9481 5.3434 5.3434 6.4121 6.4121 6.8369 6.8369 7.6621 7.6621 9.3171 9.3171 9.3730 9.3730 9.6325 9.6325 10.2294 10.2294 10.3232 10.3232 10.4866 10.4866 11.1468 11.1468 14.0356 14.0356 14.7951 14.7951 15.4438 15.4438 15.7267 15.7267 k = 0.3390-0.5907-0.3572 ( 1758 PWs) bands (ev): -56.2338 -56.2338 -29.2392 -29.2392 -20.9036 -20.9036 -20.5255 -20.5255 -3.1785 -3.1785 -1.9281 -1.9281 5.2997 5.2997 6.4756 6.4756 6.8798 6.8798 7.6688 7.6688 9.3029 9.3029 9.3614 9.3614 9.6068 9.6068 10.2510 10.2510 10.3396 10.3396 10.5019 10.5019 11.1588 11.1588 14.0402 14.0402 14.8104 14.8104 15.4137 15.4137 15.7043 15.7043 k = 0.3475-0.6055-0.3661 ( 1758 PWs) bands (ev): -56.2329 -56.2329 -29.2426 -29.2426 -20.9170 -20.9170 -20.5263 -20.5263 -3.1631 -3.1631 -1.9026 -1.9026 5.2529 5.2529 6.5380 6.5380 6.9205 6.9205 7.6827 7.6827 9.2875 9.2875 9.3512 9.3512 9.5804 9.5804 10.2726 10.2726 10.3574 10.3574 10.5184 10.5184 11.1692 11.1692 14.0339 14.0339 14.8273 14.8273 15.3832 15.3832 15.6854 15.6854 k = 0.3559-0.6202-0.3751 ( 1761 PWs) bands (ev): -56.2321 -56.2321 -29.2459 -29.2459 -20.9299 -20.9299 -20.5271 -20.5271 -3.1525 -3.1525 -1.8724 -1.8724 5.2038 5.2038 6.5990 6.5990 6.9587 6.9587 7.7033 7.7033 9.2722 9.2722 9.3402 9.3402 9.5540 9.5540 10.2932 10.2932 10.3767 10.3767 10.5363 10.5363 11.1784 11.1784 14.0154 14.0154 14.8466 14.8466 15.3558 15.3558 15.6683 15.6683 k = 0.3644-0.6350-0.3840 ( 1761 PWs) bands (ev): -56.2313 -56.2313 -29.2490 -29.2490 -20.9422 -20.9422 -20.5277 -20.5277 -3.1463 -3.1463 -1.8383 -1.8383 5.1530 5.1530 6.6586 6.6586 6.9945 6.9945 7.7300 7.7300 9.2579 9.2579 9.3271 9.3271 9.5282 9.5282 10.3124 10.3124 10.3977 10.3977 10.5556 10.5556 11.1871 11.1871 13.9837 13.9837 14.8687 14.8687 15.3342 15.3342 15.6518 15.6518 k = 0.3729-0.6498-0.3929 ( 1759 PWs) bands (ev): -56.2305 -56.2305 -29.2520 -29.2520 -20.9540 -20.9540 -20.5283 -20.5283 -3.1436 -3.1436 -1.8012 -1.8012 5.1012 5.1012 6.7164 6.7164 7.0278 7.0278 7.7622 7.7622 9.2448 9.2448 9.3105 9.3105 9.5043 9.5043 10.3297 10.3297 10.4200 10.4200 10.5764 10.5764 11.1959 11.1959 13.9390 13.9390 14.8933 14.8933 15.3201 15.3201 15.6353 15.6353 k = 0.3814-0.6646-0.4019 ( 1760 PWs) bands (ev): -56.2298 -56.2298 -29.2549 -29.2549 -20.9652 -20.9652 -20.5288 -20.5288 -3.1440 -3.1440 -1.7619 -1.7619 5.0492 5.0492 6.7722 6.7722 7.0584 7.0584 7.7991 7.7991 9.2327 9.2327 9.2896 9.2896 9.4830 9.4830 10.3451 10.3451 10.4432 10.4432 10.5987 10.5987 11.2054 11.2054 13.8822 13.8822 14.9194 14.9194 15.3143 15.3143 15.6188 15.6188 k = 0.3898-0.6793-0.4108 ( 1757 PWs) bands (ev): -56.2291 -56.2291 -29.2575 -29.2575 -20.9757 -20.9757 -20.5292 -20.5292 -3.1467 -3.1467 -1.7214 -1.7214 4.9977 4.9977 6.8260 6.8260 7.0865 7.0865 7.8400 7.8400 9.2210 9.2210 9.2645 9.2645 9.4652 9.4652 10.3587 10.3587 10.4663 10.4663 10.6224 10.6224 11.2161 11.2161 13.8151 13.8151 14.9455 14.9455 15.3178 15.3178 15.6026 15.6026 k = 0.3983-0.6941-0.4197 ( 1759 PWs) bands (ev): -56.2284 -56.2284 -29.2601 -29.2601 -20.9856 -20.9856 -20.5296 -20.5296 -3.1511 -3.1511 -1.6806 -1.6806 4.9471 4.9471 6.8774 6.8774 7.1120 7.1120 7.8844 7.8844 9.2066 9.2066 9.2381 9.2381 9.4507 9.4507 10.3709 10.3709 10.4887 10.4887 10.6471 10.6471 11.2288 11.2288 13.7397 13.7397 14.9700 14.9700 15.3304 15.3304 15.5873 15.5873 k = 0.4068-0.7089-0.4287 ( 1760 PWs) bands (ev): -56.2278 -56.2278 -29.2625 -29.2625 -20.9948 -20.9948 -20.5300 -20.5300 -3.1567 -3.1567 -1.6402 -1.6402 4.8983 4.8983 6.9262 6.9262 7.1350 7.1350 7.9315 7.9315 9.1812 9.1812 9.2194 9.2194 9.4394 9.4394 10.3816 10.3816 10.5099 10.5099 10.6726 10.6726 11.2440 11.2440 13.6581 13.6581 14.9913 14.9913 15.3513 15.3513 15.5744 15.5744 k = 0.4153-0.7236-0.4376 ( 1756 PWs) bands (ev): -56.2272 -56.2272 -29.2646 -29.2646 -21.0032 -21.0032 -20.5303 -20.5303 -3.1631 -3.1631 -1.6010 -1.6010 4.8517 4.8517 6.9723 6.9723 7.1554 7.1554 7.9808 7.9808 9.1442 9.1442 9.2097 9.2097 9.4305 9.4305 10.3912 10.3912 10.5293 10.5293 10.6980 10.6980 11.2623 11.2623 13.5725 13.5725 15.0086 15.0086 15.3774 15.3774 15.5664 15.5664 k = 0.4237-0.7384-0.4465 ( 1760 PWs) bands (ev): -56.2268 -56.2268 -29.2666 -29.2666 -21.0109 -21.0109 -20.5306 -20.5306 -3.1698 -3.1698 -1.5635 -1.5635 4.8079 4.8079 7.0153 7.0153 7.1735 7.1735 8.0317 8.0317 9.1015 9.1015 9.2033 9.2033 9.4235 9.4235 10.3996 10.3996 10.5469 10.5469 10.7226 10.7226 11.2837 11.2837 13.4849 13.4849 15.0220 15.0220 15.4030 15.4030 15.5684 15.5684 k = 0.4322-0.7532-0.4554 ( 1758 PWs) bands (ev): -56.2263 -56.2263 -29.2684 -29.2684 -21.0179 -21.0179 -20.5308 -20.5308 -3.1765 -3.1765 -1.5284 -1.5284 4.7674 4.7674 7.0550 7.0550 7.1893 7.1893 8.0838 8.0838 9.0558 9.0558 9.1987 9.1987 9.4179 9.4179 10.4071 10.4071 10.5626 10.5626 10.7459 10.7459 11.3085 11.3085 13.3974 13.3974 15.0320 15.0320 15.4199 15.4199 15.5870 15.5870 k = 0.4407-0.7679-0.4644 ( 1758 PWs) bands (ev): -56.2259 -56.2259 -29.2700 -29.2700 -21.0240 -21.0240 -20.5310 -20.5310 -3.1830 -3.1830 -1.4962 -1.4962 4.7305 4.7305 7.0912 7.0912 7.2027 7.2027 8.1363 8.1363 9.0082 9.0082 9.1952 9.1952 9.4135 9.4135 10.4136 10.4136 10.5762 10.5762 10.7671 10.7671 11.3360 11.3360 13.3120 13.3120 15.0393 15.0393 15.4249 15.4249 15.6236 15.6236 k = 0.4492-0.7827-0.4733 ( 1761 PWs) bands (ev): -56.2255 -56.2255 -29.2714 -29.2714 -21.0294 -21.0294 -20.5312 -20.5312 -3.1891 -3.1891 -1.4673 -1.4673 4.6977 4.6977 7.1235 7.1235 7.2139 7.2139 8.1888 8.1888 8.9594 8.9594 9.1926 9.1926 9.4099 9.4099 10.4191 10.4191 10.5879 10.5879 10.7858 10.7858 11.3655 11.3655 13.2308 13.2308 15.0445 15.0445 15.4219 15.4219 15.6725 15.6725 k = 0.4576-0.7975-0.4822 ( 1763 PWs) bands (ev): -56.2252 -56.2252 -29.2726 -29.2726 -21.0340 -21.0340 -20.5313 -20.5313 -3.1945 -3.1945 -1.4422 -1.4422 4.6693 4.6693 7.1518 7.1518 7.2229 7.2229 8.2404 8.2404 8.9107 8.9107 9.1906 9.1906 9.4071 9.4071 10.4238 10.4238 10.5975 10.5975 10.8018 10.8018 11.3958 11.3958 13.1559 13.1559 15.0482 15.0482 15.4155 15.4155 15.7271 15.7271 k = 0.4661-0.8122-0.4912 ( 1768 PWs) bands (ev): -56.2250 -56.2250 -29.2736 -29.2736 -21.0378 -21.0378 -20.5314 -20.5314 -3.1991 -3.1991 -1.4213 -1.4213 4.6457 4.6457 7.1758 7.1758 7.2296 7.2296 8.2902 8.2902 8.8631 8.8631 9.1891 9.1891 9.4049 9.4049 10.4275 10.4275 10.6053 10.6053 10.8148 10.8148 11.4249 11.4249 13.0898 13.0898 15.0507 15.0507 15.4084 15.4084 15.7819 15.7819 k = 0.4746-0.8270-0.5001 ( 1770 PWs) bands (ev): -56.2248 -56.2248 -29.2744 -29.2744 -21.0407 -21.0407 -20.5316 -20.5316 -3.2028 -3.2028 -1.4046 -1.4046 4.6271 4.6271 7.1956 7.1956 7.2340 7.2340 8.3363 8.3363 8.8186 8.8186 9.1880 9.1880 9.4032 9.4032 10.4304 10.4304 10.6113 10.6113 10.8250 10.8250 11.4508 11.4508 13.0349 13.0349 15.0524 15.0524 15.4020 15.4020 15.8325 15.8325 k = 0.4831-0.8418-0.5090 ( 1770 PWs) bands (ev): -56.2247 -56.2247 -29.2750 -29.2750 -21.0428 -21.0428 -20.5316 -20.5316 -3.2055 -3.2055 -1.3926 -1.3926 4.6136 4.6136 7.2110 7.2110 7.2360 7.2360 8.3758 8.3758 8.7801 8.7801 9.1873 9.1873 9.4020 9.4020 10.4325 10.4325 10.6155 10.6155 10.8322 10.8322 11.4715 11.4715 12.9934 12.9934 15.0534 15.0534 15.3971 15.3971 15.8741 15.8741 k = 0.4915-0.8565-0.5180 ( 1772 PWs) bands (ev): -56.2246 -56.2246 -29.2753 -29.2753 -21.0441 -21.0441 -20.5317 -20.5317 -3.2071 -3.2071 -1.3853 -1.3853 4.6055 4.6055 7.2221 7.2221 7.2354 7.2354 8.4039 8.4039 8.7526 8.7526 9.1869 9.1869 9.4013 9.4013 10.4338 10.4338 10.6180 10.6180 10.8365 10.8365 11.4848 11.4848 12.9675 12.9675 15.0540 15.0540 15.3940 15.3940 15.9017 15.9017 k = 0.5000-0.8713-0.5269 ( 1772 PWs) bands (ev): -56.2246 -56.2246 -29.2754 -29.2754 -21.0445 -21.0445 -20.5317 -20.5317 -3.2077 -3.2077 -1.3829 -1.3829 4.6028 4.6028 7.2273 7.2273 7.2336 7.2336 8.4143 8.4143 8.7424 8.7424 9.1868 9.1868 9.4011 9.4011 10.4342 10.4342 10.6188 10.6188 10.8379 10.8379 11.4895 11.4895 12.9587 12.9587 15.0542 15.0542 15.3929 15.3929 15.9114 15.9114 k = 0.5000-0.8713-0.5269 ( 1772 PWs) bands (ev): -56.2246 -56.2246 -29.2754 -29.2754 -21.0445 -21.0445 -20.5317 -20.5317 -3.2077 -3.2077 -1.3829 -1.3829 4.6028 4.6028 7.2273 7.2273 7.2336 7.2336 8.4143 8.4143 8.7424 8.7424 9.1868 9.1868 9.4011 9.4011 10.4342 10.4342 10.6188 10.6188 10.8379 10.8379 11.4895 11.4895 12.9587 12.9587 15.0542 15.0542 15.3929 15.3929 15.9114 15.9114 k = 0.5000-0.8614-0.5433 ( 1768 PWs) bands (ev): -56.2246 -56.2246 -29.2754 -29.2754 -21.0444 -21.0444 -20.5320 -20.5320 -3.2062 -3.2062 -1.3840 -1.3840 4.6047 4.6047 7.2005 7.2005 7.2595 7.2595 8.4132 8.4132 8.7440 8.7440 9.1856 9.1856 9.4018 9.4018 10.4335 10.4335 10.6183 10.6183 10.8367 10.8367 11.4895 11.4895 12.9588 12.9588 15.0573 15.0573 15.3925 15.3925 15.9115 15.9115 k = 0.5000-0.8514-0.5597 ( 1766 PWs) bands (ev): -56.2245 -56.2245 -29.2755 -29.2755 -21.0441 -21.0441 -20.5329 -20.5329 -3.2018 -3.2018 -1.3874 -1.3874 4.6103 4.6103 7.1698 7.1698 7.2870 7.2870 8.4097 8.4097 8.7489 8.7489 9.1818 9.1818 9.4038 9.4038 10.4315 10.4315 10.6168 10.6168 10.8332 10.8332 11.4894 11.4894 12.9591 12.9591 15.0663 15.0663 15.3912 15.3912 15.9117 15.9117 k = 0.5000-0.8415-0.5761 ( 1766 PWs) bands (ev): -56.2245 -56.2245 -29.2757 -29.2757 -21.0436 -21.0436 -20.5344 -20.5344 -3.1945 -3.1945 -1.3931 -1.3931 4.6196 4.6196 7.1382 7.1382 7.3135 7.3135 8.4037 8.4037 8.7569 8.7569 9.1755 9.1755 9.4072 9.4072 10.4282 10.4282 10.6141 10.6141 10.8277 10.8277 11.4894 11.4894 12.9594 12.9594 15.0809 15.0809 15.3895 15.3895 15.9123 15.9123 k = 0.5000-0.8316-0.5926 ( 1766 PWs) bands (ev): -56.2244 -56.2244 -29.2759 -29.2759 -21.0429 -21.0429 -20.5366 -20.5366 -3.1844 -3.1844 -1.4010 -1.4010 4.6327 4.6327 7.1058 7.1058 7.3387 7.3387 8.3950 8.3950 8.7678 8.7678 9.1670 9.1670 9.4120 9.4120 10.4235 10.4235 10.6100 10.6100 10.8207 10.8207 11.4893 11.4893 12.9599 12.9599 15.0999 15.0999 15.3882 15.3882 15.9132 15.9132 k = 0.5000-0.8217-0.6090 ( 1770 PWs) bands (ev): -56.2243 -56.2243 -29.2762 -29.2762 -21.0420 -21.0420 -20.5393 -20.5393 -3.1715 -3.1715 -1.4111 -1.4111 4.6495 4.6495 7.0728 7.0728 7.3627 7.3627 8.3833 8.3833 8.7813 8.7813 9.1564 9.1564 9.4182 9.4182 10.4174 10.4174 10.6042 10.6042 10.8131 10.8131 11.4893 11.4893 12.9603 12.9603 15.1220 15.1220 15.3885 15.3885 15.9148 15.9148 k = 0.5000-0.8117-0.6254 ( 1770 PWs) bands (ev): -56.2242 -56.2242 -29.2765 -29.2765 -21.0410 -21.0410 -20.5426 -20.5426 -3.1557 -3.1557 -1.4233 -1.4233 4.6700 4.6700 7.0394 7.0394 7.3856 7.3856 8.3683 8.3683 8.7972 8.7972 9.1444 9.1444 9.4261 9.4261 10.4100 10.4100 10.5963 10.5963 10.8056 10.8056 11.4892 11.4892 12.9607 12.9607 15.1449 15.1449 15.3924 15.3924 15.9173 15.9173 k = 0.5000-0.8018-0.6418 ( 1768 PWs) bands (ev): -56.2241 -56.2241 -29.2769 -29.2769 -21.0397 -21.0397 -20.5465 -20.5465 -3.1373 -3.1373 -1.4375 -1.4375 4.6943 4.6943 7.0057 7.0057 7.4072 7.4072 8.3495 8.3495 8.8151 8.8151 9.1312 9.1312 9.4356 9.4356 10.4012 10.4012 10.5862 10.5862 10.7991 10.7991 11.4890 11.4890 12.9608 12.9608 15.1661 15.1661 15.4022 15.4022 15.9209 15.9209 k = 0.5000-0.7919-0.6582 ( 1766 PWs) bands (ev): -56.2240 -56.2240 -29.2773 -29.2773 -21.0383 -21.0383 -20.5508 -20.5508 -3.1164 -3.1164 -1.4537 -1.4537 4.7221 4.7221 6.9718 6.9718 7.4279 7.4279 8.3265 8.3265 8.8345 8.8345 9.1174 9.1174 9.4467 9.4467 10.3911 10.3911 10.5738 10.5738 10.7941 10.7941 11.4888 11.4888 12.9606 12.9606 15.1827 15.1827 15.4202 15.4202 15.9260 15.9260 k = 0.5000-0.7819-0.6746 ( 1766 PWs) bands (ev): -56.2238 -56.2238 -29.2778 -29.2778 -21.0367 -21.0367 -20.5556 -20.5556 -3.0929 -3.0929 -1.4719 -1.4719 4.7536 4.7536 6.9379 6.9379 7.4475 7.4475 8.2987 8.2987 8.8551 8.8551 9.1037 9.1037 9.4594 9.4594 10.3797 10.3797 10.5591 10.5591 10.7910 10.7910 11.4885 11.4885 12.9599 12.9599 15.1931 15.1931 15.4477 15.4477 15.9329 15.9329 k = 0.5000-0.7720-0.6911 ( 1764 PWs) bands (ev): -56.2237 -56.2237 -29.2783 -29.2783 -21.0350 -21.0350 -20.5608 -20.5608 -3.0670 -3.0670 -1.4918 -1.4918 4.7887 4.7887 6.9039 6.9039 7.4663 7.4663 8.2657 8.2657 8.8765 8.8765 9.0907 9.0907 9.4737 9.4737 10.3670 10.3670 10.5426 10.5426 10.7899 10.7899 11.4881 11.4881 12.9586 12.9586 15.1977 15.1977 15.4840 15.4840 15.9419 15.9419 k = 0.5000-0.7621-0.7075 ( 1756 PWs) bands (ev): -56.2235 -56.2235 -29.2788 -29.2788 -21.0332 -21.0332 -20.5664 -20.5664 -3.0389 -3.0389 -1.5134 -1.5134 4.8274 4.8274 6.8700 6.8700 7.4843 7.4843 8.2272 8.2272 8.8983 8.8983 9.0791 9.0791 9.4898 9.4898 10.3531 10.3531 10.5247 10.5247 10.7908 10.7908 11.4874 11.4874 12.9567 12.9567 15.1983 15.1983 15.5268 15.5268 15.9534 15.9534 k = 0.5000-0.7522-0.7239 ( 1752 PWs) bands (ev): -56.2233 -56.2233 -29.2794 -29.2794 -21.0312 -21.0312 -20.5723 -20.5723 -3.0087 -3.0087 -1.5366 -1.5366 4.8695 4.8695 6.8364 6.8364 7.5016 7.5016 8.1831 8.1831 8.9198 8.9198 9.0695 9.0695 9.5071 9.5071 10.3381 10.3381 10.5059 10.5059 10.7935 10.7935 11.4865 11.4865 12.9541 12.9541 15.1965 15.1965 15.5740 15.5740 15.9676 15.9676 k = 0.5000-0.7422-0.7403 ( 1752 PWs) bands (ev): -56.2231 -56.2231 -29.2801 -29.2801 -21.0292 -21.0292 -20.5786 -20.5786 -2.9765 -2.9765 -1.5613 -1.5613 4.9151 4.9151 6.8029 6.8029 7.5184 7.5184 8.1332 8.1332 8.9405 8.9405 9.0624 9.0624 9.5258 9.5258 10.3221 10.3221 10.4866 10.4866 10.7976 10.7976 11.4852 11.4852 12.9506 12.9506 15.1940 15.1940 15.6237 15.6237 15.9849 15.9849 k = 0.5000-0.7323-0.7567 ( 1750 PWs) bands (ev): -56.2228 -56.2228 -29.2807 -29.2807 -21.0271 -21.0271 -20.5851 -20.5851 -2.9425 -2.9425 -1.5873 -1.5873 4.9641 4.9641 6.7698 6.7698 7.5348 7.5348 8.0777 8.0777 8.9598 8.9598 9.0586 9.0586 9.5458 9.5458 10.3051 10.3051 10.4671 10.4671 10.8031 10.8031 11.4835 11.4835 12.9463 12.9463 15.1918 15.1918 15.6743 15.6743 16.0054 16.0054 k = 0.5000-0.7224-0.7732 ( 1754 PWs) bands (ev): -56.2226 -56.2226 -29.2815 -29.2815 -21.0249 -21.0249 -20.5918 -20.5918 -2.9069 -2.9069 -1.6144 -1.6144 5.0164 5.0164 6.7370 6.7370 7.5507 7.5507 8.0170 8.0170 8.9765 8.9765 9.0590 9.0590 9.5668 9.5668 10.2873 10.2873 10.4477 10.4477 10.8097 10.8097 11.4812 11.4812 12.9411 12.9411 15.1909 15.1909 15.7249 15.7249 16.0292 16.0292 k = 0.5000-0.7124-0.7896 ( 1750 PWs) bands (ev): -56.2224 -56.2224 -29.2822 -29.2822 -21.0227 -21.0227 -20.5986 -20.5986 -2.8699 -2.8699 -1.6426 -1.6426 5.0719 5.0719 6.7047 6.7047 7.5662 7.5662 7.9518 7.9518 8.9896 8.9896 9.0643 9.0643 9.5887 9.5887 10.2689 10.2689 10.4286 10.4286 10.8172 10.8172 11.4783 11.4783 12.9350 12.9350 15.1920 15.1920 15.7747 15.7747 16.0562 16.0562 k = 0.5000-0.7025-0.8060 ( 1752 PWs) bands (ev): -56.2222 -56.2222 -29.2829 -29.2829 -21.0205 -21.0205 -20.6055 -20.6055 -2.8316 -2.8316 -1.6717 -1.6717 5.1306 5.1306 6.6727 6.6727 7.5811 7.5811 7.8827 7.8827 8.9990 8.9990 9.0745 9.0745 9.6113 9.6113 10.2501 10.2501 10.4099 10.4099 10.8255 10.8255 11.4745 11.4745 12.9282 12.9282 15.1956 15.1956 15.8234 15.8234 16.0859 16.0859 k = 0.5000-0.6926-0.8224 ( 1754 PWs) bands (ev): -56.2220 -56.2220 -29.2837 -29.2837 -21.0183 -21.0183 -20.6124 -20.6124 -2.7924 -2.7924 -1.7014 -1.7014 5.1922 5.1922 6.6413 6.6413 7.5945 7.5945 7.8112 7.8112 9.0055 9.0055 9.0884 9.0884 9.6343 9.6343 10.2311 10.2311 10.3917 10.3917 10.8343 10.8343 11.4698 11.4698 12.9207 12.9207 15.2021 15.2021 15.8709 15.8709 16.1177 16.1177 k = 0.5000-0.6827-0.8388 ( 1754 PWs) bands (ev): -56.2218 -56.2218 -29.2844 -29.2844 -21.0162 -21.0162 -20.6193 -20.6193 -2.7524 -2.7524 -1.7317 -1.7317 5.2566 5.2566 6.6104 6.6104 7.6035 7.6035 7.7412 7.7412 9.0103 9.0103 9.1045 9.1045 9.6575 9.6575 10.2119 10.2119 10.3739 10.3739 10.8437 10.8437 11.4641 11.4641 12.9127 12.9127 15.2120 15.2120 15.9176 15.9176 16.1508 16.1508 k = 0.5000-0.6727-0.8553 ( 1756 PWs) bands (ev): -56.2215 -56.2215 -29.2852 -29.2852 -21.0141 -21.0141 -20.6260 -20.6260 -2.7120 -2.7120 -1.7622 -1.7622 5.3238 5.3238 6.5800 6.5800 7.5934 7.5934 7.6879 7.6879 9.0143 9.0143 9.1217 9.1217 9.6806 9.6806 10.1928 10.1928 10.3565 10.3565 10.8535 10.8535 11.4571 11.4571 12.9044 12.9044 15.2255 15.2255 15.9638 15.9638 16.1843 16.1843 k = 0.5000-0.6628-0.8717 ( 1754 PWs) bands (ev): -56.2213 -56.2213 -29.2859 -29.2859 -21.0121 -21.0121 -20.6325 -20.6325 -2.6714 -2.6714 -1.7929 -1.7929 5.3934 5.3934 6.5502 6.5502 7.5400 7.5400 7.6761 7.6761 9.0180 9.0180 9.1391 9.1391 9.7035 9.7035 10.1740 10.1740 10.3397 10.3397 10.8636 10.8636 11.4487 11.4487 12.8959 12.8959 15.2428 15.2428 16.0097 16.0097 16.2174 16.2174 k = 0.5000-0.6529-0.8881 ( 1754 PWs) bands (ev): -56.2211 -56.2211 -29.2867 -29.2867 -21.0102 -21.0102 -20.6388 -20.6388 -2.6309 -2.6309 -1.8235 -1.8235 5.4652 5.4652 6.5213 6.5213 7.4643 7.4643 7.6857 7.6857 9.0212 9.0212 9.1566 9.1566 9.7258 9.7258 10.1556 10.1556 10.3233 10.3233 10.8740 10.8740 11.4389 11.4389 12.8875 12.8875 15.2641 15.2641 16.0555 16.0555 16.2494 16.2494 k = 0.5000-0.6430-0.9045 ( 1752 PWs) bands (ev): -56.2209 -56.2209 -29.2874 -29.2874 -21.0084 -21.0084 -20.6448 -20.6448 -2.5908 -2.5908 -1.8537 -1.8537 5.5388 5.5388 6.4932 6.4932 7.3826 7.3826 7.7007 7.7007 9.0239 9.0239 9.1738 9.1738 9.7472 9.7472 10.1379 10.1379 10.3075 10.3075 10.8847 10.8847 11.4274 11.4274 12.8795 12.8795 15.2895 15.2895 16.1008 16.1008 16.2804 16.2804 k = 0.5000-0.6330-0.9209 ( 1750 PWs) bands (ev): -56.2207 -56.2207 -29.2881 -29.2881 -21.0068 -21.0068 -20.6504 -20.6504 -2.5518 -2.5518 -1.8831 -1.8831 5.6139 5.6139 6.4663 6.4663 7.2989 7.2989 7.7180 7.7180 9.0258 9.0258 9.1908 9.1908 9.7675 9.7675 10.1210 10.1210 10.2921 10.2921 10.8956 10.8956 11.4143 11.4143 12.8722 12.8722 15.3190 15.3190 16.1445 16.1445 16.3108 16.3108 k = 0.5000-0.6231-0.9373 ( 1752 PWs) bands (ev): -56.2205 -56.2205 -29.2887 -29.2887 -21.0054 -21.0054 -20.6556 -20.6556 -2.5141 -2.5141 -1.9115 -1.9115 5.6898 5.6898 6.4408 6.4408 7.2147 7.2147 7.7364 7.7364 9.0267 9.0267 9.2073 9.2073 9.7863 9.7863 10.1055 10.1055 10.2773 10.2773 10.9068 10.9068 11.3994 11.3994 12.8659 12.8659 15.3524 15.3524 16.1846 16.1846 16.3425 16.3425 k = 0.5000-0.6132-0.9538 ( 1752 PWs) bands (ev): -56.2203 -56.2203 -29.2893 -29.2893 -21.0042 -21.0042 -20.6603 -20.6603 -2.4783 -2.4783 -1.9383 -1.9383 5.7657 5.7657 6.4176 6.4176 7.1308 7.1308 7.7557 7.7557 9.0263 9.0263 9.2235 9.2235 9.8032 9.8032 10.0916 10.0916 10.2630 10.2630 10.9182 10.9182 11.3829 11.3829 12.8610 12.8610 15.3898 15.3898 16.2179 16.2179 16.3781 16.3781 k = 0.5000-0.6032-0.9702 ( 1746 PWs) bands (ev): -56.2201 -56.2201 -29.2898 -29.2898 -21.0031 -21.0031 -20.6645 -20.6645 -2.4453 -2.4453 -1.9629 -1.9629 5.8402 5.8402 6.3976 6.3976 7.0479 7.0479 7.7757 7.7757 9.0243 9.0243 9.2392 9.2392 9.8179 9.8179 10.0799 10.0799 10.2493 10.2493 10.9298 10.9298 11.3646 11.3646 12.8579 12.8579 15.4309 15.4309 16.2415 16.2415 16.4202 16.4202 k = 0.5000-0.5933-0.9866 ( 1746 PWs) bands (ev): -56.2200 -56.2200 -29.2903 -29.2903 -21.0023 -21.0023 -20.6681 -20.6681 -2.4159 -2.4159 -1.9846 -1.9846 5.9110 5.9110 6.3827 6.3827 6.9665 6.9665 7.7963 7.7963 9.0203 9.0203 9.2545 9.2545 9.8297 9.8297 10.0708 10.0708 10.2362 10.2362 10.9417 10.9417 11.3448 11.3448 12.8567 12.8567 15.4754 15.4754 16.2543 16.2543 16.4689 16.4689 k = 0.5000-0.5834-1.0030 ( 1752 PWs) bands (ev): -56.2199 -56.2199 -29.2908 -29.2908 -21.0017 -21.0017 -20.6712 -20.6712 -2.3910 -2.3910 -2.0026 -2.0026 5.9746 5.9746 6.3761 6.3761 6.8873 6.8873 7.8176 7.8176 9.0139 9.0139 9.2692 9.2692 9.8383 9.8383 10.0648 10.0648 10.2239 10.2239 10.9537 10.9537 11.3234 11.3234 12.8580 12.8580 15.5228 15.5228 16.2571 16.2571 16.5212 16.5212 k = 0.5000-0.5735-1.0194 ( 1752 PWs) bands (ev): -56.2198 -56.2198 -29.2912 -29.2912 -21.0012 -21.0012 -20.6737 -20.6737 -2.3717 -2.3717 -2.0158 -2.0158 6.0256 6.0256 6.3826 6.3826 6.8110 6.8110 7.8393 7.8393 9.0050 9.0050 9.2833 9.2833 9.8437 9.8437 10.0621 10.0621 10.2123 10.2123 10.9660 10.9660 11.3009 11.3009 12.8619 12.8619 15.5728 15.5728 16.2512 16.2512 16.5603 16.5603 k = 0.5000-0.5635-1.0359 ( 1752 PWs) bands (ev): -56.2197 -56.2197 -29.2915 -29.2915 -21.0009 -21.0009 -20.6756 -20.6756 -2.3590 -2.3590 -2.0235 -2.0235 6.0585 6.0585 6.4066 6.4066 6.7385 6.7385 7.8616 7.8616 8.9932 8.9932 9.2970 9.2970 9.8461 9.8461 10.0627 10.0627 10.2016 10.2016 10.9782 10.9782 11.2774 11.2774 12.8689 12.8689 15.6244 15.6244 16.2374 16.2374 16.5047 16.5047 k = 0.5000-0.5536-1.0523 ( 1754 PWs) bands (ev): -56.2196 -56.2196 -29.2917 -29.2917 -21.0007 -21.0007 -20.6769 -20.6769 -2.3532 -2.3532 -2.0255 -2.0255 6.0722 6.0722 6.4469 6.4469 6.6726 6.6726 7.8842 7.8842 8.9782 8.9782 9.3100 9.3100 9.8458 9.8458 10.0660 10.0660 10.1918 10.1918 10.9902 10.9902 11.2536 11.2536 12.8792 12.8792 15.6764 15.6764 16.2159 16.2159 16.3890 16.3890 k = 0.5000-0.5437-1.0687 ( 1754 PWs) bands (ev): -56.2196 -56.2196 -29.2918 -29.2918 -21.0007 -21.0007 -20.6776 -20.6776 -2.3540 -2.3540 -2.0223 -2.0223 6.0708 6.0708 6.4884 6.4884 6.6239 6.6239 7.9073 7.9073 8.9599 8.9599 9.3224 9.3224 9.8436 9.8436 10.0715 10.0715 10.1831 10.1831 11.0015 11.0015 11.2301 11.2301 12.8931 12.8931 15.7265 15.7265 16.1832 16.1832 16.2704 16.2704 k = 0.5000-0.5337-1.0851 ( 1756 PWs) bands (ev): -56.2196 -56.2196 -29.2918 -29.2918 -21.0007 -21.0007 -20.6778 -20.6778 -2.3603 -2.3603 -2.0150 -2.0150 6.0596 6.0596 6.4867 6.4867 6.6314 6.6314 7.9306 7.9306 8.9381 8.9381 9.3341 9.3341 9.8403 9.8403 10.0783 10.0783 10.1758 10.1758 11.0110 11.0110 11.2081 11.2081 12.9108 12.9108 15.7683 15.7683 16.1146 16.1146 16.1869 16.1869 k = 0.5000-0.5238-1.1015 ( 1756 PWs) bands (ev): -56.2196 -56.2196 -29.2918 -29.2918 -21.0007 -21.0007 -20.6773 -20.6773 -2.3707 -2.3707 -2.0053 -2.0053 6.0426 6.0426 6.4421 6.4421 6.6905 6.6905 7.9542 7.9542 8.9127 8.9127 9.3451 9.3451 9.8364 9.8364 10.0856 10.0856 10.1700 10.1700 11.0172 11.0172 11.1895 11.1895 12.9325 12.9325 15.7818 15.7818 16.0264 16.0264 16.1447 16.1447 k = 0.5000-0.5139-1.1179 ( 1752 PWs) bands (ev): -56.2197 -56.2197 -29.2916 -29.2916 -21.0006 -21.0006 -20.6764 -20.6764 -2.3839 -2.3839 -1.9946 -1.9946 6.0224 6.0224 6.3899 6.3899 6.7636 6.7636 7.9780 7.9780 8.8839 8.8839 9.3554 9.3554 9.8325 9.8325 10.0928 10.0928 10.1662 10.1662 11.0176 11.0176 11.1770 11.1770 12.9584 12.9584 15.7271 15.7271 15.9896 15.9896 16.1137 16.1137 k = 0.5000-0.5040-1.1344 ( 1750 PWs) bands (ev): -56.2197 -56.2197 -29.2912 -29.2912 -21.0005 -21.0005 -20.6749 -20.6749 -2.3986 -2.3986 -1.9840 -1.9840 6.0005 6.0005 6.3386 6.3386 6.8403 6.8403 8.0020 8.0020 8.8518 8.8518 9.3649 9.3649 9.8287 9.8287 10.0992 10.0992 10.1645 10.1645 11.0103 11.0103 11.1727 11.1727 12.9886 12.9886 15.6157 15.6157 15.9834 15.9834 16.1039 16.1039 k = 0.8172-0.4194-0.9732 ( 1750 PWs) bands (ev): -56.2197 -56.2197 -29.2912 -29.2912 -21.0005 -21.0005 -20.6749 -20.6749 -2.3986 -2.3986 -1.9840 -1.9840 6.0005 6.0005 6.3386 6.3386 6.8403 6.8403 8.0020 8.0020 8.8518 8.8518 9.3649 9.3649 9.8287 9.8287 10.0992 10.0992 10.1645 10.1645 11.0103 11.0103 11.1727 11.1727 12.9886 12.9886 15.6157 15.6157 15.9834 15.9834 16.1039 16.1039 k = 0.8122-0.4108-0.9567 ( 1746 PWs) bands (ev): -56.2199 -56.2199 -29.2908 -29.2908 -21.0002 -21.0002 -20.6730 -20.6730 -2.4142 -2.4142 -1.9747 -1.9747 5.9777 5.9777 6.2899 6.2899 6.9175 6.9175 8.0261 8.0261 8.8163 8.8163 9.3737 9.3737 9.8252 9.8252 10.1043 10.1043 10.1652 10.1652 10.9950 10.9950 11.1772 11.1772 13.0234 13.0234 15.4843 15.4843 15.9574 15.9574 16.1294 16.1294 k = 0.8073-0.4021-0.9402 ( 1746 PWs) bands (ev): -56.2200 -56.2200 -29.2902 -29.2902 -20.9998 -20.9998 -20.6707 -20.6707 -2.4299 -2.4299 -1.9673 -1.9673 5.9549 5.9549 6.2447 6.2447 6.9934 6.9934 8.0503 8.0503 8.7780 8.7780 9.3815 9.3815 9.8220 9.8220 10.1081 10.1081 10.1684 10.1684 10.9736 10.9736 11.1885 11.1885 13.0626 13.0626 15.3468 15.3468 15.9143 15.9143 16.1748 16.1748 k = 0.8023-0.3935-0.9238 ( 1746 PWs) bands (ev): -56.2202 -56.2202 -29.2896 -29.2896 -20.9991 -20.9991 -20.6680 -20.6680 -2.4452 -2.4452 -1.9625 -1.9625 5.9325 5.9325 6.2032 6.2032 7.0668 7.0668 8.0744 8.0744 8.7372 8.7372 9.3886 9.3886 9.8191 9.8191 10.1110 10.1110 10.1735 10.1735 10.9485 10.9485 11.2046 11.2046 13.1064 13.1064 15.2075 15.2075 15.8637 15.8637 16.2266 16.2266 k = 0.7973-0.3849-0.9073 ( 1746 PWs) bands (ev): -56.2204 -56.2204 -29.2888 -29.2888 -20.9982 -20.9982 -20.6649 -20.6649 -2.4599 -2.4599 -1.9606 -1.9606 5.9109 5.9109 6.1654 6.1654 7.1369 7.1369 8.0984 8.0984 8.6943 8.6943 9.3947 9.3947 9.8164 9.8164 10.1136 10.1136 10.1799 10.1799 10.9214 10.9214 11.2237 11.2237 13.1547 13.1547 15.0681 15.0681 15.8095 15.8095 16.2798 16.2798 k = 0.7924-0.3762-0.8909 ( 1744 PWs) bands (ev): -56.2207 -56.2207 -29.2878 -29.2878 -20.9969 -20.9969 -20.6616 -20.6616 -2.4737 -2.4737 -1.9619 -1.9619 5.8905 5.8905 6.1315 6.1315 7.2028 7.2028 8.1223 8.1223 8.6499 8.6499 9.4000 9.4000 9.8136 9.8136 10.1162 10.1162 10.1874 10.1874 10.8932 10.8932 11.2450 11.2450 13.2075 13.2075 14.9298 14.9298 15.7533 15.7533 16.3323 16.3323 k = 0.7874-0.3676-0.8744 ( 1744 PWs) bands (ev): -56.2210 -56.2210 -29.2867 -29.2867 -20.9952 -20.9952 -20.6580 -20.6580 -2.4863 -2.4863 -1.9667 -1.9667 5.8712 5.8712 6.1014 6.1014 7.2637 7.2637 8.1459 8.1459 8.6045 8.6045 9.4043 9.4043 9.8108 9.8108 10.1193 10.1193 10.1953 10.1953 10.8647 10.8647 11.2675 11.2675 13.2648 13.2648 14.7933 14.7933 15.6962 15.6962 16.3829 16.3829 k = 0.7825-0.3590-0.8579 ( 1746 PWs) bands (ev): -56.2213 -56.2213 -29.2855 -29.2855 -20.9932 -20.9932 -20.6541 -20.6541 -2.4976 -2.4976 -1.9752 -1.9752 5.8531 5.8531 6.0754 6.0754 7.3188 7.3188 8.1690 8.1690 8.5590 8.5590 9.4077 9.4077 9.8078 9.8078 10.1229 10.1229 10.2037 10.2037 10.8363 10.8363 11.2908 11.2908 13.3262 13.3262 14.6592 14.6592 15.6391 15.6391 16.4308 16.4308 k = 0.7775-0.3503-0.8415 ( 1742 PWs) bands (ev): -56.2217 -56.2217 -29.2840 -29.2840 -20.9906 -20.9906 -20.6500 -20.6500 -2.5075 -2.5075 -1.9873 -1.9873 5.8359 5.8359 6.0538 6.0538 7.3675 7.3675 8.1912 8.1912 8.5144 8.5144 9.4102 9.4102 9.8045 9.8045 10.1271 10.1271 10.2124 10.2124 10.8084 10.8084 11.3142 11.3142 13.3918 13.3918 14.5281 14.5281 15.5826 15.5826 16.4754 16.4754 k = 0.7726-0.3417-0.8250 ( 1740 PWs) bands (ev): -56.2221 -56.2221 -29.2825 -29.2825 -20.9876 -20.9876 -20.6458 -20.6458 -2.5161 -2.5161 -2.0033 -2.0033 5.8190 5.8190 6.0372 6.0372 7.4089 7.4089 8.2118 8.2118 8.4719 8.4719 9.4118 9.4118 9.8010 9.8010 10.1317 10.1317 10.2215 10.2215 10.7812 10.7812 11.3373 11.3373 13.4612 13.4612 14.4005 14.4005 15.5274 15.5274 16.5162 16.5162 k = 0.7676-0.3331-0.8085 ( 1744 PWs) bands (ev): -56.2226 -56.2226 -29.2808 -29.2808 -20.9841 -20.9841 -20.6415 -20.6415 -2.5232 -2.5232 -2.0230 -2.0230 5.8021 5.8021 6.0259 6.0259 7.4423 7.4423 8.2297 8.2297 8.4336 8.4336 9.4124 9.4124 9.7971 9.7971 10.1365 10.1365 10.2308 10.2308 10.7548 10.7548 11.3594 11.3594 13.5341 13.5341 14.2772 14.2772 15.4743 15.4743 16.5529 16.5529 k = 0.7627-0.3244-0.7921 ( 1746 PWs) bands (ev): -56.2231 -56.2231 -29.2790 -29.2790 -20.9800 -20.9800 -20.6370 -20.6370 -2.5288 -2.5288 -2.0463 -2.0463 5.7846 5.7846 6.0205 6.0205 7.4671 7.4671 8.2420 8.2420 8.4028 8.4028 9.4121 9.4121 9.7930 9.7930 10.1415 10.1415 10.2404 10.2404 10.7294 10.7294 11.3799 11.3799 13.6099 13.6099 14.1587 14.1587 15.4239 15.4239 16.5852 16.5852 k = 0.7577-0.3158-0.7756 ( 1746 PWs) bands (ev): -56.2236 -56.2236 -29.2770 -29.2770 -20.9754 -20.9754 -20.6324 -20.6324 -2.5331 -2.5331 -2.0731 -2.0731 5.7662 5.7662 6.0211 6.0211 7.4827 7.4827 8.2446 8.2446 8.3846 8.3846 9.4109 9.4109 9.7886 9.7886 10.1463 10.1463 10.2505 10.2505 10.7051 10.7051 11.3980 11.3980 13.6877 13.6877 14.0465 14.0465 15.3767 15.3767 16.6130 16.6130 k = 0.7527-0.3072-0.7591 ( 1746 PWs) bands (ev): -56.2242 -56.2242 -29.2748 -29.2748 -20.9702 -20.9702 -20.6278 -20.6278 -2.5362 -2.5362 -2.1032 -2.1032 5.7467 5.7467 6.0277 6.0277 7.4887 7.4887 8.2350 8.2350 8.3820 8.3820 9.4088 9.4088 9.7842 9.7842 10.1508 10.1508 10.2608 10.2608 10.6821 10.6821 11.4129 11.4129 13.7646 13.7646 13.9436 13.9436 15.3334 15.3334 16.6361 16.6361 k = 0.7478-0.2985-0.7427 ( 1748 PWs) bands (ev): -56.2248 -56.2248 -29.2725 -29.2725 -20.9645 -20.9645 -20.6232 -20.6232 -2.5383 -2.5383 -2.1361 -2.1361 5.7262 5.7262 6.0401 6.0401 7.4848 7.4848 8.2169 8.2169 8.3916 8.3916 9.4058 9.4058 9.7797 9.7797 10.1549 10.1549 10.2713 10.2713 10.6603 10.6603 11.4238 11.4238 13.8038 13.8038 13.8869 13.8869 15.2947 15.2947 16.6544 16.6544 k = 0.7428-0.2899-0.7262 ( 1750 PWs) bands (ev): -56.2254 -56.2254 -29.2701 -29.2701 -20.9581 -20.9581 -20.6185 -20.6185 -2.5399 -2.5399 -2.1713 -2.1713 5.7047 5.7047 6.0579 6.0579 7.4715 7.4715 8.1958 8.1958 8.4080 8.4080 9.4020 9.4020 9.7753 9.7753 10.1584 10.1584 10.2819 10.2819 10.6399 10.6399 11.4295 11.4295 13.7328 13.7328 13.9491 13.9491 15.2611 15.2611 16.6681 16.6681 k = 0.7379-0.2812-0.7097 ( 1758 PWs) bands (ev): -56.2261 -56.2261 -29.2676 -29.2676 -20.9512 -20.9512 -20.6138 -20.6138 -2.5417 -2.5417 -2.2079 -2.2079 5.6825 5.6825 6.0806 6.0806 7.4492 7.4492 8.1750 8.1750 8.4278 8.4278 9.3973 9.3973 9.7709 9.7709 10.1611 10.1611 10.2925 10.2925 10.6210 10.6210 11.4292 11.4292 13.6516 13.6516 14.0299 14.0299 15.2334 15.2334 16.6771 16.6771 k = 0.7329-0.2726-0.6933 ( 1756 PWs) bands (ev): -56.2269 -56.2269 -29.2648 -29.2648 -20.9436 -20.9436 -20.6091 -20.6091 -2.5448 -2.5448 -2.2446 -2.2446 5.6597 5.6597 6.1078 6.1078 7.4190 7.4190 8.1555 8.1555 8.4496 8.4496 9.3919 9.3919 9.7670 9.7670 10.1631 10.1631 10.3031 10.3031 10.6037 10.6037 11.4218 11.4218 13.5777 13.5777 14.1115 14.1115 15.2124 15.2124 16.6817 16.6817 k = 0.7280-0.2640-0.6768 ( 1752 PWs) bands (ev): -56.2276 -56.2276 -29.2619 -29.2619 -20.9354 -20.9354 -20.6043 -20.6043 -2.5512 -2.5512 -2.2792 -2.2792 5.6365 5.6365 6.1389 6.1389 7.3819 7.3819 8.1373 8.1373 8.4728 8.4728 9.3858 9.3858 9.7634 9.7634 10.1641 10.1641 10.3135 10.3135 10.5880 10.5880 11.4065 11.4065 13.5133 13.5133 14.1912 14.1912 15.1990 15.1990 16.6819 16.6819 k = 0.7230-0.2553-0.6603 ( 1756 PWs) bands (ev): -56.2284 -56.2284 -29.2589 -29.2589 -20.9267 -20.9267 -20.5997 -20.5997 -2.5637 -2.5637 -2.3089 -2.3089 5.6129 5.6129 6.1732 6.1732 7.3391 7.3391 8.1203 8.1203 8.4970 8.4970 9.3790 9.3790 9.7601 9.7601 10.1641 10.1641 10.3235 10.3235 10.5739 10.5739 11.3826 11.3826 13.4592 13.4592 14.2671 14.2671 15.1941 15.1941 16.6779 16.6779 k = 0.7180-0.2467-0.6439 ( 1754 PWs) bands (ev): -56.2292 -56.2292 -29.2558 -29.2558 -20.9174 -20.9174 -20.5950 -20.5950 -2.5854 -2.5854 -2.3303 -2.3303 5.5891 5.5891 6.2102 6.2102 7.2919 7.2919 8.1040 8.1040 8.5223 8.5223 9.3716 9.3716 9.7574 9.7574 10.1630 10.1630 10.3332 10.3332 10.5617 10.5617 11.3497 11.3497 13.4158 13.4158 14.3372 14.3372 15.1988 15.1988 16.6701 16.6701 k = 0.7131-0.2381-0.6274 ( 1756 PWs) bands (ev): -56.2301 -56.2301 -29.2526 -29.2526 -20.9075 -20.9075 -20.5904 -20.5904 -2.6180 -2.6180 -2.3415 -2.3415 5.5651 5.5651 6.2491 6.2491 7.2412 7.2412 8.0882 8.0882 8.5486 8.5486 9.3636 9.3636 9.7551 9.7551 10.1604 10.1604 10.3425 10.3425 10.5514 10.5514 11.3078 11.3078 13.3828 13.3828 14.3999 14.3999 15.2139 15.2139 16.6587 16.6587 k = 0.7081-0.2294-0.6109 ( 1758 PWs) bands (ev): -56.2310 -56.2310 -29.2492 -29.2492 -20.8971 -20.8971 -20.5859 -20.5859 -2.6610 -2.6610 -2.3429 -2.3429 5.5411 5.5411 6.2891 6.2891 7.1881 7.1881 8.0731 8.0731 8.5760 8.5760 9.3550 9.3550 9.7534 9.7534 10.1565 10.1565 10.3514 10.3514 10.5430 10.5430 11.2572 11.2572 13.3600 13.3600 14.4540 14.4540 15.2399 15.2399 16.6440 16.6440 k = 0.7032-0.2208-0.5945 ( 1758 PWs) bands (ev): -56.2319 -56.2319 -29.2457 -29.2457 -20.8862 -20.8862 -20.5813 -20.5813 -2.7122 -2.7122 -2.3364 -2.3364 5.5172 5.5172 6.3292 6.3292 7.1332 7.1332 8.0588 8.0588 8.6046 8.6046 9.3459 9.3459 9.7523 9.7523 10.1508 10.1508 10.3600 10.3600 10.5365 10.5365 11.1985 11.1985 13.3465 13.3465 14.4986 14.4986 15.2765 15.2765 16.6263 16.6263 k = 0.6982-0.2122-0.5780 ( 1754 PWs) bands (ev): -56.2328 -56.2328 -29.2421 -29.2421 -20.8747 -20.8747 -20.5768 -20.5768 -2.7695 -2.7695 -2.3239 -2.3239 5.4933 5.4933 6.3684 6.3684 7.0775 7.0775 8.0460 8.0460 8.6344 8.6344 9.3363 9.3363 9.7518 9.7518 10.1433 10.1433 10.3685 10.3685 10.5322 10.5322 11.1327 11.1327 13.3413 13.3413 14.5341 14.5341 15.3226 15.3226 16.6059 16.6059 k = 0.6933-0.2035-0.5616 ( 1760 PWs) bands (ev): -56.2338 -56.2338 -29.2385 -29.2385 -20.8629 -20.8629 -20.5723 -20.5723 -2.8315 -2.8315 -2.3068 -2.3068 5.4696 5.4696 6.4054 6.4054 7.0216 7.0216 8.0352 8.0352 8.6655 8.6655 9.3263 9.3263 9.7517 9.7517 10.1335 10.1335 10.3767 10.3767 10.5296 10.5296 11.0609 11.0609 13.3432 13.3432 14.5612 14.5612 15.3763 15.3763 16.5830 16.5830 k = 0.6883-0.1949-0.5451 ( 1760 PWs) bands (ev): -56.2348 -56.2348 -29.2347 -29.2347 -20.8506 -20.8506 -20.5679 -20.5679 -2.8968 -2.8968 -2.2862 -2.2862 5.4462 5.4462 6.4386 6.4386 6.9663 6.9663 8.0276 8.0276 8.6979 8.6979 9.3160 9.3160 9.7522 9.7522 10.1214 10.1214 10.3851 10.3851 10.5289 10.5289 10.9846 10.9846 13.3511 13.3511 14.5811 14.5811 15.4356 15.4356 16.5579 16.5579 k = 0.6834-0.1863-0.5286 ( 1758 PWs) bands (ev): -56.2358 -56.2358 -29.2308 -29.2308 -20.8379 -20.8379 -20.5634 -20.5634 -2.9647 -2.9647 -2.2625 -2.2625 5.4231 5.4231 6.4663 6.4663 6.9126 6.9126 8.0242 8.0242 8.7317 8.7317 9.3053 9.3053 9.7531 9.7531 10.1063 10.1063 10.3937 10.3937 10.5298 10.5298 10.9051 10.9051 13.3636 13.3636 14.5952 14.5952 15.4980 15.4980 16.5312 16.5312 k = 0.6784-0.1776-0.5122 ( 1750 PWs) bands (ev): -56.2368 -56.2368 -29.2269 -29.2269 -20.8248 -20.8248 -20.5590 -20.5590 -3.0347 -3.0347 -2.2364 -2.2364 5.4005 5.4005 6.4864 6.4864 6.8615 6.8615 8.0263 8.0263 8.7667 8.7667 9.2943 9.2943 9.7545 9.7545 10.0880 10.0880 10.4027 10.4027 10.5318 10.5318 10.8246 10.8246 13.3797 13.3797 14.6045 14.6045 15.5616 15.5616 16.5029 16.5029 k = 0.6734-0.1690-0.4957 ( 1750 PWs) bands (ev): -56.2378 -56.2378 -29.2229 -29.2229 -20.8114 -20.8114 -20.5545 -20.5545 -3.1063 -3.1063 -2.2080 -2.2080 5.3784 5.3784 6.4966 6.4966 6.8143 6.8143 8.0349 8.0349 8.8027 8.8027 9.2830 9.2830 9.7560 9.7560 10.0655 10.0655 10.4122 10.4122 10.5338 10.5338 10.7454 10.7454 13.3982 13.3982 14.6098 14.6098 15.6246 15.6246 16.4734 16.4734 k = 0.6685-0.1603-0.4792 ( 1752 PWs) bands (ev): -56.2389 -56.2389 -29.2189 -29.2189 -20.7979 -20.7979 -20.5500 -20.5500 -3.1791 -3.1791 -2.1777 -2.1777 5.3569 5.3569 6.4948 6.4948 6.7725 6.7725 8.0511 8.0511 8.8398 8.8398 9.2714 9.2714 9.7577 9.7577 10.0380 10.0380 10.4224 10.4224 10.5329 10.5329 10.6727 10.6727 13.4182 13.4182 14.6119 14.6119 15.6852 15.6852 16.4430 16.4430 k = 0.6635-0.1517-0.4628 ( 1752 PWs) bands (ev): -56.2399 -56.2399 -29.2149 -29.2149 -20.7841 -20.7841 -20.5455 -20.5455 -3.2527 -3.2527 -2.1456 -2.1456 5.3361 5.3361 6.4799 6.4799 6.7367 6.7367 8.0755 8.0755 8.8777 8.8777 9.2596 9.2596 9.7591 9.7591 10.0046 10.0046 10.4333 10.4333 10.5183 10.5183 10.6192 10.6192 13.4389 13.4389 14.6110 14.6110 15.7425 15.7425 16.4120 16.4120 k = 0.6586-0.1431-0.4463 ( 1754 PWs) bands (ev): -56.2410 -56.2410 -29.2108 -29.2108 -20.7703 -20.7703 -20.5409 -20.5409 -3.3270 -3.3270 -2.1119 -2.1119 5.3161 5.3161 6.4527 6.4527 6.7058 6.7058 8.1087 8.1087 8.9161 8.9161 9.2477 9.2477 9.7596 9.7596 9.9644 9.9644 10.4444 10.4444 10.4774 10.4774 10.6004 10.6004 13.4594 13.4594 14.6074 14.6074 15.7951 15.7951 16.3809 16.3809 k = 0.6536-0.1344-0.4298 ( 1758 PWs) bands (ev): -56.2421 -56.2421 -29.2067 -29.2067 -20.7565 -20.7565 -20.5361 -20.5361 -3.4015 -3.4015 -2.0768 -2.0768 5.2971 5.2971 6.4160 6.4160 6.6775 6.6775 8.1504 8.1504 8.9546 8.9546 9.2356 9.2356 9.7576 9.7576 9.9178 9.9178 10.4208 10.4208 10.4603 10.4603 10.6029 10.6029 13.4792 13.4792 14.6014 14.6014 15.8418 15.8418 16.3503 16.3503 k = 0.6487-0.1258-0.4134 ( 1758 PWs) bands (ev): -56.2432 -56.2432 -29.2026 -29.2026 -20.7427 -20.7427 -20.5312 -20.5312 -3.4762 -3.4762 -2.0403 -2.0403 5.2790 5.2790 6.3727 6.3727 6.6491 6.6491 8.2002 8.2002 8.9925 8.9925 9.2235 9.2235 9.7486 9.7486 9.8693 9.8693 10.3706 10.3706 10.4739 10.4739 10.6134 10.6134 13.4978 13.4978 14.5929 14.5929 15.8815 15.8815 16.3209 16.3209 k = 0.6437-0.1172-0.3969 ( 1762 PWs) bands (ev): -56.2442 -56.2442 -29.1985 -29.1985 -20.7290 -20.7290 -20.5260 -20.5260 -3.5507 -3.5507 -2.0027 -2.0027 5.2621 5.2621 6.3255 6.3255 6.6190 6.6190 8.2575 8.2575 9.0289 9.0289 9.2116 9.2116 9.7205 9.7205 9.8318 9.8318 10.3264 10.3264 10.4895 10.4895 10.6280 10.6280 13.5147 13.5147 14.5820 14.5820 15.9125 15.9125 16.2940 16.2940 k = 0.6388-0.1085-0.3804 ( 1758 PWs) bands (ev): -56.2453 -56.2453 -29.1943 -29.1943 -20.7156 -20.7156 -20.5206 -20.5206 -3.6249 -3.6249 -1.9641 -1.9641 5.2464 5.2464 6.2760 6.2760 6.5865 6.5865 8.3214 8.3214 9.0620 9.0620 9.2004 9.2004 9.6657 9.6657 9.8154 9.8154 10.2893 10.2893 10.5066 10.5066 10.6456 10.6456 13.5296 13.5296 14.5687 14.5687 15.9330 15.9330 16.2710 16.2710 k = 0.6338-0.0999-0.3640 ( 1764 PWs) bands (ev): -56.2464 -56.2464 -29.1903 -29.1903 -20.7025 -20.7025 -20.5148 -20.5148 -3.6985 -3.6985 -1.9247 -1.9247 5.2320 5.2320 6.2255 6.2255 6.5513 6.5513 8.3909 8.3909 9.0884 9.0884 9.1909 9.1909 9.5967 9.5967 9.8112 9.8112 10.2581 10.2581 10.5254 10.5254 10.6659 10.6659 13.5422 13.5422 14.5528 14.5528 15.9410 15.9410 16.2536 16.2536 k = 0.6288-0.0913-0.3475 ( 1766 PWs) bands (ev): -56.2474 -56.2474 -29.1863 -29.1863 -20.6899 -20.6899 -20.5087 -20.5087 -3.7713 -3.7713 -1.8846 -1.8846 5.2191 5.2191 6.1746 6.1746 6.5139 6.5139 8.4646 8.4646 9.1020 9.1020 9.1849 9.1849 9.5269 9.5269 9.8118 9.8118 10.2319 10.2319 10.5459 10.5459 10.6890 10.6890 13.5525 13.5525 14.5346 14.5346 15.9353 15.9353 16.2429 16.2429 k = 0.6239-0.0826-0.3310 ( 1768 PWs) bands (ev): -56.2485 -56.2485 -29.1823 -29.1823 -20.6779 -20.6779 -20.5021 -20.5021 -3.8431 -3.8431 -1.8439 -1.8439 5.2076 5.2076 6.1238 6.1238 6.4745 6.4745 8.5417 8.5417 9.0964 9.0964 9.1808 9.1808 9.4684 9.4684 9.8144 9.8144 10.2096 10.2096 10.5683 10.5683 10.7148 10.7148 13.5605 13.5605 14.5138 14.5138 15.9164 15.9164 16.2384 16.2384 k = 0.6189-0.0740-0.3146 ( 1770 PWs) bands (ev): -56.2495 -56.2495 -29.1784 -29.1784 -20.6666 -20.6666 -20.4950 -20.4950 -3.9138 -3.9138 -1.8028 -1.8028 5.1977 5.1977 6.0734 6.0734 6.4339 6.4339 8.6207 8.6207 9.0690 9.0690 9.1709 9.1709 9.4338 9.4338 9.8179 9.8179 10.1905 10.1905 10.5927 10.5927 10.7436 10.7436 13.5661 13.5661 14.4906 14.4906 15.8860 15.8860 16.2381 16.2381 k = 0.6140-0.0654-0.2981 ( 1764 PWs) bands (ev): -56.2505 -56.2505 -29.1744 -29.1744 -20.6559 -20.6559 -20.4873 -20.4873 -3.9831 -3.9831 -1.7615 -1.7615 5.1896 5.1896 6.0238 6.0238 6.3925 6.3925 8.7000 8.7000 9.0185 9.0185 9.1545 9.1545 9.4268 9.4268 9.8221 9.8221 10.1738 10.1738 10.6195 10.6195 10.7755 10.7755 13.5695 13.5695 14.4648 14.4648 15.8465 15.8465 16.2397 16.2397 k = 0.6090-0.0567-0.2816 ( 1764 PWs) bands (ev): -56.2515 -56.2515 -29.1706 -29.1706 -20.6460 -20.6460 -20.4791 -20.4791 -4.0509 -4.0509 -1.7202 -1.7202 5.1831 5.1831 5.9751 5.9751 6.3508 6.3508 8.7744 8.7744 8.9520 8.9520 9.1378 9.1378 9.4393 9.4393 9.8266 9.8266 10.1591 10.1591 10.6487 10.6487 10.8105 10.8105 13.5708 13.5708 14.4364 14.4364 15.7998 15.7998 16.2413 16.2413 k = 0.6041-0.0481-0.2652 ( 1772 PWs) bands (ev): -56.2525 -56.2525 -29.1670 -29.1670 -20.6371 -20.6371 -20.4705 -20.4705 -4.1170 -4.1170 -1.6790 -1.6790 5.1784 5.1784 5.9274 5.9274 6.3092 6.3092 8.8068 8.8068 8.9134 8.9134 9.1230 9.1230 9.4615 9.4615 9.8312 9.8312 10.1460 10.1460 10.6805 10.6805 10.8487 10.8487 13.5702 13.5702 14.4055 14.4055 15.7473 15.7473 16.2416 16.2416 k = 0.5991-0.0394-0.2487 ( 1772 PWs) bands (ev): -56.2535 -56.2535 -29.1634 -29.1634 -20.6290 -20.6290 -20.4613 -20.4613 -4.1812 -4.1812 -1.6380 -1.6380 5.1755 5.1755 5.8810 5.8810 6.2681 6.2681 8.7394 8.7394 8.9655 8.9655 9.1106 9.1106 9.4879 9.4879 9.8360 9.8360 10.1343 10.1343 10.7154 10.7154 10.8902 10.8902 13.5679 13.5679 14.3720 14.3720 15.6899 15.6899 16.2400 16.2400 k = 0.5942-0.0308-0.2322 ( 1774 PWs) bands (ev): -56.2544 -56.2544 -29.1599 -29.1599 -20.6217 -20.6217 -20.4517 -20.4517 -4.2434 -4.2434 -1.5976 -1.5976 5.1745 5.1745 5.8360 5.8360 6.2279 6.2279 8.6460 8.6460 9.0335 9.0335 9.1037 9.1037 9.5155 9.5155 9.8410 9.8410 10.1240 10.1240 10.7533 10.7533 10.9350 10.9350 13.5642 13.5642 14.3359 14.3359 15.6283 15.6283 16.2362 16.2362 k = 0.5892-0.0222-0.2158 ( 1768 PWs) bands (ev): -56.2553 -56.2553 -29.1565 -29.1565 -20.6152 -20.6152 -20.4417 -20.4417 -4.3034 -4.3034 -1.5578 -1.5578 5.1754 5.1754 5.7924 5.7924 6.1889 6.1889 8.5478 8.5478 9.0680 9.0680 9.1320 9.1320 9.5430 9.5430 9.8462 9.8462 10.1148 10.1148 10.7948 10.7948 10.9830 10.9830 13.5595 13.5595 14.2973 14.2973 15.5631 15.5631 16.2299 16.2299 k = 0.5842-0.0135-0.1993 ( 1766 PWs) bands (ev): -56.2561 -56.2561 -29.1532 -29.1532 -20.6094 -20.6094 -20.4316 -20.4316 -4.3611 -4.3611 -1.5188 -1.5188 5.1781 5.1781 5.7506 5.7506 6.1512 6.1512 8.4483 8.4483 9.0636 9.0636 9.1975 9.1975 9.5692 9.5692 9.8515 9.8515 10.1066 10.1066 10.8398 10.8398 11.0341 11.0341 13.5539 13.5539 14.2562 14.2562 15.4947 15.4947 16.2213 16.2213 k = 0.5793-0.0049-0.1829 ( 1764 PWs) bands (ev): -56.2569 -56.2569 -29.1501 -29.1501 -20.6044 -20.6044 -20.4213 -20.4213 -4.4163 -4.4163 -1.4808 -1.4808 5.1826 5.1826 5.7105 5.7105 6.1151 6.1151 8.3492 8.3492 9.0542 9.0542 9.2650 9.2650 9.5939 9.5939 9.8570 9.8570 10.0994 10.0994 10.8885 10.8885 11.0879 11.0879 13.5478 13.5478 14.2127 14.2127 15.4236 15.4236 16.2105 16.2105 k = 0.5743 0.0037-0.1664 ( 1764 PWs) bands (ev): -56.2577 -56.2577 -29.1471 -29.1471 -20.6000 -20.6000 -20.4110 -20.4110 -4.4690 -4.4690 -1.4440 -1.4440 5.1888 5.1888 5.6723 5.6723 6.0808 6.0808 8.2513 8.2513 9.0442 9.0442 9.3292 9.3292 9.6166 9.6166 9.8627 9.8627 10.0930 10.0930 10.9408 10.9408 11.1442 11.1442 13.5414 13.5414 14.1668 14.1668 15.3504 15.3504 16.1978 16.1978 k = 0.5694 0.0124-0.1499 ( 1764 PWs) bands (ev): -56.2585 -56.2585 -29.1443 -29.1443 -20.5961 -20.5961 -20.4009 -20.4009 -4.5188 -4.5188 -1.4085 -1.4085 5.1965 5.1965 5.6362 5.6362 6.0483 6.0483 8.1555 8.1555 9.0344 9.0344 9.3890 9.3890 9.6372 9.6372 9.8687 9.8687 10.0875 10.0875 10.9966 10.9966 11.2027 11.2027 13.5351 13.5351 14.1187 14.1187 15.2755 15.2755 16.1834 16.1834 k = 0.5644 0.0210-0.1335 ( 1764 PWs) bands (ev): -56.2592 -56.2592 -29.1416 -29.1416 -20.5927 -20.5927 -20.3910 -20.3910 -4.5658 -4.5658 -1.3746 -1.3746 5.2056 5.2056 5.6023 5.6023 6.0178 6.0178 8.0623 8.0623 9.0250 9.0250 9.4437 9.4437 9.6556 9.6556 9.8750 9.8750 10.0827 10.0827 11.0554 11.0554 11.2629 11.2629 13.5290 13.5290 14.0687 14.0687 15.1995 15.1995 16.1677 16.1677 k = 0.5595 0.0296-0.1170 ( 1762 PWs) bands (ev): -56.2598 -56.2598 -29.1391 -29.1391 -20.5898 -20.5898 -20.3814 -20.3814 -4.6099 -4.6099 -1.3424 -1.3424 5.2160 5.2160 5.5709 5.5709 5.9894 5.9894 7.9723 7.9723 9.0160 9.0160 9.4931 9.4931 9.6719 9.6719 9.8816 9.8816 10.0787 10.0787 11.1169 11.1169 11.3243 11.3243 13.5234 13.5234 14.0170 14.0170 15.1230 15.1230 16.1512 16.1512 k = 0.5545 0.0383-0.1005 ( 1760 PWs) bands (ev): -56.2604 -56.2604 -29.1368 -29.1368 -20.5873 -20.5873 -20.3722 -20.3722 -4.6508 -4.6508 -1.3121 -1.3121 5.2272 5.2272 5.5419 5.5419 5.9631 5.9631 7.8861 7.8861 9.0077 9.0077 9.5371 9.5371 9.6861 9.6861 9.8885 9.8885 10.0752 10.0752 11.1802 11.1802 11.3865 11.3865 13.5185 13.5185 13.9641 13.9641 15.0468 15.0468 16.1341 16.1341 k = 0.5496 0.0469-0.0841 ( 1766 PWs) bands (ev): -56.2610 -56.2610 -29.1346 -29.1346 -20.5851 -20.5851 -20.3636 -20.3636 -4.6885 -4.6885 -1.2839 -1.2839 5.2389 5.2389 5.5158 5.5158 5.9390 5.9390 7.8043 7.8043 8.9998 8.9998 9.5756 9.5756 9.6982 9.6982 9.8956 9.8956 10.0723 10.0723 11.2443 11.2443 11.4489 11.4489 13.5143 13.5143 13.9103 13.9103 14.9716 14.9716 16.1169 16.1169 k = 0.5446 0.0555-0.0676 ( 1766 PWs) bands (ev): -56.2615 -56.2615 -29.1327 -29.1327 -20.5832 -20.5832 -20.3556 -20.3556 -4.7230 -4.7230 -1.2578 -1.2578 5.2506 5.2506 5.4927 5.4927 5.9172 5.9172 7.7274 7.7274 8.9926 8.9926 9.6091 9.6091 9.7084 9.7084 9.9029 9.9029 10.0699 10.0699 11.3081 11.3081 11.5108 11.5108 13.5109 13.5109 13.8565 13.8565 14.8981 14.8981 16.0999 16.0999 k = 0.5396 0.0642-0.0511 ( 1762 PWs) bands (ev): -56.2620 -56.2620 -29.1309 -29.1309 -20.5816 -20.5816 -20.3482 -20.3482 -4.7540 -4.7540 -1.2341 -1.2341 5.2619 5.2619 5.4728 5.4728 5.8976 5.8976 7.6561 7.6561 8.9862 8.9862 9.6377 9.6377 9.7170 9.7170 9.9102 9.9102 10.0681 10.0681 11.3703 11.3703 11.5715 11.5715 13.5082 13.5082 13.8037 13.8037 14.8275 14.8275 16.0837 16.0837 k = 0.5347 0.0728-0.0347 ( 1768 PWs) bands (ev): -56.2624 -56.2624 -29.1294 -29.1294 -20.5803 -20.5803 -20.3416 -20.3416 -4.7816 -4.7816 -1.2128 -1.2128 5.2721 5.2721 5.4564 5.4564 5.8802 5.8802 7.5911 7.5911 8.9803 8.9803 9.6617 9.6617 9.7241 9.7241 9.9171 9.9171 10.0665 10.0665 11.4294 11.4294 11.6301 11.6301 13.5057 13.5057 13.7530 13.7530 14.7606 14.7606 16.0685 16.0685 k = 0.5297 0.0815-0.0182 ( 1770 PWs) bands (ev): -56.2628 -56.2628 -29.1280 -29.1280 -20.5791 -20.5791 -20.3358 -20.3358 -4.8057 -4.8057 -1.1941 -1.1941 5.2806 5.2806 5.4438 5.4438 5.8652 5.8652 7.5329 7.5329 8.9753 8.9753 9.6814 9.6814 9.7298 9.7298 9.9237 9.9237 10.0653 10.0653 11.4840 11.4840 11.6858 11.6858 13.5029 13.5029 13.7062 13.7062 14.6987 14.6987 16.0546 16.0546 k = 0.5248 0.0901-0.0017 ( 1768 PWs) bands (ev): -56.2631 -56.2631 -29.1268 -29.1268 -20.5782 -20.5782 -20.3307 -20.3307 -4.8261 -4.8261 -1.1781 -1.1781 5.2870 5.2870 5.4349 5.4349 5.8525 5.8525 7.4823 7.4823 8.9709 8.9709 9.6974 9.6974 9.7345 9.7345 9.9297 9.9297 10.0644 10.0644 11.5328 11.5328 11.7373 11.7373 13.4987 13.4987 13.6655 13.6655 14.6430 14.6430 16.0423 16.0423 k = 0.5198 0.0987 0.0147 ( 1766 PWs) bands (ev): -56.2633 -56.2633 -29.1259 -29.1259 -20.5774 -20.5774 -20.3265 -20.3265 -4.8429 -4.8429 -1.1649 -1.1649 5.2913 5.2913 5.4295 5.4295 5.8421 5.8421 7.4398 7.4398 8.9674 8.9674 9.7099 9.7099 9.7382 9.7382 9.9349 9.9349 10.0638 10.0638 11.5744 11.5744 11.7829 11.7829 13.4919 13.4919 13.6333 13.6333 14.5948 14.5948 16.0320 16.0320 k = 0.5149 0.1074 0.0312 ( 1764 PWs) bands (ev): -56.2635 -56.2635 -29.1251 -29.1251 -20.5769 -20.5769 -20.3232 -20.3232 -4.8560 -4.8560 -1.1545 -1.1545 5.2936 5.2936 5.4268 5.4268 5.8340 5.8340 7.4060 7.4060 8.9646 8.9646 9.7191 9.7191 9.7410 9.7410 9.9391 9.9391 10.0633 10.0633 11.6078 11.6078 11.8211 11.8211 13.4820 13.4820 13.6111 13.6111 14.5555 14.5555 16.0237 16.0237 k = 0.5099 0.1160 0.0477 ( 1766 PWs) bands (ev): -56.2637 -56.2637 -29.1246 -29.1246 -20.5765 -20.5765 -20.3209 -20.3209 -4.8654 -4.8654 -1.1471 -1.1471 5.2945 5.2945 5.4258 5.4258 5.8282 5.8282 7.3815 7.3815 8.9626 8.9626 9.7254 9.7254 9.7431 9.7431 9.9422 9.9422 10.0630 10.0630 11.6322 11.6322 11.8500 11.8500 13.4710 13.4710 13.5982 13.5982 14.5262 14.5262 16.0177 16.0177 k = 0.5050 0.1246 0.0641 ( 1764 PWs) bands (ev): -56.2637 -56.2637 -29.1243 -29.1243 -20.5762 -20.5762 -20.3195 -20.3195 -4.8711 -4.8711 -1.1426 -1.1426 5.2948 5.2948 5.4256 5.4256 5.8247 5.8247 7.3666 7.3666 8.9614 8.9614 9.7290 9.7290 9.7445 9.7445 9.9441 9.9441 10.0629 10.0629 11.6471 11.6471 11.8681 11.8681 13.4624 13.4624 13.5921 13.5921 14.5082 14.5082 16.0140 16.0140 k = 0.5000 0.1333 0.0806 ( 1764 PWs) bands (ev): -56.2638 -56.2638 -29.1242 -29.1242 -20.5762 -20.5762 -20.3190 -20.3190 -4.8730 -4.8730 -1.1411 -1.1411 5.2949 5.2949 5.4257 5.4257 5.8236 5.8236 7.3616 7.3616 8.9610 8.9610 9.7302 9.7302 9.7449 9.7449 9.9447 9.9447 10.0628 10.0628 11.6521 11.6521 11.8743 11.8743 13.4592 13.4592 13.5903 13.5903 14.5021 14.5021 16.0128 16.0128 k = 0.5000 0.1333 0.0806 ( 1764 PWs) bands (ev): -56.2638 -56.2638 -29.1242 -29.1242 -20.5762 -20.5762 -20.3190 -20.3190 -4.8730 -4.8730 -1.1411 -1.1411 5.2949 5.2949 5.4257 5.4257 5.8236 5.8236 7.3616 7.3616 8.9610 8.9610 9.7302 9.7302 9.7449 9.7449 9.9447 9.9447 10.0628 10.0628 11.6521 11.6521 11.8743 11.8743 13.4592 13.4592 13.5903 13.5903 14.5021 14.5021 16.0128 16.0128 k = 0.4821 0.1285 0.0777 ( 1764 PWs) bands (ev): -56.2638 -56.2638 -29.1242 -29.1242 -20.5762 -20.5762 -20.3190 -20.3190 -4.8732 -4.8732 -1.1404 -1.1404 5.2948 5.2948 5.4255 5.4255 5.8172 5.8172 7.3693 7.3693 8.9610 8.9610 9.7311 9.7311 9.7453 9.7453 9.9452 9.9452 10.0628 10.0628 11.6509 11.6509 11.8731 11.8731 13.4593 13.4593 13.5904 13.5904 14.4986 14.4986 16.0139 16.0139 k = 0.4643 0.1238 0.0748 ( 1764 PWs) bands (ev): -56.2638 -56.2638 -29.1242 -29.1242 -20.5762 -20.5762 -20.3190 -20.3190 -4.8738 -4.8738 -1.1384 -1.1384 5.2945 5.2945 5.4251 5.4251 5.7984 5.7984 7.3916 7.3916 8.9612 8.9612 9.7340 9.7340 9.7466 9.7466 9.9467 9.9467 10.0627 10.0627 11.6473 11.6473 11.8695 11.8695 13.4594 13.4594 13.5909 13.5909 14.4879 14.4879 16.0171 16.0171 k = 0.4464 0.1190 0.0720 ( 1761 PWs) bands (ev): -56.2638 -56.2638 -29.1241 -29.1241 -20.5761 -20.5761 -20.3190 -20.3190 -4.8747 -4.8747 -1.1350 -1.1350 5.2940 5.2940 5.4244 5.4244 5.7685 5.7685 7.4276 7.4276 8.9614 8.9614 9.7388 9.7388 9.7486 9.7486 9.9493 9.9493 10.0626 10.0626 11.6413 11.6413 11.8635 11.8635 13.4597 13.4597 13.5915 13.5915 14.4702 14.4702 16.0225 16.0225 k = 0.4286 0.1142 0.0691 ( 1764 PWs) bands (ev): -56.2638 -56.2638 -29.1242 -29.1242 -20.5761 -20.5761 -20.3190 -20.3190 -4.8761 -4.8761 -1.1303 -1.1303 5.2934 5.2934 5.4234 5.4234 5.7290 5.7290 7.4754 7.4754 8.9619 8.9619 9.7454 9.7454 9.7512 9.7512 9.9529 9.9529 10.0624 10.0624 11.6330 11.6330 11.8551 11.8551 13.4600 13.4600 13.5925 13.5925 14.4458 14.4458 16.0299 16.0299 k = 0.4107 0.1095 0.0662 ( 1764 PWs) bands (ev): -56.2638 -56.2638 -29.1242 -29.1242 -20.5761 -20.5761 -20.3190 -20.3190 -4.8778 -4.8778 -1.1243 -1.1243 5.2926 5.2926 5.4221 5.4221 5.6820 5.6820 7.5331 7.5331 8.9625 8.9625 9.7538 9.7538 9.7544 9.7544 9.9576 9.9576 10.0621 10.0621 11.6224 11.6224 11.8445 11.8445 13.4604 13.4604 13.5936 13.5936 14.4150 14.4150 16.0393 16.0393 k = 0.3929 0.1047 0.0633 ( 1764 PWs) bands (ev): -56.2638 -56.2638 -29.1241 -29.1241 -20.5761 -20.5761 -20.3190 -20.3190 -4.8798 -4.8798 -1.1172 -1.1172 5.2917 5.2917 5.4202 5.4202 5.6293 5.6293 7.5988 7.5988 8.9635 8.9635 9.7581 9.7581 9.7640 9.7640 9.9636 9.9636 10.0619 10.0619 11.6097 11.6097 11.8318 11.8318 13.4608 13.4608 13.5950 13.5950 14.3782 14.3782 16.0506 16.0506 k = 0.3750 0.1000 0.0604 ( 1767 PWs) bands (ev): -56.2638 -56.2638 -29.1242 -29.1242 -20.5761 -20.5761 -20.3190 -20.3190 -4.8822 -4.8822 -1.1089 -1.1089 5.2906 5.2906 5.4176 5.4176 5.5729 5.5729 7.6707 7.6707 8.9649 8.9649 9.7621 9.7621 9.7759 9.7759 9.9709 9.9709 10.0616 10.0616 11.5949 11.5949 11.8170 11.8170 13.4612 13.4612 13.5966 13.5966 14.3358 14.3358 16.0635 16.0635 k = 0.3571 0.0952 0.0576 ( 1767 PWs) bands (ev): -56.2638 -56.2638 -29.1242 -29.1242 -20.5761 -20.5761 -20.3190 -20.3190 -4.8848 -4.8848 -1.0997 -1.0997 5.2893 5.2893 5.4129 5.4129 5.5155 5.5155 7.7472 7.7472 8.9670 8.9670 9.7662 9.7662 9.7895 9.7895 9.9795 9.9795 10.0612 10.0612 11.5781 11.5781 11.8003 11.8003 13.4614 13.4614 13.5984 13.5984 14.2884 14.2884 16.0781 16.0781 k = 0.3393 0.0904 0.0547 ( 1761 PWs) bands (ev): -56.2638 -56.2638 -29.1241 -29.1241 -20.5760 -20.5760 -20.3189 -20.3189 -4.8877 -4.8877 -1.0895 -1.0895 5.2880 5.2880 5.4012 5.4012 5.4634 5.4634 7.8267 7.8267 8.9698 8.9698 9.7705 9.7705 9.8046 9.8046 9.9896 9.9896 10.0609 10.0609 11.5596 11.5596 11.7817 11.7817 13.4615 13.4615 13.6003 13.6003 14.2367 14.2367 16.0942 16.0942 k = 0.3214 0.0857 0.0518 ( 1752 PWs) bands (ev): -56.2637 -56.2637 -29.1241 -29.1241 -20.5760 -20.5760 -20.3189 -20.3189 -4.8907 -4.8907 -1.0786 -1.0786 5.2866 5.2866 5.3656 5.3656 5.4342 5.4342 7.9080 7.9080 8.9735 8.9735 9.7747 9.7747 9.8211 9.8211 10.0012 10.0012 10.0606 10.0606 11.5394 11.5394 11.7617 11.7617 13.4613 13.4613 13.6024 13.6024 14.1812 14.1812 16.1115 16.1115 k = 0.3036 0.0809 0.0489 ( 1752 PWs) bands (ev): -56.2637 -56.2637 -29.1241 -29.1241 -20.5759 -20.5759 -20.3189 -20.3189 -4.8939 -4.8939 -1.0670 -1.0670 5.2851 5.2851 5.3103 5.3103 5.4248 5.4248 7.9898 7.9898 8.9787 8.9787 9.7786 9.7786 9.8389 9.8389 10.0140 10.0140 10.0602 10.0602 11.5177 11.5177 11.7401 11.7401 13.4606 13.4606 13.6045 13.6045 14.1228 14.1228 16.1298 16.1298 k = 0.2857 0.0762 0.0461 ( 1752 PWs) bands (ev): -56.2637 -56.2637 -29.1241 -29.1241 -20.5759 -20.5759 -20.3189 -20.3189 -4.8972 -4.8972 -1.0550 -1.0550 5.2508 5.2508 5.2835 5.2835 5.4203 5.4203 8.0709 8.0709 8.9855 8.9855 9.7822 9.7822 9.8578 9.8578 10.0283 10.0283 10.0598 10.0598 11.4947 11.4947 11.7173 11.7173 13.4593 13.4593 13.6067 13.6067 14.0621 14.0621 16.1490 16.1490 k = 0.2679 0.0714 0.0432 ( 1749 PWs) bands (ev): -56.2637 -56.2637 -29.1240 -29.1240 -20.5759 -20.5759 -20.3189 -20.3189 -4.9006 -4.9006 -1.0425 -1.0425 5.1913 5.1913 5.2819 5.2819 5.4173 5.4173 8.1502 8.1502 8.9945 8.9945 9.7856 9.7856 9.8777 9.8777 10.0437 10.0437 10.0593 10.0593 11.4705 11.4705 11.6934 11.6934 13.4572 13.4572 13.6090 13.6090 14.0002 14.0002 16.1688 16.1688 k = 0.2500 0.0666 0.0403 ( 1761 PWs) bands (ev): -56.2638 -56.2638 -29.1241 -29.1241 -20.5760 -20.5760 -20.3189 -20.3189 -4.9041 -4.9041 -1.0299 -1.0299 5.1331 5.1331 5.2803 5.2803 5.4147 5.4147 8.2262 8.2262 9.0058 9.0058 9.7885 9.7885 9.8983 9.8983 10.0589 10.0589 10.0602 10.0602 11.4455 11.4455 11.6688 11.6688 13.4537 13.4537 13.6111 13.6111 13.9380 13.9380 16.1890 16.1890 k = 0.2321 0.0619 0.0374 ( 1755 PWs) bands (ev): -56.2637 -56.2637 -29.1241 -29.1241 -20.5759 -20.5759 -20.3189 -20.3189 -4.9075 -4.9075 -1.0172 -1.0172 5.0771 5.0771 5.2786 5.2786 5.4125 5.4125 8.2978 8.2978 9.0206 9.0206 9.7912 9.7912 9.9197 9.9197 10.0586 10.0586 10.0777 10.0777 11.4199 11.4199 11.6436 11.6436 13.4486 13.4486 13.6134 13.6134 13.8769 13.8769 16.2094 16.2094 k = 0.2143 0.0571 0.0345 ( 1752 PWs) bands (ev): -56.2637 -56.2637 -29.1241 -29.1241 -20.5758 -20.5758 -20.3189 -20.3189 -4.9109 -4.9109 -1.0046 -1.0046 5.0237 5.0237 5.2771 5.2771 5.4104 5.4104 8.3638 8.3638 9.0390 9.0390 9.7936 9.7936 9.9413 9.9413 10.0583 10.0583 10.0958 10.0958 11.3941 11.3941 11.6182 11.6182 13.4411 13.4411 13.6155 13.6155 13.8181 13.8181 16.2297 16.2297 k = 0.1964 0.0524 0.0317 ( 1752 PWs) bands (ev): -56.2637 -56.2637 -29.1241 -29.1241 -20.5758 -20.5758 -20.3189 -20.3189 -4.9142 -4.9142 -0.9923 -0.9923 4.9733 4.9733 5.2755 5.2755 5.4085 5.4085 8.4231 8.4231 9.0615 9.0615 9.7956 9.7956 9.9630 9.9630 10.0581 10.0581 10.1143 10.1143 11.3681 11.3681 11.5929 11.5929 13.4301 13.4301 13.6176 13.6176 13.7636 13.7636 16.2496 16.2496 k = 0.1786 0.0476 0.0288 ( 1752 PWs) bands (ev): -56.2637 -56.2637 -29.1241 -29.1241 -20.5758 -20.5758 -20.3189 -20.3189 -4.9173 -4.9173 -0.9804 -0.9804 4.9262 4.9262 5.2740 5.2740 5.4067 5.4067 8.4749 8.4749 9.0882 9.0882 9.7973 9.7973 9.9843 9.9843 10.0580 10.0580 10.1330 10.1330 11.3425 11.3425 11.5679 11.5679 13.4146 13.4146 13.6196 13.6196 13.7151 13.7151 16.2689 16.2689 k = 0.1607 0.0428 0.0259 ( 1758 PWs) bands (ev): -56.2637 -56.2637 -29.1241 -29.1241 -20.5758 -20.5758 -20.3189 -20.3189 -4.9203 -4.9203 -0.9690 -0.9690 4.8828 4.8828 5.2726 5.2726 5.4050 5.4050 8.5187 8.5187 9.1186 9.1186 9.7987 9.7987 10.0049 10.0049 10.0583 10.0583 10.1514 10.1514 11.3175 11.3175 11.5436 11.5436 13.3937 13.3937 13.6214 13.6214 13.6744 13.6744 16.2873 16.2873 k = 0.1429 0.0381 0.0230 ( 1751 PWs) bands (ev): -56.2637 -56.2637 -29.1240 -29.1240 -20.5758 -20.5758 -20.3189 -20.3189 -4.9230 -4.9230 -0.9584 -0.9584 4.8433 4.8433 5.2713 5.2713 5.4035 5.4035 8.5549 8.5549 9.1520 9.1520 9.8000 9.8000 10.0238 10.0238 10.0595 10.0595 10.1694 10.1694 11.2936 11.2936 11.5204 11.5204 13.3673 13.3673 13.6232 13.6232 13.6425 13.6425 16.3046 16.3046 k = 0.1250 0.0333 0.0201 ( 1748 PWs) bands (ev): -56.2637 -56.2637 -29.1240 -29.1240 -20.5757 -20.5757 -20.3188 -20.3188 -4.9255 -4.9255 -0.9487 -0.9487 4.8079 4.8079 5.2701 5.2701 5.4021 5.4021 8.5839 8.5839 9.1868 9.1868 9.8011 9.8011 10.0392 10.0392 10.0633 10.0633 10.1865 10.1865 11.2711 11.2711 11.4987 11.4987 13.3367 13.3367 13.6189 13.6189 13.6247 13.6247 16.3205 16.3205 k = 0.1071 0.0286 0.0173 ( 1754 PWs) bands (ev): -56.2637 -56.2637 -29.1241 -29.1241 -20.5757 -20.5757 -20.3189 -20.3189 -4.9277 -4.9277 -0.9400 -0.9400 4.7768 4.7768 5.2690 5.2690 5.4008 5.4008 8.6067 8.6067 9.2215 9.2215 9.8018 9.8018 10.0473 10.0473 10.0725 10.0725 10.2023 10.2023 11.2504 11.2504 11.4788 11.4788 13.3041 13.3041 13.6022 13.6022 13.6261 13.6261 16.3348 16.3348 k = 0.0893 0.0238 0.0144 ( 1754 PWs) bands (ev): -56.2637 -56.2637 -29.1241 -29.1241 -20.5757 -20.5757 -20.3189 -20.3189 -4.9297 -4.9297 -0.9324 -0.9324 4.7502 4.7502 5.2681 5.2681 5.3997 5.3997 8.6241 8.6241 9.2543 9.2543 9.8025 9.8025 10.0502 10.0502 10.0854 10.0854 10.2165 10.2165 11.2319 11.2319 11.4611 11.4611 13.2722 13.2722 13.5907 13.5907 13.6273 13.6273 16.3474 16.3474 k = 0.0714 0.0190 0.0115 ( 1760 PWs) bands (ev): -56.2637 -56.2637 -29.1241 -29.1241 -20.5758 -20.5758 -20.3189 -20.3189 -4.9313 -4.9313 -0.9260 -0.9260 4.7282 4.7282 5.2673 5.2673 5.3989 5.3989 8.6371 8.6371 9.2835 9.2835 9.8030 9.8030 10.0511 10.0511 10.0977 10.0977 10.2286 10.2286 11.2161 11.2161 11.4460 11.4460 13.2432 13.2432 13.5828 13.5828 13.6283 13.6283 16.3579 16.3579 k = 0.0536 0.0143 0.0086 ( 1760 PWs) bands (ev): -56.2637 -56.2637 -29.1241 -29.1241 -20.5757 -20.5757 -20.3189 -20.3189 -4.9326 -4.9326 -0.9210 -0.9210 4.7110 4.7110 5.2667 5.2667 5.3982 5.3982 8.6465 8.6465 9.3079 9.3079 9.8034 9.8034 10.0515 10.0515 10.1082 10.1082 10.2385 10.2385 11.2034 11.2034 11.4339 11.4339 13.2189 13.2189 13.5776 13.5776 13.6290 13.6290 16.3663 16.3663 k = 0.0357 0.0095 0.0058 ( 1760 PWs) bands (ev): -56.2637 -56.2637 -29.1241 -29.1241 -20.5757 -20.5757 -20.3189 -20.3189 -4.9335 -4.9335 -0.9173 -0.9173 4.6986 4.6986 5.2663 5.2663 5.3976 5.3976 8.6528 8.6528 9.3261 9.3261 9.8037 9.8037 10.0517 10.0517 10.1160 10.1160 10.2458 10.2458 11.1940 11.1940 11.4249 11.4249 13.2007 13.2007 13.5743 13.5743 13.6296 13.6296 16.3724 16.3724 k = 0.0179 0.0048 0.0029 ( 1754 PWs) bands (ev): -56.2637 -56.2637 -29.1241 -29.1241 -20.5757 -20.5757 -20.3189 -20.3189 -4.9341 -4.9341 -0.9151 -0.9151 4.6912 4.6912 5.2660 5.2660 5.3974 5.3974 8.6565 8.6565 9.3374 9.3374 9.8039 9.8039 10.0518 10.0518 10.1209 10.1209 10.2504 10.2504 11.1883 11.1883 11.4195 11.4195 13.1895 13.1895 13.5725 13.5725 13.6300 13.6300 16.3761 16.3761 k = 0.0000 0.0000 0.0000 ( 1745 PWs) bands (ev): -56.2637 -56.2637 -29.1240 -29.1240 -20.5756 -20.5756 -20.3189 -20.3189 -4.9342 -4.9342 -0.9144 -0.9144 4.6887 4.6887 5.2659 5.2659 5.3973 5.3973 8.6578 8.6578 9.3412 9.3412 9.8039 9.8039 10.0518 10.0518 10.1227 10.1227 10.2519 10.2519 11.1864 11.1864 11.4177 11.4177 13.1857 13.1857 13.5719 13.5719 13.6301 13.6301 16.3774 16.3774 k = 0.0000 0.0000 0.0000 ( 1745 PWs) bands (ev): -56.2637 -56.2637 -29.1240 -29.1240 -20.5756 -20.5756 -20.3189 -20.3189 -4.9342 -4.9342 -0.9144 -0.9144 4.6887 4.6887 5.2659 5.2659 5.3973 5.3973 8.6578 8.6578 9.3412 9.3412 9.8039 9.8039 10.0518 10.0518 10.1227 10.1227 10.2519 10.2519 11.1864 11.1864 11.4177 11.4177 13.1857 13.1857 13.5719 13.5719 13.6301 13.6301 16.3774 16.3774 k = 0.0049-0.0086-0.0164 ( 1747 PWs) bands (ev): -56.2637 -56.2637 -29.1241 -29.1241 -20.5757 -20.5757 -20.3193 -20.3193 -4.9324 -4.9324 -0.9161 -0.9161 4.6900 4.6900 5.2669 5.2669 5.3983 5.3983 8.6582 8.6582 9.3437 9.3437 9.8039 9.8039 10.0518 10.0518 10.1225 10.1225 10.2518 10.2518 11.1811 11.1811 11.4115 11.4115 13.1875 13.1875 13.5763 13.5763 13.6344 13.6344 16.3781 16.3781 k = 0.0099-0.0172-0.0329 ( 1753 PWs) bands (ev): -56.2636 -56.2636 -29.1245 -29.1245 -20.5760 -20.5760 -20.3208 -20.3208 -4.9268 -4.9268 -0.9213 -0.9213 4.6939 4.6939 5.2696 5.2696 5.4013 5.4013 8.6591 8.6591 9.3509 9.3509 9.8039 9.8039 10.0518 10.0518 10.1221 10.1221 10.2513 10.2513 11.1652 11.1652 11.3933 11.3933 13.1925 13.1925 13.5891 13.5891 13.6472 13.6472 16.3802 16.3802 k = 0.0148-0.0259-0.0493 ( 1751 PWs) bands (ev): -56.2635 -56.2635 -29.1250 -29.1250 -20.5764 -20.5764 -20.3231 -20.3231 -4.9175 -4.9175 -0.9299 -0.9299 4.7004 4.7004 5.2742 5.2742 5.4064 5.4064 8.6607 8.6607 9.3629 9.3629 9.8040 9.8040 10.0519 10.0519 10.1214 10.1214 10.2507 10.2507 11.1389 11.1389 11.3640 11.3640 13.2005 13.2005 13.6102 13.6102 13.6681 13.6681 16.3837 16.3837 k = 0.0198-0.0345-0.0658 ( 1757 PWs) bands (ev): -56.2633 -56.2633 -29.1258 -29.1258 -20.5770 -20.5770 -20.3264 -20.3264 -4.9046 -4.9046 -0.9418 -0.9418 4.7094 4.7094 5.2805 5.2805 5.4136 5.4136 8.6628 8.6628 9.3795 9.3795 9.8039 9.8039 10.0519 10.0519 10.1205 10.1205 10.2497 10.2497 11.1025 11.1025 11.3254 11.3254 13.2107 13.2107 13.6390 13.6390 13.6967 13.6967 16.3885 16.3885 k = 0.0247-0.0431-0.0822 ( 1757 PWs) bands (ev): -56.2630 -56.2630 -29.1267 -29.1267 -20.5777 -20.5777 -20.3306 -20.3306 -4.8879 -4.8879 -0.9571 -0.9571 4.7210 4.7210 5.2884 5.2884 5.4232 5.4232 8.6655 8.6655 9.4003 9.4003 9.8039 9.8039 10.0519 10.0519 10.1193 10.1193 10.2486 10.2486 11.0564 11.0564 11.2792 11.2792 13.2226 13.2226 13.6749 13.6749 13.7320 13.7320 16.3945 16.3945 k = 0.0297-0.0517-0.0986 ( 1759 PWs) bands (ev): -56.2627 -56.2627 -29.1279 -29.1279 -20.5787 -20.5787 -20.3356 -20.3356 -4.8677 -4.8677 -0.9755 -0.9755 4.7351 4.7351 5.2977 5.2977 5.4351 5.4351 8.6687 8.6687 9.4251 9.4251 9.8038 9.8038 10.0520 10.0520 10.1179 10.1179 10.2473 10.2473 11.0011 11.0011 11.2274 11.2274 13.2358 13.2358 13.7171 13.7171 13.7732 13.7732 16.4014 16.4014 k = 0.0346-0.0604-0.1151 ( 1759 PWs) bands (ev): -56.2624 -56.2624 -29.1293 -29.1293 -20.5798 -20.5798 -20.3414 -20.3414 -4.8440 -4.8440 -0.9969 -0.9969 4.7517 4.7517 5.3082 5.3082 5.4495 5.4495 8.6721 8.6721 9.4534 9.4534 9.8036 9.8036 10.0522 10.0522 10.1162 10.1162 10.2458 10.2458 10.9373 10.9373 11.1718 11.1718 13.2500 13.2500 13.7647 13.7647 13.8194 13.8194 16.4092 16.4092 k = 0.0396-0.0690-0.1315 ( 1765 PWs) bands (ev): -56.2620 -56.2620 -29.1309 -29.1309 -20.5812 -20.5812 -20.3481 -20.3481 -4.8167 -4.8167 -1.0213 -1.0213 4.7707 4.7707 5.3197 5.3197 5.4666 5.4666 8.6758 8.6758 9.4846 9.4846 9.8033 9.8033 10.0524 10.0524 10.1142 10.1142 10.2442 10.2442 10.8662 10.8662 11.1142 11.1142 13.2650 13.2650 13.8167 13.8167 13.8694 13.8694 16.4177 16.4177 k = 0.0445-0.0776-0.1480 ( 1763 PWs) bands (ev): -56.2615 -56.2615 -29.1326 -29.1326 -20.5828 -20.5828 -20.3554 -20.3554 -4.7860 -4.7860 -1.0484 -1.0484 4.7922 4.7922 5.3322 5.3322 5.4864 5.4864 8.6795 8.6795 9.5179 9.5179 9.8031 9.8031 10.0528 10.0528 10.1121 10.1121 10.2425 10.2425 10.7889 10.7889 11.0557 11.0557 13.2809 13.2809 13.8723 13.8723 13.9225 13.9225 16.4265 16.4265 k = 0.0495-0.0862-0.1644 ( 1765 PWs) bands (ev): -56.2610 -56.2610 -29.1346 -29.1346 -20.5847 -20.5847 -20.3635 -20.3635 -4.7520 -4.7520 -1.0781 -1.0781 4.8160 4.8160 5.3454 5.3454 5.5091 5.5091 8.6829 8.6829 9.5524 9.5524 9.8029 9.8029 10.0532 10.0532 10.1097 10.1097 10.2408 10.2408 10.7070 10.7070 10.9975 10.9975 13.2975 13.2975 13.9303 13.9303 13.9781 13.9781 16.4353 16.4353 k = 0.0544-0.0948-0.1808 ( 1767 PWs) bands (ev): -56.2604 -56.2604 -29.1367 -29.1367 -20.5869 -20.5869 -20.3721 -20.3721 -4.7147 -4.7147 -1.1102 -1.1102 4.8421 4.8421 5.3593 5.3593 5.5346 5.5346 8.6860 8.6860 9.5865 9.5865 9.8031 9.8031 10.0536 10.0536 10.1071 10.1071 10.2392 10.2392 10.6222 10.6222 10.9405 10.9405 13.3151 13.3151 13.9897 13.9897 14.0359 14.0359 16.4440 16.4440 k = 0.0594-0.1035-0.1973 ( 1767 PWs) bands (ev): -56.2598 -56.2598 -29.1390 -29.1390 -20.5894 -20.5894 -20.3812 -20.3812 -4.6743 -4.6743 -1.1445 -1.1445 4.8704 4.8704 5.3737 5.3737 5.5630 5.5630 8.6883 8.6883 9.6186 9.6186 9.8042 9.8042 10.0538 10.0538 10.1043 10.1043 10.2376 10.2376 10.5364 10.5364 10.8858 10.8858 13.3336 13.3336 14.0491 14.0491 14.0958 14.0958 16.4520 16.4520 k = 0.0643-0.1121-0.2137 ( 1763 PWs) bands (ev): -56.2592 -56.2592 -29.1415 -29.1415 -20.5923 -20.5923 -20.3907 -20.3907 -4.6308 -4.6308 -1.1808 -1.1808 4.9010 4.9010 5.3887 5.3887 5.5942 5.5942 8.6894 8.6894 9.6463 9.6463 9.8068 9.8068 10.0531 10.0531 10.1016 10.1016 10.2360 10.2360 10.4520 10.4520 10.8345 10.8345 13.3532 13.3532 14.1072 14.1072 14.1582 14.1582 16.4591 16.4591 k = 0.0693-0.1207-0.2302 ( 1767 PWs) bands (ev): -56.2585 -56.2585 -29.1442 -29.1442 -20.5957 -20.5957 -20.4006 -20.4006 -4.5843 -4.5843 -1.2190 -1.2190 4.9336 4.9336 5.4042 5.4042 5.6280 5.6280 8.6890 8.6890 9.6666 9.6666 9.8118 9.8118 10.0499 10.0499 10.0991 10.0991 10.2341 10.2341 10.3724 10.3724 10.7879 10.7879 13.3739 13.3739 14.1632 14.1632 14.2228 14.2228 16.4648 16.4648 k = 0.0742-0.1293-0.2466 ( 1767 PWs) bands (ev): -56.2577 -56.2577 -29.1470 -29.1470 -20.5996 -20.5996 -20.4108 -20.4108 -4.5351 -4.5351 -1.2587 -1.2587 4.9684 4.9684 5.4201 5.4201 5.6644 5.6644 8.6864 8.6864 9.6777 9.6777 9.8189 9.8189 10.0406 10.0406 10.0981 10.0981 10.2300 10.2300 10.3039 10.3039 10.7476 10.7476 13.3957 13.3957 14.2167 14.2167 14.2896 14.2896 16.4688 16.4688 k = 0.0792-0.1380-0.2630 ( 1769 PWs) bands (ev): -56.2570 -56.2570 -29.1500 -29.1500 -20.6040 -20.6040 -20.4210 -20.4210 -4.4831 -4.4831 -1.2999 -1.2999 5.0050 5.0050 5.4366 5.4366 5.7032 5.7032 8.6812 8.6812 9.6791 9.6791 9.8261 9.8261 10.0201 10.0201 10.0990 10.0990 10.2155 10.2155 10.2610 10.2610 10.7153 10.7153 13.4187 13.4187 14.2676 14.2676 14.3578 14.3578 16.4705 16.4705 k = 0.0841-0.1466-0.2795 ( 1767 PWs) bands (ev): -56.2561 -56.2561 -29.1531 -29.1531 -20.6090 -20.6090 -20.4313 -20.4313 -4.4285 -4.4285 -1.3423 -1.3423 5.0436 5.0436 5.4535 5.4535 5.7442 5.7442 8.6724 8.6724 9.6719 9.6719 9.8295 9.8295 9.9866 9.9866 10.1015 10.1015 10.1897 10.1897 10.2496 10.2496 10.6928 10.6928 13.4430 13.4430 14.3159 14.3159 14.4270 14.4270 16.4697 16.4697 k = 0.0891-0.1552-0.2959 ( 1773 PWs) bands (ev): -56.2553 -56.2553 -29.1564 -29.1564 -20.6148 -20.6148 -20.4414 -20.4414 -4.3715 -4.3715 -1.3856 -1.3856 5.0841 5.0841 5.4709 5.4709 5.7872 5.7872 8.6593 8.6593 9.6572 9.6572 9.8235 9.8235 9.9473 9.9473 10.1033 10.1033 10.1725 10.1725 10.2476 10.2476 10.6818 10.6818 13.4686 13.4686 14.3618 14.3618 14.4967 14.4967 16.4658 16.4658 k = 0.0940-0.1638-0.3124 ( 1773 PWs) bands (ev): -56.2544 -56.2544 -29.1597 -29.1597 -20.6212 -20.6212 -20.4513 -20.4513 -4.3122 -4.3122 -1.4298 -1.4298 5.1262 5.1262 5.4887 5.4887 5.8321 5.8321 8.6412 8.6412 9.6363 9.6363 9.8021 9.8021 9.9159 9.9159 10.1031 10.1031 10.1653 10.1653 10.2474 10.2474 10.6832 10.6832 13.4955 13.4955 14.4052 14.4052 14.5666 14.5666 16.4584 16.4584 k = 0.0990-0.1725-0.3288 ( 1771 PWs) bands (ev): -56.2535 -56.2535 -29.1632 -29.1632 -20.6285 -20.6285 -20.4609 -20.4609 -4.2508 -4.2508 -1.4745 -1.4745 5.1700 5.1700 5.5069 5.5069 5.8785 5.8785 8.6172 8.6172 9.6097 9.6097 9.7661 9.7661 9.8976 9.8976 10.1000 10.1000 10.1643 10.1643 10.2473 10.2473 10.6969 10.6969 13.5237 13.5237 14.4463 14.4463 14.6364 14.6364 16.4472 16.4472 k = 0.1039-0.1811-0.3452 ( 1775 PWs) bands (ev): -56.2526 -56.2526 -29.1668 -29.1668 -20.6366 -20.6366 -20.4701 -20.4701 -4.1873 -4.1873 -1.5196 -1.5196 5.2154 5.2154 5.5255 5.5255 5.9262 5.9262 8.5868 8.5868 9.5786 9.5786 9.7250 9.7250 9.8869 9.8869 10.0944 10.0944 10.1666 10.1666 10.2472 10.2472 10.7215 10.7215 13.5531 13.5531 14.4850 14.4850 14.7060 14.7060 16.4317 16.4317 k = 0.1089-0.1897-0.3617 ( 1773 PWs) bands (ev): -56.2516 -56.2516 -29.1705 -29.1705 -20.6456 -20.6456 -20.4788 -20.4788 -4.1220 -4.1220 -1.5650 -1.5650 5.2622 5.2622 5.5445 5.5445 5.9750 5.9750 8.5497 8.5497 9.5445 9.5445 9.6855 9.6855 9.8790 9.8790 10.0868 10.0868 10.1703 10.1703 10.2476 10.2476 10.7551 10.7551 13.5838 13.5838 14.5214 14.5214 14.7752 14.7752 16.4117 16.4117 k = 0.1138-0.1983-0.3781 ( 1773 PWs) bands (ev): -56.2506 -56.2506 -29.1743 -29.1743 -20.6554 -20.6554 -20.4870 -20.4870 -4.0550 -4.0550 -1.6103 -1.6103 5.3103 5.3103 5.5638 5.5638 6.0244 6.0244 8.5060 8.5060 9.5088 9.5088 9.6502 9.6502 9.8720 9.8720 10.0777 10.0777 10.1746 10.1746 10.2489 10.2489 10.7953 10.7953 13.6158 13.6158 14.5557 14.5557 14.8436 14.8436 16.3868 16.3868 k = 0.1188-0.2069-0.3946 ( 1773 PWs) bands (ev): -56.2496 -56.2496 -29.1782 -29.1782 -20.6660 -20.6660 -20.4946 -20.4946 -3.9865 -3.9865 -1.6555 -1.6555 5.3597 5.3597 5.5834 5.5834 6.0741 6.0741 8.4563 8.4563 9.4725 9.4725 9.6201 9.6201 9.8653 9.8653 10.0675 10.0675 10.1787 10.1787 10.2518 10.2518 10.8400 10.8400 13.6491 13.6491 14.5879 14.5879 14.9113 14.9113 16.3568 16.3568 k = 0.1237-0.2156-0.4110 ( 1769 PWs) bands (ev): -56.2485 -56.2485 -29.1821 -29.1821 -20.6774 -20.6774 -20.5017 -20.5017 -3.9167 -3.9167 -1.7003 -1.7003 5.4100 5.4100 5.6033 5.6033 6.1238 6.1238 8.4015 8.4015 9.4359 9.4359 9.5958 9.5958 9.8587 9.8587 10.0566 10.0566 10.1824 10.1824 10.2566 10.2566 10.8874 10.8874 13.6834 13.6834 14.6183 14.6183 14.9780 14.9780 16.3216 16.3216 k = 0.1287-0.2242-0.4274 ( 1771 PWs) bands (ev): -56.2475 -56.2475 -29.1861 -29.1861 -20.6894 -20.6894 -20.5083 -20.5083 -3.8457 -3.8457 -1.7446 -1.7446 5.4612 5.4612 5.6235 5.6235 6.1729 6.1729 8.3428 8.3428 9.3990 9.3990 9.5775 9.5775 9.8521 9.8521 10.0451 10.0451 10.1855 10.1855 10.2634 10.2634 10.9360 10.9360 13.7187 13.7187 14.6468 14.6468 15.0436 15.0436 16.2809 16.2809 k = 0.1336-0.2328-0.4439 ( 1773 PWs) bands (ev): -56.2465 -56.2465 -29.1901 -29.1901 -20.7020 -20.7020 -20.5145 -20.5145 -3.7738 -3.7738 -1.7883 -1.7883 5.5129 5.5129 5.6440 5.6440 6.2210 6.2210 8.2817 8.2817 9.3618 9.3618 9.5652 9.5652 9.8454 9.8454 10.0332 10.0332 10.1880 10.1880 10.2722 10.2722 10.9848 10.9848 13.7550 13.7550 14.6738 14.6738 15.1077 15.1077 16.2350 16.2350 k = 0.1385-0.2414-0.4603 ( 1771 PWs) bands (ev): -56.2454 -56.2454 -29.1942 -29.1942 -20.7150 -20.7150 -20.5203 -20.5203 -3.7010 -3.7010 -1.8312 -1.8312 5.5648 5.5648 5.6649 5.6649 6.2677 6.2677 8.2197 8.2197 9.3246 9.3246 9.5584 9.5584 9.8388 9.8388 10.0212 10.0212 10.1902 10.1902 10.2828 10.2828 11.0327 11.0327 13.7922 13.7922 14.6994 14.6994 15.1703 15.1703 16.1840 16.1840 k = 0.1435-0.2501-0.4768 ( 1769 PWs) bands (ev): -56.2443 -56.2443 -29.1983 -29.1983 -20.7284 -20.7284 -20.5257 -20.5257 -3.6277 -3.6277 -1.8731 -1.8731 5.6160 5.6160 5.6869 5.6869 6.3123 6.3123 8.1581 8.1581 9.2878 9.2878 9.5563 9.5563 9.8320 9.8320 10.0092 10.0092 10.1920 10.1920 10.2950 10.2950 11.0791 11.0791 13.8300 13.8300 14.7237 14.7237 15.2307 15.2307 16.1285 16.1285 k = 0.1484-0.2587-0.4932 ( 1765 PWs) bands (ev): -56.2432 -56.2432 -29.2024 -29.2024 -20.7420 -20.7420 -20.5309 -20.5309 -3.5540 -3.5540 -1.9139 -1.9139 5.6642 5.6642 5.7118 5.7118 6.3544 6.3544 8.0983 8.0983 9.2518 9.2518 9.5582 9.5582 9.8251 9.8251 9.9972 9.9972 10.1938 10.1938 10.3086 10.3086 11.1233 11.1233 13.8684 13.8684 14.7469 14.7469 15.2886 15.2886 16.0691 16.0691 k = 0.1534-0.2673-0.5096 ( 1761 PWs) bands (ev): -56.2421 -56.2421 -29.2065 -29.2065 -20.7558 -20.7558 -20.5358 -20.5358 -3.4801 -3.4801 -1.9534 -1.9534 5.7034 5.7034 5.7452 5.7452 6.3935 6.3935 8.0416 8.0416 9.2170 9.2170 9.5633 9.5633 9.8179 9.8179 9.9854 9.9854 10.1956 10.1956 10.3234 10.3234 11.1649 11.1649 13.9070 13.9070 14.7690 14.7690 15.3428 15.3428 16.0073 16.0073 k = 0.1583-0.2759-0.5261 ( 1761 PWs) bands (ev): -56.2411 -56.2411 -29.2106 -29.2106 -20.7696 -20.7696 -20.5406 -20.5406 -3.4063 -3.4063 -1.9915 -1.9915 5.7309 5.7309 5.7893 5.7893 6.4293 6.4293 7.9890 7.9890 9.1838 9.1838 9.5710 9.5710 9.8104 9.8104 9.9739 9.9739 10.1975 10.1975 10.3391 10.3391 11.2035 11.2035 13.9458 13.9458 14.7898 14.7898 15.3918 15.3918 15.9454 15.9454 k = 0.1633-0.2845-0.5425 ( 1763 PWs) bands (ev): -56.2400 -56.2400 -29.2147 -29.2147 -20.7835 -20.7835 -20.5452 -20.5452 -3.3327 -3.3327 -2.0282 -2.0282 5.7531 5.7531 5.8370 5.8370 6.4617 6.4617 7.9414 7.9414 9.1525 9.1525 9.5807 9.5807 9.8024 9.8024 9.9628 9.9628 10.1995 10.1995 10.3558 10.3558 11.2388 11.2388 13.9846 13.9846 14.8089 14.8089 15.4327 15.4327 15.8873 15.8873 k = 0.1682-0.2932-0.5590 ( 1761 PWs) bands (ev): -56.2389 -56.2389 -29.2187 -29.2187 -20.7972 -20.7972 -20.5498 -20.5498 -3.2596 -3.2596 -2.0632 -2.0632 5.7734 5.7734 5.8841 5.8841 6.4907 6.4907 7.8995 7.8995 9.1232 9.1232 9.5921 9.5921 9.7939 9.7939 9.9524 9.9524 10.2018 10.2018 10.3733 10.3733 11.2708 11.2708 14.0230 14.0230 14.8255 14.8255 15.4601 15.4601 15.8398 15.8398 k = 0.1732-0.3018-0.5754 ( 1761 PWs) bands (ev): -56.2379 -56.2379 -29.2228 -29.2228 -20.8108 -20.8108 -20.5542 -20.5542 -3.1873 -3.1873 -2.0964 -2.0964 5.7927 5.7927 5.9287 5.9287 6.5169 6.5169 7.8639 7.8639 9.0963 9.0963 9.6045 9.6045 9.7847 9.7847 9.9427 9.9427 10.2042 10.2042 10.3917 10.3917 11.2992 11.2992 14.0611 14.0611 14.8380 14.8380 15.4675 15.4675 15.8121 15.8121 k = 0.1781-0.3104-0.5918 ( 1757 PWs) bands (ev): -56.2368 -56.2368 -29.2267 -29.2267 -20.8241 -20.8241 -20.5587 -20.5587 -3.1160 -3.1160 -2.1277 -2.1277 5.8113 5.8113 5.9694 5.9694 6.5413 6.5413 7.8344 7.8344 9.0718 9.0718 9.6177 9.6177 9.7747 9.7747 9.9341 9.9341 10.2069 10.2069 10.4110 10.4110 11.3241 11.3241 14.0985 14.0985 14.8437 14.8437 15.4528 15.4528 15.8097 15.8097 k = 0.1831-0.3190-0.6083 ( 1755 PWs) bands (ev): -56.2358 -56.2358 -29.2306 -29.2306 -20.8371 -20.8371 -20.5631 -20.5631 -3.0460 -3.0460 -2.1570 -2.1570 5.8292 5.8292 6.0046 6.0046 6.5654 6.5654 7.8109 7.8109 9.0499 9.0499 9.6312 9.6312 9.7640 9.7640 9.9267 9.9267 10.2099 10.2099 10.4309 10.4309 11.3454 11.3454 14.1353 14.1353 14.8384 14.8384 15.4252 15.4252 15.8281 15.8281 k = 0.1880-0.3277-0.6247 ( 1753 PWs) bands (ev): -56.2348 -56.2348 -29.2344 -29.2344 -20.8498 -20.8498 -20.5675 -20.5675 -2.9777 -2.9777 -2.1839 -2.1839 5.8463 5.8463 6.0331 6.0331 6.5908 6.5908 7.7928 7.7928 9.0305 9.0305 9.6445 9.6445 9.7527 9.7527 9.9207 9.9207 10.2129 10.2129 10.4517 10.4517 11.3633 11.3633 14.1714 14.1714 14.8171 14.8171 15.3990 15.3990 15.8591 15.8591 k = 0.1930-0.3363-0.6412 ( 1753 PWs) bands (ev): -56.2338 -56.2338 -29.2382 -29.2382 -20.8622 -20.8622 -20.5720 -20.5720 -2.9113 -2.9113 -2.2085 -2.2085 5.8627 5.8627 6.0540 6.0540 6.6192 6.6192 7.7792 7.7792 9.0138 9.0138 9.6565 9.6565 9.7414 9.7414 9.9161 9.9161 10.2162 10.2162 10.4731 10.4731 11.3778 11.3778 14.2070 14.2070 14.7759 14.7759 15.3850 15.3850 15.8963 15.8963 k = 0.1979-0.3449-0.6576 ( 1751 PWs) bands (ev): -56.2329 -56.2329 -29.2419 -29.2419 -20.8741 -20.8741 -20.5764 -20.5764 -2.8473 -2.8473 -2.2303 -2.2303 5.8782 5.8782 6.0669 6.0669 6.6518 6.6518 7.7690 7.7690 8.9996 8.9996 9.6656 9.6656 9.7317 9.7317 9.9132 9.9132 10.2195 10.2195 10.4952 10.4952 11.3892 11.3892 14.2422 14.2422 14.7145 14.7145 15.3879 15.3879 15.9361 15.9361 k = 0.2029-0.3535-0.6740 ( 1750 PWs) bands (ev): -56.2319 -56.2319 -29.2455 -29.2455 -20.8855 -20.8855 -20.5809 -20.5809 -2.7862 -2.7862 -2.2491 -2.2491 5.8926 5.8926 6.0725 6.0725 6.6893 6.6893 7.7612 7.7612 8.9881 8.9881 9.6681 9.6681 9.7269 9.7269 9.9119 9.9119 10.2228 10.2228 10.5180 10.5180 11.3976 11.3976 14.2771 14.2771 14.6360 14.6360 15.4069 15.4069 15.9767 15.9767 k = 0.2078-0.3621-0.6905 ( 1746 PWs) bands (ev): -56.2310 -56.2310 -29.2489 -29.2489 -20.8964 -20.8964 -20.5854 -20.5854 -2.7286 -2.7286 -2.2643 -2.2643 5.9055 5.9055 6.0722 6.0722 6.7314 6.7314 7.7547 7.7547 8.9792 8.9792 9.6614 9.6614 9.7296 9.7296 9.9124 9.9124 10.2260 10.2260 10.5415 10.5415 11.4031 11.4031 14.3122 14.3122 14.5450 14.5450 15.4391 15.4391 16.0170 16.0170 k = 0.2128-0.3708-0.7069 ( 1748 PWs) bands (ev): -56.2301 -56.2301 -29.2523 -29.2523 -20.9069 -20.9069 -20.5900 -20.5900 -2.6754 -2.6754 -2.2755 -2.2755 5.9163 5.9163 6.0679 6.0679 6.7777 6.7777 7.7481 7.7481 8.9727 8.9727 9.6476 9.6476 9.7373 9.7373 9.9146 9.9146 10.2290 10.2290 10.5657 10.5657 11.4061 11.4061 14.3474 14.3474 14.4459 14.4459 15.4814 15.4814 16.0563 16.0563 k = 0.2177-0.3794-0.7234 ( 1752 PWs) bands (ev): -56.2293 -56.2293 -29.2556 -29.2556 -20.9168 -20.9168 -20.5947 -20.5947 -2.6275 -2.6275 -2.2817 -2.2817 5.9242 5.9242 6.0622 6.0622 6.8272 6.8272 7.7408 7.7408 8.9687 8.9687 9.6299 9.6299 9.7471 9.7471 9.9184 9.9184 10.2318 10.2318 10.5905 10.5905 11.4067 11.4067 14.3373 14.3373 14.3878 14.3878 15.5314 15.5314 16.0942 16.0942 k = 0.2227-0.3880-0.7398 ( 1752 PWs) bands (ev): -56.2285 -56.2285 -29.2587 -29.2587 -20.9261 -20.9261 -20.5993 -20.5993 -2.5862 -2.5862 -2.2820 -2.2820 5.9281 5.9281 6.0576 6.0576 6.8792 6.8792 7.7317 7.7317 8.9669 8.9669 9.6097 9.6097 9.7572 9.7572 9.9239 9.9239 10.2342 10.2342 10.6160 10.6160 11.4053 11.4053 14.2309 14.2309 14.4244 14.4244 15.5872 15.5872 16.1304 16.1304 k = 0.2276-0.3966-0.7562 ( 1752 PWs) bands (ev): -56.2277 -56.2277 -29.2617 -29.2617 -20.9349 -20.9349 -20.6040 -20.6040 -2.5524 -2.5524 -2.2754 -2.2754 5.9274 5.9274 6.0564 6.0564 6.9327 6.9327 7.7202 7.7202 8.9674 8.9674 9.5879 9.5879 9.7670 9.7670 9.9308 9.9308 10.2361 10.2361 10.6419 10.6419 11.4019 11.4019 14.1219 14.1219 14.4645 14.4645 15.6474 15.6474 16.1646 16.1646 k = 0.2326-0.4053-0.7727 ( 1750 PWs) bands (ev): -56.2269 -56.2269 -29.2646 -29.2646 -20.9431 -20.9431 -20.6087 -20.6087 -2.5267 -2.5267 -2.2618 -2.2618 5.9224 5.9224 6.0594 6.0594 6.9872 6.9872 7.7057 7.7057 8.9699 8.9699 9.5649 9.5649 9.7762 9.7762 9.9391 9.9391 10.2374 10.2374 10.6684 10.6684 11.3968 11.3968 14.0129 14.0129 14.5070 14.5070 15.7109 15.7109 16.1967 16.1967 k = 0.2375-0.4139-0.7891 ( 1750 PWs) bands (ev): -56.2262 -56.2262 -29.2673 -29.2673 -20.9507 -20.9507 -20.6134 -20.6134 -2.5082 -2.5082 -2.2419 -2.2419 5.9144 5.9144 6.0662 6.0662 7.0417 7.0417 7.6878 7.6878 8.9744 8.9744 9.5408 9.5408 9.7847 9.7847 9.9484 9.9484 10.2381 10.2381 10.6954 10.6954 11.3904 11.3904 13.9052 13.9052 14.5523 14.5523 15.7766 15.7766 16.2265 16.2265 k = 0.2425-0.4225-0.8056 ( 1754 PWs) bands (ev): -56.2255 -56.2255 -29.2699 -29.2699 -20.9577 -20.9577 -20.6181 -20.6181 -2.4954 -2.4954 -2.2178 -2.2178 5.9053 5.9053 6.0759 6.0759 7.0957 7.0957 7.6665 7.6665 8.9808 8.9808 9.5156 9.5156 9.7926 9.7926 9.9584 9.9584 10.2380 10.2380 10.7227 10.7227 11.3825 11.3825 13.7998 13.7998 14.6006 14.6006 15.8436 15.8436 16.2540 16.2540 k = 0.2474-0.4311-0.8220 ( 1756 PWs) bands (ev): -56.2249 -56.2249 -29.2724 -29.2724 -20.9641 -20.9641 -20.6228 -20.6228 -2.4862 -2.4862 -2.1914 -2.1914 5.8966 5.8966 6.0877 6.0877 7.1483 7.1483 7.6417 7.6417 8.9889 8.9889 9.4898 9.4898 9.8000 9.8000 9.9689 9.9689 10.2370 10.2370 10.7502 10.7502 11.3737 11.3737 13.6975 13.6975 14.6523 14.6523 15.9111 15.9111 16.2790 16.2790 k = 0.2524-0.4398-0.8384 ( 1758 PWs) bands (ev): -56.2243 -56.2243 -29.2747 -29.2747 -20.9699 -20.9699 -20.6275 -20.6275 -2.4791 -2.4791 -2.1646 -2.1646 5.8894 5.8894 6.1010 6.1010 7.1983 7.1983 7.6143 7.6143 8.9985 8.9985 9.4633 9.4633 9.8069 9.8069 9.9795 9.9795 10.2352 10.2352 10.7780 10.7780 11.3638 11.3638 13.5991 13.5991 14.7073 14.7073 15.9780 15.9780 16.3017 16.3017 k = 0.2573-0.4484-0.8549 ( 1760 PWs) bands (ev): -56.2237 -56.2237 -29.2769 -29.2769 -20.9752 -20.9752 -20.6321 -20.6321 -2.4727 -2.4727 -2.1388 -2.1388 5.8846 5.8846 6.1154 6.1154 7.2439 7.2439 7.5855 7.5855 9.0095 9.0095 9.4364 9.4364 9.8135 9.8135 9.9902 9.9902 10.2325 10.2325 10.8057 10.8057 11.3532 11.3532 13.5051 13.5051 14.7660 14.7660 16.0436 16.0436 16.3222 16.3222 k = 0.2622-0.4570-0.8713 ( 1758 PWs) bands (ev): -56.2231 -56.2231 -29.2789 -29.2789 -20.9798 -20.9798 -20.6367 -20.6367 -2.4664 -2.4664 -2.1147 -2.1147 5.8828 5.8828 6.1309 6.1309 7.2816 7.2816 7.5586 7.5586 9.0216 9.0216 9.4093 9.4093 9.8198 9.8198 10.0006 10.0006 10.2289 10.2289 10.8335 10.8335 11.3419 11.3419 13.4163 13.4163 14.8282 14.8282 16.1065 16.1065 16.3409 16.3409 k = 0.2672-0.4656-0.8878 ( 1758 PWs) bands (ev): -56.2226 -56.2226 -29.2807 -29.2807 -20.9839 -20.9839 -20.6411 -20.6411 -2.4596 -2.4596 -2.0931 -2.0931 5.8842 5.8842 6.1474 6.1474 7.3046 7.3046 7.5403 7.5403 9.0345 9.0345 9.3822 9.3822 9.8259 9.8259 10.0105 10.0105 10.2243 10.2243 10.8610 10.8610 11.3300 11.3300 13.3331 13.3331 14.8938 14.8938 16.1652 16.1652 16.3584 16.3584 k = 0.2721-0.4742-0.9042 ( 1754 PWs) bands (ev): -56.2222 -56.2222 -29.2824 -29.2824 -20.9874 -20.9874 -20.6455 -20.6455 -2.4521 -2.4521 -2.0743 -2.0743 5.8892 5.8892 6.1649 6.1649 7.3044 7.3044 7.5390 7.5390 9.0477 9.0477 9.3556 9.3556 9.8317 9.8317 10.0200 10.0200 10.2189 10.2189 10.8882 10.8882 11.3175 11.3175 13.2559 13.2559 14.9626 14.9626 16.2176 16.2176 16.3764 16.3764 k = 0.2771-0.4829-0.9206 ( 1754 PWs) bands (ev): -56.2218 -56.2218 -29.2840 -29.2840 -20.9905 -20.9905 -20.6497 -20.6497 -2.4437 -2.4437 -2.0585 -2.0585 5.8976 5.8976 6.1834 6.1834 7.2790 7.2790 7.5568 7.5568 9.0609 9.0609 9.3299 9.3299 9.8372 9.8372 10.0288 10.0288 10.2127 10.2127 10.9148 10.9148 11.3045 11.3045 13.1852 13.1852 15.0342 15.0342 16.2602 16.2602 16.3976 16.3976 k = 0.2820-0.4915-0.9371 ( 1756 PWs) bands (ev): -56.2214 -56.2214 -29.2854 -29.2854 -20.9931 -20.9931 -20.6538 -20.6538 -2.4344 -2.4344 -2.0458 -2.0458 5.9095 5.9095 6.2032 6.2032 7.2355 7.2355 7.5866 7.5866 9.0728 9.0728 9.3060 9.3060 9.8423 9.8423 10.0370 10.0370 10.2057 10.2057 10.9407 10.9407 11.2912 11.2912 13.1214 13.1214 15.1083 15.1083 16.2895 16.2895 16.4249 16.4249 k = 0.2870-0.5001-0.9535 ( 1752 PWs) bands (ev): -56.2210 -56.2210 -29.2866 -29.2866 -20.9951 -20.9951 -20.6577 -20.6577 -2.4242 -2.4242 -2.0362 -2.0362 5.9246 5.9246 6.2244 6.2244 7.1809 7.1809 7.6220 7.6220 9.0823 9.0823 9.2854 9.2854 9.8471 9.8471 10.0445 10.0445 10.1980 10.1980 10.9656 10.9656 11.2774 11.2774 13.0647 13.0647 15.1842 15.1842 16.3052 16.3052 16.4584 16.4584 k = 0.2919-0.5087-0.9700 ( 1750 PWs) bands (ev): -56.2207 -56.2207 -29.2877 -29.2877 -20.9968 -20.9968 -20.6613 -20.6613 -2.4133 -2.4133 -2.0295 -2.0295 5.9426 5.9426 6.2473 6.2473 7.1190 7.1190 7.6591 7.6591 9.0870 9.0870 9.2700 9.2700 9.8513 9.8513 10.0515 10.0515 10.1898 10.1898 10.9892 10.9892 11.2633 11.2633 13.0155 13.0155 15.2611 15.2611 16.3099 16.3099 16.4949 16.4949 k = 0.2969-0.5174-0.9864 ( 1748 PWs) bands (ev): -56.2205 -56.2205 -29.2887 -29.2887 -20.9981 -20.9981 -20.6647 -20.6647 -2.4019 -2.4019 -2.0254 -2.0254 5.9628 5.9628 6.2722 6.2722 7.0523 7.0523 7.6963 7.6963 9.0849 9.0849 9.2622 9.2622 9.8549 9.8549 10.0579 10.0579 10.1812 10.1812 11.0113 11.0113 11.2489 11.2489 12.9739 12.9739 15.3380 15.3380 16.3068 16.3068 16.5315 16.5315 k = 0.3018-0.5260-1.0028 ( 1748 PWs) bands (ev): -56.2202 -56.2202 -29.2895 -29.2895 -20.9991 -20.9991 -20.6677 -20.6677 -2.3904 -2.3904 -2.0237 -2.0237 5.9846 5.9846 6.2994 6.2994 6.9823 6.9823 7.7326 7.7326 9.0747 9.0747 9.2629 9.2629 9.8576 9.8576 10.0639 10.0639 10.1721 10.1721 11.0314 11.0314 11.2343 11.2343 12.9401 12.9401 15.4138 15.4138 16.2972 16.2972 16.5659 16.5659 k = 0.3068-0.5346-1.0193 ( 1750 PWs) bands (ev): -56.2200 -56.2200 -29.2902 -29.2902 -20.9998 -20.9998 -20.6705 -20.6705 -2.3792 -2.3792 -2.0237 -2.0237 6.0069 6.0069 6.3292 6.3292 6.9103 6.9103 7.7676 7.7676 9.0576 9.0576 9.2711 9.2711 9.8593 9.8593 10.0697 10.0697 10.1629 10.1629 11.0492 11.0492 11.2198 11.2198 12.9141 12.9141 15.4870 15.4870 16.2817 16.2817 16.5939 16.5939 k = 0.3117-0.5432-1.0357 ( 1752 PWs) bands (ev): -56.2199 -56.2199 -29.2908 -29.2908 -21.0002 -21.0002 -20.6728 -20.6728 -2.3690 -2.3690 -2.0248 -2.0248 6.0285 6.0285 6.3621 6.3621 6.8379 6.8379 7.8010 7.8010 9.0354 9.0354 9.2850 9.2850 9.8599 9.8599 10.0752 10.0752 10.1535 10.1535 11.0640 11.0640 11.2057 11.2057 12.8960 12.8960 15.5560 15.5560 16.2602 16.2602 16.5859 16.5859 k = 0.3167-0.5518-1.0522 ( 1756 PWs) bands (ev): -56.2198 -56.2198 -29.2912 -29.2912 -21.0005 -21.0005 -20.6748 -20.6748 -2.3606 -2.3606 -2.0261 -2.0261 6.0477 6.0477 6.3979 6.3979 6.7671 6.7671 7.8327 7.8327 9.0100 9.0100 9.3024 9.3024 9.8591 9.8591 10.0807 10.0807 10.1443 10.1443 11.0750 11.0750 11.1926 11.1926 12.8858 12.8858 15.6189 15.6189 16.2318 16.2318 16.5164 16.5164 k = 0.3216-0.5605-1.0686 ( 1758 PWs) bands (ev): -56.2197 -56.2197 -29.2916 -29.2916 -21.0007 -21.0007 -20.6763 -20.6763 -2.3549 -2.3549 -2.0264 -2.0264 6.0625 6.0625 6.4359 6.4359 6.7009 6.7009 7.8628 7.8628 8.9828 8.9828 9.3223 9.3223 9.8570 9.8570 10.0860 10.0860 10.1355 10.1355 11.0809 11.0809 11.1817 11.1817 12.8831 12.8831 15.6740 15.6740 16.1948 16.1948 16.4390 16.4390 k = 0.3266-0.5691-1.0850 ( 1752 PWs) bands (ev): -56.2196 -56.2196 -29.2917 -29.2917 -21.0007 -21.0007 -20.6772 -20.6772 -2.3530 -2.3530 -2.0248 -2.0248 6.0703 6.0703 6.4726 6.4726 6.6456 6.6456 7.8915 7.8915 8.9543 8.9543 9.3438 9.3438 9.8535 9.8535 10.0906 10.0906 10.1278 10.1278 11.0804 11.0804 11.1743 11.1743 12.8879 12.8879 15.7194 15.7194 16.1477 16.1477 16.3693 16.3693 k = 0.3315-0.5777-1.1015 ( 1748 PWs) bands (ev): -56.2196 -56.2196 -29.2918 -29.2918 -21.0006 -21.0006 -20.6777 -20.6777 -2.3558 -2.3558 -2.0200 -2.0200 6.0675 6.0675 6.4952 6.4952 6.6177 6.6177 7.9187 7.9187 8.9252 8.9252 9.3663 9.3663 9.8486 9.8486 10.0932 10.0932 10.1226 10.1226 11.0731 11.0731 11.1707 11.1707 12.8997 12.8997 15.7538 15.7538 16.0904 16.0904 16.3099 16.3099 k = 0.3365-0.5863-1.1179 ( 1750 PWs) bands (ev): -56.2196 -56.2196 -29.2918 -29.2918 -21.0007 -21.0007 -20.6776 -20.6776 -2.3640 -2.3640 -2.0114 -2.0114 6.0509 6.0509 6.4881 6.4881 6.6362 6.6362 7.9447 7.9447 8.8957 8.8957 9.3894 9.3894 9.8423 9.8423 10.0915 10.0915 10.1224 10.1224 11.0599 11.0599 11.1698 11.1698 12.9180 12.9180 15.7761 15.7761 16.0254 16.0254 16.2595 16.2595 k = 0.3414-0.5950-1.1344 ( 1752 PWs) bands (ev): -56.2196 -56.2196 -29.2917 -29.2917 -21.0007 -21.0007 -20.6770 -20.6770 -2.3776 -2.3776 -1.9987 -1.9987 6.0181 6.0181 6.4713 6.4713 6.6830 6.6830 7.9698 7.9698 8.8660 8.8660 9.4130 9.4130 9.8347 9.8347 10.0858 10.0858 10.1268 10.1268 11.0426 11.0426 11.1703 11.1703 12.9424 12.9424 15.7852 15.7852 15.9576 15.9576 16.2149 16.2149 k = 0.6586-0.4617-1.0538 ( 1752 PWs) bands (ev): -56.2196 -56.2196 -29.2917 -29.2917 -21.0007 -21.0007 -20.6770 -20.6770 -2.3776 -2.3776 -1.9987 -1.9987 6.0181 6.0181 6.4713 6.4713 6.6830 6.6830 7.9698 7.9698 8.8660 8.8660 9.4130 9.4130 9.8347 9.8347 10.0858 10.0858 10.1268 10.1268 11.0426 11.0426 11.1703 11.1703 12.9424 12.9424 15.7852 15.7852 15.9576 15.9576 16.2149 16.2149 k = 0.6536-0.4431-1.0538 ( 1746 PWs) bands (ev): -56.2197 -56.2197 -29.2915 -29.2915 -21.0008 -21.0008 -20.6757 -20.6757 -2.3966 -2.3966 -1.9820 -1.9820 5.9699 5.9699 6.4619 6.4619 6.7404 6.7404 7.9944 7.9944 8.8362 8.8362 9.4369 9.4369 9.8260 9.8260 10.0783 10.0783 10.1340 10.1340 11.0222 11.0222 11.1710 11.1710 12.9724 12.9724 15.7784 15.7784 15.8931 15.8931 16.1735 16.1735 k = 0.6487-0.4245-1.0538 ( 1746 PWs) bands (ev): -56.2198 -56.2198 -29.2912 -29.2912 -21.0011 -21.0011 -20.6739 -20.6739 -2.4202 -2.4202 -1.9617 -1.9617 5.9097 5.9097 6.4618 6.4618 6.8029 6.8029 8.0189 8.0189 8.8064 8.8064 9.4609 9.4609 9.8162 9.8162 10.0701 10.0701 10.1423 10.1423 10.9998 10.9998 11.1711 11.1711 13.0073 13.0073 15.7485 15.7485 15.8424 15.8424 16.1337 16.1337 k = 0.6437-0.4059-1.0538 ( 1744 PWs) bands (ev): -56.2199 -56.2199 -29.2908 -29.2908 -21.0015 -21.0015 -20.6714 -20.6714 -2.4479 -2.4479 -1.9383 -1.9383 5.8411 5.8411 6.4693 6.4693 6.8682 6.8682 8.0436 8.0436 8.7767 8.7767 9.4847 9.4847 9.8058 9.8058 10.0619 10.0619 10.1513 10.1513 10.9756 10.9756 11.1706 11.1706 13.0466 13.0466 15.6944 15.6944 15.8086 15.8086 16.0945 16.0945 k = 0.6388-0.3873-1.0538 ( 1744 PWs) bands (ev): -56.2200 -56.2200 -29.2904 -29.2904 -21.0022 -21.0022 -20.6684 -20.6684 -2.4790 -2.4790 -1.9124 -1.9124 5.7673 5.7673 6.4820 6.4820 6.9349 6.9349 8.0693 8.0693 8.7472 8.7472 9.5081 9.5081 9.7948 9.7948 10.0537 10.0537 10.1609 10.1609 10.9501 10.9501 11.1691 11.1691 13.0896 13.0896 15.6294 15.6294 15.7804 15.7804 16.0556 16.0556 k = 0.6338-0.3687-1.0538 ( 1746 PWs) bands (ev): -56.2201 -56.2201 -29.2899 -29.2899 -21.0030 -21.0030 -20.6648 -20.6648 -2.5128 -2.5128 -1.8846 -1.8846 5.6906 5.6906 6.4984 6.4984 7.0017 7.0017 8.0964 8.0964 8.7179 8.7179 9.5310 9.5310 9.7837 9.7837 10.0458 10.0458 10.1707 10.1707 10.9234 10.9234 11.1669 11.1669 13.1357 13.1357 15.5618 15.5618 15.7511 15.7511 16.0169 16.0169 k = 0.6288-0.3501-1.0538 ( 1746 PWs) bands (ev): -56.2203 -56.2203 -29.2893 -29.2893 -21.0040 -21.0040 -20.6606 -20.6606 -2.5488 -2.5488 -1.8551 -1.8551 5.6126 5.6126 6.5174 6.5174 7.0677 7.0677 8.1257 8.1257 8.6889 8.6889 9.5529 9.5529 9.7728 9.7728 10.0381 10.0381 10.1808 10.1808 10.8958 10.8958 11.1639 11.1639 13.1842 13.1842 15.4943 15.4943 15.7190 15.7190 15.9783 15.9783 k = 0.6239-0.3315-1.0538 ( 1744 PWs) bands (ev): -56.2205 -56.2205 -29.2887 -29.2887 -21.0052 -21.0052 -20.6559 -20.6559 -2.5865 -2.5865 -1.8245 -1.8245 5.5345 5.5345 6.5383 6.5383 7.1316 7.1316 8.1578 8.1578 8.6604 8.6604 9.5734 9.5734 9.7629 9.7629 10.0307 10.0307 10.1909 10.1909 10.8674 10.8674 11.1602 11.1602 13.2347 13.2347 15.4278 15.4278 15.6842 15.6842 15.9399 15.9399 k = 0.6189-0.3129-1.0538 ( 1744 PWs) bands (ev): -56.2206 -56.2206 -29.2881 -29.2881 -21.0066 -21.0066 -20.6507 -20.6507 -2.6255 -2.6255 -1.7929 -1.7929 5.4569 5.4569 6.5606 6.5606 7.1925 7.1925 8.1930 8.1930 8.6324 8.6324 9.5916 9.5916 9.7547 9.7547 10.0237 10.0237 10.2010 10.2010 10.8385 10.8385 11.1560 11.1560 13.2865 13.2865 15.3628 15.3628 15.6469 15.6469 15.9019 15.9019 k = 0.6140-0.2944-1.0538 ( 1740 PWs) bands (ev): -56.2208 -56.2208 -29.2874 -29.2874 -21.0082 -21.0082 -20.6451 -20.6451 -2.6654 -2.6654 -1.7607 -1.7607 5.3804 5.3804 6.5840 6.5840 7.2492 7.2492 8.2319 8.2319 8.6056 8.6056 9.6065 9.6065 9.7495 9.7495 10.0171 10.0171 10.2110 10.2110 10.8092 10.8092 11.1511 11.1511 13.3391 13.3391 15.2994 15.2994 15.6076 15.6076 15.8646 15.8646 k = 0.6090-0.2758-1.0538 ( 1742 PWs) bands (ev): -56.2210 -56.2210 -29.2867 -29.2867 -21.0099 -21.0099 -20.6392 -20.6392 -2.7059 -2.7059 -1.7281 -1.7281 5.3056 5.3056 6.6084 6.6084 7.3010 7.3010 8.2736 8.2736 8.5809 8.5809 9.6165 9.6165 9.7488 9.7488 10.0109 10.0109 10.2207 10.2207 10.7796 10.7796 11.1458 11.1458 13.3920 13.3920 15.2376 15.2376 15.5665 15.5665 15.8280 15.8280 k = 0.6041-0.2572-1.0538 ( 1740 PWs) bands (ev): -56.2213 -56.2213 -29.2859 -29.2859 -21.0118 -21.0118 -20.6328 -20.6328 -2.7466 -2.7466 -1.6953 -1.6953 5.2328 5.2328 6.6337 6.6337 7.3472 7.3472 8.3163 8.3163 8.5606 8.5606 9.6208 9.6208 9.7535 9.7535 10.0051 10.0051 10.2302 10.2302 10.7501 10.7501 11.1401 11.1401 13.4448 13.4448 15.1777 15.1777 15.5240 15.5240 15.7924 15.7924 k = 0.5991-0.2386-1.0538 ( 1746 PWs) bands (ev): -56.2215 -56.2215 -29.2852 -29.2852 -21.0138 -21.0138 -20.6263 -20.6263 -2.7873 -2.7873 -1.6626 -1.6626 5.1622 5.1622 6.6596 6.6596 7.3876 7.3876 8.3541 8.3541 8.5505 8.5505 9.6197 9.6197 9.7635 9.7635 9.9997 9.9997 10.2391 10.2391 10.7208 10.7208 11.1340 11.1340 13.4969 13.4969 15.1195 15.1195 15.4803 15.4803 15.7578 15.7578 k = 0.5942-0.2200-1.0538 ( 1746 PWs) bands (ev): -56.2217 -56.2217 -29.2844 -29.2844 -21.0159 -21.0159 -20.6196 -20.6196 -2.8277 -2.8277 -1.6301 -1.6301 5.0941 5.0941 6.6861 6.6861 7.4222 7.4222 8.3761 8.3761 8.5611 8.5611 9.6146 9.6146 9.7773 9.7773 9.9948 9.9948 10.2477 10.2477 10.6920 10.6920 11.1275 11.1275 13.5480 13.5480 15.0631 15.0631 15.4357 15.4357 15.7247 15.7247 k = 0.5892-0.2014-1.0538 ( 1744 PWs) bands (ev): -56.2219 -56.2219 -29.2837 -29.2837 -21.0181 -21.0181 -20.6127 -20.6127 -2.8675 -2.8675 -1.5980 -1.5980 5.0287 5.0287 6.7133 6.7133 7.4513 7.4513 8.3755 8.3755 8.5986 8.5986 9.6072 9.6072 9.7935 9.7935 9.9904 9.9904 10.2556 10.2556 10.6640 10.6640 11.1207 11.1207 13.5977 13.5977 15.0087 15.0087 15.3904 15.3904 15.6931 15.6931 k = 0.5842-0.1828-1.0538 ( 1744 PWs) bands (ev): -56.2222 -56.2222 -29.2829 -29.2829 -21.0203 -21.0203 -20.6058 -20.6058 -2.9065 -2.9065 -1.5666 -1.5666 4.9661 4.9661 6.7410 6.7410 7.4753 7.4753 8.3589 8.3589 8.6553 8.6553 9.5986 9.5986 9.8109 9.8109 9.9865 9.9865 10.2627 10.2627 10.6370 10.6370 11.1135 11.1135 13.6457 13.6457 14.9562 14.9562 15.3445 15.3445 15.6631 15.6631 k = 0.5793-0.1642-1.0538 ( 1748 PWs) bands (ev): -56.2224 -56.2224 -29.2822 -29.2822 -21.0225 -21.0225 -20.5989 -20.5989 -2.9445 -2.9445 -1.5359 -1.5359 4.9066 4.9066 6.7691 6.7691 7.4949 7.4949 8.3344 8.3344 8.7223 8.7223 9.5897 9.5897 9.8287 9.8287 9.9831 9.9831 10.2688 10.2688 10.6113 10.6113 11.1061 11.1061 13.6917 13.6917 14.9058 14.9058 15.2982 15.2982 15.6348 15.6348 k = 0.5743-0.1456-1.0538 ( 1750 PWs) bands (ev): -56.2226 -56.2226 -29.2815 -29.2815 -21.0247 -21.0247 -20.5921 -20.5921 -2.9813 -2.9813 -1.5062 -1.5062 4.8502 4.8502 6.7976 6.7976 7.5105 7.5105 8.3061 8.3061 8.7943 8.7943 9.5812 9.5812 9.8463 9.8463 9.9805 9.9805 10.2739 10.2739 10.5872 10.5872 11.0983 11.0983 13.7353 13.7353 14.8575 14.8575 15.2518 15.2518 15.6083 15.6083 k = 0.5694-0.1270-1.0538 ( 1744 PWs) bands (ev): -56.2228 -56.2228 -29.2807 -29.2807 -21.0268 -21.0268 -20.5853 -20.5853 -3.0166 -3.0166 -1.4775 -1.4775 4.7971 4.7971 6.8264 6.8264 7.5229 7.5229 8.2756 8.2756 8.8686 8.8686 9.5737 9.5737 9.8634 9.8634 9.9788 9.9788 10.2778 10.2778 10.5650 10.5650 11.0902 11.0902 13.7764 13.7764 14.8115 14.8115 15.2056 15.2056 15.5838 15.5838 k = 0.5644-0.1084-1.0538 ( 1748 PWs) bands (ev): -56.2230 -56.2230 -29.2801 -29.2801 -21.0290 -21.0290 -20.5788 -20.5788 -3.0503 -3.0503 -1.4501 -1.4501 4.7473 4.7473 6.8554 6.8554 7.5326 7.5326 8.2438 8.2438 8.9429 8.9429 9.5675 9.5675 9.8793 9.8793 9.9781 9.9781 10.2803 10.2803 10.5449 10.5449 11.0818 11.0818 13.8148 13.8148 14.7680 14.7680 15.1597 15.1597 15.5611 15.5611 k = 0.5595-0.0898-1.0538 ( 1754 PWs) bands (ev): -56.2233 -56.2233 -29.2795 -29.2795 -21.0310 -21.0310 -20.5726 -20.5726 -3.0823 -3.0823 -1.4241 -1.4241 4.7009 4.7009 6.8844 6.8844 7.5400 7.5400 8.2113 8.2113 9.0154 9.0154 9.5635 9.5635 9.8936 9.8936 9.9790 9.9790 10.2811 10.2811 10.5272 10.5272 11.0731 11.0731 13.8502 13.8502 14.7270 14.7270 15.1147 15.1147 15.5402 15.5402 k = 0.5545-0.0712-1.0538 ( 1758 PWs) bands (ev): -56.2235 -56.2235 -29.2789 -29.2789 -21.0330 -21.0330 -20.5666 -20.5666 -3.1122 -3.1122 -1.3996 -1.3996 4.6580 4.6580 6.9134 6.9134 7.5456 7.5456 8.1785 8.1785 9.0843 9.0843 9.5622 9.5622 9.9056 9.9056 9.9819 9.9819 10.2804 10.2804 10.5120 10.5120 11.0641 11.0641 13.8826 13.8826 14.6887 14.6887 15.0709 15.0709 15.5214 15.5214 k = 0.5496-0.0527-1.0538 ( 1754 PWs) bands (ev): -56.2236 -56.2236 -29.2783 -29.2783 -21.0348 -21.0348 -20.5609 -20.5609 -3.1401 -3.1401 -1.3768 -1.3768 4.6187 4.6187 6.9420 6.9420 7.5499 7.5499 8.1459 8.1459 9.1478 9.1478 9.5647 9.5647 9.9149 9.9149 9.9873 9.9873 10.2780 10.2780 10.4996 10.4996 11.0550 11.0550 13.9119 13.9119 14.6532 14.6532 15.0288 15.0288 15.5043 15.5043 k = 0.5446-0.0341-1.0538 ( 1752 PWs) bands (ev): -56.2238 -56.2238 -29.2777 -29.2777 -21.0365 -21.0365 -20.5556 -20.5556 -3.1657 -3.1657 -1.3558 -1.3558 4.5830 4.5830 6.9701 6.9701 7.5530 7.5530 8.1137 8.1137 9.2037 9.2037 9.5720 9.5720 9.9213 9.9213 9.9954 9.9954 10.2741 10.2741 10.4896 10.4896 11.0457 11.0457 13.9380 13.9380 14.6206 14.6206 14.9889 14.9889 15.4890 15.4890 k = 0.5396-0.0155-1.0538 ( 1750 PWs) bands (ev): -56.2239 -56.2239 -29.2772 -29.2772 -21.0381 -21.0381 -20.5508 -20.5508 -3.1890 -3.1890 -1.3366 -1.3366 4.5509 4.5509 6.9974 6.9974 7.5553 7.5553 8.0824 8.0824 9.2504 9.2504 9.5849 9.5849 9.9252 9.9252 10.0055 10.0055 10.2690 10.2690 10.4818 10.4818 11.0365 11.0365 13.9609 13.9609 14.5912 14.5912 14.9516 14.9516 15.4755 15.4755 k = 0.5347 0.0031-1.0538 ( 1744 PWs) bands (ev): -56.2240 -56.2240 -29.2768 -29.2768 -21.0395 -21.0395 -20.5464 -20.5464 -3.2098 -3.2098 -1.3194 -1.3194 4.5225 4.5225 7.0233 7.0233 7.5569 7.5569 8.0525 8.0525 9.2868 9.2868 9.6036 9.6036 9.9275 9.9275 10.0169 10.0169 10.2630 10.2630 10.4761 10.4761 11.0275 11.0275 13.9806 13.9806 14.5649 14.5649 14.9174 14.9174 15.4638 15.4638 k = 0.5297 0.0217-1.0538 ( 1746 PWs) bands (ev): -56.2242 -56.2242 -29.2764 -29.2764 -21.0407 -21.0407 -20.5425 -20.5425 -3.2280 -3.2280 -1.3044 -1.3044 4.4979 4.4979 7.0476 7.0476 7.5581 7.5581 8.0245 8.0245 9.3132 9.3132 9.6266 9.6266 9.9286 9.9286 10.0288 10.0288 10.2564 10.2564 10.4718 10.4718 11.0187 11.0187 13.9973 13.9973 14.5419 14.5419 14.8868 14.8868 15.4537 15.4537 k = 0.5248 0.0403-1.0538 ( 1744 PWs) bands (ev): -56.2243 -56.2243 -29.2761 -29.2761 -21.0418 -21.0418 -20.5392 -20.5392 -3.2436 -3.2436 -1.2915 -1.2915 4.4770 4.4770 7.0696 7.0696 7.5589 7.5589 7.9990 7.9990 9.3312 9.3312 9.6520 9.6520 9.9290 9.9290 10.0406 10.0406 10.2498 10.2498 10.4688 10.4688 11.0106 11.0106 14.0109 14.0109 14.5223 14.5223 14.8602 14.8602 15.4452 15.4452 k = 0.5198 0.0589-1.0538 ( 1744 PWs) bands (ev): -56.2243 -56.2243 -29.2758 -29.2758 -21.0427 -21.0427 -20.5365 -20.5365 -3.2564 -3.2564 -1.2808 -1.2808 4.4598 4.4598 7.0888 7.0888 7.5596 7.5596 7.9768 7.9768 9.3430 9.3430 9.6765 9.6765 9.9291 9.9291 10.0516 10.0516 10.2435 10.2435 10.4666 10.4666 11.0034 11.0034 14.0218 14.0218 14.5062 14.5062 14.8379 14.8379 15.4383 15.4383 k = 0.5149 0.0775-1.0538 ( 1746 PWs) bands (ev): -56.2244 -56.2244 -29.2756 -29.2756 -21.0434 -21.0434 -20.5343 -20.5343 -3.2664 -3.2664 -1.2725 -1.2725 4.4465 4.4465 7.1046 7.1046 7.5600 7.5600 7.9585 7.9585 9.3504 9.3504 9.6978 9.6978 9.9289 9.9289 10.0613 10.0613 10.2380 10.2380 10.4651 10.4651 10.9973 10.9973 14.0300 14.0300 14.4936 14.4936 14.8204 14.8204 15.4330 15.4330 k = 0.5099 0.0961-1.0538 ( 1746 PWs) bands (ev): -56.2245 -56.2245 -29.2754 -29.2754 -21.0439 -21.0439 -20.5328 -20.5328 -3.2737 -3.2737 -1.2665 -1.2665 4.4370 4.4370 7.1163 7.1163 7.5603 7.5603 7.9449 7.9449 9.3548 9.3548 9.7142 9.7142 9.9288 9.9288 10.0689 10.0689 10.2337 10.2337 10.4642 10.4642 10.9928 10.9928 14.0357 14.0357 14.4846 14.4846 14.8077 14.8077 15.4292 15.4292 k = 0.5050 0.1147-1.0538 ( 1746 PWs) bands (ev): -56.2245 -56.2245 -29.2753 -29.2753 -21.0442 -21.0442 -20.5318 -20.5318 -3.2780 -3.2780 -1.2629 -1.2629 4.4312 4.4312 7.1236 7.1236 7.5605 7.5605 7.9364 7.9364 9.3571 9.3571 9.7245 9.7245 9.9286 9.9286 10.0738 10.0738 10.2309 10.2309 10.4636 10.4636 10.9899 10.9899 14.0391 14.0391 14.4791 14.4791 14.8000 14.8000 15.4269 15.4269 k = 0.5000 0.1333-1.0538 ( 1746 PWs) bands (ev): -56.2245 -56.2245 -29.2753 -29.2753 -21.0443 -21.0443 -20.5315 -20.5315 -3.2794 -3.2794 -1.2617 -1.2617 4.4293 4.4293 7.1261 7.1261 7.5606 7.5606 7.9336 7.9336 9.3578 9.3578 9.7280 9.7280 9.9286 9.9286 10.0755 10.0755 10.2299 10.2299 10.4634 10.4634 10.9889 10.9889 14.0402 14.0402 14.4773 14.4773 14.7974 14.7974 15.4262 15.4262 k = 0.5000 0.1333-1.0538 ( 1746 PWs) bands (ev): -56.2245 -56.2245 -29.2753 -29.2753 -21.0443 -21.0443 -20.5315 -20.5315 -3.2794 -3.2794 -1.2617 -1.2617 4.4293 4.4293 7.1261 7.1261 7.5606 7.5606 7.9336 7.9336 9.3578 9.3578 9.7280 9.7280 9.9286 9.9286 10.0755 10.0755 10.2299 10.2299 10.4634 10.4634 10.9889 10.9889 14.0402 14.0402 14.4773 14.4773 14.7974 14.7974 15.4262 15.4262 k = 0.5159 0.1375-1.0457 ( 1746 PWs) bands (ev): -56.2245 -56.2245 -29.2753 -29.2753 -21.0443 -21.0443 -20.5315 -20.5315 -3.2792 -3.2792 -1.2623 -1.2623 4.4300 4.4300 7.1264 7.1264 7.5575 7.5575 7.9372 7.9372 9.3578 9.3578 9.7214 9.7214 9.9101 9.9101 10.0944 10.0944 10.2351 10.2351 10.4638 10.4638 10.9895 10.9895 14.0260 14.0260 14.4867 14.4867 14.8020 14.8020 15.4261 15.4261 k = 0.5317 0.1417-1.0377 ( 1745 PWs) bands (ev): -56.2245 -56.2245 -29.2753 -29.2753 -21.0442 -21.0442 -20.5315 -20.5315 -3.2784 -3.2784 -1.2640 -1.2640 4.4322 4.4322 7.1273 7.1273 7.5485 7.5485 7.9478 7.9478 9.3575 9.3575 9.7022 9.7022 9.8708 9.8708 10.1347 10.1347 10.2502 10.2502 10.4650 10.4650 10.9912 10.9912 13.9874 13.9874 14.5105 14.5105 14.8161 14.8161 15.4261 15.4261 k = 0.5476 0.1460-1.0296 ( 1745 PWs) bands (ev): -56.2245 -56.2245 -29.2752 -29.2752 -21.0440 -21.0440 -20.5315 -20.5315 -3.2772 -3.2772 -1.2669 -1.2669 4.4357 4.4357 7.1287 7.1287 7.5345 7.5345 7.9644 7.9644 9.3569 9.3569 9.6719 9.6719 9.8266 9.8266 10.1797 10.1797 10.2744 10.2744 10.4673 10.4673 10.9942 10.9942 13.9325 13.9325 14.5400 14.5400 14.8404 14.8404 15.4260 15.4260 k = 0.5634 0.1502-1.0215 ( 1744 PWs) bands (ev): -56.2245 -56.2245 -29.2752 -29.2752 -21.0437 -21.0437 -20.5315 -20.5315 -3.2754 -3.2754 -1.2710 -1.2710 4.4407 4.4407 7.1306 7.1306 7.5166 7.5166 7.9859 7.9859 9.3559 9.3559 9.6327 9.6327 9.7828 9.7828 10.2226 10.2226 10.3058 10.3058 10.4714 10.4714 10.9988 10.9988 13.8680 13.8680 14.5684 14.5684 14.8750 14.8750 15.4259 15.4259 k = 0.5793 0.1544-1.0135 ( 1746 PWs) bands (ev): -56.2246 -56.2246 -29.2751 -29.2751 -21.0434 -21.0434 -20.5315 -20.5315 -3.2732 -3.2732 -1.2761 -1.2761 4.4470 4.4470 7.1331 7.1331 7.4960 7.4960 8.0110 8.0110 9.3541 9.3541 9.5873 9.5873 9.7405 9.7405 10.2615 10.2615 10.3410 10.3410 10.4786 10.4786 11.0055 11.0055 13.7983 13.7983 14.5924 14.5924 14.9188 14.9188 15.4258 15.4258 k = 0.5951 0.1586-1.0054 ( 1748 PWs) bands (ev): -56.2246 -56.2246 -29.2750 -29.2750 -21.0431 -21.0431 -20.5315 -20.5315 -3.2705 -3.2705 -1.2823 -1.2823 4.4546 4.4546 7.1360 7.1360 7.4735 7.4735 8.0388 8.0388 9.3508 9.3508 9.5389 9.5389 9.6999 9.6999 10.2967 10.2967 10.3744 10.3744 10.4910 10.4910 11.0147 11.0147 13.7262 13.7262 14.6119 14.6119 14.9693 14.9693 15.4259 15.4259 k = 0.6110 0.1629-0.9974 ( 1749 PWs) bands (ev): -56.2246 -56.2246 -29.2749 -29.2749 -21.0426 -21.0426 -20.5315 -20.5315 -3.2674 -3.2674 -1.2895 -1.2895 4.4634 4.4634 7.1394 7.1394 7.4497 7.4497 8.0686 8.0686 9.3446 9.3446 9.4908 9.4908 9.6607 9.6607 10.3290 10.3290 10.4008 10.4008 10.5110 10.5110 11.0272 11.0272 13.6536 13.6536 14.6277 14.6277 15.0237 15.0237 15.4261 15.4261 k = 0.6269 0.1671-0.9893 ( 1751 PWs) bands (ev): -56.2247 -56.2247 -29.2747 -29.2747 -21.0421 -21.0421 -20.5315 -20.5315 -3.2638 -3.2638 -1.2976 -1.2976 4.4734 4.4734 7.1431 7.1431 7.4253 7.4253 8.0997 8.0997 9.3322 9.3322 9.4474 9.4474 9.6227 9.6227 10.3582 10.3582 10.4189 10.4189 10.5381 10.5381 11.0435 11.0435 13.5817 13.5817 14.6411 14.6411 15.0797 15.0797 15.4266 15.4266 k = 0.6427 0.1713-0.9812 ( 1753 PWs) bands (ev): -56.2247 -56.2247 -29.2746 -29.2746 -21.0416 -21.0416 -20.5315 -20.5315 -3.2599 -3.2599 -1.3066 -1.3066 4.4846 4.4846 7.1472 7.1472 7.4006 7.4006 8.1316 8.1316 9.3084 9.3084 9.4148 9.4148 9.5861 9.5861 10.3831 10.3831 10.4325 10.4325 10.5680 10.5680 11.0643 11.0643 13.5116 13.5116 14.6530 14.6530 15.1354 15.1354 15.4274 15.4274 k = 0.6586 0.1755-0.9732 ( 1759 PWs) bands (ev): -56.2248 -56.2248 -29.2745 -29.2745 -21.0409 -21.0409 -20.5315 -20.5315 -3.2557 -3.2557 -1.3164 -1.3164 4.4967 4.4967 7.1515 7.1515 7.3757 7.3757 8.1636 8.1636 9.2716 9.2716 9.3951 9.3951 9.5511 9.5511 10.4013 10.4013 10.4470 10.4470 10.5968 10.5968 11.0896 11.0896 13.4442 13.4442 14.6642 14.6642 15.1892 15.1892 15.4289 15.4289 k = 0.6586 0.1755-0.9732 ( 1759 PWs) bands (ev): -56.2248 -56.2248 -29.2745 -29.2745 -21.0409 -21.0409 -20.5315 -20.5315 -3.2557 -3.2557 -1.3164 -1.3164 4.4967 4.4967 7.1515 7.1515 7.3757 7.3757 8.1636 8.1636 9.2716 9.2716 9.3951 9.3951 9.5511 9.5511 10.4013 10.4013 10.4470 10.4470 10.5968 10.5968 11.0896 11.0896 13.4442 13.4442 14.6642 14.6642 15.1892 15.1892 15.4289 15.4289 k = 0.6557 0.1748-0.9544 ( 1757 PWs) bands (ev): -56.2249 -56.2249 -29.2737 -29.2737 -21.0381 -21.0381 -20.5314 -20.5314 -3.2512 -3.2512 -1.3348 -1.3348 4.5150 4.5150 7.1492 7.1492 7.3451 7.3451 8.1874 8.1874 9.2603 9.2603 9.3899 9.3899 9.5351 9.5351 10.4032 10.4032 10.4444 10.4444 10.5931 10.5931 11.1168 11.1168 13.3954 13.3954 14.6270 14.6270 15.2398 15.2398 15.4352 15.4352 k = 0.6529 0.1740-0.9355 ( 1751 PWs) bands (ev): -56.2252 -56.2252 -29.2727 -29.2727 -21.0344 -21.0344 -20.5313 -20.5313 -3.2458 -3.2458 -1.3578 -1.3578 4.5378 4.5378 7.1452 7.1452 7.3128 7.3128 8.2046 8.2046 9.2507 9.2507 9.3840 9.3840 9.5201 9.5201 10.4020 10.4020 10.4419 10.4419 10.5909 10.5909 11.1431 11.1431 13.3436 13.3436 14.6002 14.6002 15.2870 15.2870 15.4455 15.4455 k = 0.6501 0.1733-0.9167 ( 1759 PWs) bands (ev): -56.2255 -56.2255 -29.2716 -29.2716 -21.0300 -21.0300 -20.5312 -20.5312 -3.2394 -3.2394 -1.3853 -1.3853 4.5648 4.5648 7.1396 7.1396 7.2793 7.2793 8.2147 8.2147 9.2431 9.2431 9.3769 9.3769 9.5069 9.5069 10.3979 10.3979 10.4394 10.4394 10.5900 10.5900 11.1675 11.1675 13.2883 13.2883 14.5851 14.5851 15.3295 15.3295 15.4608 15.4608 k = 0.6473 0.1725-0.8979 ( 1760 PWs) bands (ev): -56.2258 -56.2258 -29.2702 -29.2702 -21.0247 -21.0247 -20.5310 -20.5310 -3.2322 -3.2322 -1.4169 -1.4169 4.5956 4.5956 7.1319 7.1319 7.2453 7.2453 8.2174 8.2174 9.2379 9.2379 9.3680 9.3680 9.4964 9.4964 10.3919 10.3919 10.4368 10.4368 10.5903 10.5903 11.1897 11.1897 13.2297 13.2297 14.5819 14.5819 15.3660 15.3660 15.4817 15.4817 k = 0.6444 0.1718-0.8791 ( 1760 PWs) bands (ev): -56.2262 -56.2262 -29.2687 -29.2687 -21.0186 -21.0186 -20.5308 -20.5308 -3.2243 -3.2243 -1.4523 -1.4523 4.6299 4.6299 7.1219 7.1219 7.2116 7.2116 8.2124 8.2124 9.2349 9.2349 9.3572 9.3572 9.4892 9.4892 10.3846 10.3846 10.4339 10.4339 10.5917 10.5917 11.2092 11.2092 13.1685 13.1685 14.5904 14.5904 15.3959 15.3959 15.5086 15.5086 k = 0.6416 0.1710-0.8603 ( 1758 PWs) bands (ev): -56.2267 -56.2267 -29.2669 -29.2669 -21.0117 -21.0117 -20.5306 -20.5306 -3.2158 -3.2158 -1.4910 -1.4910 4.6671 4.6671 7.1089 7.1089 7.1791 7.1791 8.2001 8.2001 9.2338 9.2338 9.3445 9.3445 9.4855 9.4855 10.3767 10.3767 10.4305 10.4305 10.5938 10.5938 11.2252 11.2252 13.1061 13.1061 14.6095 14.6095 15.4204 15.4204 15.5402 15.5402 k = 0.6388 0.1703-0.8415 ( 1758 PWs) bands (ev): -56.2272 -56.2272 -29.2649 -29.2649 -21.0041 -21.0041 -20.5303 -20.5303 -3.2071 -3.2071 -1.5326 -1.5326 4.7069 4.7069 7.0919 7.0919 7.1493 7.1493 8.1809 8.1809 9.2339 9.2339 9.3308 9.3308 9.4850 9.4850 10.3685 10.3685 10.4266 10.4266 10.5964 10.5964 11.2371 11.2371 13.0440 13.0440 14.6378 14.6378 15.4410 15.4410 15.5744 15.5744 k = 0.6359 0.1695-0.8226 ( 1755 PWs) bands (ev): -56.2277 -56.2277 -29.2627 -29.2627 -20.9957 -20.9957 -20.5300 -20.5300 -3.1983 -3.1983 -1.5765 -1.5765 4.7485 4.7485 7.0703 7.0703 7.1232 7.1232 8.1557 8.1557 9.2343 9.2343 9.3171 9.3171 9.4875 9.4875 10.3604 10.3604 10.4223 10.4223 10.5995 10.5995 11.2440 11.2440 12.9839 12.9839 14.6740 14.6740 15.4593 15.4593 15.6098 15.6098 k = 0.6331 0.1687-0.8038 ( 1757 PWs) bands (ev): -56.2283 -56.2283 -29.2604 -29.2604 -20.9866 -20.9866 -20.5297 -20.5297 -3.1899 -3.1899 -1.6222 -1.6222 4.7914 4.7914 7.0446 7.0446 7.1004 7.1004 8.1253 8.1253 9.2339 9.2339 9.3047 9.3047 9.4922 9.4922 10.3524 10.3524 10.4176 10.4176 10.6028 10.6028 11.2449 11.2449 12.9277 12.9277 14.7164 14.7164 15.4759 15.4759 15.6454 15.6454 k = 0.6303 0.1680-0.7850 ( 1759 PWs) bands (ev): -56.2290 -56.2290 -29.2579 -29.2579 -20.9768 -20.9768 -20.5293 -20.5293 -3.1821 -3.1821 -1.6690 -1.6690 4.8350 4.8350 7.0169 7.0169 7.0793 7.0793 8.0907 8.0907 9.2315 9.2315 9.2947 9.2947 9.4988 9.4988 10.3447 10.3447 10.4127 10.4127 10.6064 10.6064 11.2387 11.2387 12.8771 12.8771 14.7636 14.7636 15.4911 15.4911 15.6807 15.6807 k = 0.6274 0.1672-0.7662 ( 1761 PWs) bands (ev): -56.2297 -56.2297 -29.2552 -29.2552 -20.9663 -20.9663 -20.5289 -20.5289 -3.1754 -3.1754 -1.7162 -1.7162 4.8786 4.8786 6.9887 6.9887 7.0586 7.0586 8.0531 8.0531 9.2265 9.2265 9.2881 9.2881 9.5069 9.5069 10.3372 10.3372 10.4078 10.4078 10.6103 10.6103 11.2245 11.2245 12.8338 12.8338 14.8140 14.8140 15.5050 15.5050 15.7157 15.7157 k = 0.6246 0.1665-0.7474 ( 1756 PWs) bands (ev): -56.2304 -56.2304 -29.2523 -29.2523 -20.9552 -20.9552 -20.5283 -20.5283 -3.1703 -3.1703 -1.7630 -1.7630 4.9214 4.9214 6.9608 6.9608 7.0378 7.0378 8.0135 8.0135 9.2195 9.2195 9.2843 9.2843 9.5159 9.5159 10.3301 10.3301 10.4031 10.4031 10.6145 10.6145 11.2014 11.2014 12.7989 12.7989 14.8666 14.8666 15.5175 15.5175 15.7504 15.7504 k = 0.6218 0.1657-0.7286 ( 1754 PWs) bands (ev): -56.2312 -56.2312 -29.2493 -29.2493 -20.9434 -20.9434 -20.5278 -20.5278 -3.1674 -3.1674 -1.8085 -1.8085 4.9628 4.9628 6.9330 6.9330 7.0170 7.0170 7.9732 7.9732 9.2118 9.2118 9.2822 9.2822 9.5256 9.5256 10.3229 10.3229 10.3987 10.3987 10.6190 10.6190 11.1689 11.1689 12.7733 12.7733 14.9202 14.9202 15.5282 15.5282 15.7848 15.7848 k = 0.6189 0.1650-0.7097 ( 1754 PWs) bands (ev): -56.2320 -56.2320 -29.2462 -29.2462 -20.9311 -20.9311 -20.5271 -20.5271 -3.1674 -3.1674 -1.8520 -1.8520 5.0021 5.0021 6.9050 6.9050 6.9967 6.9967 7.9335 7.9335 9.2045 9.2045 9.2808 9.2808 9.5356 9.5356 10.3156 10.3156 10.3950 10.3950 10.6238 10.6238 11.1270 11.1270 12.7573 12.7573 14.9737 14.9737 15.5370 15.5370 15.8190 15.8190 k = 0.6161 0.1642-0.6909 ( 1758 PWs) bands (ev): -56.2328 -56.2328 -29.2429 -29.2429 -20.9183 -20.9183 -20.5265 -20.5265 -3.1710 -3.1710 -1.8923 -1.8923 5.0387 5.0387 6.8757 6.8757 6.9776 6.9776 7.8957 7.8957 9.1984 9.1984 9.2792 9.2792 9.5455 9.5455 10.3080 10.3080 10.3920 10.3920 10.6288 10.6288 11.0759 11.0759 12.7506 12.7506 15.0263 15.0263 15.5435 15.5435 15.8532 15.8532 k = 0.6133 0.1635-0.6721 ( 1762 PWs) bands (ev): -56.2337 -56.2337 -29.2395 -29.2395 -20.9049 -20.9049 -20.5257 -20.5257 -3.1789 -3.1789 -1.9286 -1.9286 5.0720 5.0720 6.8443 6.8443 6.9601 6.9601 7.8613 7.8613 9.1942 9.1942 9.2772 9.2772 9.5551 9.5551 10.2999 10.2999 10.3901 10.3901 10.6343 10.6343 11.0164 11.0164 12.7525 12.7525 15.0770 15.0770 15.5476 15.5476 15.8874 15.8874 k = 0.6104 0.1627-0.6533 ( 1759 PWs) bands (ev): -56.2346 -56.2346 -29.2360 -29.2360 -20.8911 -20.8911 -20.5248 -20.5248 -3.1918 -3.1918 -1.9600 -1.9600 5.1016 5.1016 6.8103 6.8103 6.9440 6.9440 7.8320 7.8320 9.1921 9.1921 9.2745 9.2745 9.5643 9.5643 10.2913 10.2913 10.3894 10.3894 10.6400 10.6400 10.9499 10.9499 12.7621 12.7621 15.1252 15.1252 15.5492 15.5492 15.9216 15.9216 k = 0.6076 0.1620-0.6345 ( 1759 PWs) bands (ev): -56.2355 -56.2355 -29.2324 -29.2324 -20.8768 -20.8768 -20.5238 -20.5238 -3.2103 -3.2103 -1.9858 -1.9858 5.1272 5.1272 6.7733 6.7733 6.9286 6.9286 7.8095 7.8095 9.1921 9.1921 9.2712 9.2712 9.5727 9.5727 10.2819 10.2819 10.3900 10.3900 10.6453 10.6453 10.8779 10.8779 12.7782 12.7782 15.1702 15.1702 15.5481 15.5481 15.9558 15.9558 k = 0.6048 0.1612-0.6157 ( 1761 PWs) bands (ev): -56.2365 -56.2365 -29.2287 -29.2287 -20.8622 -20.8622 -20.5227 -20.5227 -3.2347 -3.2347 -2.0053 -2.0053 5.1485 5.1485 6.7335 6.7335 6.9127 6.9127 7.7955 7.7955 9.1943 9.1943 9.2673 9.2673 9.5802 9.5802 10.2715 10.2715 10.3920 10.3920 10.6486 10.6486 10.8035 10.8035 12.7996 12.7996 15.2114 15.2114 15.5445 15.5445 15.9899 15.9899 k = 0.6019 0.1604-0.5968 ( 1757 PWs) bands (ev): -56.2374 -56.2374 -29.2249 -29.2249 -20.8473 -20.8473 -20.5214 -20.5214 -3.2652 -3.2652 -2.0181 -2.0181 5.1658 5.1658 6.6911 6.6911 6.8947 6.8947 7.7918 7.7918 9.1985 9.1985 9.2629 9.2629 9.5865 9.5865 10.2602 10.2602 10.3954 10.3954 10.6413 10.6413 10.7366 10.7366 12.8252 12.8252 15.2478 15.2478 15.5388 15.5388 16.0237 16.0237 k = 0.5991 0.1597-0.5780 ( 1754 PWs) bands (ev): -56.2384 -56.2384 -29.2210 -29.2210 -20.8321 -20.8321 -20.5200 -20.5200 -3.3018 -3.3018 -2.0244 -2.0244 5.1790 5.1790 6.6464 6.6464 6.8736 6.8736 7.7994 7.7994 9.2040 9.2040 9.2587 9.2587 9.5915 9.5915 10.2474 10.2474 10.4002 10.4002 10.5969 10.5969 10.7056 10.7056 12.8538 12.8538 15.2785 15.2785 15.5316 15.5316 16.0570 16.0570 k = 0.5963 0.1589-0.5592 ( 1754 PWs) bands (ev): -56.2394 -56.2394 -29.2171 -29.2171 -20.8167 -20.8167 -20.5185 -20.5185 -3.3440 -3.3440 -2.0241 -2.0241 5.1884 5.1884 6.5996 6.5996 6.8484 6.8484 7.8189 7.8189 9.2093 9.2093 9.2558 9.2558 9.5945 9.5945 10.2327 10.2327 10.4062 10.4062 10.5223 10.5223 10.7053 10.7053 12.8846 12.8846 15.3017 15.3017 15.5245 15.5245 16.0893 16.0893 k = 0.5934 0.1582-0.5404 ( 1756 PWs) bands (ev): -56.2405 -56.2405 -29.2132 -29.2132 -20.8012 -20.8012 -20.5167 -20.5167 -3.3914 -3.3914 -2.0178 -2.0178 5.1945 5.1945 6.5511 6.5511 6.8187 6.8187 7.8502 7.8502 9.2120 9.2120 9.2568 9.2568 9.5953 9.5953 10.2146 10.2146 10.4123 10.4123 10.4438 10.4438 10.7137 10.7137 12.9167 12.9167 15.3152 15.3152 15.5193 15.5193 16.1204 16.1204 k = 0.5906 0.1574-0.5216 ( 1756 PWs) bands (ev): -56.2415 -56.2415 -29.2092 -29.2092 -20.7857 -20.7857 -20.5147 -20.5147 -3.4434 -3.4434 -2.0058 -2.0058 5.1976 5.1976 6.5011 6.5011 6.7849 6.7849 7.8928 7.8928 9.2096 9.2096 9.2638 9.2638 9.5929 9.5929 10.1900 10.1900 10.3655 10.3655 10.4245 10.4245 10.7254 10.7254 12.9494 12.9494 15.3170 15.3170 15.5181 15.5181 16.1499 16.1499 k = 0.5878 0.1567-0.5027 ( 1757 PWs) bands (ev): -56.2425 -56.2425 -29.2052 -29.2052 -20.7702 -20.7702 -20.5124 -20.5124 -3.4993 -3.4993 -1.9889 -1.9889 5.1983 5.1983 6.4500 6.4500 6.7474 6.7474 7.9456 7.9456 9.2027 9.2027 9.2758 9.2758 9.5862 9.5862 10.1534 10.1534 10.3045 10.3045 10.4344 10.4344 10.7393 10.7393 12.9822 12.9822 15.3061 15.3061 15.5217 15.5217 16.1773 16.1773 k = 0.5850 0.1559-0.4839 ( 1759 PWs) bands (ev): -56.2436 -56.2436 -29.2011 -29.2011 -20.7548 -20.7548 -20.5098 -20.5098 -3.5583 -3.5583 -1.9676 -1.9676 5.1970 5.1970 6.3981 6.3981 6.7067 6.7067 8.0073 8.0073 9.1928 9.1928 9.2910 9.2910 9.5736 9.5736 10.1020 10.1020 10.2623 10.2623 10.4463 10.4463 10.7550 10.7550 13.0147 13.0147 15.2837 15.2837 15.5288 15.5288 16.2024 16.2024 k = 0.5821 0.1552-0.4651 ( 1762 PWs) bands (ev): -56.2446 -56.2446 -29.1971 -29.1971 -20.7397 -20.7397 -20.5069 -20.5069 -3.6199 -3.6199 -1.9425 -1.9425 5.1943 5.1943 6.3455 6.3455 6.6638 6.6638 8.0767 8.0767 9.1806 9.1806 9.3078 9.3078 9.5534 9.5534 10.0433 10.0433 10.2349 10.2349 10.4598 10.4598 10.7725 10.7725 13.0466 13.0466 15.2520 15.2520 15.5373 15.5373 16.2247 16.2247 k = 0.5793 0.1544-0.4463 ( 1763 PWs) bands (ev): -56.2457 -56.2457 -29.1931 -29.1931 -20.7249 -20.7249 -20.5036 -20.5036 -3.6832 -3.6832 -1.9142 -1.9142 5.1904 5.1904 6.2926 6.2926 6.6192 6.6192 8.1523 8.1523 9.1663 9.1663 9.3248 9.3248 9.5239 9.5239 9.9876 9.9876 10.2154 10.2154 10.4749 10.4749 10.7917 10.7917 13.0776 13.0776 15.2128 15.2128 15.5452 15.5452 16.2439 16.2439 k = 0.5765 0.1537-0.4275 ( 1765 PWs) bands (ev): -56.2467 -56.2467 -29.1891 -29.1891 -20.7105 -20.7105 -20.4998 -20.4998 -3.7478 -3.7478 -1.8832 -1.8832 5.1860 5.1860 6.2396 6.2396 6.5736 6.5736 8.2327 8.2327 9.1493 9.1493 9.3390 9.3390 9.4867 9.4867 9.9415 9.9415 10.1997 10.1997 10.4919 10.4919 10.8126 10.8126 13.1075 13.1075 15.1673 15.1673 15.5511 15.5511 16.2599 16.2599 k = 0.5736 0.1529-0.4087 ( 1767 PWs) bands (ev): -56.2478 -56.2478 -29.1851 -29.1851 -20.6966 -20.6966 -20.4955 -20.4955 -3.8132 -3.8132 -1.8500 -1.8500 5.1814 5.1814 6.1868 6.1868 6.5275 6.5275 8.3167 8.3167 9.1285 9.1285 9.3417 9.3417 9.4516 9.4516 9.9070 9.9070 10.1861 10.1861 10.5108 10.5108 10.8354 10.8354 13.1363 13.1363 15.1164 15.1164 15.5540 15.5540 16.2724 16.2724 k = 0.5708 0.1521-0.3898 ( 1767 PWs) bands (ev): -56.2488 -56.2488 -29.1812 -29.1812 -20.6834 -20.6834 -20.4906 -20.4906 -3.8789 -3.8789 -1.8149 -1.8149 5.1769 5.1769 6.1343 6.1343 6.4814 6.4814 8.4027 8.4027 9.1015 9.1015 9.3170 9.3170 9.4394 9.4394 9.8832 9.8832 10.1738 10.1738 10.5317 10.5317 10.8601 10.8601 13.1639 13.1639 15.0610 15.0610 15.5532 15.5532 16.2813 16.2813 k = 0.5680 0.1514-0.3710 ( 1769 PWs) bands (ev): -56.2498 -56.2498 -29.1773 -29.1773 -20.6709 -20.6709 -20.4851 -20.4851 -3.9444 -3.9444 -1.7785 -1.7785 5.1728 5.1728 6.0823 6.0823 6.4355 6.4355 8.4888 8.4888 9.0647 9.0647 9.2727 9.2727 9.4494 9.4494 9.8678 9.8678 10.1625 10.1625 10.5550 10.5550 10.8868 10.8868 13.1903 13.1903 15.0014 15.0014 15.5481 15.5481 16.2867 16.2867 k = 0.5651 0.1506-0.3522 ( 1769 PWs) bands (ev): -56.2508 -56.2508 -29.1735 -29.1735 -20.6593 -20.6593 -20.4788 -20.4788 -4.0094 -4.0094 -1.7409 -1.7409 5.1694 5.1694 6.0312 6.0312 6.3903 6.3903 8.5721 8.5721 9.0157 9.0157 9.2300 9.2300 9.4679 9.4679 9.8584 9.8584 10.1519 10.1519 10.5808 10.5808 10.9155 10.9155 13.2156 13.2156 14.9381 14.9381 15.5382 15.5382 16.2886 16.2886 k = 0.5623 0.1499-0.3334 ( 1769 PWs) bands (ev): -56.2518 -56.2518 -29.1698 -29.1698 -20.6486 -20.6486 -20.4720 -20.4720 -4.0736 -4.0736 -1.7027 -1.7027 5.1670 5.1670 5.9810 5.9810 6.3460 6.3460 8.6457 8.6457 8.9596 8.9596 9.1973 9.1973 9.4890 9.4890 9.8533 9.8533 10.1421 10.1421 10.6094 10.6094 10.9465 10.9465 13.2398 13.2398 14.8716 14.8716 15.5232 15.5232 16.2871 16.2871 k = 0.5595 0.1491-0.3146 ( 1772 PWs) bands (ev): -56.2527 -56.2527 -29.1662 -29.1662 -20.6389 -20.6389 -20.4644 -20.4644 -4.1367 -4.1367 -1.6640 -1.6640 5.1656 5.1656 5.9320 5.9320 6.3028 6.3028 8.6897 8.6897 8.9187 8.9187 9.1744 9.1744 9.5111 9.5111 9.8510 9.8510 10.1328 10.1328 10.6410 10.6410 10.9795 10.9795 13.2629 13.2629 14.8023 14.8023 15.5028 15.5028 16.2826 16.2826 k = 0.5566 0.1484-0.2958 ( 1767 PWs) bands (ev): -56.2537 -56.2537 -29.1626 -29.1626 -20.6302 -20.6302 -20.4562 -20.4562 -4.1983 -4.1983 -1.6252 -1.6252 5.1656 5.1656 5.8843 5.8843 6.2608 6.2608 8.6704 8.6704 8.9291 8.9291 9.1603 9.1603 9.5333 9.5333 9.8509 9.8509 10.1242 10.1242 10.6763 10.6763 11.0148 11.0148 13.2851 13.2851 14.7304 14.7304 15.4769 15.4769 16.2752 16.2752 k = 0.5538 0.1476-0.2769 ( 1769 PWs) bands (ev): -56.2546 -56.2546 -29.1592 -29.1592 -20.6224 -20.6224 -20.4474 -20.4474 -4.2583 -4.2583 -1.5865 -1.5865 5.1669 5.1669 5.8381 5.8381 6.2203 6.2203 8.6017 8.6017 8.9750 8.9750 9.1569 9.1569 9.5552 9.5552 9.8522 9.8522 10.1163 10.1163 10.7151 10.7151 11.0523 11.0523 13.3064 13.3064 14.6565 14.6565 15.4452 15.4452 16.2652 16.2652 k = 0.5510 0.1469-0.2581 ( 1768 PWs) bands (ev): -56.2554 -56.2554 -29.1559 -29.1559 -20.6156 -20.6156 -20.4381 -20.4381 -4.3164 -4.3164 -1.5481 -1.5481 5.1696 5.1696 5.7935 5.7935 6.1813 6.1813 8.5150 8.5150 9.0174 9.0174 9.1722 9.1722 9.5763 9.5763 9.8546 9.8546 10.1089 10.1089 10.7579 10.7579 11.0920 11.0920 13.3267 13.3267 14.5808 14.5808 15.4080 15.4080 16.2530 16.2530 k = 0.5481 0.1461-0.2393 ( 1770 PWs) bands (ev): -56.2563 -56.2563 -29.1527 -29.1527 -20.6096 -20.6096 -20.4286 -20.4286 -4.3725 -4.3725 -1.5104 -1.5104 5.1739 5.1739 5.7508 5.7508 6.1440 6.1440 8.4222 8.4222 9.0376 9.0376 9.2127 9.2127 9.5965 9.5965 9.8579 9.8579 10.1022 10.1022 10.8050 10.8050 11.1338 11.1338 13.3463 13.3463 14.5037 14.5037 15.3652 15.3652 16.2390 16.2390 k = 0.5453 0.1453-0.2205 ( 1767 PWs) bands (ev): -56.2571 -56.2571 -29.1496 -29.1496 -20.6044 -20.6044 -20.4188 -20.4188 -4.4262 -4.4262 -1.4735 -1.4735 5.1797 5.1797 5.7100 5.7100 6.1085 6.1085 8.3275 8.3275 9.0408 9.0408 9.2691 9.2691 9.6157 9.6157 9.8619 9.8619 10.0962 10.0962 10.8563 10.8563 11.1777 11.1777 13.3650 13.3650 14.4258 14.4258 15.3172 15.3172 16.2235 16.2235 k = 0.5425 0.1446-0.2017 ( 1767 PWs) bands (ev): -56.2578 -56.2578 -29.1467 -29.1467 -20.5998 -20.5998 -20.4089 -20.4089 -4.4775 -4.4775 -1.4377 -1.4377 5.1869 5.1869 5.6713 5.6713 6.0749 6.0749 8.2330 8.2330 9.0367 9.0367 9.3296 9.3296 9.6336 9.6336 9.8665 9.8665 10.0907 10.0907 10.9119 10.9119 11.2236 11.2236 13.3829 13.3829 14.3474 14.3474 15.2644 15.2644 16.2068 16.2068 k = 0.5396 0.1438-0.1829 ( 1765 PWs) bands (ev): -56.2586 -56.2586 -29.1439 -29.1439 -20.5959 -20.5959 -20.3991 -20.3991 -4.5262 -4.5262 -1.4031 -1.4031 5.1954 5.1954 5.6348 5.6348 6.0431 6.0431 8.1398 8.1398 9.0298 9.0298 9.3886 9.3886 9.6501 9.6501 9.8717 9.8717 10.0858 10.0858 10.9715 10.9715 11.2714 11.2714 13.4000 13.4000 14.2689 14.2689 15.2072 15.2072 16.1892 16.1892 k = 0.5368 0.1431-0.1640 ( 1769 PWs) bands (ev): -56.2593 -56.2593 -29.1413 -29.1413 -20.5926 -20.5926 -20.3895 -20.3895 -4.5722 -4.5722 -1.3699 -1.3699 5.2052 5.2052 5.6007 5.6007 6.0134 6.0134 8.0487 8.0487 9.0220 9.0220 9.4436 9.4436 9.6652 9.6652 9.8773 9.8773 10.0814 10.0814 11.0346 11.0346 11.3208 11.3208 13.4162 13.4162 14.1909 14.1909 15.1464 15.1464 16.1711 16.1711 k = 0.5340 0.1423-0.1452 ( 1769 PWs) bands (ev): -56.2599 -56.2599 -29.1388 -29.1388 -20.5896 -20.5896 -20.3801 -20.3801 -4.6153 -4.6153 -1.3384 -1.3384 5.2160 5.2160 5.5691 5.5691 5.9856 5.9856 7.9607 7.9607 9.0140 9.0140 9.4935 9.4935 9.6787 9.6787 9.8835 9.8835 10.0777 10.0777 11.1005 11.1005 11.3718 11.3718 13.4315 13.4315 14.1139 14.1139 15.0826 15.0826 16.1527 16.1527 k = 0.5311 0.1416-0.1264 ( 1765 PWs) bands (ev): -56.2605 -56.2605 -29.1365 -29.1365 -20.5871 -20.5871 -20.3712 -20.3712 -4.6553 -4.6553 -1.3087 -1.3087 5.2276 5.2276 5.5402 5.5402 5.9600 5.9600 7.8762 7.8762 9.0062 9.0062 9.5380 9.5380 9.6908 9.6908 9.8900 9.8900 10.0746 10.0746 11.1683 11.1683 11.4241 11.4241 13.4457 13.4457 14.0384 14.0384 15.0167 15.0167 16.1344 16.1344 k = 0.5283 0.1408-0.1076 ( 1767 PWs) bands (ev): -56.2611 -56.2611 -29.1344 -29.1344 -20.5849 -20.5849 -20.3627 -20.3627 -4.6923 -4.6923 -1.2810 -1.2810 5.2394 5.2394 5.5142 5.5142 5.9365 5.9365 7.7959 7.7959 8.9988 8.9988 9.5768 9.5768 9.7014 9.7014 9.8968 9.8968 10.0719 10.0719 11.2366 11.2366 11.4774 11.4774 13.4587 13.4587 13.9653 13.9653 14.9497 14.9497 16.1165 16.1165 k = 0.5255 0.1401-0.0888 ( 1765 PWs) bands (ev): -56.2616 -56.2616 -29.1325 -29.1325 -20.5831 -20.5831 -20.3549 -20.3549 -4.7260 -4.7260 -1.2555 -1.2555 5.2513 5.2513 5.4913 5.4913 5.9152 5.9152 7.7204 7.7204 8.9919 8.9919 9.6104 9.6104 9.7106 9.7106 9.9038 9.9038 10.0697 10.0697 11.3040 11.3040 11.5314 11.5314 13.4703 13.4703 13.8951 13.8951 14.8826 14.8826 16.0992 16.0992 k = 0.5227 0.1393-0.0699 ( 1765 PWs) bands (ev): -56.2620 -56.2620 -29.1308 -29.1308 -20.5815 -20.5815 -20.3476 -20.3476 -4.7564 -4.7564 -1.2322 -1.2322 5.2625 5.2625 5.4716 5.4716 5.8960 5.8960 7.6505 7.6505 8.9856 8.9856 9.6390 9.6390 9.7184 9.7184 9.9109 9.9109 10.0679 10.0679 11.3690 11.3690 11.5856 11.5856 13.4801 13.4801 13.8290 13.8290 14.8167 14.8167 16.0828 16.0828 k = 0.5198 0.1386-0.0511 ( 1765 PWs) bands (ev): -56.2624 -56.2624 -29.1292 -29.1292 -20.5802 -20.5802 -20.3411 -20.3411 -4.7834 -4.7834 -1.2114 -1.2114 5.2726 5.2726 5.4556 5.4556 5.8791 5.8791 7.5866 7.5866 8.9799 8.9799 9.6628 9.6628 9.7249 9.7249 9.9177 9.9177 10.0664 10.0664 11.4300 11.4300 11.6394 11.6394 13.4879 13.4879 13.7681 13.7681 14.7533 14.7533 16.0676 16.0676 k = 0.5170 0.1378-0.0323 ( 1768 PWs) bands (ev): -56.2628 -56.2628 -29.1279 -29.1279 -20.5791 -20.5791 -20.3354 -20.3354 -4.8070 -4.8070 -1.1931 -1.1931 5.2810 5.2810 5.4432 5.4432 5.8643 5.8643 7.5295 7.5295 8.9750 8.9750 9.6823 9.6823 9.7303 9.7303 9.9242 9.9242 10.0653 10.0653 11.4856 11.4856 11.6916 11.6916 13.4927 13.4927 13.7139 13.7139 14.6939 14.6939 16.0539 16.0539 k = 0.5142 0.1370-0.0135 ( 1768 PWs) bands (ev): -56.2631 -56.2631 -29.1268 -29.1268 -20.5782 -20.5782 -20.3305 -20.3305 -4.8271 -4.8271 -1.1774 -1.1774 5.2873 5.2873 5.4346 5.4346 5.8519 5.8519 7.4799 7.4799 8.9707 8.9707 9.6980 9.6980 9.7348 9.7348 9.9300 9.9300 10.0644 10.0644 11.5344 11.5344 11.7407 11.7407 13.4937 13.4937 13.6685 13.6685 14.6399 14.6399 16.0418 16.0418 k = 0.5113 0.1363 0.0053 ( 1766 PWs) bands (ev): -56.2633 -56.2633 -29.1258 -29.1258 -20.5774 -20.5774 -20.3264 -20.3264 -4.8435 -4.8435 -1.1644 -1.1644 5.2914 5.2914 5.4294 5.4294 5.8417 5.8417 7.4382 7.4382 8.9672 8.9672 9.7103 9.7103 9.7383 9.7383 9.9351 9.9351 10.0638 10.0638 11.5757 11.5757 11.7849 11.7849 13.4899 13.4899 13.6339 13.6339 14.5929 14.5929 16.0316 16.0316 k = 0.5085 0.1355 0.0241 ( 1764 PWs) bands (ev): -56.2635 -56.2635 -29.1251 -29.1251 -20.5769 -20.5769 -20.3231 -20.3231 -4.8564 -4.8564 -1.1543 -1.1543 5.2936 5.2936 5.4267 5.4267 5.8338 5.8338 7.4051 7.4051 8.9645 8.9645 9.7193 9.7193 9.7411 9.7411 9.9392 9.9392 10.0633 10.0633 11.6086 11.6086 11.8222 11.8222 13.4813 13.4813 13.6110 13.6110 14.5544 14.5544 16.0235 16.0235 k = 0.5057 0.1348 0.0430 ( 1764 PWs) bands (ev): -56.2637 -56.2637 -29.1246 -29.1246 -20.5765 -20.5765 -20.3208 -20.3208 -4.8656 -4.8656 -1.1470 -1.1470 5.2946 5.2946 5.4258 5.4258 5.8281 5.8281 7.3811 7.3811 8.9626 8.9626 9.7255 9.7255 9.7432 9.7432 9.9423 9.9423 10.0630 10.0630 11.6326 11.6326 11.8505 11.8505 13.4708 13.4708 13.5981 13.5981 14.5258 14.5258 16.0176 16.0176 k = 0.5028 0.1340 0.0618 ( 1764 PWs) bands (ev): -56.2637 -56.2637 -29.1243 -29.1243 -20.5762 -20.5762 -20.3194 -20.3194 -4.8711 -4.8711 -1.1426 -1.1426 5.2948 5.2948 5.4256 5.4256 5.8247 5.8247 7.3665 7.3665 8.9614 8.9614 9.7290 9.7290 9.7445 9.7445 9.9441 9.9441 10.0629 10.0629 11.6472 11.6472 11.8682 11.8682 13.4624 13.4624 13.5920 13.5920 14.5081 14.5081 16.0140 16.0140 k = 0.5000 0.1333 0.0806 ( 1764 PWs) bands (ev): -56.2638 -56.2638 -29.1242 -29.1242 -20.5762 -20.5762 -20.3190 -20.3190 -4.8730 -4.8730 -1.1411 -1.1411 5.2949 5.2949 5.4257 5.4257 5.8236 5.8236 7.3616 7.3616 8.9610 8.9610 9.7302 9.7302 9.7449 9.7449 9.9447 9.9447 10.0628 10.0628 11.6521 11.6521 11.8743 11.8743 13.4592 13.4592 13.5903 13.5903 14.5021 14.5021 16.0128 16.0128 k = 0.5000-0.8713-0.5269 ( 1772 PWs) bands (ev): -56.2246 -56.2246 -29.2754 -29.2754 -21.0445 -21.0445 -20.5317 -20.5317 -3.2077 -3.2077 -1.3829 -1.3829 4.6028 4.6028 7.2273 7.2273 7.2336 7.2336 8.4143 8.4143 8.7424 8.7424 9.1868 9.1868 9.4011 9.4011 10.4342 10.4342 10.6188 10.6188 10.8379 10.8379 11.4895 11.4895 12.9587 12.9587 15.0542 15.0542 15.3929 15.3929 15.9114 15.9114 k = 0.5167-0.8643-0.5226 ( 1772 PWs) bands (ev): -56.2246 -56.2246 -29.2754 -29.2754 -21.0445 -21.0445 -20.5317 -20.5317 -3.2079 -3.2079 -1.3826 -1.3826 4.6023 4.6023 7.2276 7.2276 7.2336 7.2336 8.4133 8.4133 8.7442 8.7442 9.1879 9.1879 9.4012 9.4012 10.4342 10.4342 10.6186 10.6186 10.8373 10.8373 11.4877 11.4877 12.9602 12.9602 15.0526 15.0526 15.3928 15.3928 15.9069 15.9069 k = 0.5334-0.8573-0.5184 ( 1772 PWs) bands (ev): -56.2246 -56.2246 -29.2754 -29.2754 -21.0445 -21.0445 -20.5317 -20.5317 -3.2085 -3.2085 -1.3817 -1.3817 4.6010 4.6010 7.2279 7.2279 7.2338 7.2338 8.4104 8.4104 8.7496 8.7496 9.1911 9.1911 9.4016 9.4016 10.4341 10.4341 10.6180 10.6180 10.8354 10.8354 11.4824 11.4824 12.9645 12.9645 15.0480 15.0480 15.3925 15.3925 15.8937 15.8937 k = 0.5501-0.8503-0.5142 ( 1770 PWs) bands (ev): -56.2246 -56.2246 -29.2754 -29.2754 -21.0444 -21.0444 -20.5317 -20.5317 -3.2095 -3.2095 -1.3803 -1.3803 4.5987 4.5987 7.2274 7.2274 7.2352 7.2352 8.4055 8.4055 8.7585 8.7585 9.1965 9.1965 9.4022 9.4022 10.4340 10.4340 10.6168 10.6168 10.8322 10.8322 11.4738 11.4738 12.9718 12.9718 15.0403 15.0403 15.3921 15.3921 15.8727 15.8727 k = 0.5668-0.8432-0.5099 ( 1768 PWs) bands (ev): -56.2246 -56.2246 -29.2754 -29.2754 -21.0444 -21.0444 -20.5316 -20.5316 -3.2109 -3.2109 -1.3783 -1.3783 4.5956 4.5956 7.2258 7.2258 7.2381 7.2381 8.3989 8.3989 8.7709 8.7709 9.2040 9.2040 9.4031 9.4031 10.4339 10.4339 10.6151 10.6151 10.8278 10.8278 11.4618 11.4618 12.9819 12.9819 15.0297 15.0297 15.3915 15.3915 15.8449 15.8449 k = 0.5835-0.8362-0.5057 ( 1765 PWs) bands (ev): -56.2246 -56.2246 -29.2753 -29.2753 -21.0443 -21.0443 -20.5316 -20.5316 -3.2126 -3.2126 -1.3758 -1.3758 4.5917 4.5917 7.2233 7.2233 7.2422 7.2422 8.3907 8.3907 8.7865 8.7865 9.2134 9.2134 9.4041 9.4041 10.4337 10.4337 10.6128 10.6128 10.8222 10.8222 11.4465 11.4465 12.9949 12.9949 15.0164 15.0164 15.3907 15.3907 15.8118 15.8118 k = 0.6002-0.8292-0.5014 ( 1768 PWs) bands (ev): -56.2246 -56.2246 -29.2753 -29.2753 -21.0442 -21.0442 -20.5316 -20.5316 -3.2147 -3.2147 -1.3728 -1.3728 4.5871 4.5871 7.2201 7.2201 7.2473 7.2473 8.3810 8.3810 8.8053 8.8053 9.2246 9.2246 9.4054 9.4054 10.4335 10.4335 10.6097 10.6097 10.8154 10.8154 11.4282 11.4282 13.0106 13.0106 15.0003 15.0003 15.3898 15.3898 15.7745 15.7745 k = 0.6168-0.8222-0.4972 ( 1769 PWs) bands (ev): -56.2246 -56.2246 -29.2753 -29.2753 -21.0440 -21.0440 -20.5316 -20.5316 -3.2171 -3.2171 -1.3694 -1.3694 4.5817 4.5817 7.2163 7.2163 7.2534 7.2534 8.3700 8.3700 8.8272 8.8272 9.2376 9.2376 9.4069 9.4069 10.4331 10.4331 10.6057 10.6057 10.8076 10.8076 11.4070 11.4070 13.0291 13.0291 14.9819 14.9819 15.3887 15.3887 15.7344 15.7344 k = 0.6335-0.8152-0.4930 ( 1765 PWs) bands (ev): -56.2246 -56.2246 -29.2752 -29.2752 -21.0439 -21.0439 -20.5316 -20.5316 -3.2197 -3.2197 -1.3656 -1.3656 4.5758 4.5758 7.2121 7.2121 7.2603 7.2603 8.3578 8.3578 8.8521 8.8521 9.2522 9.2522 9.4088 9.4088 10.4328 10.4328 10.6007 10.6007 10.7988 10.7988 11.3833 11.3833 13.0502 13.0502 14.9614 14.9614 15.3873 15.3873 15.6924 15.6924 k = 0.6502-0.8082-0.4887 ( 1769 PWs) bands (ev): -56.2246 -56.2246 -29.2752 -29.2752 -21.0437 -21.0437 -20.5316 -20.5316 -3.2227 -3.2227 -1.3614 -1.3614 4.5693 4.5693 7.2075 7.2075 7.2680 7.2680 8.3444 8.3444 8.8798 8.8798 9.2681 9.2681 9.4110 9.4110 10.4323 10.4323 10.5944 10.5944 10.7890 10.7890 11.3573 11.3573 13.0740 13.0740 14.9389 14.9389 15.3856 15.3856 15.6495 15.6495 k = 0.6669-0.8012-0.4845 ( 1767 PWs) bands (ev): -56.2246 -56.2246 -29.2751 -29.2751 -21.0435 -21.0435 -20.5316 -20.5316 -3.2258 -3.2258 -1.3570 -1.3570 4.5624 4.5624 7.2024 7.2024 7.2764 7.2764 8.3301 8.3301 8.9102 8.9102 9.2849 9.2849 9.4138 9.4138 10.4317 10.4317 10.5867 10.5867 10.7781 10.7781 11.3293 11.3293 13.1004 13.1004 14.9149 14.9149 15.3831 15.3831 15.6066 15.6066 k = 0.6836-0.7941-0.4802 ( 1761 PWs) bands (ev): -56.2246 -56.2246 -29.2751 -29.2751 -21.0433 -21.0433 -20.5316 -20.5316 -3.2290 -3.2290 -1.3524 -1.3524 4.5551 4.5551 7.1972 7.1972 7.2855 7.2855 8.3148 8.3148 8.9434 8.9434 9.3023 9.3023 9.4176 9.4176 10.4309 10.4309 10.5775 10.5775 10.7662 10.7662 11.3000 11.3000 13.1293 13.1293 14.8896 14.8896 15.3794 15.3794 15.5648 15.5648 k = 0.7003-0.7871-0.4760 ( 1765 PWs) bands (ev): -56.2246 -56.2246 -29.2750 -29.2750 -21.0431 -21.0431 -20.5316 -20.5316 -3.2324 -3.2324 -1.3477 -1.3477 4.5476 4.5476 7.1916 7.1916 7.2951 7.2951 8.2985 8.2985 8.9790 8.9790 9.3195 9.3195 9.4228 9.4228 10.4300 10.4300 10.5665 10.5665 10.7529 10.7529 11.2697 11.2697 13.1606 13.1606 14.8633 14.8633 15.3732 15.3732 15.5257 15.5257 k = 0.7170-0.7801-0.4717 ( 1763 PWs) bands (ev): -56.2247 -56.2247 -29.2749 -29.2749 -21.0428 -21.0428 -20.5316 -20.5316 -3.2359 -3.2359 -1.3428 -1.3428 4.5400 4.5400 7.1859 7.1859 7.3054 7.3054 8.2815 8.2815 9.0170 9.0170 9.3357 9.3357 9.4305 9.4305 10.4288 10.4288 10.5537 10.5537 10.7381 10.7381 11.2393 11.2393 13.1944 13.1944 14.8363 14.8363 15.3629 15.3629 15.4914 15.4914 k = 0.7337-0.7731-0.4675 ( 1763 PWs) bands (ev): -56.2247 -56.2247 -29.2749 -29.2749 -21.0426 -21.0426 -20.5316 -20.5316 -3.2393 -3.2393 -1.3380 -1.3380 4.5323 4.5323 7.1801 7.1801 7.3161 7.3161 8.2637 8.2637 9.0570 9.0570 9.3497 9.3497 9.4415 9.4415 10.4273 10.4273 10.5391 10.5391 10.7213 10.7213 11.2092 11.2092 13.2305 13.2305 14.8086 14.8086 15.3458 15.3458 15.4648 15.4648 k = 0.7504-0.7661-0.4633 ( 1763 PWs) bands (ev): -56.2247 -56.2247 -29.2748 -29.2748 -21.0423 -21.0423 -20.5315 -20.5315 -3.2428 -3.2428 -1.3333 -1.3333 4.5246 4.5246 7.1743 7.1743 7.3273 7.3273 8.2451 8.2451 9.0990 9.0990 9.3611 9.3611 9.4567 9.4567 10.4252 10.4252 10.5228 10.5228 10.7020 10.7020 11.1804 11.1804 13.2689 13.2689 14.7806 14.7806 15.3208 15.3208 15.4473 15.4473 k = 0.7671-0.7591-0.4590 ( 1760 PWs) bands (ev): -56.2247 -56.2247 -29.2747 -29.2747 -21.0420 -21.0420 -20.5315 -20.5315 -3.2462 -3.2462 -1.3287 -1.3287 4.5172 4.5172 7.1684 7.1684 7.3389 7.3389 8.2258 8.2258 9.1425 9.1425 9.3699 9.3699 9.4759 9.4759 10.4224 10.4224 10.5049 10.5049 10.6800 10.6800 11.1534 11.1534 13.3096 13.3096 14.7522 14.7522 15.2899 15.2899 15.4374 15.4374 k = 0.7838-0.7521-0.4548 ( 1758 PWs) bands (ev): -56.2247 -56.2247 -29.2746 -29.2746 -21.0416 -21.0416 -20.5315 -20.5315 -3.2495 -3.2495 -1.3243 -1.3243 4.5099 4.5099 7.1627 7.1627 7.3508 7.3508 8.2058 8.2058 9.1867 9.1867 9.3772 9.3772 9.4985 9.4985 10.4182 10.4182 10.4857 10.4857 10.6550 10.6550 11.1291 11.1291 13.3524 13.3524 14.7234 14.7234 15.2563 15.2563 15.4322 15.4322 k = 0.8005-0.7450-0.4505 ( 1756 PWs) bands (ev): -56.2247 -56.2247 -29.2745 -29.2745 -21.0413 -21.0413 -20.5315 -20.5315 -3.2527 -3.2527 -1.3202 -1.3202 4.5031 4.5031 7.1570 7.1570 7.3631 7.3631 8.1850 8.1850 9.2306 9.2306 9.3847 9.3847 9.5238 9.5238 10.4118 10.4118 10.4660 10.4660 10.6270 10.6270 11.1078 11.1078 13.3973 13.3973 14.6941 14.6941 15.2222 15.2222 15.4297 15.4297 k = 0.8172-0.7380-0.4463 ( 1759 PWs) bands (ev): -56.2248 -56.2248 -29.2745 -29.2745 -21.0409 -21.0409 -20.5315 -20.5315 -3.2557 -3.2557 -1.3164 -1.3164 4.4967 4.4967 7.1515 7.1515 7.3757 7.3757 8.1636 8.1636 9.2716 9.2716 9.3951 9.3951 9.5511 9.5511 10.4013 10.4013 10.4470 10.4470 10.5968 10.5968 11.0896 11.0896 13.4442 13.4442 14.6642 14.6642 15.1892 15.1892 15.4289 15.4289 Writing output data file TaCuN2.save init_run : 0.44s CPU 0.66s WALL ( 1 calls) electrons : 111.54s CPU 113.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.03s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 111.53s CPU 113.62s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.04s WALL ( 383 calls) cegterg : 97.65s CPU 98.88s WALL ( 383 calls) Called by sum_band: Called by *egterg: h_psi : 77.42s CPU 78.59s WALL ( 5219 calls) s_psi : 2.90s CPU 2.90s WALL ( 5219 calls) g_psi : 0.10s CPU 0.08s WALL ( 4453 calls) cdiaghg : 23.81s CPU 24.02s WALL ( 4836 calls) cegterg:over : 2.04s CPU 2.09s WALL ( 4453 calls) cegterg:upda : 1.23s CPU 1.33s WALL ( 4453 calls) cegterg:last : 1.02s CPU 0.98s WALL ( 1146 calls) cdiaghg:chol : 1.29s CPU 1.28s WALL ( 4836 calls) cdiaghg:inve : 0.67s CPU 0.67s WALL ( 4836 calls) cdiaghg:para : 1.62s CPU 1.42s WALL ( 9672 calls) Called by h_psi: h_psi:vloc : 73.32s CPU 74.29s WALL ( 5219 calls) h_psi:vnl : 4.04s CPU 4.25s WALL ( 5219 calls) add_vuspsi : 2.06s CPU 2.21s WALL ( 5219 calls) General routines calbec : 1.98s CPU 2.02s WALL ( 5219 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 68.17s CPU 69.27s WALL ( 593416 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.18s WALL ( 766 calls) Parallel routines fft_scatter : 18.68s CPU 18.64s WALL ( 593439 calls) PWSCF : 2m 4.16s CPU 2m33.24s WALL This run was terminated on: 18: 2:51 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=