Program PWSCF v.5.1.1 starts on 27Jul2015 at 13:37:23 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./MoSe2.save/ file Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 58 37 11 1161 601 101 Max 59 38 12 1163 615 103 Sum 1881 1213 369 37191 19459 3247 bravais-lattice index = 14 lattice parameter (alat) = 12.7323 a.u. unit-cell volume = 409.4003 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 307.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.732283 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.880636 celldm(5)= 0.880636 celldm(6)= 0.880636 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.880636 0.473794 0.000000 ) a(3) = ( 0.880636 0.221861 0.418639 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.858688 -1.118541 ) b(2) = ( 0.000000 2.110621 -1.118541 ) b(3) = ( 0.000000 0.000000 2.388693 ) PseudoPot. # 1 for Mo read from file: /home/autes/Pseudo/Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 20113fa3d0a6ce27e798500ceb8a7ae4 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1229 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 Se read from file: /home/autes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 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 Mo 14.00 95.94000 Mo( 1.00) Se 6.00 78.96000 Se( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 361 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 2) = ( 0.0089286 -0.0165954 -0.0099870), wk = 0.0027701 k( 3) = ( 0.0178571 -0.0331909 -0.0199739), wk = 0.0027701 k( 4) = ( 0.0267857 -0.0497863 -0.0299609), wk = 0.0027701 k( 5) = ( 0.0357143 -0.0663817 -0.0399479), wk = 0.0027701 k( 6) = ( 0.0446429 -0.0829772 -0.0499349), wk = 0.0027701 k( 7) = ( 0.0535714 -0.0995726 -0.0599219), wk = 0.0027701 k( 8) = ( 0.0625000 -0.1161680 -0.0699088), wk = 0.0027701 k( 9) = ( 0.0714286 -0.1327634 -0.0798958), wk = 0.0027701 k( 10) = ( 0.0803571 -0.1493589 -0.0898828), wk = 0.0027701 k( 11) = ( 0.0892857 -0.1659543 -0.0998697), wk = 0.0027701 k( 12) = ( 0.0982143 -0.1825497 -0.1098567), wk = 0.0027701 k( 13) = ( 0.1071429 -0.1991452 -0.1198437), wk = 0.0027701 k( 14) = ( 0.1160714 -0.2157406 -0.1298307), wk = 0.0027701 k( 15) = ( 0.1250000 -0.2323360 -0.1398177), wk = 0.0027701 k( 16) = ( 0.1339286 -0.2489314 -0.1498046), wk = 0.0027701 k( 17) = ( 0.1428571 -0.2655269 -0.1597916), wk = 0.0027701 k( 18) = ( 0.1517857 -0.2821223 -0.1697786), wk = 0.0027701 k( 19) = ( 0.1607143 -0.2987177 -0.1797656), wk = 0.0027701 k( 20) = ( 0.1696429 -0.3153132 -0.1897525), wk = 0.0027701 k( 21) = ( 0.1785714 -0.3319086 -0.1997395), wk = 0.0027701 k( 22) = ( 0.1875000 -0.3485040 -0.2097265), wk = 0.0027701 k( 23) = ( 0.1964286 -0.3650995 -0.2197135), wk = 0.0027701 k( 24) = ( 0.2053571 -0.3816949 -0.2297004), wk = 0.0027701 k( 25) = ( 0.2142857 -0.3982903 -0.2396874), wk = 0.0027701 k( 26) = ( 0.2232143 -0.4148858 -0.2496744), wk = 0.0027701 k( 27) = ( 0.2321429 -0.4314812 -0.2596614), wk = 0.0027701 k( 28) = ( 0.2410714 -0.4480766 -0.2696483), wk = 0.0027701 k( 29) = ( 0.2500000 -0.4646720 -0.2796353), wk = 0.0027701 k( 30) = ( 0.2589286 -0.4812675 -0.2896223), wk = 0.0027701 k( 31) = ( 0.2678571 -0.4978629 -0.2996093), wk = 0.0027701 k( 32) = ( 0.2767857 -0.5144583 -0.3095962), wk = 0.0027701 k( 33) = ( 0.2857143 -0.5310538 -0.3195832), wk = 0.0027701 k( 34) = ( 0.2946429 -0.5476492 -0.3295702), wk = 0.0027701 k( 35) = ( 0.3035714 -0.5642446 -0.3395572), wk = 0.0027701 k( 36) = ( 0.3125000 -0.5808400 -0.3495441), wk = 0.0027701 k( 37) = ( 0.3214286 -0.5974355 -0.3595311), wk = 0.0027701 k( 38) = ( 0.3303571 -0.6140309 -0.3695181), wk = 0.0027701 k( 39) = ( 0.3392857 -0.6306263 -0.3795051), wk = 0.0027701 k( 40) = ( 0.3482143 -0.6472218 -0.3894920), wk = 0.0027701 k( 41) = ( 0.3571429 -0.6638172 -0.3994790), wk = 0.0027701 k( 42) = ( 0.3660714 -0.6804126 -0.4094660), wk = 0.0027701 k( 43) = ( 0.3750000 -0.6970081 -0.4194530), wk = 0.0027701 k( 44) = ( 0.3839286 -0.7136035 -0.4294399), wk = 0.0027701 k( 45) = ( 0.3928571 -0.7301989 -0.4394269), wk = 0.0027701 k( 46) = ( 0.4017857 -0.7467943 -0.4494139), wk = 0.0027701 k( 47) = ( 0.4107143 -0.7633898 -0.4594009), wk = 0.0027701 k( 48) = ( 0.4196429 -0.7799852 -0.4693878), wk = 0.0027701 k( 49) = ( 0.4285714 -0.7965806 -0.4793748), wk = 0.0027701 k( 50) = ( 0.4375000 -0.8131761 -0.4893618), wk = 0.0027701 k( 51) = ( 0.4464286 -0.8297715 -0.4993488), wk = 0.0027701 k( 52) = ( 0.4553571 -0.8463669 -0.5093357), wk = 0.0027701 k( 53) = ( 0.4642857 -0.8629623 -0.5193227), wk = 0.0027701 k( 54) = ( 0.4732143 -0.8795578 -0.5293097), wk = 0.0027701 k( 55) = ( 0.4821429 -0.8961532 -0.5392967), wk = 0.0027701 k( 56) = ( 0.4910714 -0.9127486 -0.5492836), wk = 0.0027701 k( 57) = ( 0.5000000 -0.9293441 -0.5592706), wk = 0.0027701 k( 58) = ( 0.5000000 -0.9293441 -0.5592706), wk = 0.0027701 k( 59) = ( 0.5000000 -0.9184246 -0.5774156), wk = 0.0027701 k( 60) = ( 0.5000000 -0.9075051 -0.5955607), wk = 0.0027701 k( 61) = ( 0.5000000 -0.8965855 -0.6137057), wk = 0.0027701 k( 62) = ( 0.5000000 -0.8856660 -0.6318507), wk = 0.0027701 k( 63) = ( 0.5000000 -0.8747465 -0.6499958), wk = 0.0027701 k( 64) = ( 0.5000000 -0.8638270 -0.6681408), wk = 0.0027701 k( 65) = ( 0.5000000 -0.8529075 -0.6862858), wk = 0.0027701 k( 66) = ( 0.5000000 -0.8419880 -0.7044308), wk = 0.0027701 k( 67) = ( 0.5000000 -0.8310685 -0.7225759), wk = 0.0027701 k( 68) = ( 0.5000000 -0.8201490 -0.7407209), wk = 0.0027701 k( 69) = ( 0.5000000 -0.8092294 -0.7588660), wk = 0.0027701 k( 70) = ( 0.5000000 -0.7983099 -0.7770110), wk = 0.0027701 k( 71) = ( 0.5000000 -0.7873904 -0.7951560), wk = 0.0027701 k( 72) = ( 0.5000000 -0.7764709 -0.8133011), wk = 0.0027701 k( 73) = ( 0.5000000 -0.7655514 -0.8314461), wk = 0.0027701 k( 74) = ( 0.5000000 -0.7546319 -0.8495911), wk = 0.0027701 k( 75) = ( 0.5000000 -0.7437124 -0.8677361), wk = 0.0027701 k( 76) = ( 0.5000000 -0.7327929 -0.8858812), wk = 0.0027701 k( 77) = ( 0.5000000 -0.7218734 -0.9040262), wk = 0.0027701 k( 78) = ( 0.5000000 -0.7109539 -0.9221712), wk = 0.0027701 k( 79) = ( 0.5000000 -0.7000344 -0.9403163), wk = 0.0027701 k( 80) = ( 0.5000000 -0.6891148 -0.9584613), wk = 0.0027701 k( 81) = ( 0.5000000 -0.6781953 -0.9766063), wk = 0.0027701 k( 82) = ( 0.5000000 -0.6672758 -0.9947513), wk = 0.0027701 k( 83) = ( 0.5000000 -0.6563563 -1.0128964), wk = 0.0027701 k( 84) = ( 0.5000000 -0.6454368 -1.0310414), wk = 0.0027701 k( 85) = ( 0.5000000 -0.6345173 -1.0491864), wk = 0.0027701 k( 86) = ( 0.5000000 -0.6235978 -1.0673315), wk = 0.0027701 k( 87) = ( 0.5000000 -0.6126783 -1.0854765), wk = 0.0027701 k( 88) = ( 0.5000000 -0.6017587 -1.1036216), wk = 0.0027701 k( 89) = ( 0.5000000 -0.5908392 -1.1217666), wk = 0.0027701 k( 90) = ( 0.5000000 -0.5799197 -1.1399116), wk = 0.0027701 k( 91) = ( 0.5000000 -0.5690002 -1.1580566), wk = 0.0027701 k( 92) = ( 0.5000000 -0.5580807 -1.1762017), wk = 0.0027701 k( 93) = ( 0.5000000 -0.5471612 -1.1943467), wk = 0.0027701 k( 94) = ( 0.8189240 -0.4668137 -1.0427358), wk = 0.0027701 k( 95) = ( 0.8136957 -0.4570960 -1.0243990), wk = 0.0027701 k( 96) = ( 0.8084675 -0.4473783 -1.0060623), wk = 0.0027701 k( 97) = ( 0.8032392 -0.4376606 -0.9877256), wk = 0.0027701 k( 98) = ( 0.7980109 -0.4279429 -0.9693888), wk = 0.0027701 k( 99) = ( 0.7927827 -0.4182252 -0.9510520), wk = 0.0027701 k( 100) = ( 0.7875544 -0.4085075 -0.9327153), wk = 0.0027701 k( 101) = ( 0.7823262 -0.3987898 -0.9143786), wk = 0.0027701 k( 102) = ( 0.7770979 -0.3890721 -0.8960418), wk = 0.0027701 k( 103) = ( 0.7718696 -0.3793543 -0.8777051), wk = 0.0027701 k( 104) = ( 0.7666414 -0.3696366 -0.8593683), wk = 0.0027701 k( 105) = ( 0.7614131 -0.3599189 -0.8410316), wk = 0.0027701 k( 106) = ( 0.7561848 -0.3502012 -0.8226949), wk = 0.0027701 k( 107) = ( 0.7509566 -0.3404835 -0.8043581), wk = 0.0027701 k( 108) = ( 0.7457283 -0.3307658 -0.7860214), wk = 0.0027701 k( 109) = ( 0.7405000 -0.3210481 -0.7676846), wk = 0.0027701 k( 110) = ( 0.7352718 -0.3113304 -0.7493479), wk = 0.0027701 k( 111) = ( 0.7300435 -0.3016127 -0.7310112), wk = 0.0027701 k( 112) = ( 0.7248153 -0.2918950 -0.7126744), wk = 0.0027701 k( 113) = ( 0.7195870 -0.2821773 -0.6943377), wk = 0.0027701 k( 114) = ( 0.7143587 -0.2724595 -0.6760009), wk = 0.0027701 k( 115) = ( 0.7091305 -0.2627418 -0.6576642), wk = 0.0027701 k( 116) = ( 0.7039022 -0.2530241 -0.6393275), wk = 0.0027701 k( 117) = ( 0.6986740 -0.2433064 -0.6209907), wk = 0.0027701 k( 118) = ( 0.6934457 -0.2335887 -0.6026540), wk = 0.0027701 k( 119) = ( 0.6882174 -0.2238710 -0.5843172), wk = 0.0027701 k( 120) = ( 0.6829892 -0.2141533 -0.5659805), wk = 0.0027701 k( 121) = ( 0.6777609 -0.2044356 -0.5476437), wk = 0.0027701 k( 122) = ( 0.6725326 -0.1947179 -0.5293070), wk = 0.0027701 k( 123) = ( 0.6673044 -0.1850002 -0.5109702), wk = 0.0027701 k( 124) = ( 0.6620761 -0.1752825 -0.4926335), wk = 0.0027701 k( 125) = ( 0.6568479 -0.1655648 -0.4742968), wk = 0.0027701 k( 126) = ( 0.6516196 -0.1558471 -0.4559600), wk = 0.0027701 k( 127) = ( 0.6463913 -0.1461293 -0.4376233), wk = 0.0027701 k( 128) = ( 0.6411631 -0.1364116 -0.4192865), wk = 0.0027701 k( 129) = ( 0.6359348 -0.1266939 -0.4009498), wk = 0.0027701 k( 130) = ( 0.6307065 -0.1169762 -0.3826131), wk = 0.0027701 k( 131) = ( 0.6254783 -0.1072585 -0.3642763), wk = 0.0027701 k( 132) = ( 0.6202500 -0.0975408 -0.3459396), wk = 0.0027701 k( 133) = ( 0.6150218 -0.0878231 -0.3276028), wk = 0.0027701 k( 134) = ( 0.6097935 -0.0781054 -0.3092661), wk = 0.0027701 k( 135) = ( 0.6045652 -0.0683877 -0.2909294), wk = 0.0027701 k( 136) = ( 0.5993370 -0.0586700 -0.2725926), wk = 0.0027701 k( 137) = ( 0.5941087 -0.0489523 -0.2542559), wk = 0.0027701 k( 138) = ( 0.5888804 -0.0392345 -0.2359191), wk = 0.0027701 k( 139) = ( 0.5836522 -0.0295168 -0.2175824), wk = 0.0027701 k( 140) = ( 0.5784239 -0.0197991 -0.1992457), wk = 0.0027701 k( 141) = ( 0.5731957 -0.0100814 -0.1809089), wk = 0.0027701 k( 142) = ( 0.5679674 -0.0003637 -0.1625722), wk = 0.0027701 k( 143) = ( 0.5627391 0.0093540 -0.1442354), wk = 0.0027701 k( 144) = ( 0.5575109 0.0190717 -0.1258987), wk = 0.0027701 k( 145) = ( 0.5522826 0.0287894 -0.1075619), wk = 0.0027701 k( 146) = ( 0.5470544 0.0385071 -0.0892252), wk = 0.0027701 k( 147) = ( 0.5418261 0.0482248 -0.0708885), wk = 0.0027701 k( 148) = ( 0.5365978 0.0579425 -0.0525517), wk = 0.0027701 k( 149) = ( 0.5313696 0.0676603 -0.0342150), wk = 0.0027701 k( 150) = ( 0.5261413 0.0773780 -0.0158782), wk = 0.0027701 k( 151) = ( 0.5209130 0.0870957 0.0024585), wk = 0.0027701 k( 152) = ( 0.5156848 0.0968134 0.0207952), wk = 0.0027701 k( 153) = ( 0.5104565 0.1065311 0.0391320), wk = 0.0027701 k( 154) = ( 0.5052283 0.1162488 0.0574687), wk = 0.0027701 k( 155) = ( 0.5000000 0.1259665 0.0758055), wk = 0.0027701 k( 156) = ( 0.5000000 0.1259665 0.0758055), wk = 0.0027701 k( 157) = ( 0.4800000 0.1209278 0.0727732), wk = 0.0027701 k( 158) = ( 0.4600000 0.1158892 0.0697410), wk = 0.0027701 k( 159) = ( 0.4400000 0.1108505 0.0667088), wk = 0.0027701 k( 160) = ( 0.4200000 0.1058119 0.0636766), wk = 0.0027701 k( 161) = ( 0.4000000 0.1007732 0.0606444), wk = 0.0027701 k( 162) = ( 0.3800000 0.0957345 0.0576122), wk = 0.0027701 k( 163) = ( 0.3600000 0.0906959 0.0545799), wk = 0.0027701 k( 164) = ( 0.3400000 0.0856572 0.0515477), wk = 0.0027701 k( 165) = ( 0.3200000 0.0806186 0.0485155), wk = 0.0027701 k( 166) = ( 0.3000000 0.0755799 0.0454833), wk = 0.0027701 k( 167) = ( 0.2800000 0.0705412 0.0424511), wk = 0.0027701 k( 168) = ( 0.2600000 0.0655026 0.0394188), wk = 0.0027701 k( 169) = ( 0.2400000 0.0604639 0.0363866), wk = 0.0027701 k( 170) = ( 0.2200000 0.0554253 0.0333544), wk = 0.0027701 k( 171) = ( 0.2000000 0.0503866 0.0303222), wk = 0.0027701 k( 172) = ( 0.1800000 0.0453479 0.0272900), wk = 0.0027701 k( 173) = ( 0.1600000 0.0403093 0.0242577), wk = 0.0027701 k( 174) = ( 0.1400000 0.0352706 0.0212255), wk = 0.0027701 k( 175) = ( 0.1200000 0.0302320 0.0181933), wk = 0.0027701 k( 176) = ( 0.1000000 0.0251933 0.0151611), wk = 0.0027701 k( 177) = ( 0.0800000 0.0201546 0.0121289), wk = 0.0027701 k( 178) = ( 0.0600000 0.0151160 0.0090967), wk = 0.0027701 k( 179) = ( 0.0400000 0.0100773 0.0060644), wk = 0.0027701 k( 180) = ( 0.0200000 0.0050387 0.0030322), wk = 0.0027701 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 183) = ( 0.0052391 -0.0097378 -0.0183746), wk = 0.0027701 k( 184) = ( 0.0104781 -0.0194755 -0.0367491), wk = 0.0027701 k( 185) = ( 0.0157171 -0.0292133 -0.0551237), wk = 0.0027701 k( 186) = ( 0.0209562 -0.0389510 -0.0734983), wk = 0.0027701 k( 187) = ( 0.0261952 -0.0486888 -0.0918728), wk = 0.0027701 k( 188) = ( 0.0314343 -0.0584265 -0.1102474), wk = 0.0027701 k( 189) = ( 0.0366733 -0.0681643 -0.1286219), wk = 0.0027701 k( 190) = ( 0.0419124 -0.0779020 -0.1469965), wk = 0.0027701 k( 191) = ( 0.0471514 -0.0876398 -0.1653711), wk = 0.0027701 k( 192) = ( 0.0523905 -0.0973775 -0.1837456), wk = 0.0027701 k( 193) = ( 0.0576295 -0.1071153 -0.2021202), wk = 0.0027701 k( 194) = ( 0.0628686 -0.1168530 -0.2204948), wk = 0.0027701 k( 195) = ( 0.0681076 -0.1265908 -0.2388693), wk = 0.0027701 k( 196) = ( 0.0733466 -0.1363285 -0.2572439), wk = 0.0027701 k( 197) = ( 0.0785857 -0.1460663 -0.2756185), wk = 0.0027701 k( 198) = ( 0.0838247 -0.1558041 -0.2939930), wk = 0.0027701 k( 199) = ( 0.0890638 -0.1655418 -0.3123676), wk = 0.0027701 k( 200) = ( 0.0943028 -0.1752796 -0.3307421), wk = 0.0027701 k( 201) = ( 0.0995419 -0.1850173 -0.3491167), wk = 0.0027701 k( 202) = ( 0.1047809 -0.1947551 -0.3674913), wk = 0.0027701 k( 203) = ( 0.1100200 -0.2044928 -0.3858658), wk = 0.0027701 k( 204) = ( 0.1152590 -0.2142306 -0.4042404), wk = 0.0027701 k( 205) = ( 0.1204981 -0.2239683 -0.4226150), wk = 0.0027701 k( 206) = ( 0.1257371 -0.2337061 -0.4409895), wk = 0.0027701 k( 207) = ( 0.1309762 -0.2434438 -0.4593641), wk = 0.0027701 k( 208) = ( 0.1362152 -0.2531816 -0.4777387), wk = 0.0027701 k( 209) = ( 0.1414543 -0.2629193 -0.4961132), wk = 0.0027701 k( 210) = ( 0.1466933 -0.2726571 -0.5144878), wk = 0.0027701 k( 211) = ( 0.1519323 -0.2823948 -0.5328624), wk = 0.0027701 k( 212) = ( 0.1571714 -0.2921326 -0.5512369), wk = 0.0027701 k( 213) = ( 0.1624104 -0.3018704 -0.5696115), wk = 0.0027701 k( 214) = ( 0.1676495 -0.3116081 -0.5879861), wk = 0.0027701 k( 215) = ( 0.1728885 -0.3213459 -0.6063606), wk = 0.0027701 k( 216) = ( 0.1781276 -0.3310836 -0.6247352), wk = 0.0027701 k( 217) = ( 0.1833666 -0.3408214 -0.6431098), wk = 0.0027701 k( 218) = ( 0.1886057 -0.3505591 -0.6614843), wk = 0.0027701 k( 219) = ( 0.1938447 -0.3602969 -0.6798589), wk = 0.0027701 k( 220) = ( 0.1990838 -0.3700346 -0.6982335), wk = 0.0027701 k( 221) = ( 0.2043228 -0.3797724 -0.7166080), wk = 0.0027701 k( 222) = ( 0.2095618 -0.3895101 -0.7349826), wk = 0.0027701 k( 223) = ( 0.2148009 -0.3992479 -0.7533572), wk = 0.0027701 k( 224) = ( 0.2200399 -0.4089856 -0.7717317), wk = 0.0027701 k( 225) = ( 0.2252790 -0.4187234 -0.7901063), wk = 0.0027701 k( 226) = ( 0.2305180 -0.4284611 -0.8084808), wk = 0.0027701 k( 227) = ( 0.2357571 -0.4381989 -0.8268554), wk = 0.0027701 k( 228) = ( 0.2409961 -0.4479366 -0.8452300), wk = 0.0027701 k( 229) = ( 0.2462352 -0.4576744 -0.8636045), wk = 0.0027701 k( 230) = ( 0.2514742 -0.4674122 -0.8819791), wk = 0.0027701 k( 231) = ( 0.2567133 -0.4771499 -0.9003537), wk = 0.0027701 k( 232) = ( 0.2619523 -0.4868877 -0.9187282), wk = 0.0027701 k( 233) = ( 0.2671914 -0.4966254 -0.9371028), wk = 0.0027701 k( 234) = ( 0.2724304 -0.5063632 -0.9554774), wk = 0.0027701 k( 235) = ( 0.2776694 -0.5161009 -0.9738519), wk = 0.0027701 k( 236) = ( 0.2829085 -0.5258387 -0.9922265), wk = 0.0027701 k( 237) = ( 0.2881475 -0.5355764 -1.0106011), wk = 0.0027701 k( 238) = ( 0.2933866 -0.5453142 -1.0289756), wk = 0.0027701 k( 239) = ( 0.2986256 -0.5550519 -1.0473502), wk = 0.0027701 k( 240) = ( 0.3038647 -0.5647897 -1.0657248), wk = 0.0027701 k( 241) = ( 0.3091037 -0.5745274 -1.0840993), wk = 0.0027701 k( 242) = ( 0.3143428 -0.5842652 -1.1024739), wk = 0.0027701 k( 243) = ( 0.3195818 -0.5940029 -1.1208484), wk = 0.0027701 k( 244) = ( 0.3248209 -0.6037407 -1.1392230), wk = 0.0027701 k( 245) = ( 0.3300599 -0.6134785 -1.1575976), wk = 0.0027701 k( 246) = ( 0.3352990 -0.6232162 -1.1759721), wk = 0.0027701 k( 247) = ( 0.3405380 -0.6329540 -1.1943467), wk = 0.0027701 k( 248) = ( 0.6594620 -0.5069875 -1.1185412), wk = 0.0027701 k( 249) = ( 0.6543181 -0.4865696 -1.1185412), wk = 0.0027701 k( 250) = ( 0.6491741 -0.4661517 -1.1185412), wk = 0.0027701 k( 251) = ( 0.6440302 -0.4457339 -1.1185412), wk = 0.0027701 k( 252) = ( 0.6388862 -0.4253160 -1.1185412), wk = 0.0027701 k( 253) = ( 0.6337423 -0.4048981 -1.1185412), wk = 0.0027701 k( 254) = ( 0.6285984 -0.3844802 -1.1185412), wk = 0.0027701 k( 255) = ( 0.6234544 -0.3640624 -1.1185412), wk = 0.0027701 k( 256) = ( 0.6183105 -0.3436445 -1.1185412), wk = 0.0027701 k( 257) = ( 0.6131666 -0.3232266 -1.1185412), wk = 0.0027701 k( 258) = ( 0.6080226 -0.3028088 -1.1185412), wk = 0.0027701 k( 259) = ( 0.6028787 -0.2823909 -1.1185412), wk = 0.0027701 k( 260) = ( 0.5977348 -0.2619730 -1.1185412), wk = 0.0027701 k( 261) = ( 0.5925908 -0.2415551 -1.1185412), wk = 0.0027701 k( 262) = ( 0.5874469 -0.2211373 -1.1185412), wk = 0.0027701 k( 263) = ( 0.5823030 -0.2007194 -1.1185412), wk = 0.0027701 k( 264) = ( 0.5771590 -0.1803016 -1.1185412), wk = 0.0027701 k( 265) = ( 0.5720151 -0.1598837 -1.1185412), wk = 0.0027701 k( 266) = ( 0.5668712 -0.1394658 -1.1185412), wk = 0.0027701 k( 267) = ( 0.5617272 -0.1190479 -1.1185412), wk = 0.0027701 k( 268) = ( 0.5565833 -0.0986301 -1.1185412), wk = 0.0027701 k( 269) = ( 0.5514393 -0.0782122 -1.1185412), wk = 0.0027701 k( 270) = ( 0.5462954 -0.0577943 -1.1185412), wk = 0.0027701 k( 271) = ( 0.5411515 -0.0373765 -1.1185412), wk = 0.0027701 k( 272) = ( 0.5360075 -0.0169586 -1.1185412), wk = 0.0027701 k( 273) = ( 0.5308636 0.0034593 -1.1185412), wk = 0.0027701 k( 274) = ( 0.5257197 0.0238771 -1.1185412), wk = 0.0027701 k( 275) = ( 0.5205757 0.0442950 -1.1185412), wk = 0.0027701 k( 276) = ( 0.5154318 0.0647129 -1.1185412), wk = 0.0027701 k( 277) = ( 0.5102879 0.0851308 -1.1185412), wk = 0.0027701 k( 278) = ( 0.5051439 0.1055486 -1.1185412), wk = 0.0027701 k( 279) = ( 0.5000000 0.1259665 -1.1185412), wk = 0.0027701 k( 280) = ( 0.5000000 0.1259665 -1.1185412), wk = 0.0027701 k( 281) = ( 0.5177180 0.1304302 -1.1101184), wk = 0.0027701 k( 282) = ( 0.5354360 0.1348940 -1.1016956), wk = 0.0027701 k( 283) = ( 0.5531540 0.1393577 -1.0932728), wk = 0.0027701 k( 284) = ( 0.5708720 0.1438215 -1.0848499), wk = 0.0027701 k( 285) = ( 0.5885900 0.1482852 -1.0764271), wk = 0.0027701 k( 286) = ( 0.6063080 0.1527490 -1.0680042), wk = 0.0027701 k( 287) = ( 0.6240260 0.1572127 -1.0595814), wk = 0.0027701 k( 288) = ( 0.6417440 0.1616765 -1.0511586), wk = 0.0027701 k( 289) = ( 0.6594620 0.1661402 -1.0427358), wk = 0.0027701 k( 290) = ( 0.6594620 0.1661402 -1.0427358), wk = 0.0027701 k( 291) = ( 0.6564533 0.1653822 -1.0216312), wk = 0.0027701 k( 292) = ( 0.6534446 0.1646242 -1.0005267), wk = 0.0027701 k( 293) = ( 0.6504358 0.1638663 -0.9794221), wk = 0.0027701 k( 294) = ( 0.6474271 0.1631083 -0.9583176), wk = 0.0027701 k( 295) = ( 0.6444184 0.1623503 -0.9372130), wk = 0.0027701 k( 296) = ( 0.6414097 0.1615923 -0.9161085), wk = 0.0027701 k( 297) = ( 0.6384010 0.1608343 -0.8950039), wk = 0.0027701 k( 298) = ( 0.6353923 0.1600763 -0.8738993), wk = 0.0027701 k( 299) = ( 0.6323835 0.1593183 -0.8527948), wk = 0.0027701 k( 300) = ( 0.6293748 0.1585603 -0.8316902), wk = 0.0027701 k( 301) = ( 0.6263661 0.1578023 -0.8105857), wk = 0.0027701 k( 302) = ( 0.6233574 0.1570443 -0.7894811), wk = 0.0027701 k( 303) = ( 0.6203487 0.1562863 -0.7683766), wk = 0.0027701 k( 304) = ( 0.6173400 0.1555283 -0.7472720), wk = 0.0027701 k( 305) = ( 0.6143312 0.1547703 -0.7261675), wk = 0.0027701 k( 306) = ( 0.6113225 0.1540123 -0.7050629), wk = 0.0027701 k( 307) = ( 0.6083138 0.1532543 -0.6839584), wk = 0.0027701 k( 308) = ( 0.6053051 0.1524963 -0.6628538), wk = 0.0027701 k( 309) = ( 0.6022964 0.1517383 -0.6417493), wk = 0.0027701 k( 310) = ( 0.5992876 0.1509803 -0.6206447), wk = 0.0027701 k( 311) = ( 0.5962789 0.1502223 -0.5995402), wk = 0.0027701 k( 312) = ( 0.5932702 0.1494643 -0.5784356), wk = 0.0027701 k( 313) = ( 0.5902615 0.1487064 -0.5573311), wk = 0.0027701 k( 314) = ( 0.5872528 0.1479484 -0.5362265), wk = 0.0027701 k( 315) = ( 0.5842441 0.1471904 -0.5151220), wk = 0.0027701 k( 316) = ( 0.5812354 0.1464324 -0.4940174), wk = 0.0027701 k( 317) = ( 0.5782266 0.1456744 -0.4729129), wk = 0.0027701 k( 318) = ( 0.5752179 0.1449164 -0.4518083), wk = 0.0027701 k( 319) = ( 0.5722092 0.1441584 -0.4307038), wk = 0.0027701 k( 320) = ( 0.5692005 0.1434004 -0.4095992), wk = 0.0027701 k( 321) = ( 0.5661918 0.1426424 -0.3884947), wk = 0.0027701 k( 322) = ( 0.5631831 0.1418844 -0.3673901), wk = 0.0027701 k( 323) = ( 0.5601743 0.1411264 -0.3462856), wk = 0.0027701 k( 324) = ( 0.5571656 0.1403684 -0.3251810), wk = 0.0027701 k( 325) = ( 0.5541569 0.1396104 -0.3040764), wk = 0.0027701 k( 326) = ( 0.5511482 0.1388524 -0.2829719), wk = 0.0027701 k( 327) = ( 0.5481395 0.1380944 -0.2618674), wk = 0.0027701 k( 328) = ( 0.5451307 0.1373364 -0.2407628), wk = 0.0027701 k( 329) = ( 0.5421220 0.1365784 -0.2196583), wk = 0.0027701 k( 330) = ( 0.5391133 0.1358204 -0.1985537), wk = 0.0027701 k( 331) = ( 0.5361046 0.1350624 -0.1774491), wk = 0.0027701 k( 332) = ( 0.5330959 0.1343044 -0.1563446), wk = 0.0027701 k( 333) = ( 0.5300872 0.1335465 -0.1352401), wk = 0.0027701 k( 334) = ( 0.5270784 0.1327885 -0.1141355), wk = 0.0027701 k( 335) = ( 0.5240697 0.1320305 -0.0930309), wk = 0.0027701 k( 336) = ( 0.5210610 0.1312725 -0.0719264), wk = 0.0027701 k( 337) = ( 0.5180523 0.1305145 -0.0508218), wk = 0.0027701 k( 338) = ( 0.5150436 0.1297565 -0.0297173), wk = 0.0027701 k( 339) = ( 0.5120349 0.1289985 -0.0086127), wk = 0.0027701 k( 340) = ( 0.5090261 0.1282405 0.0124918), wk = 0.0027701 k( 341) = ( 0.5060174 0.1274825 0.0335964), wk = 0.0027701 k( 342) = ( 0.5030087 0.1267245 0.0547009), wk = 0.0027701 k( 343) = ( 0.5000000 0.1259665 0.0758055), wk = 0.0027701 k( 344) = ( 0.5000000 -0.9293441 -0.5592706), wk = 0.0027701 k( 345) = ( 0.5187602 -0.9219343 -0.5548115), wk = 0.0027701 k( 346) = ( 0.5375205 -0.9145245 -0.5503523), wk = 0.0027701 k( 347) = ( 0.5562807 -0.9071147 -0.5458932), wk = 0.0027701 k( 348) = ( 0.5750409 -0.8997049 -0.5414340), wk = 0.0027701 k( 349) = ( 0.5938012 -0.8922951 -0.5369749), wk = 0.0027701 k( 350) = ( 0.6125614 -0.8848853 -0.5325157), wk = 0.0027701 k( 351) = ( 0.6313216 -0.8774755 -0.5280566), wk = 0.0027701 k( 352) = ( 0.6500819 -0.8700657 -0.5235974), wk = 0.0027701 k( 353) = ( 0.6688421 -0.8626559 -0.5191383), wk = 0.0027701 k( 354) = ( 0.6876023 -0.8552461 -0.5146792), wk = 0.0027701 k( 355) = ( 0.7063626 -0.8478364 -0.5102200), wk = 0.0027701 k( 356) = ( 0.7251228 -0.8404265 -0.5057609), wk = 0.0027701 k( 357) = ( 0.7438830 -0.8330167 -0.5013017), wk = 0.0027701 k( 358) = ( 0.7626433 -0.8256069 -0.4968426), wk = 0.0027701 k( 359) = ( 0.7814035 -0.8181972 -0.4923834), wk = 0.0027701 k( 360) = ( 0.8001637 -0.8107874 -0.4879243), wk = 0.0027701 k( 361) = ( 0.8189240 -0.8033776 -0.4834651), wk = 0.0027701 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 2) = ( 0.0089286 0.0000000 0.0000000), wk = 0.0027701 k( 3) = ( 0.0178571 0.0000000 0.0000000), wk = 0.0027701 k( 4) = ( 0.0267857 -0.0000000 0.0000000), wk = 0.0027701 k( 5) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0027701 k( 6) = ( 0.0446429 0.0000000 0.0000000), wk = 0.0027701 k( 7) = ( 0.0535714 0.0000000 0.0000000), wk = 0.0027701 k( 8) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0027701 k( 9) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0027701 k( 10) = ( 0.0803571 0.0000000 0.0000000), wk = 0.0027701 k( 11) = ( 0.0892857 0.0000000 0.0000000), wk = 0.0027701 k( 12) = ( 0.0982143 -0.0000000 0.0000000), wk = 0.0027701 k( 13) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0027701 k( 14) = ( 0.1160714 0.0000000 0.0000000), wk = 0.0027701 k( 15) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0027701 k( 16) = ( 0.1339286 0.0000000 0.0000000), wk = 0.0027701 k( 17) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0027701 k( 18) = ( 0.1517857 0.0000000 0.0000000), wk = 0.0027701 k( 19) = ( 0.1607143 0.0000000 0.0000000), wk = 0.0027701 k( 20) = ( 0.1696429 -0.0000000 0.0000000), wk = 0.0027701 k( 21) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0027701 k( 22) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0027701 k( 23) = ( 0.1964286 0.0000000 0.0000000), wk = 0.0027701 k( 24) = ( 0.2053571 0.0000000 0.0000000), wk = 0.0027701 k( 25) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0027701 k( 26) = ( 0.2232143 0.0000000 0.0000000), wk = 0.0027701 k( 27) = ( 0.2321429 0.0000000 0.0000000), wk = 0.0027701 k( 28) = ( 0.2410714 -0.0000000 0.0000000), wk = 0.0027701 k( 29) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0027701 k( 30) = ( 0.2589286 0.0000000 0.0000000), wk = 0.0027701 k( 31) = ( 0.2678571 0.0000000 0.0000000), wk = 0.0027701 k( 32) = ( 0.2767857 0.0000000 0.0000000), wk = 0.0027701 k( 33) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0027701 k( 34) = ( 0.2946429 0.0000000 0.0000000), wk = 0.0027701 k( 35) = ( 0.3035714 0.0000000 0.0000000), wk = 0.0027701 k( 36) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0027701 k( 37) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0027701 k( 38) = ( 0.3303571 -0.0000000 0.0000000), wk = 0.0027701 k( 39) = ( 0.3392857 0.0000000 0.0000000), wk = 0.0027701 k( 40) = ( 0.3482143 0.0000000 0.0000000), wk = 0.0027701 k( 41) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0027701 k( 42) = ( 0.3660714 0.0000000 0.0000000), wk = 0.0027701 k( 43) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0027701 k( 44) = ( 0.3839286 0.0000000 0.0000000), wk = 0.0027701 k( 45) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0027701 k( 46) = ( 0.4017857 0.0000000 0.0000000), wk = 0.0027701 k( 47) = ( 0.4107143 0.0000000 0.0000000), wk = 0.0027701 k( 48) = ( 0.4196429 0.0000000 0.0000000), wk = 0.0027701 k( 49) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0027701 k( 50) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0027701 k( 51) = ( 0.4464286 0.0000000 0.0000000), wk = 0.0027701 k( 52) = ( 0.4553571 0.0000000 0.0000000), wk = 0.0027701 k( 53) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0027701 k( 54) = ( 0.4732143 0.0000000 0.0000000), wk = 0.0027701 k( 55) = ( 0.4821429 -0.0000000 0.0000000), wk = 0.0027701 k( 56) = ( 0.4910714 0.0000000 0.0000000), wk = 0.0027701 k( 57) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027701 k( 58) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027701 k( 59) = ( 0.5000000 0.0051736 -0.0051736), wk = 0.0027701 k( 60) = ( 0.5000000 0.0103472 -0.0103472), wk = 0.0027701 k( 61) = ( 0.5000000 0.0155208 -0.0155208), wk = 0.0027701 k( 62) = ( 0.5000000 0.0206944 -0.0206944), wk = 0.0027701 k( 63) = ( 0.5000000 0.0258680 -0.0258680), wk = 0.0027701 k( 64) = ( 0.5000000 0.0310416 -0.0310416), wk = 0.0027701 k( 65) = ( 0.5000000 0.0362152 -0.0362152), wk = 0.0027701 k( 66) = ( 0.5000000 0.0413888 -0.0413888), wk = 0.0027701 k( 67) = ( 0.5000000 0.0465624 -0.0465624), wk = 0.0027701 k( 68) = ( 0.5000000 0.0517360 -0.0517360), wk = 0.0027701 k( 69) = ( 0.5000000 0.0569096 -0.0569096), wk = 0.0027701 k( 70) = ( 0.5000000 0.0620832 -0.0620832), wk = 0.0027701 k( 71) = ( 0.5000000 0.0672568 -0.0672568), wk = 0.0027701 k( 72) = ( 0.5000000 0.0724304 -0.0724304), wk = 0.0027701 k( 73) = ( 0.5000000 0.0776040 -0.0776040), wk = 0.0027701 k( 74) = ( 0.5000000 0.0827776 -0.0827776), wk = 0.0027701 k( 75) = ( 0.5000000 0.0879512 -0.0879512), wk = 0.0027701 k( 76) = ( 0.5000000 0.0931248 -0.0931248), wk = 0.0027701 k( 77) = ( 0.5000000 0.0982984 -0.0982984), wk = 0.0027701 k( 78) = ( 0.5000000 0.1034720 -0.1034720), wk = 0.0027701 k( 79) = ( 0.5000000 0.1086456 -0.1086456), wk = 0.0027701 k( 80) = ( 0.5000000 0.1138192 -0.1138192), wk = 0.0027701 k( 81) = ( 0.5000000 0.1189928 -0.1189928), wk = 0.0027701 k( 82) = ( 0.5000000 0.1241664 -0.1241664), wk = 0.0027701 k( 83) = ( 0.5000000 0.1293400 -0.1293400), wk = 0.0027701 k( 84) = ( 0.5000000 0.1345136 -0.1345136), wk = 0.0027701 k( 85) = ( 0.5000000 0.1396872 -0.1396872), wk = 0.0027701 k( 86) = ( 0.5000000 0.1448608 -0.1448608), wk = 0.0027701 k( 87) = ( 0.5000000 0.1500344 -0.1500344), wk = 0.0027701 k( 88) = ( 0.5000000 0.1552080 -0.1552080), wk = 0.0027701 k( 89) = ( 0.5000000 0.1603816 -0.1603816), wk = 0.0027701 k( 90) = ( 0.5000000 0.1655552 -0.1655552), wk = 0.0027701 k( 91) = ( 0.5000000 0.1707288 -0.1707288), wk = 0.0027701 k( 92) = ( 0.5000000 0.1759024 -0.1759024), wk = 0.0027701 k( 93) = ( 0.5000000 0.1810760 -0.1810760), wk = 0.0027701 k( 94) = ( 0.8189240 0.5000000 0.1810760), wk = 0.0027701 k( 95) = ( 0.8136957 0.5000000 0.1863043), wk = 0.0027701 k( 96) = ( 0.8084675 0.5000000 0.1915325), wk = 0.0027701 k( 97) = ( 0.8032392 0.5000000 0.1967608), wk = 0.0027701 k( 98) = ( 0.7980109 0.5000000 0.2019891), wk = 0.0027701 k( 99) = ( 0.7927827 0.5000000 0.2072173), wk = 0.0027701 k( 100) = ( 0.7875544 0.5000000 0.2124456), wk = 0.0027701 k( 101) = ( 0.7823262 0.5000000 0.2176739), wk = 0.0027701 k( 102) = ( 0.7770979 0.5000000 0.2229021), wk = 0.0027701 k( 103) = ( 0.7718696 0.5000000 0.2281304), wk = 0.0027701 k( 104) = ( 0.7666414 0.5000000 0.2333586), wk = 0.0027701 k( 105) = ( 0.7614131 0.5000000 0.2385869), wk = 0.0027701 k( 106) = ( 0.7561848 0.5000000 0.2438152), wk = 0.0027701 k( 107) = ( 0.7509566 0.5000000 0.2490434), wk = 0.0027701 k( 108) = ( 0.7457283 0.5000000 0.2542717), wk = 0.0027701 k( 109) = ( 0.7405000 0.5000000 0.2595000), wk = 0.0027701 k( 110) = ( 0.7352718 0.5000000 0.2647282), wk = 0.0027701 k( 111) = ( 0.7300435 0.5000000 0.2699565), wk = 0.0027701 k( 112) = ( 0.7248153 0.5000000 0.2751847), wk = 0.0027701 k( 113) = ( 0.7195870 0.5000000 0.2804130), wk = 0.0027701 k( 114) = ( 0.7143587 0.5000000 0.2856413), wk = 0.0027701 k( 115) = ( 0.7091305 0.5000000 0.2908695), wk = 0.0027701 k( 116) = ( 0.7039022 0.5000000 0.2960978), wk = 0.0027701 k( 117) = ( 0.6986740 0.5000000 0.3013260), wk = 0.0027701 k( 118) = ( 0.6934457 0.5000000 0.3065543), wk = 0.0027701 k( 119) = ( 0.6882174 0.5000000 0.3117826), wk = 0.0027701 k( 120) = ( 0.6829892 0.5000000 0.3170108), wk = 0.0027701 k( 121) = ( 0.6777609 0.5000000 0.3222391), wk = 0.0027701 k( 122) = ( 0.6725326 0.5000000 0.3274674), wk = 0.0027701 k( 123) = ( 0.6673044 0.5000000 0.3326956), wk = 0.0027701 k( 124) = ( 0.6620761 0.5000000 0.3379239), wk = 0.0027701 k( 125) = ( 0.6568479 0.5000000 0.3431521), wk = 0.0027701 k( 126) = ( 0.6516196 0.5000000 0.3483804), wk = 0.0027701 k( 127) = ( 0.6463913 0.5000000 0.3536087), wk = 0.0027701 k( 128) = ( 0.6411631 0.5000000 0.3588369), wk = 0.0027701 k( 129) = ( 0.6359348 0.5000000 0.3640652), wk = 0.0027701 k( 130) = ( 0.6307065 0.5000000 0.3692935), wk = 0.0027701 k( 131) = ( 0.6254783 0.5000000 0.3745217), wk = 0.0027701 k( 132) = ( 0.6202500 0.5000000 0.3797500), wk = 0.0027701 k( 133) = ( 0.6150218 0.5000000 0.3849782), wk = 0.0027701 k( 134) = ( 0.6097935 0.5000000 0.3902065), wk = 0.0027701 k( 135) = ( 0.6045652 0.5000000 0.3954348), wk = 0.0027701 k( 136) = ( 0.5993370 0.5000000 0.4006630), wk = 0.0027701 k( 137) = ( 0.5941087 0.5000000 0.4058913), wk = 0.0027701 k( 138) = ( 0.5888804 0.5000000 0.4111196), wk = 0.0027701 k( 139) = ( 0.5836522 0.5000000 0.4163478), wk = 0.0027701 k( 140) = ( 0.5784239 0.5000000 0.4215761), wk = 0.0027701 k( 141) = ( 0.5731957 0.5000000 0.4268043), wk = 0.0027701 k( 142) = ( 0.5679674 0.5000000 0.4320326), wk = 0.0027701 k( 143) = ( 0.5627391 0.5000000 0.4372609), wk = 0.0027701 k( 144) = ( 0.5575109 0.5000000 0.4424891), wk = 0.0027701 k( 145) = ( 0.5522826 0.5000000 0.4477174), wk = 0.0027701 k( 146) = ( 0.5470544 0.5000000 0.4529456), wk = 0.0027701 k( 147) = ( 0.5418261 0.5000000 0.4581739), wk = 0.0027701 k( 148) = ( 0.5365978 0.5000000 0.4634022), wk = 0.0027701 k( 149) = ( 0.5313696 0.5000000 0.4686304), wk = 0.0027701 k( 150) = ( 0.5261413 0.5000000 0.4738587), wk = 0.0027701 k( 151) = ( 0.5209130 0.5000000 0.4790870), wk = 0.0027701 k( 152) = ( 0.5156848 0.5000000 0.4843152), wk = 0.0027701 k( 153) = ( 0.5104565 0.5000000 0.4895435), wk = 0.0027701 k( 154) = ( 0.5052283 0.5000000 0.4947717), wk = 0.0027701 k( 155) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027701 k( 156) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027701 k( 157) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0027701 k( 158) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0027701 k( 159) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0027701 k( 160) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0027701 k( 161) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0027701 k( 162) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0027701 k( 163) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0027701 k( 164) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0027701 k( 165) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0027701 k( 166) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0027701 k( 167) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0027701 k( 168) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0027701 k( 169) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0027701 k( 170) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0027701 k( 171) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0027701 k( 172) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0027701 k( 173) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0027701 k( 174) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0027701 k( 175) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0027701 k( 176) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0027701 k( 177) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0027701 k( 178) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0027701 k( 179) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0027701 k( 180) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0027701 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 182) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027701 k( 183) = ( 0.0052391 0.0000000 -0.0052391), wk = 0.0027701 k( 184) = ( 0.0104781 0.0000000 -0.0104781), wk = 0.0027701 k( 185) = ( 0.0157171 0.0000000 -0.0157171), wk = 0.0027701 k( 186) = ( 0.0209562 -0.0000000 -0.0209562), wk = 0.0027701 k( 187) = ( 0.0261952 0.0000000 -0.0261952), wk = 0.0027701 k( 188) = ( 0.0314343 0.0000000 -0.0314343), wk = 0.0027701 k( 189) = ( 0.0366733 0.0000000 -0.0366733), wk = 0.0027701 k( 190) = ( 0.0419124 0.0000000 -0.0419124), wk = 0.0027701 k( 191) = ( 0.0471514 0.0000000 -0.0471514), wk = 0.0027701 k( 192) = ( 0.0523905 0.0000000 -0.0523905), wk = 0.0027701 k( 193) = ( 0.0576295 0.0000000 -0.0576295), wk = 0.0027701 k( 194) = ( 0.0628686 0.0000000 -0.0628686), wk = 0.0027701 k( 195) = ( 0.0681076 0.0000000 -0.0681076), wk = 0.0027701 k( 196) = ( 0.0733466 0.0000000 -0.0733466), wk = 0.0027701 k( 197) = ( 0.0785857 0.0000000 -0.0785857), wk = 0.0027701 k( 198) = ( 0.0838247 0.0000000 -0.0838247), wk = 0.0027701 k( 199) = ( 0.0890638 0.0000000 -0.0890638), wk = 0.0027701 k( 200) = ( 0.0943028 0.0000000 -0.0943028), wk = 0.0027701 k( 201) = ( 0.0995419 0.0000000 -0.0995419), wk = 0.0027701 k( 202) = ( 0.1047809 0.0000000 -0.1047809), wk = 0.0027701 k( 203) = ( 0.1100200 0.0000000 -0.1100200), wk = 0.0027701 k( 204) = ( 0.1152590 0.0000000 -0.1152590), wk = 0.0027701 k( 205) = ( 0.1204981 0.0000000 -0.1204981), wk = 0.0027701 k( 206) = ( 0.1257371 0.0000000 -0.1257371), wk = 0.0027701 k( 207) = ( 0.1309762 0.0000000 -0.1309762), wk = 0.0027701 k( 208) = ( 0.1362152 0.0000000 -0.1362152), wk = 0.0027701 k( 209) = ( 0.1414543 0.0000000 -0.1414542), wk = 0.0027701 k( 210) = ( 0.1466933 0.0000000 -0.1466933), wk = 0.0027701 k( 211) = ( 0.1519323 0.0000000 -0.1519323), wk = 0.0027701 k( 212) = ( 0.1571714 0.0000000 -0.1571714), wk = 0.0027701 k( 213) = ( 0.1624104 0.0000000 -0.1624104), wk = 0.0027701 k( 214) = ( 0.1676495 0.0000000 -0.1676495), wk = 0.0027701 k( 215) = ( 0.1728885 0.0000000 -0.1728885), wk = 0.0027701 k( 216) = ( 0.1781276 0.0000000 -0.1781276), wk = 0.0027701 k( 217) = ( 0.1833666 0.0000000 -0.1833666), wk = 0.0027701 k( 218) = ( 0.1886057 0.0000000 -0.1886057), wk = 0.0027701 k( 219) = ( 0.1938447 0.0000000 -0.1938447), wk = 0.0027701 k( 220) = ( 0.1990838 0.0000000 -0.1990838), wk = 0.0027701 k( 221) = ( 0.2043228 0.0000000 -0.2043228), wk = 0.0027701 k( 222) = ( 0.2095618 -0.0000000 -0.2095618), wk = 0.0027701 k( 223) = ( 0.2148009 0.0000000 -0.2148009), wk = 0.0027701 k( 224) = ( 0.2200399 0.0000000 -0.2200399), wk = 0.0027701 k( 225) = ( 0.2252790 0.0000000 -0.2252790), wk = 0.0027701 k( 226) = ( 0.2305180 0.0000000 -0.2305180), wk = 0.0027701 k( 227) = ( 0.2357571 0.0000000 -0.2357571), wk = 0.0027701 k( 228) = ( 0.2409961 -0.0000000 -0.2409961), wk = 0.0027701 k( 229) = ( 0.2462352 0.0000000 -0.2462352), wk = 0.0027701 k( 230) = ( 0.2514742 0.0000000 -0.2514742), wk = 0.0027701 k( 231) = ( 0.2567133 0.0000000 -0.2567133), wk = 0.0027701 k( 232) = ( 0.2619523 0.0000000 -0.2619523), wk = 0.0027701 k( 233) = ( 0.2671914 0.0000000 -0.2671914), wk = 0.0027701 k( 234) = ( 0.2724304 -0.0000000 -0.2724304), wk = 0.0027701 k( 235) = ( 0.2776694 0.0000000 -0.2776694), wk = 0.0027701 k( 236) = ( 0.2829085 0.0000000 -0.2829085), wk = 0.0027701 k( 237) = ( 0.2881475 0.0000000 -0.2881475), wk = 0.0027701 k( 238) = ( 0.2933866 0.0000000 -0.2933866), wk = 0.0027701 k( 239) = ( 0.2986256 0.0000000 -0.2986256), wk = 0.0027701 k( 240) = ( 0.3038647 0.0000000 -0.3038647), wk = 0.0027701 k( 241) = ( 0.3091037 0.0000000 -0.3091037), wk = 0.0027701 k( 242) = ( 0.3143428 0.0000000 -0.3143428), wk = 0.0027701 k( 243) = ( 0.3195818 0.0000000 -0.3195818), wk = 0.0027701 k( 244) = ( 0.3248209 0.0000000 -0.3248209), wk = 0.0027701 k( 245) = ( 0.3300599 0.0000000 -0.3300599), wk = 0.0027701 k( 246) = ( 0.3352990 0.0000000 -0.3352990), wk = 0.0027701 k( 247) = ( 0.3405380 0.0000000 -0.3405380), wk = 0.0027701 k( 248) = ( 0.6594620 0.3405380 0.0000000), wk = 0.0027701 k( 249) = ( 0.6543181 0.3456819 0.0000000), wk = 0.0027701 k( 250) = ( 0.6491741 0.3508259 0.0000000), wk = 0.0027701 k( 251) = ( 0.6440302 0.3559698 0.0000000), wk = 0.0027701 k( 252) = ( 0.6388862 0.3611138 0.0000000), wk = 0.0027701 k( 253) = ( 0.6337423 0.3662577 -0.0000000), wk = 0.0027701 k( 254) = ( 0.6285984 0.3714016 0.0000000), wk = 0.0027701 k( 255) = ( 0.6234544 0.3765456 0.0000000), wk = 0.0027701 k( 256) = ( 0.6183105 0.3816895 0.0000000), wk = 0.0027701 k( 257) = ( 0.6131666 0.3868334 0.0000000), wk = 0.0027701 k( 258) = ( 0.6080226 0.3919774 0.0000000), wk = 0.0027701 k( 259) = ( 0.6028787 0.3971213 0.0000000), wk = 0.0027701 k( 260) = ( 0.5977348 0.4022652 0.0000000), wk = 0.0027701 k( 261) = ( 0.5925908 0.4074092 0.0000000), wk = 0.0027701 k( 262) = ( 0.5874469 0.4125531 0.0000000), wk = 0.0027701 k( 263) = ( 0.5823030 0.4176970 0.0000000), wk = 0.0027701 k( 264) = ( 0.5771590 0.4228410 0.0000000), wk = 0.0027701 k( 265) = ( 0.5720151 0.4279849 0.0000000), wk = 0.0027701 k( 266) = ( 0.5668712 0.4331288 0.0000000), wk = 0.0027701 k( 267) = ( 0.5617272 0.4382728 0.0000000), wk = 0.0027701 k( 268) = ( 0.5565833 0.4434167 0.0000000), wk = 0.0027701 k( 269) = ( 0.5514393 0.4485607 0.0000000), wk = 0.0027701 k( 270) = ( 0.5462954 0.4537046 0.0000000), wk = 0.0027701 k( 271) = ( 0.5411515 0.4588485 0.0000000), wk = 0.0027701 k( 272) = ( 0.5360075 0.4639925 0.0000000), wk = 0.0027701 k( 273) = ( 0.5308636 0.4691364 0.0000000), wk = 0.0027701 k( 274) = ( 0.5257197 0.4742803 0.0000000), wk = 0.0027701 k( 275) = ( 0.5205757 0.4794243 0.0000000), wk = 0.0027701 k( 276) = ( 0.5154318 0.4845682 0.0000000), wk = 0.0027701 k( 277) = ( 0.5102879 0.4897121 0.0000000), wk = 0.0027701 k( 278) = ( 0.5051439 0.4948561 0.0000000), wk = 0.0027701 k( 279) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027701 k( 280) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027701 k( 281) = ( 0.5177180 0.5177180 0.0201196), wk = 0.0027701 k( 282) = ( 0.5354360 0.5354360 0.0402391), wk = 0.0027701 k( 283) = ( 0.5531540 0.5531540 0.0603587), wk = 0.0027701 k( 284) = ( 0.5708720 0.5708720 0.0804782), wk = 0.0027701 k( 285) = ( 0.5885900 0.5885900 0.1005978), wk = 0.0027701 k( 286) = ( 0.6063080 0.6063080 0.1207174), wk = 0.0027701 k( 287) = ( 0.6240260 0.6240260 0.1408369), wk = 0.0027701 k( 288) = ( 0.6417440 0.6417440 0.1609565), wk = 0.0027701 k( 289) = ( 0.6594620 0.6594620 0.1810760), wk = 0.0027701 k( 290) = ( 0.6594620 0.6594620 0.1810760), wk = 0.0027701 k( 291) = ( 0.6564533 0.6564533 0.1870935), wk = 0.0027701 k( 292) = ( 0.6534446 0.6534446 0.1931109), wk = 0.0027701 k( 293) = ( 0.6504358 0.6504358 0.1991283), wk = 0.0027701 k( 294) = ( 0.6474271 0.6474271 0.2051458), wk = 0.0027701 k( 295) = ( 0.6444184 0.6444184 0.2111632), wk = 0.0027701 k( 296) = ( 0.6414097 0.6414097 0.2171806), wk = 0.0027701 k( 297) = ( 0.6384010 0.6384010 0.2231981), wk = 0.0027701 k( 298) = ( 0.6353923 0.6353923 0.2292155), wk = 0.0027701 k( 299) = ( 0.6323835 0.6323835 0.2352329), wk = 0.0027701 k( 300) = ( 0.6293748 0.6293748 0.2412504), wk = 0.0027701 k( 301) = ( 0.6263661 0.6263661 0.2472678), wk = 0.0027701 k( 302) = ( 0.6233574 0.6233574 0.2532852), wk = 0.0027701 k( 303) = ( 0.6203487 0.6203487 0.2593027), wk = 0.0027701 k( 304) = ( 0.6173400 0.6173400 0.2653201), wk = 0.0027701 k( 305) = ( 0.6143312 0.6143312 0.2713375), wk = 0.0027701 k( 306) = ( 0.6113225 0.6113225 0.2773550), wk = 0.0027701 k( 307) = ( 0.6083138 0.6083138 0.2833724), wk = 0.0027701 k( 308) = ( 0.6053051 0.6053051 0.2893898), wk = 0.0027701 k( 309) = ( 0.6022964 0.6022964 0.2954073), wk = 0.0027701 k( 310) = ( 0.5992876 0.5992877 0.3014247), wk = 0.0027701 k( 311) = ( 0.5962789 0.5962789 0.3074421), wk = 0.0027701 k( 312) = ( 0.5932702 0.5932702 0.3134596), wk = 0.0027701 k( 313) = ( 0.5902615 0.5902615 0.3194770), wk = 0.0027701 k( 314) = ( 0.5872528 0.5872528 0.3254944), wk = 0.0027701 k( 315) = ( 0.5842441 0.5842441 0.3315119), wk = 0.0027701 k( 316) = ( 0.5812354 0.5812354 0.3375293), wk = 0.0027701 k( 317) = ( 0.5782266 0.5782266 0.3435467), wk = 0.0027701 k( 318) = ( 0.5752179 0.5752179 0.3495642), wk = 0.0027701 k( 319) = ( 0.5722092 0.5722092 0.3555816), wk = 0.0027701 k( 320) = ( 0.5692005 0.5692005 0.3615990), wk = 0.0027701 k( 321) = ( 0.5661918 0.5661918 0.3676165), wk = 0.0027701 k( 322) = ( 0.5631831 0.5631831 0.3736339), wk = 0.0027701 k( 323) = ( 0.5601743 0.5601743 0.3796513), wk = 0.0027701 k( 324) = ( 0.5571656 0.5571656 0.3856688), wk = 0.0027701 k( 325) = ( 0.5541569 0.5541569 0.3916862), wk = 0.0027701 k( 326) = ( 0.5511482 0.5511482 0.3977036), wk = 0.0027701 k( 327) = ( 0.5481395 0.5481395 0.4037211), wk = 0.0027701 k( 328) = ( 0.5451307 0.5451307 0.4097385), wk = 0.0027701 k( 329) = ( 0.5421220 0.5421220 0.4157559), wk = 0.0027701 k( 330) = ( 0.5391133 0.5391133 0.4217734), wk = 0.0027701 k( 331) = ( 0.5361046 0.5361046 0.4277908), wk = 0.0027701 k( 332) = ( 0.5330959 0.5330959 0.4338082), wk = 0.0027701 k( 333) = ( 0.5300872 0.5300872 0.4398257), wk = 0.0027701 k( 334) = ( 0.5270784 0.5270784 0.4458431), wk = 0.0027701 k( 335) = ( 0.5240697 0.5240697 0.4518605), wk = 0.0027701 k( 336) = ( 0.5210610 0.5210610 0.4578780), wk = 0.0027701 k( 337) = ( 0.5180523 0.5180523 0.4638954), wk = 0.0027701 k( 338) = ( 0.5150436 0.5150436 0.4699128), wk = 0.0027701 k( 339) = ( 0.5120349 0.5120349 0.4759303), wk = 0.0027701 k( 340) = ( 0.5090261 0.5090262 0.4819477), wk = 0.0027701 k( 341) = ( 0.5060174 0.5060174 0.4879651), wk = 0.0027701 k( 342) = ( 0.5030087 0.5030087 0.4939826), wk = 0.0027701 k( 343) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027701 k( 344) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027701 k( 345) = ( 0.5187602 0.0200317 0.0200317), wk = 0.0027701 k( 346) = ( 0.5375205 0.0400633 0.0400633), wk = 0.0027701 k( 347) = ( 0.5562807 0.0600949 0.0600949), wk = 0.0027701 k( 348) = ( 0.5750409 0.0801266 0.0801266), wk = 0.0027701 k( 349) = ( 0.5938012 0.1001582 0.1001582), wk = 0.0027701 k( 350) = ( 0.6125614 0.1201899 0.1201899), wk = 0.0027701 k( 351) = ( 0.6313216 0.1402215 0.1402215), wk = 0.0027701 k( 352) = ( 0.6500819 0.1602532 0.1602532), wk = 0.0027701 k( 353) = ( 0.6688421 0.1802848 0.1802848), wk = 0.0027701 k( 354) = ( 0.6876023 0.2003165 0.2003165), wk = 0.0027701 k( 355) = ( 0.7063626 0.2203481 0.2203481), wk = 0.0027701 k( 356) = ( 0.7251228 0.2403798 0.2403798), wk = 0.0027701 k( 357) = ( 0.7438830 0.2604114 0.2604114), wk = 0.0027701 k( 358) = ( 0.7626433 0.2804431 0.2804431), wk = 0.0027701 k( 359) = ( 0.7814035 0.3004747 0.3004747), wk = 0.0027701 k( 360) = ( 0.8001637 0.3205064 0.3205064), wk = 0.0027701 k( 361) = ( 0.8189240 0.3405380 0.3405380), wk = 0.0027701 Dense grid: 37191 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 19459 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 154, 34) NL pseudopotentials 0.07 Mb ( 77, 62) Each V/rho on FFT grid 0.24 Mb ( 15552) Each G-vector array 0.01 Mb ( 1163) G-vector shells 0.01 Mb ( 970) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 154, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.06 Mb ( 62, 2, 34) The potential is recalculated from file : ./MoSe2.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 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 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 5.7 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.0 secs Computing kpt #: 9 total cpu time spent up to now is 7.5 secs Computing kpt #: 10 total cpu time spent up to now is 7.9 secs Computing kpt #: 11 total cpu time spent up to now is 8.3 secs Computing kpt #: 12 total cpu time spent up to now is 8.8 secs Computing kpt #: 13 total cpu time spent up to now is 9.2 secs Computing kpt #: 14 total cpu time spent up to now is 9.6 secs Computing kpt #: 15 total cpu time spent up to now is 10.1 secs Computing kpt #: 16 total cpu time spent up to now is 10.5 secs Computing kpt #: 17 total cpu time spent up to now is 10.9 secs Computing kpt #: 18 total cpu time spent up to now is 11.4 secs Computing kpt #: 19 total cpu time spent up to now is 11.8 secs Computing kpt #: 20 total cpu time spent up to now is 12.2 secs Computing kpt #: 21 total cpu time spent up to now is 12.7 secs Computing kpt #: 22 total cpu time spent up to now is 13.2 secs Computing kpt #: 23 total cpu time spent up to now is 13.6 secs Computing kpt #: 24 total cpu time spent up to now is 14.1 secs Computing kpt #: 25 total cpu time spent up to now is 14.5 secs Computing kpt #: 26 total cpu time spent up to now is 15.0 secs Computing kpt #: 27 total cpu time spent up to now is 15.4 secs Computing kpt #: 28 total cpu time spent up to now is 15.8 secs Computing kpt #: 29 total cpu time spent up to now is 16.3 secs Computing kpt #: 30 total cpu time spent up to now is 16.7 secs Computing kpt #: 31 total cpu time spent up to now is 17.2 secs Computing kpt #: 32 total cpu time spent up to now is 17.6 secs Computing kpt #: 33 total cpu time spent up to now is 18.1 secs Computing kpt #: 34 total cpu time spent up to now is 18.5 secs Computing kpt #: 35 total cpu time spent up to now is 18.9 secs Computing kpt #: 36 total cpu time spent up to now is 19.4 secs Computing kpt #: 37 total cpu time spent up to now is 19.9 secs Computing kpt #: 38 total cpu time spent up to now is 20.3 secs Computing kpt #: 39 total cpu time spent up to now is 20.8 secs Computing kpt #: 40 total cpu time spent up to now is 21.2 secs Computing kpt #: 41 total cpu time spent up to now is 21.7 secs Computing kpt #: 42 total cpu time spent up to now is 22.1 secs Computing kpt #: 43 total cpu time spent up to now is 22.6 secs Computing kpt #: 44 total cpu time spent up to now is 23.0 secs Computing kpt #: 45 total cpu time spent up to now is 23.5 secs Computing kpt #: 46 total cpu time spent up to now is 24.0 secs Computing kpt #: 47 total cpu time spent up to now is 24.5 secs Computing kpt #: 48 total cpu time spent up to now is 24.9 secs Computing kpt #: 49 total cpu time spent up to now is 25.4 secs Computing kpt #: 50 total cpu time spent up to now is 25.9 secs Computing kpt #: 51 total cpu time spent up to now is 26.3 secs Computing kpt #: 52 total cpu time spent up to now is 26.8 secs Computing kpt #: 53 total cpu time spent up to now is 27.3 secs Computing kpt #: 54 total cpu time spent up to now is 27.8 secs Computing kpt #: 55 total cpu time spent up to now is 28.2 secs Computing kpt #: 56 total cpu time spent up to now is 28.7 secs Computing kpt #: 57 total cpu time spent up to now is 29.2 secs Computing kpt #: 58 total cpu time spent up to now is 29.6 secs Computing kpt #: 59 total cpu time spent up to now is 30.1 secs Computing kpt #: 60 total cpu time spent up to now is 30.6 secs Computing kpt #: 61 total cpu time spent up to now is 31.1 secs Computing kpt #: 62 total cpu time spent up to now is 31.6 secs Computing kpt #: 63 total cpu time spent up to now is 32.0 secs Computing kpt #: 64 total cpu time spent up to now is 32.5 secs Computing kpt #: 65 total cpu time spent up to now is 33.0 secs Computing kpt #: 66 total cpu time spent up to now is 33.5 secs Computing kpt #: 67 total cpu time spent up to now is 34.0 secs Computing kpt #: 68 total cpu time spent up to now is 34.5 secs Computing kpt #: 69 total cpu time spent up to now is 35.0 secs Computing kpt #: 70 total cpu time spent up to now is 35.5 secs Computing kpt #: 71 total cpu time spent up to now is 35.9 secs Computing kpt #: 72 total cpu time spent up to now is 36.5 secs Computing kpt #: 73 total cpu time spent up to now is 36.9 secs Computing kpt #: 74 total cpu time spent up to now is 37.4 secs Computing kpt #: 75 total cpu time spent up to now is 37.9 secs Computing kpt #: 76 total cpu time spent up to now is 38.4 secs Computing kpt #: 77 total cpu time spent up to now is 38.9 secs Computing kpt #: 78 total cpu time spent up to now is 39.3 secs Computing kpt #: 79 total cpu time spent up to now is 39.8 secs Computing kpt #: 80 total cpu time spent up to now is 40.3 secs Computing kpt #: 81 total cpu time spent up to now is 40.8 secs Computing kpt #: 82 total cpu time spent up to now is 41.3 secs Computing kpt #: 83 total cpu time spent up to now is 41.7 secs Computing kpt #: 84 total cpu time spent up to now is 42.2 secs Computing kpt #: 85 total cpu time spent up to now is 42.7 secs Computing kpt #: 86 total cpu time spent up to now is 43.1 secs Computing kpt #: 87 total cpu time spent up to now is 43.6 secs Computing kpt #: 88 total cpu time spent up to now is 44.1 secs Computing kpt #: 89 total cpu time spent up to now is 44.5 secs Computing kpt #: 90 total cpu time spent up to now is 45.0 secs Computing kpt #: 91 total cpu time spent up to now is 45.4 secs Computing kpt #: 92 total cpu time spent up to now is 45.9 secs Computing kpt #: 93 total cpu time spent up to now is 46.3 secs Computing kpt #: 94 total cpu time spent up to now is 46.8 secs Computing kpt #: 95 total cpu time spent up to now is 47.3 secs Computing kpt #: 96 total cpu time spent up to now is 47.7 secs Computing kpt #: 97 total cpu time spent up to now is 48.2 secs Computing kpt #: 98 total cpu time spent up to now is 48.6 secs Computing kpt #: 99 total cpu time spent up to now is 49.1 secs Computing kpt #: 100 total cpu time spent up to now is 49.5 secs Computing kpt #: 101 total cpu time spent up to now is 50.0 secs Computing kpt #: 102 total cpu time spent up to now is 50.5 secs Computing kpt #: 103 total cpu time spent up to now is 50.9 secs Computing kpt #: 104 total cpu time spent up to now is 51.4 secs Computing kpt #: 105 total cpu time spent up to now is 51.9 secs Computing kpt #: 106 total cpu time spent up to now is 52.3 secs Computing kpt #: 107 total cpu time spent up to now is 52.8 secs Computing kpt #: 108 total cpu time spent up to now is 53.2 secs Computing kpt #: 109 total cpu time spent up to now is 53.7 secs Computing kpt #: 110 total cpu time spent up to now is 54.2 secs Computing kpt #: 111 total cpu time spent up to now is 54.7 secs Computing kpt #: 112 total cpu time spent up to now is 55.1 secs Computing kpt #: 113 total cpu time spent up to now is 55.6 secs Computing kpt #: 114 total cpu time spent up to now is 56.0 secs Computing kpt #: 115 total cpu time spent up to now is 56.5 secs Computing kpt #: 116 total cpu time spent up to now is 56.9 secs Computing kpt #: 117 total cpu time spent up to now is 57.4 secs Computing kpt #: 118 total cpu time spent up to now is 58.0 secs Computing kpt #: 119 total cpu time spent up to now is 58.4 secs Computing kpt #: 120 total cpu time spent up to now is 58.9 secs Computing kpt #: 121 total cpu time spent up to now is 59.3 secs Computing kpt #: 122 total cpu time spent up to now is 59.8 secs Computing kpt #: 123 total cpu time spent up to now is 60.2 secs Computing kpt #: 124 total cpu time spent up to now is 60.7 secs Computing kpt #: 125 total cpu time spent up to now is 61.2 secs Computing kpt #: 126 total cpu time spent up to now is 61.6 secs Computing kpt #: 127 total cpu time spent up to now is 62.0 secs Computing kpt #: 128 total cpu time spent up to now is 62.5 secs Computing kpt #: 129 total cpu time spent up to now is 62.9 secs Computing kpt #: 130 total cpu time spent up to now is 63.3 secs Computing kpt #: 131 total cpu time spent up to now is 63.8 secs Computing kpt #: 132 total cpu time spent up to now is 64.3 secs Computing kpt #: 133 total cpu time spent up to now is 64.7 secs Computing kpt #: 134 total cpu time spent up to now is 65.2 secs Computing kpt #: 135 total cpu time spent up to now is 65.6 secs Computing kpt #: 136 total cpu time spent up to now is 66.0 secs Computing kpt #: 137 total cpu time spent up to now is 66.5 secs Computing kpt #: 138 total cpu time spent up to now is 66.9 secs Computing kpt #: 139 total cpu time spent up to now is 67.4 secs Computing kpt #: 140 total cpu time spent up to now is 67.8 secs Computing kpt #: 141 total cpu time spent up to now is 68.3 secs Computing kpt #: 142 total cpu time spent up to now is 68.7 secs Computing kpt #: 143 total cpu time spent up to now is 69.6 secs Computing kpt #: 144 total cpu time spent up to now is 70.5 secs Computing kpt #: 145 total cpu time spent up to now is 71.4 secs Computing kpt #: 146 total cpu time spent up to now is 72.3 secs Computing kpt #: 147 total cpu time spent up to now is 73.2 secs Computing kpt #: 148 total cpu time spent up to now is 73.7 secs Computing kpt #: 149 total cpu time spent up to now is 74.1 secs Computing kpt #: 150 total cpu time spent up to now is 74.6 secs Computing kpt #: 151 total cpu time spent up to now is 75.0 secs Computing kpt #: 152 total cpu time spent up to now is 75.5 secs Computing kpt #: 153 total cpu time spent up to now is 75.9 secs Computing kpt #: 154 total cpu time spent up to now is 76.3 secs Computing kpt #: 155 total cpu time spent up to now is 76.8 secs Computing kpt #: 156 total cpu time spent up to now is 77.2 secs Computing kpt #: 157 total cpu time spent up to now is 77.7 secs Computing kpt #: 158 total cpu time spent up to now is 78.1 secs Computing kpt #: 159 total cpu time spent up to now is 78.6 secs Computing kpt #: 160 total cpu time spent up to now is 79.0 secs Computing kpt #: 161 total cpu time spent up to now is 79.4 secs Computing kpt #: 162 total cpu time spent up to now is 79.9 secs Computing kpt #: 163 total cpu time spent up to now is 80.3 secs Computing kpt #: 164 total cpu time spent up to now is 80.8 secs Computing kpt #: 165 total cpu time spent up to now is 81.2 secs Computing kpt #: 166 total cpu time spent up to now is 81.6 secs Computing kpt #: 167 total cpu time spent up to now is 82.1 secs Computing kpt #: 168 total cpu time spent up to now is 82.5 secs Computing kpt #: 169 total cpu time spent up to now is 83.0 secs Computing kpt #: 170 total cpu time spent up to now is 83.4 secs Computing kpt #: 171 total cpu time spent up to now is 83.8 secs Computing kpt #: 172 total cpu time spent up to now is 84.3 secs Computing kpt #: 173 total cpu time spent up to now is 84.8 secs Computing kpt #: 174 total cpu time spent up to now is 85.2 secs Computing kpt #: 175 total cpu time spent up to now is 85.7 secs Computing kpt #: 176 total cpu time spent up to now is 86.1 secs Computing kpt #: 177 total cpu time spent up to now is 86.5 secs Computing kpt #: 178 total cpu time spent up to now is 87.0 secs Computing kpt #: 179 total cpu time spent up to now is 87.4 secs Computing kpt #: 180 total cpu time spent up to now is 87.9 secs Computing kpt #: 181 total cpu time spent up to now is 88.3 secs Computing kpt #: 182 total cpu time spent up to now is 88.8 secs Computing kpt #: 183 total cpu time spent up to now is 89.2 secs Computing kpt #: 184 total cpu time spent up to now is 89.6 secs Computing kpt #: 185 total cpu time spent up to now is 90.1 secs Computing kpt #: 186 total cpu time spent up to now is 90.5 secs Computing kpt #: 187 total cpu time spent up to now is 91.0 secs Computing kpt #: 188 total cpu time spent up to now is 91.4 secs Computing kpt #: 189 total cpu time spent up to now is 91.9 secs Computing kpt #: 190 total cpu time spent up to now is 92.3 secs Computing kpt #: 191 total cpu time spent up to now is 92.8 secs Computing kpt #: 192 total cpu time spent up to now is 93.2 secs Computing kpt #: 193 total cpu time spent up to now is 93.6 secs Computing kpt #: 194 total cpu time spent up to now is 94.1 secs Computing kpt #: 195 total cpu time spent up to now is 94.5 secs Computing kpt #: 196 total cpu time spent up to now is 94.9 secs Computing kpt #: 197 total cpu time spent up to now is 95.4 secs Computing kpt #: 198 total cpu time spent up to now is 95.8 secs Computing kpt #: 199 total cpu time spent up to now is 96.2 secs Computing kpt #: 200 total cpu time spent up to now is 96.7 secs Computing kpt #: 201 total cpu time spent up to now is 97.1 secs Computing kpt #: 202 total cpu time spent up to now is 97.6 secs Computing kpt #: 203 total cpu time spent up to now is 98.0 secs Computing kpt #: 204 total cpu time spent up to now is 98.4 secs Computing kpt #: 205 total cpu time spent up to now is 98.9 secs Computing kpt #: 206 total cpu time spent up to now is 99.3 secs Computing kpt #: 207 total cpu time spent up to now is 99.7 secs Computing kpt #: 208 total cpu time spent up to now is 100.2 secs Computing kpt #: 209 total cpu time spent up to now is 100.6 secs Computing kpt #: 210 total cpu time spent up to now is 101.1 secs Computing kpt #: 211 total cpu time spent up to now is 101.5 secs Computing kpt #: 212 total cpu time spent up to now is 101.9 secs Computing kpt #: 213 total cpu time spent up to now is 102.4 secs Computing kpt #: 214 total cpu time spent up to now is 102.8 secs Computing kpt #: 215 total cpu time spent up to now is 103.3 secs Computing kpt #: 216 total cpu time spent up to now is 103.7 secs Computing kpt #: 217 total cpu time spent up to now is 104.2 secs Computing kpt #: 218 total cpu time spent up to now is 104.6 secs Computing kpt #: 219 total cpu time spent up to now is 105.1 secs Computing kpt #: 220 total cpu time spent up to now is 105.5 secs Computing kpt #: 221 total cpu time spent up to now is 106.0 secs Computing kpt #: 222 total cpu time spent up to now is 106.4 secs Computing kpt #: 223 total cpu time spent up to now is 106.9 secs Computing kpt #: 224 total cpu time spent up to now is 107.4 secs Computing kpt #: 225 total cpu time spent up to now is 107.8 secs Computing kpt #: 226 total cpu time spent up to now is 108.3 secs Computing kpt #: 227 total cpu time spent up to now is 108.7 secs Computing kpt #: 228 total cpu time spent up to now is 109.2 secs Computing kpt #: 229 total cpu time spent up to now is 109.6 secs Computing kpt #: 230 total cpu time spent up to now is 110.1 secs Computing kpt #: 231 total cpu time spent up to now is 110.6 secs Computing kpt #: 232 total cpu time spent up to now is 111.0 secs Computing kpt #: 233 total cpu time spent up to now is 111.5 secs Computing kpt #: 234 total cpu time spent up to now is 112.0 secs Computing kpt #: 235 total cpu time spent up to now is 112.4 secs Computing kpt #: 236 total cpu time spent up to now is 112.9 secs Computing kpt #: 237 total cpu time spent up to now is 113.4 secs Computing kpt #: 238 total cpu time spent up to now is 113.8 secs Computing kpt #: 239 total cpu time spent up to now is 114.3 secs Computing kpt #: 240 total cpu time spent up to now is 114.8 secs Computing kpt #: 241 total cpu time spent up to now is 115.2 secs Computing kpt #: 242 total cpu time spent up to now is 115.7 secs Computing kpt #: 243 total cpu time spent up to now is 116.1 secs Computing kpt #: 244 total cpu time spent up to now is 116.5 secs Computing kpt #: 245 total cpu time spent up to now is 117.0 secs Computing kpt #: 246 total cpu time spent up to now is 117.5 secs Computing kpt #: 247 total cpu time spent up to now is 117.9 secs Computing kpt #: 248 total cpu time spent up to now is 118.4 secs Computing kpt #: 249 total cpu time spent up to now is 118.8 secs Computing kpt #: 250 total cpu time spent up to now is 119.3 secs Computing kpt #: 251 total cpu time spent up to now is 119.7 secs Computing kpt #: 252 total cpu time spent up to now is 120.2 secs Computing kpt #: 253 total cpu time spent up to now is 120.6 secs Computing kpt #: 254 total cpu time spent up to now is 121.1 secs Computing kpt #: 255 total cpu time spent up to now is 121.5 secs Computing kpt #: 256 total cpu time spent up to now is 122.0 secs Computing kpt #: 257 total cpu time spent up to now is 122.4 secs Computing kpt #: 258 total cpu time spent up to now is 122.9 secs Computing kpt #: 259 total cpu time spent up to now is 123.3 secs Computing kpt #: 260 total cpu time spent up to now is 123.8 secs Computing kpt #: 261 total cpu time spent up to now is 124.3 secs Computing kpt #: 262 total cpu time spent up to now is 124.7 secs Computing kpt #: 263 total cpu time spent up to now is 125.2 secs Computing kpt #: 264 total cpu time spent up to now is 125.6 secs Computing kpt #: 265 total cpu time spent up to now is 126.1 secs Computing kpt #: 266 total cpu time spent up to now is 126.6 secs Computing kpt #: 267 total cpu time spent up to now is 127.0 secs Computing kpt #: 268 total cpu time spent up to now is 127.5 secs Computing kpt #: 269 total cpu time spent up to now is 127.9 secs Computing kpt #: 270 total cpu time spent up to now is 128.4 secs Computing kpt #: 271 total cpu time spent up to now is 128.8 secs Computing kpt #: 272 total cpu time spent up to now is 129.3 secs Computing kpt #: 273 total cpu time spent up to now is 129.7 secs Computing kpt #: 274 total cpu time spent up to now is 130.2 secs Computing kpt #: 275 total cpu time spent up to now is 130.6 secs Computing kpt #: 276 total cpu time spent up to now is 131.1 secs Computing kpt #: 277 total cpu time spent up to now is 131.5 secs Computing kpt #: 278 total cpu time spent up to now is 132.0 secs Computing kpt #: 279 total cpu time spent up to now is 132.4 secs Computing kpt #: 280 total cpu time spent up to now is 132.8 secs Computing kpt #: 281 total cpu time spent up to now is 133.3 secs Computing kpt #: 282 total cpu time spent up to now is 133.8 secs Computing kpt #: 283 total cpu time spent up to now is 134.2 secs Computing kpt #: 284 total cpu time spent up to now is 134.7 secs Computing kpt #: 285 total cpu time spent up to now is 135.1 secs Computing kpt #: 286 total cpu time spent up to now is 135.6 secs Computing kpt #: 287 total cpu time spent up to now is 136.0 secs Computing kpt #: 288 total cpu time spent up to now is 136.5 secs Computing kpt #: 289 total cpu time spent up to now is 137.0 secs Computing kpt #: 290 total cpu time spent up to now is 137.4 secs Computing kpt #: 291 total cpu time spent up to now is 137.9 secs Computing kpt #: 292 total cpu time spent up to now is 138.3 secs Computing kpt #: 293 total cpu time spent up to now is 138.8 secs Computing kpt #: 294 total cpu time spent up to now is 139.3 secs Computing kpt #: 295 total cpu time spent up to now is 139.7 secs Computing kpt #: 296 total cpu time spent up to now is 140.2 secs Computing kpt #: 297 total cpu time spent up to now is 140.7 secs Computing kpt #: 298 total cpu time spent up to now is 141.1 secs Computing kpt #: 299 total cpu time spent up to now is 141.6 secs Computing kpt #: 300 total cpu time spent up to now is 142.0 secs Computing kpt #: 301 total cpu time spent up to now is 142.5 secs Computing kpt #: 302 total cpu time spent up to now is 142.9 secs Computing kpt #: 303 total cpu time spent up to now is 143.4 secs Computing kpt #: 304 total cpu time spent up to now is 143.8 secs Computing kpt #: 305 total cpu time spent up to now is 144.3 secs Computing kpt #: 306 total cpu time spent up to now is 144.7 secs Computing kpt #: 307 total cpu time spent up to now is 145.2 secs Computing kpt #: 308 total cpu time spent up to now is 145.6 secs Computing kpt #: 309 total cpu time spent up to now is 146.0 secs Computing kpt #: 310 total cpu time spent up to now is 146.5 secs Computing kpt #: 311 total cpu time spent up to now is 147.0 secs Computing kpt #: 312 total cpu time spent up to now is 147.4 secs Computing kpt #: 313 total cpu time spent up to now is 147.9 secs Computing kpt #: 314 total cpu time spent up to now is 148.3 secs Computing kpt #: 315 total cpu time spent up to now is 148.7 secs Computing kpt #: 316 total cpu time spent up to now is 149.2 secs Computing kpt #: 317 total cpu time spent up to now is 149.6 secs Computing kpt #: 318 total cpu time spent up to now is 150.1 secs Computing kpt #: 319 total cpu time spent up to now is 150.5 secs Computing kpt #: 320 total cpu time spent up to now is 151.0 secs Computing kpt #: 321 total cpu time spent up to now is 151.4 secs Computing kpt #: 322 total cpu time spent up to now is 151.9 secs Computing kpt #: 323 total cpu time spent up to now is 152.3 secs Computing kpt #: 324 total cpu time spent up to now is 152.8 secs Computing kpt #: 325 total cpu time spent up to now is 153.2 secs Computing kpt #: 326 total cpu time spent up to now is 153.7 secs Computing kpt #: 327 total cpu time spent up to now is 154.1 secs Computing kpt #: 328 total cpu time spent up to now is 154.6 secs Computing kpt #: 329 total cpu time spent up to now is 155.0 secs Computing kpt #: 330 total cpu time spent up to now is 155.4 secs Computing kpt #: 331 total cpu time spent up to now is 155.9 secs Computing kpt #: 332 total cpu time spent up to now is 156.3 secs Computing kpt #: 333 total cpu time spent up to now is 156.7 secs Computing kpt #: 334 total cpu time spent up to now is 157.2 secs Computing kpt #: 335 total cpu time spent up to now is 157.6 secs Computing kpt #: 336 total cpu time spent up to now is 158.1 secs Computing kpt #: 337 total cpu time spent up to now is 158.5 secs Computing kpt #: 338 total cpu time spent up to now is 159.0 secs Computing kpt #: 339 total cpu time spent up to now is 159.4 secs Computing kpt #: 340 total cpu time spent up to now is 159.8 secs Computing kpt #: 341 total cpu time spent up to now is 160.3 secs Computing kpt #: 342 total cpu time spent up to now is 160.7 secs Computing kpt #: 343 total cpu time spent up to now is 161.2 secs Computing kpt #: 344 total cpu time spent up to now is 161.6 secs Computing kpt #: 345 total cpu time spent up to now is 162.1 secs Computing kpt #: 346 total cpu time spent up to now is 162.6 secs Computing kpt #: 347 total cpu time spent up to now is 163.0 secs Computing kpt #: 348 total cpu time spent up to now is 163.5 secs Computing kpt #: 349 total cpu time spent up to now is 164.0 secs Computing kpt #: 350 total cpu time spent up to now is 164.5 secs Computing kpt #: 351 total cpu time spent up to now is 165.0 secs Computing kpt #: 352 total cpu time spent up to now is 165.5 secs Computing kpt #: 353 total cpu time spent up to now is 166.0 secs Computing kpt #: 354 total cpu time spent up to now is 166.4 secs Computing kpt #: 355 total cpu time spent up to now is 166.9 secs Computing kpt #: 356 total cpu time spent up to now is 167.4 secs Computing kpt #: 357 total cpu time spent up to now is 167.9 secs Computing kpt #: 358 total cpu time spent up to now is 168.3 secs Computing kpt #: 359 total cpu time spent up to now is 168.8 secs Computing kpt #: 360 total cpu time spent up to now is 169.2 secs Computing kpt #: 361 total cpu time spent up to now is 169.7 secs ethr = 3.85E-11, avg # of iterations = 14.1 total cpu time spent up to now is 169.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2427 PWs) bands (ev): -50.5594 -50.5594 -26.3473 -26.3473 -23.9139 -23.9139 -23.7887 -23.7887 -4.3504 -4.3504 -2.8830 -2.8830 4.0571 4.0571 7.7812 7.7812 7.7954 7.7954 8.7451 8.7451 8.9483 8.9483 9.6539 9.6539 9.8103 9.8103 12.9535 12.9535 13.2168 13.2168 13.4578 13.4578 13.6675 13.6675 k = 0.0089-0.0166-0.0100 ( 2424 PWs) bands (ev): -50.5593 -50.5593 -26.3473 -26.3473 -23.9139 -23.9139 -23.7889 -23.7889 -4.3493 -4.3492 -2.8825 -2.8825 4.0586 4.0586 7.7799 7.7800 7.7949 7.7949 8.7414 8.7416 8.9440 8.9440 9.6519 9.6530 9.8148 9.8159 12.9530 12.9532 13.2157 13.2161 13.4536 13.4538 13.6625 13.6629 k = 0.0179-0.0332-0.0200 ( 2420 PWs) bands (ev): -50.5592 -50.5592 -26.3475 -26.3475 -23.9139 -23.9139 -23.7893 -23.7893 -4.3458 -4.3458 -2.8811 -2.8811 4.0628 4.0628 7.7737 7.7739 7.7958 7.7958 8.7304 8.7309 8.9316 8.9318 9.6479 9.6498 9.8285 9.8304 12.9518 12.9521 13.2132 13.2139 13.4413 13.4414 13.6487 13.6492 k = 0.0268-0.0498-0.0300 ( 2418 PWs) bands (ev): -50.5591 -50.5591 -26.3478 -26.3477 -23.9140 -23.9140 -23.7900 -23.7900 -4.3400 -4.3400 -2.8787 -2.8787 4.0700 4.0700 7.7605 7.7607 7.8002 7.8003 8.7119 8.7127 8.9123 8.9126 9.6431 9.6455 9.8490 9.8515 12.9491 12.9495 13.2101 13.2113 13.4197 13.4202 13.6276 13.6280 k = 0.0357-0.0664-0.0399 ( 2420 PWs) bands (ev): -50.5590 -50.5590 -26.3482 -26.3481 -23.9142 -23.9141 -23.7910 -23.7910 -4.3320 -4.3319 -2.8753 -2.8753 4.0799 4.0799 7.7409 7.7411 7.8076 7.8079 8.6856 8.6867 8.8875 8.8880 9.6385 9.6412 9.8739 9.8769 12.9442 12.9444 13.2077 13.2096 13.3878 13.3898 13.6015 13.6017 k = 0.0446-0.0830-0.0499 ( 2418 PWs) bands (ev): -50.5588 -50.5588 -26.3487 -26.3486 -23.9144 -23.9143 -23.7923 -23.7923 -4.3217 -4.3216 -2.8710 -2.8709 4.0927 4.0927 7.7156 7.7158 7.8177 7.8180 8.6516 8.6530 8.8588 8.8597 9.6346 9.6374 9.9009 9.9043 12.9360 12.9362 13.2070 13.2103 13.3449 13.3500 13.5719 13.5733 k = 0.0536-0.0996-0.0599 ( 2422 PWs) bands (ev): -50.5586 -50.5586 -26.3494 -26.3493 -23.9146 -23.9145 -23.7939 -23.7939 -4.3091 -4.3090 -2.8657 -2.8656 4.1081 4.1082 7.6849 7.6851 7.8300 7.8304 8.6100 8.6116 8.8275 8.8286 9.6315 9.6343 9.9283 9.9320 12.9238 12.9246 13.2072 13.2146 13.2916 13.3034 13.5408 13.5439 k = 0.0625-0.1162-0.0699 ( 2429 PWs) bands (ev): -50.5585 -50.5585 -26.3501 -26.3501 -23.9150 -23.9148 -23.7958 -23.7958 -4.2943 -4.2941 -2.8594 -2.8594 4.1263 4.1264 7.6491 7.6493 7.8446 7.8451 8.5615 8.5631 8.7944 8.7957 9.6289 9.6318 9.9543 9.9585 12.9079 12.9098 13.1960 13.2187 13.2333 13.2639 13.5090 13.5144 k = 0.0714-0.1328-0.0799 ( 2426 PWs) bands (ev): -50.5582 -50.5582 -26.3510 -26.3509 -23.9153 -23.9151 -23.7979 -23.7979 -4.2772 -4.2771 -2.8523 -2.8522 4.1471 4.1472 7.6084 7.6087 7.8614 7.8620 8.5069 8.5084 8.7597 8.7611 9.6267 9.6296 9.9777 9.9825 12.8892 12.8925 13.1480 13.1562 13.2381 13.2588 13.4767 13.4850 k = 0.0804-0.1494-0.0899 ( 2428 PWs) bands (ev): -50.5579 -50.5579 -26.3520 -26.3519 -23.9157 -23.9155 -23.8003 -23.8002 -4.2579 -4.2578 -2.8442 -2.8441 4.1705 4.1707 7.5633 7.5636 7.8802 7.8810 8.4471 8.4485 8.7236 8.7251 9.6246 9.6276 9.9974 10.0028 12.8688 12.8742 13.0795 13.0796 13.2541 13.2734 13.4435 13.4562 k = 0.0893-0.1660-0.0999 ( 2428 PWs) bands (ev): -50.5575 -50.5575 -26.3530 -26.3529 -23.9161 -23.9160 -23.8028 -23.8028 -4.2365 -4.2364 -2.8352 -2.8351 4.1963 4.1966 7.5141 7.5143 7.9010 7.9020 8.3832 8.3842 8.6861 8.6875 9.6224 9.6255 10.0123 10.0185 12.8473 12.8562 12.9988 13.0051 13.2714 13.2952 13.4097 13.4293 k = 0.0982-0.1825-0.1099 ( 2422 PWs) bands (ev): -50.5570 -50.5570 -26.3542 -26.3540 -23.9166 -23.9164 -23.8056 -23.8056 -4.2130 -4.2128 -2.8253 -2.8252 4.2246 4.2249 7.4609 7.4611 7.9236 7.9247 8.3160 8.3166 8.6472 8.6485 9.6198 9.6230 10.0217 10.0288 12.8228 12.8390 12.9164 12.9320 13.2850 13.3200 13.3760 13.4083 k = 0.1071-0.1991-0.1198 ( 2422 PWs) bands (ev): -50.5566 -50.5566 -26.3554 -26.3553 -23.9172 -23.9170 -23.8086 -23.8085 -4.1873 -4.1872 -2.8146 -2.8144 4.2550 4.2555 7.4043 7.4044 7.9476 7.9490 8.2463 8.2466 8.6068 8.6079 9.6165 9.6198 10.0250 10.0330 12.7849 12.8111 12.8468 12.8738 13.2858 13.3284 13.3608 13.4017 k = 0.1161-0.2157-0.1298 ( 2422 PWs) bands (ev): -50.5562 -50.5562 -26.3568 -26.3567 -23.9179 -23.9176 -23.8117 -23.8117 -4.1596 -4.1595 -2.8030 -2.8028 4.2877 4.2882 7.3445 7.3446 7.9719 7.9737 8.1755 8.1757 8.5650 8.5659 9.6123 9.6157 10.0217 10.0309 12.7218 12.7364 12.8281 12.8449 13.2687 13.2958 13.3880 13.4140 k = 0.1250-0.2323-0.1398 ( 2420 PWs) bands (ev): -50.5557 -50.5557 -26.3582 -26.3581 -23.9186 -23.9184 -23.8150 -23.8150 -4.1299 -4.1298 -2.7905 -2.7903 4.3223 4.3229 7.2818 7.2819 7.9921 7.9947 8.1083 8.1086 8.5221 8.5227 9.6068 9.6103 10.0117 10.0220 12.6455 12.6525 12.8245 12.8351 13.2402 13.2578 13.4215 13.4388 k = 0.1339-0.2489-0.1498 ( 2420 PWs) bands (ev): -50.5552 -50.5552 -26.3598 -26.3596 -23.9194 -23.9192 -23.8185 -23.8184 -4.0983 -4.0981 -2.7772 -2.7770 4.3587 4.3595 7.2167 7.2167 7.9818 7.9854 8.0716 8.0719 8.4781 8.4782 9.5998 9.6034 9.9950 10.0066 12.5664 12.5693 12.8276 12.8355 13.2062 13.2185 13.4569 13.4695 k = 0.1429-0.2655-0.1598 ( 2419 PWs) bands (ev): -50.5546 -50.5546 -26.3614 -26.3612 -23.9204 -23.9201 -23.8220 -23.8220 -4.0647 -4.0646 -2.7632 -2.7629 4.3968 4.3978 7.1494 7.1494 7.9205 7.9244 8.0858 8.0873 8.4328 8.4333 9.5910 9.5947 9.9718 9.9846 12.4882 12.4883 12.8368 12.8434 13.1699 13.1787 13.4936 13.5034 k = 0.1518-0.2821-0.1698 ( 2417 PWs) bands (ev): -50.5540 -50.5540 -26.3631 -26.3629 -23.9214 -23.9211 -23.8256 -23.8256 -4.0293 -4.0291 -2.7484 -2.7481 4.4363 4.4375 7.0802 7.0804 7.8443 7.8488 8.1149 8.1175 8.3866 8.3880 9.5802 9.5840 9.9425 9.9565 12.4107 12.4126 12.8513 12.8575 13.1329 13.1389 13.5310 13.5389 k = 0.1607-0.2987-0.1798 ( 2423 PWs) bands (ev): -50.5535 -50.5535 -26.3649 -26.3647 -23.9226 -23.9223 -23.8293 -23.8293 -3.9921 -3.9920 -2.7328 -2.7325 4.4770 4.4785 7.0097 7.0099 7.7641 7.7695 8.1477 8.1520 8.3397 8.3428 9.5672 9.5709 9.9076 9.9228 12.3371 12.3408 12.8698 12.8764 13.0968 13.1002 13.5688 13.5754 k = 0.1696-0.3153-0.1898 ( 2421 PWs) bands (ev): -50.5529 -50.5529 -26.3667 -26.3666 -23.9239 -23.9236 -23.8330 -23.8329 -3.9532 -3.9531 -2.7166 -2.7162 4.5186 4.5204 6.9380 6.9383 7.6820 7.6884 8.1805 8.1885 8.2926 8.2995 9.5518 9.5554 9.8679 9.8840 12.2684 12.2735 12.8894 12.8974 13.0646 13.0651 13.6067 13.6123 k = 0.1786-0.3319-0.1997 ( 2423 PWs) bands (ev): -50.5523 -50.5523 -26.3687 -26.3685 -23.9254 -23.9250 -23.8367 -23.8366 -3.9126 -3.9125 -2.6996 -2.6992 4.5608 4.5630 6.8655 6.8660 7.5987 7.6062 8.2024 8.2239 8.2482 8.2686 9.5339 9.5371 9.8241 9.8409 12.2050 12.2114 12.9028 12.9132 13.0404 13.0435 13.6444 13.6493 k = 0.1875-0.3485-0.2097 ( 2421 PWs) bands (ev): -50.5517 -50.5517 -26.3706 -26.3704 -23.9270 -23.9266 -23.8404 -23.8403 -3.8705 -3.8704 -2.6821 -2.6816 4.6033 4.6059 6.7927 6.7933 7.5144 7.5231 8.1823 8.1948 8.2695 8.2810 9.5136 9.5160 9.7769 9.7942 12.1476 12.1551 12.8985 12.9098 13.0398 13.0448 13.6818 13.6860 k = 0.1964-0.3651-0.2197 ( 2426 PWs) bands (ev): -50.5511 -50.5511 -26.3727 -26.3725 -23.9288 -23.9284 -23.8439 -23.8438 -3.8269 -3.8268 -2.6639 -2.6633 4.6457 4.6487 6.7198 6.7207 7.4295 7.4396 8.1404 8.1475 8.3103 8.3166 9.4908 9.4921 9.7272 9.7444 12.0965 12.1050 12.8749 12.8847 13.0652 13.0694 13.7186 13.7223 k = 0.2054-0.3817-0.2297 ( 2431 PWs) bands (ev): -50.5505 -50.5505 -26.3748 -26.3746 -23.9308 -23.9304 -23.8474 -23.8473 -3.7819 -3.7818 -2.6452 -2.6446 4.6875 4.6910 6.6473 6.6484 7.3442 7.3557 8.0948 8.0997 8.3528 8.3571 9.4654 9.4657 9.6759 9.6924 12.0519 12.0612 12.8415 12.8496 13.1044 13.1077 13.7546 13.7578 k = 0.2143-0.3983-0.2397 ( 2432 PWs) bands (ev): -50.5498 -50.5498 -26.3769 -26.3767 -23.9330 -23.9326 -23.8508 -23.8506 -3.7356 -3.7355 -2.6260 -2.6253 4.7282 4.7323 6.5756 6.5770 7.2587 7.2717 8.0483 8.0522 8.3962 8.3996 9.4359 9.4385 9.6239 9.6389 12.0140 12.0241 12.8041 12.8109 13.1507 13.1532 13.7897 13.7925 k = 0.2232-0.4149-0.2497 ( 2433 PWs) bands (ev): -50.5492 -50.5492 -26.3790 -26.3788 -23.9355 -23.9350 -23.8539 -23.8538 -3.6881 -3.6880 -2.6063 -2.6055 4.7673 4.7721 6.5051 6.5069 7.1731 7.1878 8.0019 8.0050 8.4403 8.4433 9.4038 9.4094 9.5719 9.5846 11.9829 11.9936 12.7652 12.7711 13.2010 13.2031 13.8237 13.8262 k = 0.2321-0.4315-0.2597 ( 2435 PWs) bands (ev): -50.5485 -50.5485 -26.3812 -26.3810 -23.9381 -23.9377 -23.8569 -23.8568 -3.6395 -3.6394 -2.5862 -2.5854 4.8042 4.8096 6.4364 6.4386 7.0877 7.1043 7.9557 7.9584 8.4850 8.4878 9.3693 9.3788 9.5208 9.5302 11.9583 11.9697 12.7259 12.7311 13.2541 13.2558 13.8566 13.8588 k = 0.2411-0.4481-0.2696 ( 2435 PWs) bands (ev): -50.5478 -50.5478 -26.3834 -26.3832 -23.9409 -23.9405 -23.8597 -23.8596 -3.5899 -3.5897 -2.5658 -2.5648 4.8380 4.8441 6.3698 6.3726 7.0028 7.0213 7.9101 7.9123 8.5300 8.5328 9.3327 9.3469 9.4715 9.4765 11.9402 11.9520 12.6869 12.6915 13.3089 13.3104 13.8882 13.8901 k = 0.2500-0.4647-0.2796 ( 2437 PWs) bands (ev): -50.5471 -50.5471 -26.3856 -26.3854 -23.9440 -23.9435 -23.8623 -23.8622 -3.5394 -3.5392 -2.5450 -2.5440 4.8680 4.8750 6.3059 6.3095 6.9185 6.9392 7.8651 7.8670 8.5750 8.5779 9.2944 9.3138 9.4245 9.4245 11.9282 11.9405 12.6484 12.6525 13.3648 13.3662 13.9185 13.9201 k = 0.2589-0.4813-0.2896 ( 2441 PWs) bands (ev): -50.5465 -50.5465 -26.3879 -26.3877 -23.9472 -23.9468 -23.8647 -23.8646 -3.4882 -3.4879 -2.5241 -2.5229 4.8935 4.9012 6.2454 6.2500 6.8352 6.8583 7.8209 7.8226 8.6196 8.6230 9.2552 9.2794 9.3754 9.3805 11.9219 11.9347 12.6107 12.6143 13.4212 13.4225 13.9474 13.9488 k = 0.2679-0.4979-0.2996 ( 2443 PWs) bands (ev): -50.5458 -50.5458 -26.3901 -26.3899 -23.9506 -23.9502 -23.8669 -23.8668 -3.4364 -3.4360 -2.5029 -2.5016 4.9135 4.9220 6.1886 6.1946 6.7531 6.7789 7.7776 7.7791 8.6633 8.6676 9.2161 9.2435 9.3307 9.3396 11.9210 11.9342 12.5739 12.5772 13.4775 13.4789 13.9749 13.9760 k = 0.2768-0.5145-0.3096 ( 2449 PWs) bands (ev): -50.5452 -50.5452 -26.3924 -26.3922 -23.9542 -23.9538 -23.8689 -23.8688 -3.3841 -3.3837 -2.4816 -2.4802 4.9273 4.9365 6.1361 6.1439 6.6727 6.7013 7.7353 7.7366 8.7054 8.7113 9.1784 9.2058 9.2918 9.3021 11.9251 11.9387 12.5383 12.5413 13.5334 13.5349 14.0009 14.0019 k = 0.2857-0.5311-0.3196 ( 2454 PWs) bands (ev): -50.5446 -50.5446 -26.3946 -26.3944 -23.9578 -23.9574 -23.8707 -23.8706 -3.3315 -3.3310 -2.4602 -2.4588 4.9341 4.9439 6.0880 6.0981 6.5943 6.6262 7.6941 7.6952 8.7449 8.7535 9.1437 9.1669 9.2593 9.2681 11.9336 11.9477 12.5040 12.5067 13.5885 13.5901 14.0255 14.0263 k = 0.2946-0.5476-0.3296 ( 2453 PWs) bands (ev): -50.5439 -50.5439 -26.3968 -26.3966 -23.9616 -23.9612 -23.8723 -23.8722 -3.2786 -3.2781 -2.4389 -2.4373 4.9335 4.9437 6.0445 6.0575 6.5185 6.5539 7.6541 7.6550 8.7802 8.7933 9.1141 9.1281 9.2335 9.2377 11.9462 11.9607 12.4711 12.4734 13.6423 13.6441 14.0487 14.0492 k = 0.3036-0.5642-0.3396 ( 2455 PWs) bands (ev): -50.5433 -50.5433 -26.3989 -26.3987 -23.9654 -23.9650 -23.8737 -23.8736 -3.2258 -3.2251 -2.4177 -2.4160 4.9252 4.9357 6.0051 6.0215 6.4459 6.4853 7.6153 7.6161 8.8086 8.8293 9.0917 9.0924 9.2112 9.2141 11.9624 11.9773 12.4396 12.4416 13.6945 13.6966 14.0704 14.0707 k = 0.3125-0.5808-0.3495 ( 2447 PWs) bands (ev): -50.5425 -50.5425 -26.4010 -26.4008 -23.9692 -23.9689 -23.8749 -23.8748 -3.1731 -3.1723 -2.3966 -2.3948 4.9093 4.9199 5.9690 5.9895 6.3773 6.4209 7.5778 7.5785 8.8270 8.8588 9.0604 9.0818 9.1890 9.2012 11.9817 11.9970 12.4096 12.4114 13.7448 13.7473 14.0907 14.0908 k = 0.3214-0.5974-0.3595 ( 2445 PWs) bands (ev): -50.5419 -50.5419 -26.4031 -26.4029 -23.9731 -23.9727 -23.8760 -23.8759 -3.1208 -3.1199 -2.3758 -2.3739 4.8865 4.8970 5.9351 5.9600 6.3138 6.3617 7.5417 7.5423 8.8331 8.8776 9.0385 9.0841 9.1718 9.1954 12.0038 12.0195 12.3813 12.3828 13.7930 13.7959 14.1095 14.1097 k = 0.3304-0.6140-0.3695 ( 2443 PWs) bands (ev): -50.5412 -50.5412 -26.4051 -26.4049 -23.9769 -23.9766 -23.8770 -23.8769 -3.0689 -3.0680 -2.3554 -2.3533 4.8573 4.8676 5.9021 5.9311 6.2568 6.3084 7.5070 7.5076 8.8280 8.8807 9.0303 9.0970 9.1610 9.1970 12.0281 12.0443 12.3546 12.3558 13.8387 13.8421 14.1268 14.1273 k = 0.3393-0.6306-0.3795 ( 2448 PWs) bands (ev): -50.5407 -50.5407 -26.4071 -26.4069 -23.9807 -23.9804 -23.8779 -23.8778 -3.0178 -3.0167 -2.3353 -2.3332 4.8229 4.8328 5.8684 5.9008 6.2076 6.2619 7.4738 7.4743 8.8153 8.8688 9.0352 9.1126 9.1610 9.2063 12.0543 12.0710 12.3297 12.3307 13.8818 13.8858 14.1429 14.1436 k = 0.3482-0.6472-0.3895 ( 2450 PWs) bands (ev): -50.5401 -50.5401 -26.4090 -26.4089 -23.9844 -23.9841 -23.8787 -23.8786 -2.9676 -2.9664 -2.3157 -2.3135 4.7843 4.7938 5.8331 5.8671 6.1672 6.2224 7.4422 7.4426 8.7985 8.8483 9.0473 9.1218 9.1772 9.2225 12.0819 12.0991 12.3068 12.3074 13.9220 13.9267 14.1576 14.1586 k = 0.3571-0.6638-0.3995 ( 2454 PWs) bands (ev): -50.5396 -50.5396 -26.4109 -26.4107 -23.9881 -23.9878 -23.8794 -23.8793 -2.9185 -2.9172 -2.2968 -2.2944 4.7426 4.7515 5.7955 5.8294 6.1357 6.1898 7.4121 7.4125 8.7799 8.8246 9.0625 9.1268 9.2047 9.2443 12.1103 12.1280 12.2859 12.2863 13.9592 13.9647 14.1712 14.1725 k = 0.3661-0.6804-0.4095 ( 2455 PWs) bands (ev): -50.5391 -50.5391 -26.4126 -26.4125 -23.9916 -23.9913 -23.8800 -23.8800 -2.8708 -2.8694 -2.2784 -2.2760 4.6987 4.7072 5.7560 5.7881 6.1121 6.1633 7.3837 7.3840 8.7608 8.8004 9.0794 9.1333 9.2362 9.2697 12.1388 12.1569 12.2676 12.2677 13.9932 13.9996 14.1836 14.1853 k = 0.3750-0.6970-0.4195 ( 2456 PWs) bands (ev): -50.5386 -50.5386 -26.4143 -26.4142 -23.9949 -23.9947 -23.8806 -23.8805 -2.8246 -2.8231 -2.2609 -2.2583 4.6538 4.6618 5.7152 5.7444 6.0947 6.1420 7.3569 7.3572 8.7422 8.7768 9.0979 9.1429 9.2687 9.2972 12.1657 12.1836 12.2533 12.2537 14.0240 14.0313 14.1949 14.1969 k = 0.3839-0.7136-0.4294 ( 2458 PWs) bands (ev): -50.5382 -50.5382 -26.4159 -26.4158 -23.9982 -23.9979 -23.8810 -23.8810 -2.7802 -2.7786 -2.2441 -2.2415 4.6087 4.6161 5.6739 5.6998 6.0818 6.1246 7.3318 7.3321 8.7243 8.7544 9.1183 9.1560 9.3008 9.3254 12.1860 12.2003 12.2475 12.2514 14.0514 14.0597 14.2052 14.2075 k = 0.3929-0.7302-0.4394 ( 2460 PWs) bands (ev): -50.5377 -50.5377 -26.4175 -26.4173 -24.0012 -24.0010 -23.8815 -23.8814 -2.7378 -2.7361 -2.2283 -2.2257 4.5641 4.5709 5.6329 5.6557 6.0720 6.1103 7.3085 7.3088 8.7074 8.7335 9.1404 9.1721 9.3318 9.3535 12.1911 12.1987 12.2584 12.2690 14.0755 14.0847 14.2144 14.2171 k = 0.4018-0.7468-0.4494 ( 2453 PWs) bands (ev): -50.5372 -50.5372 -26.4188 -26.4187 -24.0040 -24.0038 -23.8818 -23.8818 -2.6976 -2.6959 -2.2134 -2.2108 4.5207 4.5270 5.5932 5.6129 6.0642 6.0981 7.2869 7.2872 8.6916 8.7142 9.1639 9.1909 9.3614 9.3807 12.1849 12.1891 12.2819 12.2957 14.0963 14.1063 14.2227 14.2258 k = 0.4107-0.7634-0.4594 ( 2453 PWs) bands (ev): -50.5368 -50.5368 -26.4201 -26.4200 -24.0066 -24.0064 -23.8821 -23.8821 -2.6599 -2.6582 -2.1996 -2.1970 4.4792 4.4849 5.5554 5.5723 6.0577 6.0875 7.2672 7.2674 8.6772 8.6966 9.1885 9.2115 9.3892 9.4065 12.1757 12.1785 12.3093 12.3241 14.1138 14.1246 14.2302 14.2335 k = 0.4196-0.7800-0.4694 ( 2450 PWs) bands (ev): -50.5364 -50.5364 -26.4213 -26.4212 -24.0090 -24.0088 -23.8824 -23.8823 -2.6249 -2.6232 -2.1870 -2.1844 4.4401 4.4453 5.5200 5.5344 6.0522 6.0782 7.2492 7.2494 8.6640 8.6806 9.2137 9.2333 9.4150 9.4306 12.1664 12.1684 12.3373 12.3523 14.1282 14.1396 14.2368 14.2403 k = 0.4286-0.7966-0.4794 ( 2450 PWs) bands (ev): -50.5361 -50.5361 -26.4224 -26.4223 -24.0112 -24.0111 -23.8826 -23.8826 -2.5929 -2.5911 -2.1754 -2.1730 4.4038 4.4085 5.4874 5.4996 6.0474 6.0699 7.2331 7.2333 8.6522 8.6663 9.2386 9.2555 9.4387 9.4527 12.1578 12.1593 12.3646 12.3793 14.1397 14.1514 14.2426 14.2462 k = 0.4375-0.8132-0.4894 ( 2450 PWs) bands (ev): -50.5358 -50.5358 -26.4233 -26.4232 -24.0132 -24.0130 -23.8828 -23.8828 -2.5639 -2.5623 -2.1652 -2.1628 4.3709 4.3749 5.4581 5.4683 6.0432 6.0624 7.2188 7.2190 8.6419 8.6537 9.2628 9.2772 9.4600 9.4725 12.1502 12.1514 12.3906 12.4045 14.1486 14.1602 14.2478 14.2512 k = 0.4464-0.8298-0.4993 ( 2448 PWs) bands (ev): -50.5356 -50.5356 -26.4241 -26.4241 -24.0149 -24.0148 -23.8829 -23.8829 -2.5383 -2.5368 -2.1562 -2.1540 4.3416 4.3451 5.4323 5.4407 6.0396 6.0557 7.2064 7.2065 8.6329 8.6427 9.2855 9.2977 9.4789 9.4899 12.1436 12.1446 12.4146 12.4274 14.1552 14.1663 14.2522 14.2554 k = 0.4554-0.8464-0.5093 ( 2450 PWs) bands (ev): -50.5354 -50.5354 -26.4249 -26.4248 -24.0163 -24.0163 -23.8831 -23.8831 -2.5163 -2.5149 -2.1485 -2.1466 4.3163 4.3193 5.4102 5.4169 6.0366 6.0497 7.1959 7.1960 8.6254 8.6333 9.3061 9.3162 9.4953 9.5047 12.1381 12.1389 12.4362 12.4475 14.1599 14.1701 14.2559 14.2588 k = 0.4643-0.8630-0.5193 ( 2450 PWs) bands (ev): -50.5352 -50.5352 -26.4254 -26.4254 -24.0175 -24.0175 -23.8832 -23.8832 -2.4979 -2.4967 -2.1421 -2.1405 4.2953 4.2977 5.3919 5.3972 6.0342 6.0446 7.1873 7.1874 8.6194 8.6255 9.3241 9.3321 9.5091 9.5169 12.1337 12.1343 12.4549 12.4645 14.1632 14.1720 14.2590 14.2614 k = 0.4732-0.8796-0.5293 ( 2451 PWs) bands (ev): -50.5351 -50.5351 -26.4259 -26.4259 -24.0185 -24.0184 -23.8833 -23.8833 -2.4834 -2.4825 -2.1370 -2.1358 4.2788 4.2806 5.3778 5.3816 6.0326 6.0403 7.1806 7.1806 8.6149 8.6194 9.3388 9.3449 9.5202 9.5262 12.1303 12.1307 12.4703 12.4778 14.1655 14.1725 14.2614 14.2633 k = 0.4821-0.8962-0.5393 ( 2451 PWs) bands (ev): -50.5350 -50.5350 -26.4262 -26.4262 -24.0191 -24.0191 -23.8833 -23.8833 -2.4729 -2.4723 -2.1334 -2.1325 4.2670 4.2682 5.3677 5.3703 6.0317 6.0368 7.1758 7.1758 8.6118 8.6148 9.3499 9.3540 9.5285 9.5325 12.1280 12.1282 12.4821 12.4872 14.1672 14.1721 14.2633 14.2646 k = 0.4911-0.9127-0.5493 ( 2446 PWs) bands (ev): -50.5349 -50.5349 -26.4264 -26.4264 -24.0195 -24.0195 -23.8834 -23.8834 -2.4665 -2.4662 -2.1311 -2.1306 4.2600 4.2606 5.3619 5.3632 6.0317 6.0342 7.1729 7.1729 8.6103 8.6117 9.3572 9.3592 9.5340 9.5360 12.1266 12.1267 12.4898 12.4924 14.1686 14.1711 14.2645 14.2652 k = 0.5000-0.9293-0.5593 ( 2444 PWs) bands (ev): -50.5348 -50.5348 -26.4265 -26.4265 -24.0196 -24.0196 -23.8834 -23.8834 -2.4643 -2.4643 -2.1302 -2.1302 4.2578 4.2578 5.3604 5.3604 6.0325 6.0325 7.1720 7.1720 8.6102 8.6102 9.3603 9.3603 9.5365 9.5365 12.1261 12.1261 12.4932 12.4932 14.1699 14.1699 14.2651 14.2651 k = 0.5000-0.9293-0.5593 ( 2444 PWs) bands (ev): -50.5348 -50.5348 -26.4265 -26.4265 -24.0196 -24.0196 -23.8834 -23.8834 -2.4643 -2.4643 -2.1302 -2.1302 4.2578 4.2578 5.3604 5.3604 6.0325 6.0325 7.1720 7.1720 8.6102 8.6102 9.3603 9.3603 9.5365 9.5365 12.1261 12.1261 12.4932 12.4932 14.1699 14.1699 14.2651 14.2651 k = 0.5000-0.9184-0.5774 ( 2444 PWs) bands (ev): -50.5348 -50.5348 -26.4270 -26.4260 -24.0201 -24.0190 -23.8836 -23.8833 -2.4649 -2.4625 -2.1300 -2.1298 4.2585 4.2602 5.3560 5.3633 6.0316 6.0342 7.1666 7.1764 8.6071 8.6122 9.3212 9.3769 9.5112 9.5732 12.1248 12.1282 12.4877 12.4994 14.1605 14.1751 14.2570 14.2673 k = 0.5000-0.9075-0.5956 ( 2444 PWs) bands (ev): -50.5348 -50.5348 -26.4275 -26.4255 -24.0205 -24.0183 -23.8841 -23.8835 -2.4645 -2.4597 -2.1292 -2.1288 4.2622 4.2658 5.3502 5.3647 6.0313 6.0365 7.1604 7.1799 8.6028 8.6129 9.2705 9.3559 9.5128 9.6106 12.1239 12.1308 12.4829 12.5062 14.1458 14.1720 14.2471 14.2648 k = 0.5000-0.8966-0.6137 ( 2448 PWs) bands (ev): -50.5348 -50.5348 -26.4281 -26.4251 -24.0209 -24.0176 -23.8848 -23.8839 -2.4630 -2.4558 -2.1278 -2.1272 4.2690 4.2743 5.3429 5.3647 6.0316 6.0394 7.1534 7.1827 8.5969 8.6124 9.2117 9.3062 9.5328 9.6455 12.1234 12.1340 12.4788 12.5139 14.1224 14.1519 14.2454 14.2621 k = 0.5000-0.8857-0.6319 ( 2452 PWs) bands (ev): -50.5348 -50.5348 -26.4287 -26.4248 -24.0212 -24.0168 -23.8856 -23.8845 -2.4605 -2.4508 -2.1258 -2.1251 4.2788 4.2860 5.3341 5.3631 6.0327 6.0430 7.1457 7.1847 8.5894 8.6106 9.1460 9.2423 9.5570 9.6772 12.1230 12.1375 12.4757 12.5227 14.0875 14.1134 14.2542 14.2633 k = 0.5000-0.8747-0.6500 ( 2446 PWs) bands (ev): -50.5347 -50.5347 -26.4293 -26.4244 -24.0214 -24.0158 -23.8867 -23.8853 -2.4569 -2.4448 -2.1233 -2.1224 4.2917 4.3007 5.3239 5.3600 6.0344 6.0471 7.1376 7.1862 8.5797 8.6072 9.0741 9.1700 9.5808 9.7056 12.1222 12.1409 12.4740 12.5329 14.0413 14.0624 14.2678 14.2719 k = 0.5000-0.8638-0.6681 ( 2444 PWs) bands (ev): -50.5346 -50.5346 -26.4299 -26.4240 -24.0214 -24.0147 -23.8879 -23.8863 -2.4523 -2.4379 -2.1202 -2.1192 4.3075 4.3184 5.3121 5.3552 6.0368 6.0517 7.1293 7.1873 8.5671 8.6021 8.9966 9.0917 9.6028 9.7311 12.1207 12.1437 12.4742 12.5448 13.9858 14.0030 14.2802 14.2905 k = 0.5000-0.8529-0.6863 ( 2446 PWs) bands (ev): -50.5345 -50.5345 -26.4306 -26.4238 -24.0215 -24.0136 -23.8893 -23.8875 -2.4467 -2.4299 -2.1167 -2.1155 4.3264 4.3391 5.2989 5.3489 6.0398 6.0569 7.1210 7.1883 8.5507 8.5947 8.9143 9.0091 9.6230 9.7540 12.1181 12.1452 12.4769 12.5588 13.9234 13.9381 14.2959 14.3129 k = 0.5000-0.8420-0.7044 ( 2452 PWs) bands (ev): -50.5345 -50.5345 -26.4313 -26.4235 -24.0215 -24.0125 -23.8909 -23.8890 -2.4401 -2.4211 -2.1126 -2.1113 4.3481 4.3629 5.2842 5.3409 6.0433 6.0625 7.1130 7.1895 8.5287 8.5844 8.8283 8.9244 9.6414 9.7748 12.1139 12.1448 12.4828 12.5753 13.8563 13.8697 14.3147 14.3376 k = 0.5000-0.8311-0.7226 ( 2450 PWs) bands (ev): -50.5344 -50.5344 -26.4320 -26.4233 -24.0214 -24.0112 -23.8925 -23.8906 -2.4326 -2.4113 -2.1081 -2.1066 4.3728 4.3895 5.2680 5.3313 6.0475 6.0685 7.1056 7.1910 8.4984 8.5691 8.7411 8.8408 9.6584 9.7940 12.1076 12.1417 12.4924 12.5944 13.7865 13.7996 14.3363 14.3641 k = 0.5000-0.8201-0.7407 ( 2448 PWs) bands (ev): -50.5342 -50.5342 -26.4327 -26.4231 -24.0212 -24.0098 -23.8944 -23.8924 -2.4243 -2.4007 -2.1032 -2.1015 4.4003 4.4191 5.2505 5.3200 6.0521 6.0749 7.0989 7.1930 8.4555 8.5424 8.6594 8.7630 9.6745 9.8120 12.0991 12.1353 12.5061 12.6164 13.7158 13.7290 14.3598 14.3918 k = 0.5000-0.8092-0.7589 ( 2446 PWs) bands (ev): -50.5341 -50.5341 -26.4334 -26.4230 -24.0210 -24.0083 -23.8963 -23.8944 -2.4151 -2.3894 -2.0979 -2.0961 4.4305 4.4515 5.2316 5.3070 6.0572 6.0815 7.0933 7.1959 8.3959 8.4869 8.6003 8.6963 9.6899 9.8292 12.0880 12.1254 12.5242 12.6412 13.6454 13.6592 14.3849 14.4204 k = 0.5000-0.7983-0.7770 ( 2454 PWs) bands (ev): -50.5341 -50.5341 -26.4342 -26.4229 -24.0208 -24.0068 -23.8983 -23.8966 -2.4052 -2.3773 -2.0924 -2.0904 4.4635 4.4867 5.2115 5.2925 6.0627 6.0883 7.0889 7.1996 8.3187 8.3995 8.5670 8.6428 9.7050 9.8462 12.0743 12.1120 12.5464 12.6690 13.5767 13.5911 14.4111 14.4495 k = 0.5000-0.7874-0.7952 ( 2454 PWs) bands (ev): -50.5339 -50.5339 -26.4349 -26.4228 -24.0205 -24.0052 -23.9004 -23.8988 -2.3946 -2.3647 -2.0865 -2.0844 4.4992 4.5247 5.1902 5.2765 6.0685 6.0952 7.0858 7.2044 8.2275 8.2972 8.5427 8.6000 9.7201 9.8631 12.0579 12.0950 12.5723 12.6993 13.5105 13.5258 14.4380 14.4789 k = 0.5000-0.7765-0.8133 ( 2450 PWs) bands (ev): -50.5338 -50.5337 -26.4356 -26.4228 -24.0202 -24.0035 -23.9025 -23.9012 -2.3834 -2.3514 -2.0804 -2.0782 4.5374 4.5653 5.1679 5.2591 6.0746 6.1022 7.0841 7.2103 8.1269 8.1881 8.5197 8.5636 9.7355 9.8803 12.0389 12.0749 12.6014 12.7318 13.4479 13.4640 14.4651 14.5083 k = 0.5000-0.7656-0.8314 ( 2450 PWs) bands (ev): -50.5336 -50.5336 -26.4363 -26.4227 -24.0199 -24.0018 -23.9047 -23.9038 -2.3716 -2.3377 -2.0742 -2.0719 4.5781 4.6086 5.1448 5.2404 6.0807 6.1090 7.0839 7.2172 8.0210 8.0752 8.4962 8.5304 9.7515 9.8982 12.0174 12.0518 12.6330 12.7660 13.3897 13.4066 14.4921 14.5373 k = 0.5000-0.7546-0.8496 ( 2454 PWs) bands (ev): -50.5335 -50.5335 -26.4371 -26.4228 -24.0196 -24.0000 -23.9069 -23.9064 -2.3594 -2.3236 -2.0679 -2.0655 4.6212 4.6545 5.1211 5.2206 6.0869 6.1156 7.0850 7.2253 7.9121 7.9603 8.4714 8.4984 9.7683 9.9169 11.9937 12.0262 12.6663 12.8009 13.3368 13.3542 14.5187 14.5657 k = 0.5000-0.7437-0.8677 ( 2448 PWs) bands (ev): -50.5333 -50.5333 -26.4377 -26.4228 -24.0192 -23.9982 -23.9091 -23.9091 -2.3468 -2.3092 -2.0616 -2.0590 4.6665 4.7028 5.0969 5.2000 6.0930 6.1219 7.0873 7.2341 7.8020 7.8446 8.4453 8.4664 9.7860 9.9366 11.9679 11.9983 12.7004 12.8355 13.2903 13.3079 14.5445 14.5933 k = 0.5000-0.7328-0.8859 ( 2446 PWs) bands (ev): -50.5331 -50.5331 -26.4384 -26.4228 -24.0189 -23.9963 -23.9119 -23.9112 -2.3340 -2.2947 -2.0553 -2.0527 4.7140 4.7535 5.0725 5.1786 6.0987 6.1276 7.0904 7.2432 7.6925 7.7293 8.4178 8.4340 9.8047 9.9574 11.9403 11.9685 12.7340 12.8679 13.2517 13.2688 14.5694 14.6199 k = 0.5000-0.7219-0.9040 ( 2452 PWs) bands (ev): -50.5330 -50.5330 -26.4391 -26.4229 -24.0186 -23.9944 -23.9148 -23.9133 -2.3210 -2.2800 -2.0491 -2.0464 4.7635 4.8065 5.0482 5.1569 6.1040 6.1325 7.0938 7.2519 7.5848 7.6159 8.3890 8.4010 9.8244 9.9795 11.9113 11.9372 12.7658 12.8956 13.2225 13.2388 14.5930 14.6453 k = 0.5000-0.7110-0.9222 ( 2450 PWs) bands (ev): -50.5329 -50.5329 -26.4398 -26.4230 -24.0182 -23.9925 -23.9177 -23.9154 -2.3079 -2.2653 -2.0432 -2.0404 4.8146 4.8617 5.0244 5.1350 6.1085 6.1364 7.0964 7.2577 7.4802 7.5078 8.3591 8.3679 9.8453 10.0027 11.8810 11.9046 12.7942 12.9155 13.2031 13.2215 14.6152 14.6693 k = 0.5000-0.7000-0.9403 ( 2448 PWs) bands (ev): -50.5327 -50.5327 -26.4404 -26.4231 -24.0179 -23.9905 -23.9206 -23.9173 -2.2948 -2.2508 -2.0375 -2.0346 4.8669 4.9187 5.0018 5.1133 6.1119 6.1390 7.0957 7.2545 7.3772 7.4165 8.3277 8.3354 9.8671 10.0272 11.8499 11.8711 12.8173 12.9254 13.1930 13.2210 14.6358 14.6918 k = 0.5000-0.6891-0.9585 ( 2446 PWs) bands (ev): -50.5325 -50.5325 -26.4409 -26.4232 -24.0177 -23.9885 -23.9234 -23.9191 -2.2820 -2.2366 -2.0321 -2.0292 4.9182 4.9731 4.9868 5.0921 6.1139 6.1397 7.0855 7.2294 7.2741 7.3639 8.2951 8.3042 9.8897 10.0526 11.8183 11.8373 12.8339 12.9256 13.1928 13.2363 14.6547 14.7126 k = 0.5000-0.6782-0.9766 ( 2448 PWs) bands (ev): -50.5324 -50.5324 -26.4415 -26.4233 -24.0175 -23.9866 -23.9263 -23.9208 -2.2694 -2.2227 -2.0272 -2.0243 4.9438 4.9886 5.0400 5.0721 6.1139 6.1383 7.0518 7.1704 7.1977 7.3502 8.2621 8.2745 9.9130 10.0788 11.7865 11.8036 12.8438 12.9194 13.2030 13.2631 14.6717 14.7316 k = 0.5000-0.6673-0.9948 ( 2448 PWs) bands (ev): -50.5323 -50.5323 -26.4420 -26.4235 -24.0173 -23.9847 -23.9290 -23.9224 -2.2572 -2.2093 -2.0228 -2.0199 4.9292 5.0349 5.0566 5.1028 6.1114 6.1341 6.9900 7.0759 7.1791 7.3521 8.2300 8.2462 9.9366 10.1056 11.7550 11.7707 12.8480 12.9101 13.2222 13.2971 14.6868 14.7487 k = 0.5000-0.6564-1.0129 ( 2448 PWs) bands (ev): -50.5322 -50.5322 -26.4425 -26.4236 -24.0172 -23.9828 -23.9317 -23.9238 -2.2455 -2.1966 -2.0190 -2.0160 4.9111 5.0310 5.0980 5.1665 6.1057 6.1266 6.9158 6.9874 7.1739 7.3576 8.1999 8.2197 9.9601 10.1323 11.7242 11.7392 12.8484 12.9003 13.2481 13.3350 14.6998 14.7637 k = 0.5000-0.6454-1.0310 ( 2450 PWs) bands (ev): -50.5321 -50.5321 -26.4430 -26.4237 -24.0171 -23.9811 -23.9341 -23.9250 -2.2345 -2.1847 -2.0159 -2.0129 4.8940 5.0148 5.1539 5.2313 6.0957 6.1154 6.8418 6.9073 7.1728 7.3628 8.1727 8.1956 9.9831 10.1585 11.6946 11.7099 12.8469 12.8916 13.2781 13.3742 14.7109 14.7767 k = 0.5000-0.6345-1.0492 ( 2452 PWs) bands (ev): -50.5320 -50.5320 -26.4433 -26.4239 -24.0170 -23.9795 -23.9364 -23.9261 -2.2243 -2.1737 -2.0136 -2.0105 4.8787 4.9998 5.2095 5.2965 6.0807 6.1006 6.7735 6.8370 7.1718 7.3657 8.1494 8.1746 10.0049 10.1836 11.6670 11.6835 12.8449 12.8846 13.3101 13.4133 14.7199 14.7875 k = 0.5000-0.6236-1.0673 ( 2456 PWs) bands (ev): -50.5320 -50.5320 -26.4437 -26.4240 -24.0170 -23.9780 -23.9385 -23.9270 -2.2151 -2.1638 -2.0120 -2.0089 4.8654 4.9867 5.2632 5.3615 6.0597 6.0830 6.7138 6.7774 7.1695 7.3650 8.1311 8.1573 10.0249 10.2067 11.6425 11.6606 12.8433 12.8798 13.3422 13.4508 14.7269 14.7960 k = 0.5000-0.6127-1.0855 ( 2458 PWs) bands (ev): -50.5320 -50.5320 -26.4440 -26.4241 -24.0170 -23.9768 -23.9402 -23.9276 -2.2069 -2.1551 -2.0114 -2.0083 4.8544 4.9758 5.3132 5.4247 6.0335 6.0644 6.6645 6.7289 7.1647 7.3598 8.1186 8.1441 10.0425 10.2270 11.6219 11.6419 12.8429 12.8771 13.3731 13.4858 14.7319 14.8023 k = 0.5000-0.6018-1.1036 ( 2456 PWs) bands (ev): -50.5319 -50.5319 -26.4441 -26.4242 -24.0171 -23.9758 -23.9415 -23.9281 -2.2000 -2.1477 -2.0117 -2.0086 4.8460 4.9674 5.3572 5.4840 6.0045 6.0470 6.6259 6.6910 7.1569 7.3494 8.1124 8.1356 10.0568 10.2436 11.6064 11.6280 12.8438 12.8765 13.4015 13.5172 14.7349 14.8063 k = 0.5000-0.5908-1.1218 ( 2456 PWs) bands (ev): -50.5319 -50.5319 -26.4443 -26.4242 -24.0171 -23.9752 -23.9423 -23.9284 -2.1944 -2.1419 -2.0131 -2.0100 4.8403 4.9616 5.3924 5.5353 5.9782 6.0346 6.5976 6.6629 7.1458 7.3339 8.1129 8.1320 10.0671 10.2555 11.5970 11.6197 12.8462 12.8777 13.4264 13.5442 14.7360 14.8080 k = 0.5000-0.5799-1.1399 ( 2456 PWs) bands (ev): -50.5319 -50.5318 -26.4443 -26.4242 -24.0171 -23.9749 -23.9426 -23.9285 -2.1903 -2.1376 -2.0155 -2.0124 4.8376 4.9586 5.4158 5.5720 5.9627 6.0314 6.5782 6.6432 7.1315 7.3133 8.1198 8.1335 10.0729 10.2620 11.5946 11.6176 12.8500 12.8805 13.4469 13.5660 14.7351 14.8073 k = 0.5000-0.5690-1.1581 ( 2452 PWs) bands (ev): -50.5318 -50.5318 -26.4443 -26.4242 -24.0171 -23.9750 -23.9425 -23.9285 -2.1878 -2.1351 -2.0192 -2.0160 4.8379 4.9587 5.4252 5.5863 5.9675 6.0409 6.5663 6.6305 7.1139 7.2881 8.1325 8.1403 10.0736 10.2623 11.5997 11.6221 12.8549 12.8846 13.4621 13.5818 14.7323 14.8043 k = 0.5000-0.5581-1.1762 ( 2448 PWs) bands (ev): -50.5318 -50.5318 -26.4442 -26.4241 -24.0170 -23.9754 -23.9419 -23.9282 -2.1871 -2.1345 -2.0240 -2.0208 4.8415 4.9619 5.4204 5.5760 5.9964 6.0645 6.5606 6.6235 7.0935 7.2593 8.1485 8.1540 10.0689 10.2563 11.6127 11.6335 12.8608 12.8896 13.4713 13.5909 14.7276 14.7989 k = 0.5000-0.5472-1.1943 ( 2452 PWs) bands (ev): -50.5319 -50.5319 -26.4440 -26.4241 -24.0169 -23.9761 -23.9409 -23.9279 -2.1883 -2.1359 -2.0300 -2.0268 4.8484 4.9684 5.4038 5.5472 6.0445 6.1010 6.5600 6.6212 7.0708 7.2274 8.1649 8.1762 10.0586 10.2437 11.6336 11.6519 12.8673 12.8950 13.4738 13.5930 14.7208 14.7912 k = 0.8189-0.4668-1.0427 ( 2452 PWs) bands (ev): -50.5319 -50.5319 -26.4440 -26.4241 -24.0169 -23.9761 -23.9409 -23.9279 -2.1883 -2.1359 -2.0300 -2.0268 4.8484 4.9684 5.4038 5.5472 6.0445 6.1010 6.5600 6.6212 7.0708 7.2274 8.1649 8.1762 10.0586 10.2437 11.6336 11.6519 12.8673 12.8950 13.4738 13.5930 14.7208 14.7912 k = 0.8137-0.4571-1.0244 ( 2446 PWs) bands (ev): -50.5319 -50.5319 -26.4437 -26.4239 -24.0167 -23.9769 -23.9395 -23.9273 -2.1915 -2.1395 -2.0375 -2.0342 4.8589 4.9785 5.3784 5.5076 6.1050 6.1482 6.5639 6.6230 7.0459 7.1931 8.1846 8.2037 10.0427 10.2248 11.6623 11.6773 12.8741 12.9007 13.4693 13.5875 14.7118 14.7810 k = 0.8085-0.4474-1.0061 ( 2450 PWs) bands (ev): -50.5320 -50.5320 -26.4433 -26.4237 -24.0165 -23.9778 -23.9380 -23.9267 -2.1968 -2.1453 -2.0462 -2.0429 4.8730 4.9920 5.3479 5.4635 6.1716 6.2026 6.5721 6.6284 7.0197 7.1574 8.2077 8.2348 10.0216 10.2001 11.6980 11.7092 12.8808 12.9060 13.4572 13.5741 14.7007 14.7686 k = 0.8032-0.4377-0.9877 ( 2452 PWs) bands (ev): -50.5322 -50.5322 -26.4429 -26.4235 -24.0161 -23.9788 -23.9362 -23.9260 -2.2043 -2.1535 -2.0563 -2.0530 4.8908 5.0090 5.3151 5.4185 6.2400 6.2614 6.5851 6.6375 6.9928 7.1210 8.2337 8.2688 9.9958 10.1704 11.7399 11.7471 12.8869 12.9106 13.4375 13.5527 14.6875 14.7539 k = 0.7980-0.4279-0.9694 ( 2452 PWs) bands (ev): -50.5323 -50.5323 -26.4423 -26.4232 -24.0156 -23.9797 -23.9343 -23.9251 -2.2142 -2.1641 -2.0678 -2.0644 4.9123 5.0296 5.2824 5.3749 6.3057 6.3225 6.6042 6.6507 6.9659 7.0846 8.2622 8.3050 9.9660 10.1365 11.7868 11.7903 12.8919 12.9140 13.4102 13.5236 14.6726 14.7374 k = 0.7928-0.4182-0.9511 ( 2454 PWs) bands (ev): -50.5325 -50.5325 -26.4417 -26.4228 -24.0149 -23.9805 -23.9322 -23.9241 -2.2264 -2.1772 -2.0806 -2.0772 4.9375 5.0536 5.2514 5.3340 6.3639 6.3840 6.6316 6.6693 6.9397 7.0487 8.2928 8.3430 9.9327 10.0992 11.8364 11.8394 12.8953 12.9158 13.3757 13.4870 14.6563 14.7194 k = 0.7876-0.4085-0.9327 ( 2454 PWs) bands (ev): -50.5327 -50.5327 -26.4409 -26.4224 -24.0141 -23.9812 -23.9301 -23.9231 -2.2411 -2.1928 -2.0947 -2.0913 4.9663 5.0805 5.2237 5.2967 6.4118 6.4409 6.6699 6.6957 6.9151 7.0138 8.3251 8.3824 9.8968 10.0594 11.8875 11.8936 12.8967 12.9156 13.3344 13.4433 14.6390 14.7002 k = 0.7823-0.3988-0.9144 ( 2456 PWs) bands (ev): -50.5330 -50.5330 -26.4401 -26.4219 -24.0132 -23.9818 -23.9279 -23.9220 -2.2582 -2.2109 -2.1102 -2.1067 4.9987 5.1089 5.2013 5.2639 6.4484 6.4882 6.7183 6.7338 6.8934 6.9803 8.3587 8.4228 9.8588 10.0179 11.9411 11.9505 12.8956 12.9132 13.2869 13.3931 14.6215 14.6805 k = 0.7771-0.3891-0.8960 ( 2454 PWs) bands (ev): -50.5332 -50.5332 -26.4391 -26.4213 -24.0120 -23.9823 -23.9257 -23.9208 -2.2777 -2.2317 -2.1271 -2.1235 5.0345 5.1328 5.1901 5.2367 6.4744 6.5238 6.7651 6.7911 6.8790 6.9488 8.3932 8.4639 9.8196 9.9754 11.9964 12.0088 12.8915 12.9080 13.2343 13.3372 14.6041 14.6607 k = 0.7719-0.3794-0.8777 ( 2456 PWs) bands (ev): -50.5335 -50.5335 -26.4381 -26.4207 -24.0107 -23.9825 -23.9234 -23.9195 -2.2998 -2.2550 -2.1451 -2.1416 5.0727 5.1387 5.1966 5.2236 6.4925 6.5485 6.7965 6.8612 6.8864 6.9208 8.4283 8.5054 9.7797 9.9326 12.0527 12.0675 12.8841 12.8998 13.1775 13.2763 14.5876 14.6414 k = 0.7666-0.3696-0.8594 ( 2454 PWs) bands (ev): -50.5338 -50.5338 -26.4369 -26.4200 -24.0092 -23.9826 -23.9211 -23.9182 -2.3242 -2.2808 -2.1645 -2.1609 5.1080 5.1377 5.1894 5.2506 6.5047 6.5650 6.7984 6.8880 6.9336 6.9429 8.4638 8.5470 9.7398 9.8900 12.1093 12.1260 12.8730 12.8879 13.1181 13.2116 14.5724 14.6231 k = 0.7614-0.3599-0.8410 ( 2458 PWs) bands (ev): -50.5342 -50.5342 -26.4356 -26.4192 -24.0076 -23.9825 -23.9189 -23.9168 -2.3511 -2.3092 -2.1850 -2.1814 5.1173 5.1544 5.1911 5.2937 6.5129 6.5755 6.7881 6.8645 7.0002 7.0211 8.4993 8.5885 9.7003 9.8481 12.1653 12.1832 12.8579 12.8718 13.0578 13.1441 14.5587 14.6061 k = 0.7562-0.3502-0.8227 ( 2466 PWs) bands (ev): -50.5346 -50.5346 -26.4343 -26.4183 -24.0058 -23.9822 -23.9166 -23.9155 -2.3804 -2.3399 -2.2066 -2.2031 5.1163 5.1561 5.2289 5.3423 6.5182 6.5816 6.7758 6.8424 7.0726 7.1035 8.5345 8.6297 9.6618 9.8075 12.2202 12.2383 12.8378 12.8507 12.9993 13.0752 14.5468 14.5907 k = 0.7510-0.3405-0.8044 ( 2466 PWs) bands (ev): -50.5350 -50.5350 -26.4328 -26.4174 -24.0037 -23.9817 -23.9143 -23.9140 -2.4119 -2.3730 -2.2293 -2.2258 5.1179 5.1538 5.2804 5.3950 6.5213 6.5843 6.7641 6.8229 7.1481 7.1871 8.5694 8.6704 9.6247 9.7684 12.2730 12.2904 12.8098 12.8258 12.9455 13.0068 14.5367 14.5771 k = 0.7457-0.3308-0.7860 ( 2466 PWs) bands (ev): -50.5354 -50.5354 -26.4313 -26.4163 -24.0015 -23.9810 -23.9126 -23.9120 -2.4456 -2.4084 -2.2531 -2.2496 5.1236 5.1549 5.3368 5.4511 6.5231 6.5843 6.7534 6.8058 7.2249 7.2712 8.6036 8.7104 9.5893 9.7312 12.3227 12.3378 12.7717 12.7989 12.8975 12.9421 14.5283 14.5651 k = 0.7405-0.3210-0.7677 ( 2460 PWs) bands (ev): -50.5358 -50.5358 -26.4296 -26.4152 -23.9990 -23.9801 -23.9110 -23.9097 -2.4814 -2.4458 -2.2777 -2.2744 5.1336 5.1604 5.3967 5.5102 6.5240 6.5823 6.7435 6.7912 7.3022 7.3552 8.6371 8.7495 9.5560 9.6962 12.3680 12.3786 12.7276 12.7690 12.8511 12.8871 14.5214 14.5546 k = 0.7353-0.3113-0.7493 ( 2456 PWs) bands (ev): -50.5362 -50.5362 -26.4278 -26.4140 -23.9964 -23.9790 -23.9095 -23.9074 -2.5192 -2.4854 -2.3033 -2.3000 5.1479 5.1703 5.4597 5.5718 6.5247 6.5787 6.7341 6.7789 7.3794 7.4389 8.6695 8.7876 9.5250 9.6635 12.4046 12.4105 12.6861 12.7357 12.8029 12.8456 14.5156 14.5454 k = 0.7300-0.3016-0.7310 ( 2452 PWs) bands (ev): -50.5367 -50.5367 -26.4260 -26.4127 -23.9936 -23.9777 -23.9079 -23.9051 -2.5589 -2.5267 -2.3296 -2.3265 5.1664 5.1847 5.5253 5.6357 6.5256 6.5740 6.7251 6.7688 7.4561 7.5217 8.7008 8.8245 9.4965 9.6332 12.4179 12.4374 12.6570 12.7016 12.7593 12.8115 14.5105 14.5371 k = 0.7248-0.2919-0.7127 ( 2452 PWs) bands (ev): -50.5372 -50.5372 -26.4241 -26.4113 -23.9907 -23.9762 -23.9063 -23.9029 -2.6004 -2.5699 -2.3567 -2.3537 5.1890 5.2033 5.5931 5.7014 6.5267 6.5687 6.7164 6.7608 7.5319 7.6036 8.7308 8.8602 9.4705 9.6053 12.4065 12.4490 12.6457 12.6763 12.7238 12.7801 14.5058 14.5294 k = 0.7196-0.2822-0.6943 ( 2452 PWs) bands (ev): -50.5377 -50.5377 -26.4221 -26.4099 -23.9877 -23.9746 -23.9046 -23.9006 -2.6434 -2.6146 -2.3844 -2.3815 5.2155 5.2259 5.6628 5.7683 6.5279 6.5630 6.7087 6.7553 7.6065 7.6840 8.7595 8.8946 9.4472 9.5799 12.3768 12.4379 12.6430 12.6689 12.7009 12.7502 14.5010 14.5218 k = 0.7144-0.2725-0.6760 ( 2450 PWs) bands (ev): -50.5383 -50.5383 -26.4200 -26.4084 -23.9845 -23.9727 -23.9029 -23.8983 -2.6879 -2.6608 -2.4127 -2.4099 5.2456 5.2524 5.7340 5.8358 6.5282 6.5573 6.7030 6.7526 7.6796 7.7627 8.7867 8.9275 9.4265 9.5570 12.3386 12.4085 12.6278 12.6749 12.7022 12.7240 14.4957 14.5138 k = 0.7091-0.2627-0.6577 ( 2456 PWs) bands (ev): -50.5389 -50.5389 -26.4179 -26.4068 -23.9812 -23.9708 -23.9011 -23.8960 -2.7336 -2.7082 -2.4415 -2.4388 5.2788 5.2824 5.8061 5.9032 6.5257 6.5519 6.7013 6.7535 7.7508 7.8395 8.8125 8.9589 9.4084 9.5363 12.2990 12.3707 12.6005 12.6743 12.7092 12.7246 14.4894 14.5051 k = 0.7039-0.2530-0.6393 ( 2460 PWs) bands (ev): -50.5396 -50.5396 -26.4157 -26.4052 -23.9778 -23.9687 -23.8993 -23.8936 -2.7805 -2.7567 -2.4707 -2.4681 5.3140 5.3165 5.8786 5.9696 6.5190 6.5461 6.7061 6.7589 7.8198 7.9137 8.8367 8.9888 9.3929 9.5180 12.2618 12.3319 12.5704 12.6510 12.7267 12.7452 14.4816 14.4952 k = 0.6987-0.2433-0.6210 ( 2460 PWs) bands (ev): -50.5402 -50.5402 -26.4134 -26.4035 -23.9743 -23.9665 -23.8974 -23.8913 -2.8284 -2.8062 -2.5002 -2.4978 5.3502 5.3549 5.9507 6.0341 6.5083 6.5382 6.7200 6.7699 7.8863 7.9850 8.8594 9.0172 9.3800 9.5020 12.2293 12.2958 12.5402 12.6234 12.7487 12.7665 14.4721 14.4838 k = 0.6934-0.2336-0.6027 ( 2458 PWs) bands (ev): -50.5408 -50.5408 -26.4111 -26.4017 -23.9708 -23.9642 -23.8954 -23.8889 -2.8772 -2.8565 -2.5300 -2.5277 5.3882 5.3957 6.0216 6.0958 6.4945 6.5268 6.7445 6.7876 7.9497 8.0529 8.8806 9.0440 9.3699 9.4884 12.2026 12.2645 12.5110 12.5958 12.7704 12.7866 14.4604 14.4705 k = 0.6882-0.2239-0.5843 ( 2456 PWs) bands (ev): -50.5415 -50.5414 -26.4087 -26.3999 -23.9672 -23.9617 -23.8934 -23.8864 -2.9266 -2.9074 -2.5599 -2.5578 5.4276 5.4380 6.0907 6.1538 6.4784 6.5123 6.7793 6.8131 8.0095 8.1165 8.9003 9.0691 9.3628 9.4775 12.1826 12.2391 12.4831 12.5692 12.7908 12.8050 14.4462 14.4551 k = 0.6830-0.2142-0.5660 ( 2454 PWs) bands (ev): -50.5421 -50.5421 -26.4063 -26.3981 -23.9636 -23.9592 -23.8912 -23.8839 -2.9765 -2.9587 -2.5899 -2.5879 5.4678 5.4810 6.1570 6.2076 6.4611 6.4960 6.8232 6.8480 8.0652 8.1750 8.9185 9.0925 9.3591 9.4696 12.1697 12.2203 12.4571 12.5441 12.8094 12.8214 14.4293 14.4374 k = 0.6778-0.2044-0.5476 ( 2446 PWs) bands (ev): -50.5427 -50.5427 -26.4038 -26.3961 -23.9600 -23.9566 -23.8888 -23.8814 -3.0268 -3.0104 -2.6199 -2.6181 5.5079 5.5237 6.2198 6.2572 6.4437 6.4792 6.8728 6.8950 8.1160 8.2276 8.9354 9.1140 9.3595 9.4653 12.1641 12.2083 12.4333 12.5209 12.8261 12.8361 14.4094 14.4172 k = 0.6725-0.1947-0.5293 ( 2440 PWs) bands (ev): -50.5433 -50.5433 -26.4013 -26.3942 -23.9565 -23.9540 -23.8864 -23.8787 -3.0772 -3.0622 -2.6499 -2.6482 5.5469 5.5649 6.2787 6.3027 6.4274 6.4638 6.9258 6.9553 8.1612 8.2733 8.9510 9.1333 9.3647 9.4653 12.1658 12.2032 12.4120 12.4998 12.8408 12.8493 14.3865 14.3944 k = 0.6673-0.1850-0.5110 ( 2438 PWs) bands (ev): -50.5440 -50.5440 -26.3988 -26.3922 -23.9531 -23.9514 -23.8838 -23.8760 -3.1278 -3.1139 -2.6798 -2.6782 5.5833 5.6032 6.3331 6.3446 6.4141 6.4517 6.9843 7.0256 8.2002 8.3110 8.9652 9.1502 9.3757 9.4706 12.1745 12.2049 12.3937 12.4813 12.8533 12.8615 14.3604 14.3688 k = 0.6621-0.1753-0.4926 ( 2446 PWs) bands (ev): -50.5448 -50.5448 -26.3963 -26.3902 -23.9498 -23.9488 -23.8811 -23.8733 -3.1782 -3.1656 -2.7094 -2.7079 5.6156 5.6369 6.3777 6.3867 6.4066 6.4464 7.0493 7.1028 8.2322 8.3402 8.9780 9.1641 9.3934 9.4818 12.1897 12.2130 12.3788 12.4656 12.8636 12.8732 14.3313 14.3405 k = 0.6568-0.1656-0.4743 ( 2442 PWs) bands (ev): -50.5454 -50.5454 -26.3938 -26.3882 -23.9467 -23.9461 -23.8781 -23.8704 -3.2284 -3.2169 -2.7388 -2.7374 5.6422 5.6642 6.3993 6.4098 6.4358 6.4543 7.1203 7.1851 8.2568 8.3603 8.9892 9.1750 9.4185 9.4998 12.2104 12.2273 12.3679 12.4533 12.8723 12.8843 14.2992 14.3094 k = 0.6516-0.1558-0.4560 ( 2440 PWs) bands (ev): -50.5461 -50.5461 -26.3913 -26.3861 -23.9439 -23.9434 -23.8750 -23.8674 -3.2782 -3.2678 -2.7678 -2.7666 5.6614 5.6833 6.4066 6.4267 6.4777 6.4828 7.1965 7.2712 8.2737 8.3713 8.9986 9.1828 9.4513 9.5248 12.2344 12.2478 12.3620 12.4449 12.8796 12.8951 14.2643 14.2754 k = 0.6464-0.1461-0.4376 ( 2442 PWs) bands (ev): -50.5469 -50.5469 -26.3888 -26.3841 -23.9414 -23.9406 -23.8718 -23.8644 -3.3276 -3.3181 -2.7964 -2.7953 5.6722 5.6930 6.4220 6.4447 6.5121 6.5261 7.2768 7.3600 8.2831 8.3739 9.0061 9.1877 9.4915 9.5570 12.2578 12.2751 12.3629 12.4413 12.8861 12.9056 14.2267 14.2389 k = 0.6412-0.1364-0.4193 ( 2442 PWs) bands (ev): -50.5476 -50.5476 -26.3864 -26.3821 -23.9390 -23.9380 -23.8683 -23.8612 -3.3763 -3.3678 -2.8246 -2.8236 5.6740 5.6931 6.4468 6.4699 6.5483 6.5695 7.3602 7.4505 8.2852 8.3687 9.0116 9.1901 9.5384 9.5958 12.2789 12.3056 12.3736 12.4440 12.8922 12.9161 14.1866 14.1998 k = 0.6359-0.1267-0.4009 ( 2442 PWs) bands (ev): -50.5483 -50.5483 -26.3839 -26.3800 -23.9368 -23.9355 -23.8647 -23.8579 -3.4242 -3.4166 -2.8522 -2.8513 5.6671 5.6842 6.4804 6.5035 6.5860 6.6129 7.4458 7.5421 8.2806 8.3568 9.0150 9.1901 9.5912 9.6407 12.2964 12.3342 12.3974 12.4549 12.8980 12.9270 14.1442 14.1585 k = 0.6307-0.1170-0.3826 ( 2440 PWs) bands (ev): -50.5490 -50.5490 -26.3815 -26.3780 -23.9346 -23.9332 -23.8609 -23.8545 -3.4713 -3.4645 -2.8793 -2.8784 5.6525 5.6673 6.5214 6.5448 6.6250 6.6569 7.5326 7.6338 8.2702 8.3392 9.0165 9.1882 9.6486 9.6908 12.3113 12.3581 12.4330 12.4765 12.9041 12.9384 14.0998 14.1151 k = 0.6255-0.1073-0.3643 ( 2438 PWs) bands (ev): -50.5497 -50.5497 -26.3791 -26.3760 -23.9326 -23.9311 -23.8570 -23.8511 -3.5174 -3.5114 -2.9057 -2.9049 5.6315 5.6442 6.5678 6.5923 6.6658 6.7021 7.6199 7.7252 8.2548 8.3172 9.0162 9.1844 9.7099 9.7452 12.3257 12.3781 12.4749 12.5099 12.9105 12.9508 14.0537 14.0698 k = 0.6203-0.0975-0.3459 ( 2432 PWs) bands (ev): -50.5503 -50.5503 -26.3768 -26.3740 -23.9306 -23.9291 -23.8529 -23.8475 -3.5625 -3.5571 -2.9314 -2.9308 5.6055 5.6161 6.6177 6.6438 6.7091 6.7493 7.7069 7.8154 8.2354 8.2916 9.0143 9.1790 9.7738 9.8031 12.3418 12.3964 12.5192 12.5538 12.9176 12.9645 14.0062 14.0231 k = 0.6150-0.0878-0.3276 ( 2436 PWs) bands (ev): -50.5510 -50.5510 -26.3745 -26.3720 -23.9289 -23.9274 -23.8489 -23.8439 -3.6063 -3.6016 -2.9564 -2.9558 5.5756 5.5845 6.6693 6.6965 6.7564 6.7992 7.7930 7.9038 8.2129 8.2634 9.0110 9.1720 9.8396 9.8635 12.3607 12.4153 12.5647 12.6047 12.9257 12.9798 13.9575 13.9752 k = 0.6098-0.0781-0.3093 ( 2438 PWs) bands (ev): -50.5517 -50.5517 -26.3723 -26.3701 -23.9272 -23.9258 -23.8447 -23.8403 -3.6489 -3.6448 -2.9806 -2.9801 5.5431 5.5505 6.7209 6.7474 6.8095 6.8524 7.8776 7.9894 8.1887 8.2336 9.0064 9.1636 9.9064 9.9256 12.3829 12.4361 12.6114 12.6597 12.9350 12.9970 13.9081 13.9263 k = 0.6046-0.0684-0.2909 ( 2434 PWs) bands (ev): -50.5523 -50.5523 -26.3701 -26.3682 -23.9257 -23.9244 -23.8405 -23.8366 -3.6900 -3.6865 -3.0040 -3.0035 5.5087 5.5149 6.7713 6.7951 6.8685 6.9091 7.9598 8.0693 8.1658 8.2030 9.0007 9.1539 9.9734 9.9887 12.4088 12.4598 12.6587 12.7168 12.9458 13.0163 13.8582 13.8770 k = 0.5993-0.0587-0.2726 ( 2436 PWs) bands (ev): -50.5529 -50.5529 -26.3681 -26.3664 -23.9243 -23.9231 -23.8364 -23.8329 -3.7297 -3.7267 -3.0265 -3.0261 5.4734 5.4784 6.8200 6.8404 6.9318 6.9690 8.0383 8.1135 8.1692 8.1784 8.9941 9.1429 10.0400 10.0520 12.4384 12.4866 12.7062 12.7750 12.9581 13.0381 13.8083 13.8274 k = 0.5941-0.0490-0.2543 ( 2434 PWs) bands (ev): -50.5535 -50.5535 -26.3660 -26.3646 -23.9230 -23.9219 -23.8322 -23.8292 -3.7679 -3.7653 -3.0481 -3.0477 5.4376 5.4417 6.8670 6.8841 6.9977 7.0313 8.0943 8.1032 8.1539 8.2422 8.9867 9.1310 10.1057 10.1148 12.4718 12.5167 12.7533 12.8334 12.9722 13.0623 13.7587 13.7781 k = 0.5889-0.0392-0.2359 ( 2430 PWs) bands (ev): -50.5541 -50.5541 -26.3641 -26.3629 -23.9218 -23.9209 -23.8282 -23.8255 -3.8045 -3.8023 -3.0687 -3.0684 5.4018 5.4052 6.9123 6.9268 7.0646 7.0952 8.0680 8.0971 8.2021 8.3140 8.9788 9.1180 10.1697 10.1766 12.5087 12.5502 12.7996 12.8915 12.9883 13.0889 13.7097 13.7292 k = 0.5837-0.0295-0.2176 ( 2430 PWs) bands (ev): -50.5546 -50.5546 -26.3623 -26.3612 -23.9207 -23.9199 -23.8242 -23.8220 -3.8393 -3.8375 -3.0883 -3.0881 5.3666 5.3693 6.9563 6.9688 7.1316 7.1598 8.0400 8.0686 8.2702 8.3827 8.9705 9.1044 10.2318 10.2367 12.5489 12.5869 12.8448 12.9486 13.0064 13.1179 13.6619 13.6813 k = 0.5784-0.0198-0.1992 ( 2428 PWs) bands (ev): -50.5552 -50.5552 -26.3605 -26.3597 -23.9198 -23.9191 -23.8203 -23.8185 -3.8724 -3.8709 -3.1069 -3.1067 5.3322 5.3344 6.9991 7.0099 7.1980 7.2241 8.0123 8.0390 8.3366 8.4472 8.9623 9.0901 10.2913 10.2948 12.5920 12.6265 12.8888 13.0034 13.0275 13.1489 13.6155 13.6347 k = 0.5732-0.0101-0.1809 ( 2430 PWs) bands (ev): -50.5557 -50.5557 -26.3589 -26.3582 -23.9189 -23.9183 -23.8166 -23.8151 -3.9037 -3.9024 -3.1245 -3.1243 5.2989 5.3006 7.0407 7.0501 7.2632 7.2874 7.9853 8.0100 8.3994 8.5068 8.9542 9.0754 10.3479 10.3504 12.6377 12.6686 12.9315 13.0435 13.0632 13.1813 13.5711 13.5900 k = 0.5680-0.0004-0.1626 ( 2426 PWs) bands (ev): -50.5561 -50.5561 -26.3573 -26.3567 -23.9181 -23.9176 -23.8130 -23.8118 -3.9330 -3.9320 -3.1409 -3.1408 5.2670 5.2684 7.0809 7.0893 7.3266 7.3492 7.9594 7.9822 8.4582 8.5610 8.9467 9.0605 10.4014 10.4030 12.6852 12.7126 12.9730 13.0684 13.1137 13.2147 13.5291 13.5474 k = 0.5627 0.0094-0.1442 ( 2426 PWs) bands (ev): -50.5566 -50.5566 -26.3558 -26.3554 -23.9174 -23.9170 -23.8097 -23.8087 -3.9604 -3.9596 -3.1563 -3.1562 5.2368 5.2378 7.1197 7.1271 7.3877 7.4088 7.9350 7.9559 8.5125 8.6095 8.9402 9.0457 10.4514 10.4523 12.7340 12.7579 13.0133 13.0931 13.1630 13.2483 13.4902 13.5078 k = 0.5575 0.0191-0.1259 ( 2424 PWs) bands (ev): -50.5570 -50.5570 -26.3545 -26.3541 -23.9168 -23.9164 -23.8065 -23.8057 -3.9858 -3.9852 -3.1705 -3.1704 5.2083 5.2091 7.1569 7.1633 7.4461 7.4656 7.9121 7.9313 8.5622 8.6517 8.9352 9.0312 10.4976 10.4982 12.7831 12.8037 13.0524 13.1186 13.2092 13.2813 13.4551 13.4719 k = 0.5523 0.0288-0.1076 ( 2418 PWs) bands (ev): -50.5573 -50.5573 -26.3532 -26.3530 -23.9162 -23.9160 -23.8035 -23.8029 -4.0092 -4.0087 -3.1836 -3.1835 5.1819 5.1825 7.1921 7.1977 7.5012 7.5193 7.8911 7.9085 8.6069 8.6873 8.9322 9.0174 10.5400 10.5403 12.8314 12.8488 13.0899 13.1444 13.2510 13.3124 13.4254 13.4410 k = 0.5471 0.0385-0.0892 ( 2416 PWs) bands (ev): -50.5577 -50.5577 -26.3521 -26.3519 -23.9157 -23.9155 -23.8007 -23.8003 -4.0305 -4.0301 -3.1954 -3.1954 5.1575 5.1580 7.2251 7.2300 7.5527 7.5693 7.8719 7.8878 8.6466 8.7160 8.9318 9.0046 10.5784 10.5785 12.8779 12.8922 13.1258 13.1701 13.2857 13.3382 13.4045 13.4183 k = 0.5418 0.0482-0.0709 ( 2410 PWs) bands (ev): -50.5579 -50.5579 -26.3511 -26.3509 -23.9153 -23.9151 -23.7982 -23.7979 -4.0496 -4.0493 -3.2061 -3.2061 5.1354 5.1357 7.2557 7.2599 7.6001 7.6151 7.8549 7.8691 8.6809 8.7377 8.9342 8.9933 10.6127 10.6127 12.9212 12.9325 13.1595 13.1952 13.3077 13.3480 13.4028 13.4103 k = 0.5366 0.0579-0.0526 ( 2414 PWs) bands (ev): -50.5583 -50.5583 -26.3502 -26.3501 -23.9150 -23.9148 -23.7961 -23.7959 -4.0666 -4.0664 -3.2156 -3.2155 5.1156 5.1159 7.2835 7.2871 7.6431 7.6564 7.8400 7.8525 8.7097 8.7530 8.9391 8.9839 10.6428 10.6429 12.9596 12.9681 13.1907 13.2188 13.3138 13.3406 13.4192 13.4232 k = 0.5314 0.0677-0.0342 ( 2414 PWs) bands (ev): -50.5585 -50.5585 -26.3494 -26.3493 -23.9147 -23.9145 -23.7941 -23.7940 -4.0814 -4.0812 -3.2238 -3.2238 5.0983 5.0985 7.3082 7.3112 7.6811 7.6927 7.8274 7.8382 8.7329 8.7630 8.9458 8.9769 10.6689 10.6690 12.9919 12.9979 13.2189 13.2405 13.3123 13.3310 13.4414 13.4461 k = 0.5261 0.0774-0.0159 ( 2410 PWs) bands (ev): -50.5587 -50.5587 -26.3487 -26.3487 -23.9144 -23.9143 -23.7925 -23.7924 -4.0939 -4.0938 -3.2308 -3.2308 5.0836 5.0837 7.3296 7.3321 7.7139 7.7236 7.8172 7.8263 8.7504 8.7692 8.9532 8.9724 10.6908 10.6909 13.0169 13.0209 13.2440 13.2596 13.3115 13.3249 13.4652 13.4688 k = 0.5209 0.0871 0.0025 ( 2404 PWs) bands (ev): -50.5588 -50.5588 -26.3482 -26.3481 -23.9142 -23.9141 -23.7911 -23.7910 -4.1042 -4.1041 -3.2365 -3.2365 5.0714 5.0715 7.3475 7.3495 7.7410 7.7485 7.8097 7.8168 8.7626 8.7727 8.9601 8.9704 10.7088 10.7088 13.0344 13.0371 13.2659 13.2761 13.3136 13.3225 13.4868 13.4889 k = 0.5157 0.0968 0.0208 ( 2402 PWs) bands (ev): -50.5589 -50.5589 -26.3477 -26.3477 -23.9140 -23.9140 -23.7900 -23.7900 -4.1122 -4.1122 -3.2410 -3.2410 5.0619 5.0619 7.3616 7.3631 7.7617 7.7667 7.8053 7.8102 8.7704 8.7748 8.9658 8.9703 10.7226 10.7227 13.0455 13.0473 13.2843 13.2901 13.3174 13.3225 13.5047 13.5057 k = 0.5105 0.1065 0.0391 ( 2398 PWs) bands (ev): -50.5589 -50.5589 -26.3474 -26.3474 -23.9139 -23.9139 -23.7892 -23.7892 -4.1180 -4.1179 -3.2442 -3.2442 5.0550 5.0551 7.3719 7.3729 7.7751 7.7772 7.8048 7.8072 8.7746 8.7761 8.9699 8.9713 10.7325 10.7326 13.0518 13.0531 13.2991 13.3016 13.3209 13.3231 13.5180 13.5183 k = 0.5052 0.1162 0.0575 ( 2398 PWs) bands (ev): -50.5590 -50.5590 -26.3472 -26.3472 -23.9138 -23.9138 -23.7888 -23.7888 -4.1214 -4.1214 -3.2461 -3.2461 5.0509 5.0510 7.3782 7.3787 7.7810 7.7813 7.8068 7.8076 8.7765 8.7770 8.9723 8.9724 10.7384 10.7385 13.0550 13.0557 13.3095 13.3102 13.3223 13.3227 13.5261 13.5261 k = 0.5000 0.1260 0.0758 ( 2398 PWs) bands (ev): -50.5590 -50.5590 -26.3472 -26.3472 -23.9138 -23.9138 -23.7886 -23.7886 -4.1226 -4.1226 -3.2467 -3.2467 5.0496 5.0496 7.3805 7.3805 7.7822 7.7822 7.8082 7.8082 8.7772 8.7772 8.9730 8.9730 10.7404 10.7404 13.0562 13.0562 13.3139 13.3139 13.3219 13.3219 13.5288 13.5288 k = 0.5000 0.1260 0.0758 ( 2398 PWs) bands (ev): -50.5590 -50.5590 -26.3472 -26.3472 -23.9138 -23.9138 -23.7886 -23.7886 -4.1226 -4.1226 -3.2467 -3.2467 5.0496 5.0496 7.3805 7.3805 7.7822 7.7822 7.8082 7.8082 8.7772 8.7772 8.9730 8.9730 10.7404 10.7404 13.0562 13.0562 13.3139 13.3139 13.3219 13.3219 13.5288 13.5288 k = 0.4800 0.1209 0.0728 ( 2398 PWs) bands (ev): -50.5590 -50.5590 -26.3472 -26.3472 -23.9138 -23.9138 -23.7886 -23.7886 -4.1238 -4.1238 -3.2450 -3.2450 5.0437 5.0437 7.3880 7.3880 7.7822 7.7824 7.8089 7.8089 8.7771 8.7771 8.9727 8.9730 10.7392 10.7392 13.0556 13.0556 13.3146 13.3146 13.3187 13.3240 13.5269 13.5321 k = 0.4600 0.1159 0.0697 ( 2398 PWs) bands (ev): -50.5590 -50.5590 -26.3472 -26.3472 -23.9138 -23.9138 -23.7886 -23.7886 -4.1274 -4.1274 -3.2398 -3.2398 5.0264 5.0264 7.4103 7.4103 7.7823 7.7826 7.8110 7.8110 8.7768 8.7768 8.9723 8.9729 10.7355 10.7355 13.0539 13.0539 13.3144 13.3168 13.3168 13.3247 13.5266 13.5367 k = 0.4400 0.1109 0.0667 ( 2401 PWs) bands (ev): -50.5591 -50.5591 -26.3472 -26.3472 -23.9138 -23.9138 -23.7886 -23.7886 -4.1334 -4.1334 -3.2314 -3.2314 4.9984 4.9984 7.4460 7.4460 7.7825 7.7829 7.8150 7.8150 8.7763 8.7763 8.9717 8.9725 10.7294 10.7294 13.0512 13.0512 13.3093 13.3203 13.3203 13.3241 13.5279 13.5424 k = 0.4200 0.1058 0.0637 ( 2401 PWs) bands (ev): -50.5591 -50.5591 -26.3472 -26.3472 -23.9138 -23.9138 -23.7886 -23.7886 -4.1414 -4.1414 -3.2199 -3.2199 4.9611 4.9611 7.4930 7.4930 7.7828 7.7833 7.8218 7.8218 8.7757 8.7757 8.9709 8.9720 10.7207 10.7207 13.0475 13.0475 13.3035 13.3221 13.3250 13.3250 13.5308 13.5490 k = 0.4000 0.1008 0.0606 ( 2401 PWs) bands (ev): -50.5591 -50.5591 -26.3472 -26.3472 -23.9138 -23.9138 -23.7886 -23.7886 -4.1512 -4.1512 -3.2057 -3.2057 4.9160 4.9160 7.5480 7.5480 7.7832 7.7838 7.8331 7.8331 8.7749 8.7749 8.9699 8.9713 10.7094 10.7094 13.0430 13.0430 13.2973 13.3190 13.3307 13.3307 13.5350 13.5563 k = 0.3800 0.0957 0.0576 ( 2407 PWs) bands (ev): -50.5591 -50.5591 -26.3472 -26.3472 -23.9138 -23.9138 -23.7886 -23.7886 -4.1625 -4.1625 -3.1891 -3.1891 4.8645 4.8645 7.6058 7.6058 7.7837 7.7844 7.8524 7.8524 8.7740 8.7740 8.9688 8.9704 10.6954 10.6954 13.0378 13.0378 13.2907 13.3148 13.3374 13.3374 13.5406 13.5641 k = 0.3600 0.0907 0.0546 ( 2413 PWs) bands (ev): -50.5592 -50.5592 -26.3472 -26.3472 -23.9139 -23.9139 -23.7887 -23.7887 -4.1750 -4.1750 -3.1706 -3.1706 4.8084 4.8084 7.6588 7.6588 7.7842 7.7850 7.8859 7.8859 8.7729 8.7729 8.9676 8.9694 10.6787 10.6787 13.0321 13.0321 13.2840 13.3097 13.3449 13.3449 13.5471 13.5723 k = 0.3400 0.0857 0.0515 ( 2410 PWs) bands (ev): -50.5592 -50.5592 -26.3472 -26.3472 -23.9138 -23.9138 -23.7887 -23.7887 -4.1884 -4.1884 -3.1505 -3.1505 4.7489 4.7489 7.6989 7.6989 7.7848 7.7857 7.9400 7.9400 8.7718 8.7718 8.9663 8.9682 10.6591 10.6591 13.0260 13.0260 13.2772 13.3040 13.3529 13.3529 13.5546 13.5807 k = 0.3200 0.0806 0.0485 ( 2407 PWs) bands (ev): -50.5591 -50.5591 -26.3472 -26.3472 -23.9138 -23.9138 -23.7886 -23.7886 -4.2024 -4.2024 -3.1292 -3.1292 4.6875 4.6875 7.7247 7.7247 7.7855 7.7865 8.0147 8.0147 8.7707 8.7707 8.9648 8.9670 10.6364 10.6364 13.0198 13.0198 13.2705 13.2977 13.3613 13.3613 13.5627 13.5892 k = 0.3000 0.0756 0.0455 ( 2410 PWs) bands (ev): -50.5592 -50.5592 -26.3472 -26.3472 -23.9138 -23.9138 -23.7886 -23.7886 -4.2168 -4.2168 -3.1071 -3.1071 4.6253 4.6253 7.7405 7.7405 7.7863 7.7873 8.1045 8.1045 8.7696 8.7696 8.9633 8.9656 10.6105 10.6105 13.0133 13.0133 13.2639 13.2912 13.3700 13.3700 13.5712 13.5977 k = 0.2800 0.0705 0.0425 ( 2404 PWs) bands (ev): -50.5591 -50.5591 -26.3472 -26.3472 -23.9138 -23.9138 -23.7886 -23.7886 -4.2311 -4.2311 -3.0846 -3.0846 4.5633 4.5633 7.7506 7.7506 7.7870 7.7881 8.2038 8.2038 8.7686 8.7686 8.9618 8.9641 10.5813 10.5813 13.0069 13.0069 13.2575 13.2844 13.3789 13.3789 13.5800 13.6061 k = 0.2600 0.0655 0.0394 ( 2404 PWs) bands (ev): -50.5591 -50.5591 -26.3472 -26.3472 -23.9138 -23.9138 -23.7886 -23.7886 -4.2453 -4.2453 -3.0620 -3.0620 4.5024 4.5024 7.7575 7.7575 7.7879 7.7889 8.3091 8.3091 8.7679 8.7679 8.9602 8.9626 10.5486 10.5486 13.0006 13.0006 13.2514 13.2775 13.3877 13.3877 13.5890 13.6143 k = 0.2400 0.0605 0.0364 ( 2403 PWs) bands (ev): -50.5591 -50.5591 -26.3472 -26.3472 -23.9138 -23.9138 -23.7886 -23.7886 -4.2592 -4.2592 -3.0396 -3.0396 4.4434 4.4434 7.7625 7.7625 7.7887 7.7897 8.4178 8.4178 8.7679 8.7679 8.9587 8.9610 10.5123 10.5123 12.9944 12.9944 13.2457 13.2707 13.3965 13.3965 13.5979 13.6221 k = 0.2200 0.0554 0.0334 ( 2406 PWs) bands (ev): -50.5591 -50.5591 -26.3472 -26.3472 -23.9138 -23.9138 -23.7886 -23.7886 -4.2724 -4.2724 -3.0178 -3.0178 4.3869 4.3869 7.7664 7.7664 7.7895 7.7906 8.5274 8.5274 8.7695 8.7695 8.9572 8.9595 10.4721 10.4721 12.9885 12.9885 13.2403 13.2640 13.4050 13.4050 13.6067 13.6296 k = 0.2000 0.0504 0.0303 ( 2406 PWs) bands (ev): -50.5591 -50.5591 -26.3472 -26.3472 -23.9138 -23.9138 -23.7886 -23.7886 -4.2850 -4.2850 -2.9969 -2.9969 4.3336 4.3336 7.7695 7.7695 7.7903 7.7913 8.6330 8.6330 8.7765 8.7765 8.9557 8.9579 10.4279 10.4279 12.9829 12.9829 13.2354 13.2575 13.4132 13.4132 13.6152 13.6366 k = 0.1800 0.0453 0.0273 ( 2406 PWs) bands (ev): -50.5591 -50.5591 -26.3472 -26.3472 -23.9138 -23.9138 -23.7886 -23.7886 -4.2968 -4.2968 -2.9771 -2.9771 4.2839 4.2839 7.7720 7.7720 7.7911 7.7921 8.7127 8.7127 8.8099 8.8099 8.9543 8.9564 10.3795 10.3795 12.9776 12.9776 13.2309 13.2513 13.4209 13.4209 13.6234 13.6431 k = 0.1600 0.0403 0.0243 ( 2412 PWs) bands (ev): -50.5592 -50.5592 -26.3472 -26.3472 -23.9138 -23.9138 -23.7886 -23.7886 -4.3075 -4.3075 -2.9586 -2.9586 4.2383 4.2383 7.7741 7.7741 7.7919 7.7928 8.7382 8.7382 8.8973 8.8973 8.9530 8.9550 10.3269 10.3269 12.9728 12.9728 13.2270 13.2455 13.4281 13.4281 13.6311 13.6489 k = 0.1400 0.0353 0.0212 ( 2412 PWs) bands (ev): -50.5592 -50.5592 -26.3472 -26.3472 -23.9138 -23.9138 -23.7886 -23.7886 -4.3173 -4.3173 -2.9418 -2.9418 4.1972 4.1972 7.7758 7.7758 7.7926 7.7934 8.7439 8.7439 8.9518 8.9537 9.0037 9.0037 10.2699 10.2699 12.9684 12.9684 13.2236 13.2401 13.4347 13.4347 13.6382 13.6541 k = 0.1200 0.0302 0.0182 ( 2412 PWs) bands (ev): -50.5592 -50.5592 -26.3472 -26.3472 -23.9138 -23.9138 -23.7886 -23.7886 -4.3259 -4.3259 -2.9268 -2.9268 4.1609 4.1609 7.7773 7.7773 7.7933 7.7940 8.7454 8.7454 8.9508 8.9524 9.1126 9.1126 10.2085 10.2085 12.9645 12.9645 13.2208 13.2351 13.4406 13.4406 13.6447 13.6585 k = 0.1000 0.0252 0.0152 ( 2412 PWs) bands (ev): -50.5592 -50.5592 -26.3472 -26.3472 -23.9138 -23.9138 -23.7886 -23.7886 -4.3332 -4.3332 -2.9137 -2.9137 4.1297 4.1297 7.7785 7.7785 7.7939 7.7945 8.7458 8.7458 8.9499 8.9513 9.2206 9.2206 10.1427 10.1427 12.9612 12.9612 13.2186 13.2306 13.4457 13.4457 13.6506 13.6621 k = 0.0800 0.0202 0.0121 ( 2418 PWs) bands (ev): -50.5593 -50.5593 -26.3472 -26.3472 -23.9138 -23.9138 -23.7887 -23.7887 -4.3394 -4.3394 -2.9029 -2.9029 4.1038 4.1038 7.7795 7.7795 7.7944 7.7949 8.7457 8.7457 8.9492 8.9504 9.3261 9.3261 10.0728 10.0728 12.9584 12.9584 13.2170 13.2267 13.4499 13.4499 13.6556 13.6650 k = 0.0600 0.0151 0.0091 ( 2418 PWs) bands (ev): -50.5593 -50.5593 -26.3472 -26.3472 -23.9138 -23.9138 -23.7887 -23.7887 -4.3442 -4.3442 -2.8943 -2.8943 4.0835 4.0835 7.7803 7.7803 7.7948 7.7952 8.7455 8.7455 8.9487 8.9496 9.4280 9.4280 9.9991 9.9991 12.9563 12.9563 13.2160 13.2233 13.4533 13.4533 13.6599 13.6669 k = 0.0400 0.0101 0.0061 ( 2418 PWs) bands (ev): -50.5593 -50.5593 -26.3472 -26.3472 -23.9138 -23.9138 -23.7887 -23.7887 -4.3476 -4.3476 -2.8880 -2.8880 4.0689 4.0689 7.7808 7.7808 7.7951 7.7954 8.7453 8.7453 8.9484 8.9489 9.5243 9.5243 9.9233 9.9233 12.9547 12.9547 13.2156 13.2205 13.4558 13.4558 13.6633 13.6680 k = 0.0200 0.0050 0.0030 ( 2418 PWs) bands (ev): -50.5593 -50.5593 -26.3472 -26.3472 -23.9138 -23.9138 -23.7887 -23.7887 -4.3497 -4.3497 -2.8843 -2.8843 4.0601 4.0601 7.7811 7.7811 7.7953 7.7955 8.7452 8.7452 8.9482 8.9485 9.6094 9.6094 9.8507 9.8507 12.9538 12.9538 13.2159 13.2184 13.4573 13.4573 13.6658 13.6682 k = 0.0000 0.0000 0.0000 ( 2427 PWs) bands (ev): -50.5594 -50.5594 -26.3473 -26.3473 -23.9139 -23.9139 -23.7887 -23.7887 -4.3504 -4.3504 -2.8830 -2.8830 4.0571 4.0571 7.7812 7.7812 7.7954 7.7954 8.7451 8.7451 8.9483 8.9483 9.6539 9.6539 9.8103 9.8103 12.9535 12.9535 13.2168 13.2168 13.4578 13.4578 13.6675 13.6675 k = 0.0000 0.0000 0.0000 ( 2427 PWs) bands (ev): -50.5594 -50.5594 -26.3473 -26.3473 -23.9139 -23.9139 -23.7887 -23.7887 -4.3504 -4.3504 -2.8830 -2.8830 4.0571 4.0571 7.7812 7.7812 7.7954 7.7954 8.7451 8.7451 8.9483 8.9483 9.6539 9.6539 9.8103 9.8103 12.9535 12.9535 13.2168 13.2168 13.4578 13.4578 13.6675 13.6675 k = 0.0052-0.0097-0.0184 ( 2421 PWs) bands (ev): -50.5593 -50.5593 -26.3473 -26.3473 -23.9139 -23.9139 -23.7888 -23.7888 -4.3492 -4.3492 -2.8825 -2.8825 4.0585 4.0585 7.7798 7.7801 7.7948 7.7950 8.7413 8.7415 8.9438 8.9439 9.6531 9.6542 9.8138 9.8149 12.9530 12.9532 13.2158 13.2159 13.4535 13.4537 13.6625 13.6626 k = 0.0105-0.0195-0.0367 ( 2417 PWs) bands (ev): -50.5592 -50.5592 -26.3475 -26.3475 -23.9139 -23.9139 -23.7893 -23.7893 -4.3457 -4.3457 -2.8809 -2.8809 4.0628 4.0628 7.7729 7.7743 7.7951 7.7965 8.7298 8.7306 8.9307 8.9317 9.6521 9.6541 9.8250 9.8270 12.9514 12.9523 13.2131 13.2138 13.4406 13.4411 13.6481 13.6486 k = 0.0157-0.0292-0.0551 ( 2415 PWs) bands (ev): -50.5591 -50.5591 -26.3478 -26.3477 -23.9140 -23.9140 -23.7900 -23.7900 -4.3399 -4.3398 -2.8783 -2.8783 4.0698 4.0698 7.7587 7.7613 7.7991 7.8017 8.7102 8.7123 8.9098 8.9130 9.6512 9.6536 9.8424 9.8453 12.9476 12.9505 13.2092 13.2118 13.4182 13.4198 13.6258 13.6272 k = 0.0210-0.0390-0.0735 ( 2411 PWs) bands (ev): -50.5589 -50.5589 -26.3482 -26.3481 -23.9142 -23.9141 -23.7911 -23.7911 -4.3317 -4.3316 -2.8746 -2.8746 4.0796 4.0796 7.7380 7.7416 7.8063 7.8100 8.6824 8.6866 8.8826 8.8895 9.6505 9.6532 9.8639 9.8683 12.9402 12.9468 13.2055 13.2114 13.3853 13.3895 13.5977 13.6007 k = 0.0262-0.0487-0.0919 ( 2407 PWs) bands (ev): -50.5586 -50.5586 -26.3487 -26.3486 -23.9144 -23.9143 -23.7924 -23.7924 -4.3211 -4.3210 -2.8699 -2.8698 4.0921 4.0922 7.7116 7.7161 7.8161 7.8207 8.6464 8.6535 8.8507 8.8625 9.6501 9.6528 9.8876 9.8943 12.9283 12.9404 13.2028 13.2141 13.3417 13.3507 13.5659 13.5713 k = 0.0314-0.0584-0.1102 ( 2415 PWs) bands (ev): -50.5585 -50.5585 -26.3494 -26.3493 -23.9146 -23.9145 -23.7941 -23.7940 -4.3083 -4.3082 -2.8641 -2.8640 4.1074 4.1075 7.6797 7.6851 7.8283 7.8338 8.6032 8.6134 8.8152 8.8327 9.6500 9.6526 9.9117 9.9217 12.9114 12.9305 13.1990 13.2197 13.2886 13.3083 13.5321 13.5402 k = 0.0367-0.0682-0.1286 ( 2419 PWs) bands (ev): -50.5583 -50.5583 -26.3502 -26.3501 -23.9150 -23.9148 -23.7961 -23.7959 -4.2932 -4.2930 -2.8573 -2.8572 4.1253 4.1255 7.6426 7.6489 7.8427 7.8491 8.5537 8.5666 8.7768 8.8002 9.6499 9.6523 9.9350 9.9491 12.8898 12.9167 13.1796 13.2136 13.2416 13.2802 13.4971 13.5080 k = 0.0419-0.0779-0.1470 ( 2421 PWs) bands (ev): -50.5580 -50.5580 -26.3511 -26.3510 -23.9153 -23.9151 -23.7983 -23.7980 -4.2759 -4.2756 -2.8495 -2.8494 4.1457 4.1460 7.6008 7.6078 7.8594 7.8666 8.4993 8.5142 8.7359 8.7647 9.6498 9.6521 9.9562 9.9752 12.8645 12.8995 13.1277 13.1510 13.2488 13.2836 13.4610 13.4746 k = 0.0472-0.0876-0.1654 ( 2421 PWs) bands (ev): -50.5577 -50.5577 -26.3521 -26.3519 -23.9157 -23.9155 -23.8008 -23.8004 -4.2563 -4.2560 -2.8407 -2.8406 4.1687 4.1691 7.5546 7.5623 7.8781 7.8860 8.4412 8.4572 8.6924 8.7260 9.6492 9.6517 9.9746 9.9989 12.8370 12.8799 13.0566 13.0768 13.2690 13.3039 13.4239 13.4398 k = 0.0524-0.0974-0.1837 ( 2423 PWs) bands (ev): -50.5574 -50.5574 -26.3533 -26.3530 -23.9162 -23.9160 -23.8035 -23.8030 -4.2345 -4.2341 -2.8309 -2.8308 4.1941 4.1947 7.5043 7.5126 7.8987 7.9071 8.3804 8.3964 8.6460 8.6836 9.6482 9.6509 9.9895 10.0195 12.8084 12.8591 12.9774 12.9985 13.2958 13.3287 13.3876 13.4051 k = 0.0576-0.1071-0.2021 ( 2421 PWs) bands (ev): -50.5570 -50.5570 -26.3545 -26.3541 -23.9168 -23.9164 -23.8065 -23.8057 -4.2106 -4.2100 -2.8202 -2.8201 4.2219 4.2227 7.4503 7.4592 7.9212 7.9297 8.3181 8.3328 8.5966 8.6373 9.6464 9.6497 10.0003 10.0363 12.7795 12.8375 12.8942 12.9188 13.3211 13.3352 13.3572 13.3913 k = 0.0629-0.1169-0.2205 ( 2423 PWs) bands (ev): -50.5566 -50.5566 -26.3559 -26.3554 -23.9174 -23.9170 -23.8097 -23.8087 -4.1845 -4.1838 -2.8085 -2.8084 4.2519 4.2529 7.3931 7.4024 7.9452 7.9532 8.2555 8.2671 8.5441 8.5869 9.6436 9.6477 10.0069 10.0488 12.7493 12.8048 12.8164 12.8453 13.2892 13.3175 13.3689 13.4223 k = 0.0681-0.1266-0.2389 ( 2427 PWs) bands (ev): -50.5561 -50.5561 -26.3573 -26.3568 -23.9181 -23.9176 -23.8131 -23.8119 -4.1564 -4.1555 -2.7959 -2.7957 4.2840 4.2853 7.3330 7.3427 7.9701 7.9764 8.1943 8.2001 8.4884 8.5322 9.6396 9.6448 10.0090 10.0568 12.7072 12.7236 12.7648 12.8097 13.2450 13.2752 13.4105 13.4645 k = 0.0733-0.1363-0.2572 ( 2427 PWs) bands (ev): -50.5557 -50.5557 -26.3589 -26.3582 -23.9189 -23.9183 -23.8167 -23.8151 -4.1263 -4.1252 -2.7824 -2.7822 4.3181 4.3197 7.2704 7.2804 7.9913 7.9984 8.1323 8.1400 8.4296 8.4733 9.6343 9.6407 10.0067 10.0600 12.6318 12.6469 12.7295 12.7932 13.1979 13.2307 13.4562 13.5113 k = 0.0786-0.1461-0.2756 ( 2427 PWs) bands (ev): -50.5551 -50.5551 -26.3605 -26.3597 -23.9198 -23.9190 -23.8204 -23.8186 -4.0942 -4.0928 -2.7680 -2.7678 4.3539 4.3560 7.2059 7.2160 7.9890 8.0170 8.0714 8.1071 8.3680 8.4102 9.6273 9.6353 10.0002 10.0585 12.5477 12.5681 12.7095 12.7812 13.1488 13.1846 13.5054 13.5614 k = 0.0838-0.1558-0.2940 ( 2425 PWs) bands (ev): -50.5546 -50.5546 -26.3623 -26.3613 -23.9207 -23.9199 -23.8243 -23.8220 -4.0601 -4.0585 -2.7528 -2.7526 4.3915 4.3940 7.1397 7.1498 7.9508 7.9797 8.0671 8.1106 8.3039 8.3431 9.6184 9.6284 9.9895 10.0523 12.4647 12.4889 12.6962 12.7726 13.0984 13.1376 13.5574 13.6140 k = 0.0891-0.1655-0.3124 ( 2421 PWs) bands (ev): -50.5539 -50.5539 -26.3641 -26.3629 -23.9218 -23.9208 -23.8283 -23.8256 -4.0242 -4.0222 -2.7368 -2.7366 4.4305 4.4335 7.0724 7.0823 7.8944 7.9111 8.0939 8.1334 8.2378 8.2724 9.6075 9.6199 9.9751 10.0415 12.3841 12.4114 12.6878 12.7670 13.0472 13.0902 13.6117 13.6686 k = 0.0943-0.1753-0.3307 ( 2423 PWs) bands (ev): -50.5534 -50.5534 -26.3661 -26.3646 -23.9230 -23.9219 -23.8323 -23.8293 -3.9865 -3.9842 -2.7201 -2.7197 4.4708 4.4744 7.0043 7.0139 7.8323 7.8387 8.1235 8.1616 8.1714 8.1986 9.5943 9.6097 9.9571 10.0265 12.3065 12.3366 12.6837 12.7637 12.9959 13.0434 13.6680 13.7248 k = 0.0995-0.1850-0.3491 ( 2423 PWs) bands (ev): -50.5528 -50.5528 -26.3681 -26.3664 -23.9243 -23.9231 -23.8365 -23.8330 -3.9471 -3.9444 -2.7025 -2.7022 4.5121 4.5164 6.9360 6.9451 7.7637 7.7690 8.1011 8.1211 8.1552 8.1948 9.5788 9.5977 9.9359 10.0074 12.2325 12.2649 12.6832 12.7616 12.9454 12.9985 13.7256 13.7820 k = 0.1048-0.1948-0.3675 ( 2421 PWs) bands (ev): -50.5521 -50.5521 -26.3701 -26.3682 -23.9257 -23.9244 -23.8406 -23.8366 -3.9060 -3.9028 -2.6843 -2.6839 4.5541 4.5593 6.8678 6.8763 7.6875 7.7038 8.0327 8.0427 8.1853 8.2274 9.5609 9.5841 9.9118 9.9845 12.1623 12.1968 12.6856 12.7587 12.8969 12.9574 13.7843 13.8398 k = 0.1100-0.2045-0.3859 ( 2425 PWs) bands (ev): -50.5515 -50.5515 -26.3723 -26.3701 -23.9272 -23.9258 -23.8448 -23.8403 -3.8633 -3.8596 -2.6654 -2.6650 4.5966 4.6027 6.8003 6.8079 7.6090 7.6379 7.9617 7.9662 8.2149 8.2602 9.5406 9.5691 9.8852 9.9582 12.0963 12.1325 12.6891 12.7513 12.8528 12.9235 13.8434 13.8978 k = 0.1153-0.2142-0.4042 ( 2425 PWs) bands (ev): -50.5508 -50.5508 -26.3745 -26.3721 -23.9289 -23.9274 -23.8490 -23.8440 -3.8191 -3.8149 -2.6459 -2.6454 4.6393 4.6464 6.7339 6.7404 7.5281 7.5706 7.8823 7.8995 8.2431 8.2923 9.5181 9.5529 9.8562 9.9288 12.0347 12.0721 12.6902 12.7349 12.8171 12.9014 13.9026 13.9555 k = 0.1205-0.2240-0.4226 ( 2437 PWs) bands (ev): -50.5503 -50.5503 -26.3769 -26.3741 -23.9307 -23.9292 -23.8531 -23.8476 -3.7735 -3.7688 -2.6259 -2.6253 4.6817 4.6901 6.6691 6.6743 7.4446 7.5013 7.8036 7.8356 8.2691 8.3229 9.4936 9.5360 9.8252 9.8965 11.9776 12.0155 12.6812 12.7101 12.7953 12.8932 13.9614 14.0125 k = 0.1257-0.2337-0.4410 ( 2437 PWs) bands (ev): -50.5496 -50.5496 -26.3792 -26.3761 -23.9327 -23.9312 -23.8571 -23.8512 -3.7266 -3.7212 -2.6053 -2.6046 4.7235 4.7331 6.6064 6.6101 7.3585 7.4292 7.7275 7.7745 8.2921 8.3513 9.4677 9.5189 9.7924 9.8616 11.9249 11.9628 12.6554 12.6828 12.7911 12.8964 14.0193 14.0684 k = 0.1310-0.2434-0.4594 ( 2435 PWs) bands (ev): -50.5489 -50.5489 -26.3816 -26.3781 -23.9347 -23.9333 -23.8610 -23.8546 -3.6785 -3.6723 -2.5842 -2.5834 4.7642 4.7753 6.5462 6.5487 7.2699 7.3534 7.6554 7.7167 8.3112 8.3765 9.4409 9.5025 9.7582 9.8244 11.8767 11.9136 12.6213 12.6530 12.8002 12.9072 14.0760 14.1228 k = 0.1362-0.2532-0.4777 ( 2437 PWs) bands (ev): -50.5482 -50.5482 -26.3840 -26.3801 -23.9369 -23.9356 -23.8648 -23.8580 -3.6292 -3.6223 -2.5626 -2.5618 4.8032 4.8159 6.4884 6.4910 7.1790 7.2733 7.5883 7.6623 8.3255 8.3975 9.4138 9.4874 9.7228 9.7851 11.8329 11.8680 12.5866 12.6220 12.8167 12.9225 14.1311 14.1753 k = 0.1415-0.2629-0.4961 ( 2437 PWs) bands (ev): -50.5475 -50.5475 -26.3865 -26.3821 -23.9391 -23.9381 -23.8684 -23.8613 -3.5788 -3.5712 -2.5407 -2.5398 4.8401 4.8546 6.4335 6.4380 7.0861 7.1889 7.5269 7.6114 8.3340 8.4132 9.3873 9.4744 9.6867 9.7441 11.7933 11.8257 12.5543 12.5922 12.8373 12.9407 14.1842 14.2256 k = 0.1467-0.2727-0.5145 ( 2439 PWs) bands (ev): -50.5468 -50.5468 -26.3890 -26.3842 -23.9415 -23.9408 -23.8719 -23.8645 -3.5276 -3.5190 -2.5185 -2.5175 4.8743 4.8905 6.3826 6.3898 6.9918 7.1007 7.4711 7.5641 8.3359 8.4223 9.3620 9.4641 9.6504 9.7016 11.7579 11.7867 12.5255 12.5649 12.8602 12.9609 14.2350 14.2733 k = 0.1519-0.2824-0.5329 ( 2443 PWs) bands (ev): -50.5461 -50.5461 -26.3915 -26.3863 -23.9441 -23.9436 -23.8752 -23.8676 -3.4755 -3.4661 -2.4960 -2.4949 4.9051 4.9232 6.3365 6.3467 6.8964 7.0095 7.4206 7.5203 8.3304 8.4238 9.3384 9.4568 9.6146 9.6580 11.7265 11.7509 12.5008 12.5408 12.8847 12.9821 14.2832 14.3182 k = 0.1572-0.2921-0.5512 ( 2449 PWs) bands (ev): -50.5455 -50.5455 -26.3940 -26.3883 -23.9469 -23.9464 -23.8783 -23.8706 -3.4228 -3.4123 -2.4733 -2.4721 4.9320 4.9520 6.2958 6.3095 6.8006 6.9160 7.3751 7.4801 8.3172 8.4168 9.3167 9.4519 9.5804 9.6141 11.6993 11.7184 12.4804 12.5205 12.9100 13.0040 14.3288 14.3601 k = 0.1624-0.3019-0.5696 ( 2449 PWs) bands (ev): -50.5448 -50.5448 -26.3965 -26.3904 -23.9500 -23.9490 -23.8812 -23.8735 -3.3694 -3.3580 -2.4504 -2.4491 4.9545 4.9762 6.2609 6.2785 6.7048 6.8211 7.3339 7.4432 8.2961 8.4008 9.2963 9.4475 9.5501 9.5713 11.6762 11.6897 12.4642 12.5040 12.9357 13.0260 14.3714 14.3989 k = 0.1676-0.3116-0.5880 ( 2451 PWs) bands (ev): -50.5441 -50.5441 -26.3990 -26.3924 -23.9534 -23.9516 -23.8840 -23.8762 -3.3157 -3.3031 -2.4275 -2.4261 4.9722 4.9954 6.2321 6.2540 6.6097 6.7257 7.2968 7.4096 8.2672 8.3755 9.2758 9.4376 9.5281 9.5326 11.6570 11.6652 12.4520 12.4912 12.9614 13.0478 14.4111 14.4346 k = 0.1729-0.3213-0.6064 ( 2453 PWs) bands (ev): -50.5434 -50.5434 -26.4015 -26.3943 -23.9568 -23.9542 -23.8866 -23.8789 -3.2616 -3.2479 -2.4045 -2.4030 4.9848 5.0093 6.2091 6.2363 6.5162 6.6305 7.2635 7.3794 8.2310 8.3414 9.2532 9.4137 9.5025 9.5199 11.6403 11.6469 12.4435 12.4819 12.9866 13.0689 14.4479 14.4671 k = 0.1781-0.3311-0.6247 ( 2451 PWs) bands (ev): -50.5427 -50.5427 -26.4040 -26.3963 -23.9603 -23.9568 -23.8890 -23.8816 -3.2074 -3.1925 -2.3815 -2.3800 4.9925 5.0177 6.1905 6.2251 6.4259 6.5364 7.2337 7.3523 8.1881 8.2990 9.2266 9.3753 9.4834 9.5245 11.6253 11.6364 12.4382 12.4758 13.0110 13.0891 14.4818 14.4965 k = 0.1834-0.3408-0.6431 ( 2451 PWs) bands (ev): -50.5420 -50.5420 -26.4064 -26.3982 -23.9638 -23.9594 -23.8913 -23.8841 -3.1532 -3.1370 -2.3587 -2.3570 4.9954 5.0209 6.1721 6.2200 6.3424 6.4447 7.2072 7.3284 8.1392 8.2492 9.1950 9.3288 9.4740 9.5367 11.6144 11.6318 12.4356 12.4726 13.0343 13.1080 14.5128 14.5230 k = 0.1886-0.3506-0.6615 ( 2447 PWs) bands (ev): -50.5413 -50.5413 -26.4088 -26.4000 -23.9674 -23.9619 -23.8935 -23.8866 -3.0990 -3.0815 -2.3361 -2.3343 4.9941 5.0193 6.1423 6.2201 6.2737 6.3593 7.1838 7.3076 8.0850 8.1930 9.1585 9.2782 9.4723 9.5529 11.6086 11.6326 12.4351 12.4718 13.0561 13.1252 14.5412 14.5471 k = 0.1938-0.3603-0.6799 ( 2449 PWs) bands (ev): -50.5407 -50.5406 -26.4112 -26.4018 -23.9710 -23.9643 -23.8955 -23.8890 -3.0452 -3.0263 -2.3137 -2.3118 4.9892 5.0136 6.0869 6.2149 6.2278 6.2966 7.1636 7.2897 8.0262 8.1312 9.1178 9.2254 9.4765 9.5715 11.6083 11.6386 12.4363 12.4729 13.0761 13.1405 14.5659 14.5700 k = 0.1991-0.3700-0.6982 ( 2455 PWs) bands (ev): -50.5401 -50.5401 -26.4135 -26.4036 -23.9746 -23.9667 -23.8975 -23.8914 -2.9918 -2.9714 -2.2916 -2.2896 4.9817 5.0046 6.0127 6.1444 6.2353 6.2774 7.1463 7.2748 7.9635 8.0647 9.0741 9.1711 9.4850 9.5915 11.6137 11.6497 12.4387 12.4757 13.0939 13.1537 14.5860 14.5934 k = 0.2043-0.3798-0.7166 ( 2451 PWs) bands (ev): -50.5394 -50.5394 -26.4158 -26.4053 -23.9780 -23.9689 -23.8994 -23.8938 -2.9390 -2.9171 -2.2699 -2.2678 4.9724 4.9933 5.9324 6.0623 6.2484 6.2820 7.1318 7.2628 7.8974 7.9943 9.0280 9.1157 9.4965 9.6122 11.6248 11.6656 12.4418 12.4797 13.1094 13.1644 14.6036 14.6158 k = 0.2096-0.3895-0.7350 ( 2451 PWs) bands (ev): -50.5388 -50.5388 -26.4180 -26.4069 -23.9814 -23.9710 -23.9012 -23.8961 -2.8870 -2.8636 -2.2486 -2.2464 4.9621 4.9806 5.8512 5.9793 6.2648 6.2954 7.1200 7.2535 7.8286 7.9205 8.9802 9.0597 9.5103 9.6336 11.6413 11.6859 12.4453 12.4849 13.1223 13.1726 14.6196 14.6371 k = 0.2148-0.3992-0.7534 ( 2453 PWs) bands (ev): -50.5383 -50.5382 -26.4202 -26.4085 -23.9847 -23.9729 -23.9030 -23.8984 -2.8358 -2.8108 -2.2279 -2.2256 4.9517 4.9675 5.7711 5.8978 6.2835 6.3130 7.1108 7.2469 7.7574 7.8440 8.9312 9.0031 9.5259 9.6553 11.6626 11.7098 12.4491 12.4911 13.1324 13.1780 14.6345 14.6572 k = 0.2200-0.4090-0.7717 ( 2455 PWs) bands (ev): -50.5377 -50.5377 -26.4222 -26.4100 -23.9880 -23.9747 -23.9047 -23.9007 -2.7858 -2.7592 -2.2078 -2.2054 4.9419 4.9547 5.6930 5.8185 6.3034 6.3326 7.1041 7.2428 7.6844 7.7652 8.8815 8.9462 9.5430 9.6775 11.6881 11.7364 12.4531 12.4986 13.1395 13.1806 14.6486 14.6765 k = 0.2253-0.4187-0.7901 ( 2455 PWs) bands (ev): -50.5372 -50.5372 -26.4242 -26.4114 -23.9910 -23.9764 -23.9064 -23.9030 -2.7370 -2.7087 -2.1883 -2.1859 4.9336 4.9430 5.6174 5.7420 6.3239 6.3531 7.0996 7.2411 7.6099 7.6845 8.8312 8.8892 9.5617 9.7003 11.7167 11.7645 12.4578 12.5079 13.1437 13.1805 14.6622 14.6953 k = 0.2305-0.4285-0.8085 ( 2453 PWs) bands (ev): -50.5366 -50.5366 -26.4261 -26.4128 -23.9939 -23.9778 -23.9080 -23.9053 -2.6895 -2.6596 -2.1696 -2.1671 4.9273 4.9331 5.5447 5.6685 6.3440 6.3737 7.0972 7.2416 7.5346 7.6024 8.7808 8.8321 9.5819 9.7239 11.7470 11.7927 12.4635 12.5196 13.1449 13.1776 14.6756 14.7136 k = 0.2358-0.4382-0.8269 ( 2447 PWs) bands (ev): -50.5361 -50.5361 -26.4279 -26.4140 -23.9966 -23.9791 -23.9096 -23.9076 -2.6437 -2.6120 -2.1517 -2.1491 4.9233 4.9257 5.4751 5.5982 6.3634 6.3937 7.0965 7.2437 7.4591 7.5192 8.7303 8.7753 9.6036 9.7486 11.7774 11.8192 12.4713 12.5347 13.1433 13.1721 14.6889 14.7315 k = 0.2410-0.4479-0.8452 ( 2451 PWs) bands (ev): -50.5356 -50.5356 -26.4297 -26.4152 -23.9992 -23.9802 -23.9111 -23.9099 -2.5995 -2.5661 -2.1347 -2.1320 4.9201 4.9233 5.4087 5.5312 6.3815 6.4126 7.0970 7.2466 7.3847 7.4353 8.6801 8.7188 9.6271 9.7745 11.8059 11.8422 12.4822 12.5544 13.1390 13.1643 14.7022 14.7492 k = 0.2462-0.4577-0.8636 ( 2449 PWs) bands (ev): -50.5352 -50.5352 -26.4314 -26.4164 -24.0016 -23.9810 -23.9126 -23.9122 -2.5571 -2.5221 -2.1186 -2.1158 4.9187 4.9259 5.3459 5.4678 6.3978 6.4300 7.0977 7.2455 7.3159 7.3523 8.6304 8.6629 9.6522 9.8017 11.8302 11.8601 12.4979 12.5798 13.1324 13.1544 14.7155 14.7666 k = 0.2515-0.4674-0.8820 ( 2445 PWs) bands (ev): -50.5347 -50.5347 -26.4329 -26.4174 -24.0038 -23.9817 -23.9145 -23.9141 -2.5167 -2.4800 -2.1034 -2.1006 4.9206 4.9325 5.2866 5.4080 6.4120 6.4456 7.0954 7.2171 7.2580 7.2916 8.5815 8.6079 9.6790 9.8306 11.8485 11.8713 12.5196 12.6115 13.1238 13.1429 14.7288 14.7836 k = 0.2567-0.4771-0.9004 ( 2447 PWs) bands (ev): -50.5343 -50.5343 -26.4344 -26.4183 -24.0059 -23.9822 -23.9168 -23.9155 -2.4784 -2.4401 -2.0893 -2.0864 4.9263 4.9432 5.2311 5.3521 6.4238 6.4589 7.0794 7.1660 7.1821 7.2884 8.5334 8.5539 9.7074 9.8609 11.8590 11.8752 12.5483 12.6498 13.1138 13.1304 14.7419 14.8000 k = 0.2620-0.4869-0.9187 ( 2445 PWs) bands (ev): -50.5340 -50.5339 -26.4357 -26.4192 -24.0077 -23.9825 -23.9191 -23.9169 -2.4423 -2.4023 -2.0763 -2.0733 4.9360 4.9581 5.1797 5.3000 6.4328 6.4695 7.0331 7.0910 7.1529 7.2965 8.4866 8.5013 9.7374 9.8928 11.8611 11.8716 12.5841 12.6942 13.1030 13.1178 14.7547 14.8158 k = 0.2672-0.4966-0.9371 ( 2449 PWs) bands (ev): -50.5337 -50.5337 -26.4370 -26.4200 -24.0094 -23.9826 -23.9214 -23.9183 -2.4084 -2.3669 -2.0643 -2.0614 4.9495 4.9774 5.1327 5.2519 6.4384 6.4770 6.9689 7.0085 7.1508 7.3072 8.4412 8.4505 9.7686 9.9260 11.8547 11.8611 12.6264 12.7430 13.0920 13.1062 14.7669 14.8306 k = 0.2724-0.5064-0.9555 ( 2445 PWs) bands (ev): -50.5333 -50.5333 -26.4381 -26.4207 -24.0108 -23.9825 -23.9236 -23.9196 -2.3770 -2.3339 -2.0536 -2.0506 4.9662 5.0005 5.0913 5.2080 6.4400 6.4804 6.9017 6.9274 7.1550 7.3188 8.3968 8.4025 9.8007 9.9604 11.8407 11.8445 12.6731 12.7939 13.0820 13.0979 14.7783 14.8443 k = 0.2777-0.5161-0.9739 ( 2445 PWs) bands (ev): -50.5330 -50.5330 -26.4392 -26.4214 -24.0121 -23.9822 -23.9259 -23.9209 -2.3479 -2.3035 -2.0440 -2.0410 4.9833 5.0235 5.0623 5.1687 6.4362 6.4786 6.8371 6.8495 7.1610 7.3306 8.3525 8.3591 9.8335 9.9955 11.8204 11.8231 12.7217 12.8426 13.0747 13.0961 14.7885 14.8565 k = 0.2829-0.5258-0.9922 ( 2447 PWs) bands (ev): -50.5328 -50.5328 -26.4401 -26.4219 -24.0132 -23.9817 -23.9281 -23.9221 -2.3213 -2.2755 -2.0356 -2.0326 4.9849 5.0328 5.0737 5.1355 6.4254 6.4692 6.7762 6.7797 7.1673 7.3419 8.3093 8.3199 9.8664 10.0310 11.7953 11.7982 12.7683 12.8831 13.0733 13.1059 14.7974 14.8670 k = 0.2881-0.5356-1.0106 ( 2447 PWs) bands (ev): -50.5326 -50.5326 -26.4410 -26.4224 -24.0142 -23.9811 -23.9303 -23.9232 -2.2972 -2.2502 -2.0285 -2.0254 4.9629 5.0480 5.1028 5.1194 6.4052 6.4492 6.7135 6.7303 7.1731 7.3521 8.2690 8.2841 9.8989 10.0663 11.7670 11.7711 12.8080 12.9087 13.0818 13.1322 14.8045 14.8754 k = 0.2934-0.5453-1.0290 ( 2449 PWs) bands (ev): -50.5324 -50.5324 -26.4417 -26.4229 -24.0150 -23.9804 -23.9324 -23.9242 -2.2757 -2.2275 -2.0226 -2.0195 4.9370 5.0479 5.1154 5.1558 6.3739 6.4151 6.6633 6.6929 7.1777 7.3606 8.2326 8.2516 9.9304 10.1009 11.7371 11.7431 12.8365 12.9188 13.1040 13.1749 14.8095 14.8816 k = 0.2986-0.5551-1.0474 ( 2447 PWs) bands (ev): -50.5322 -50.5322 -26.4424 -26.4232 -24.0156 -23.9796 -23.9345 -23.9252 -2.2566 -2.2074 -2.0179 -2.0148 4.9131 5.0307 5.1478 5.2037 6.3319 6.3663 6.6278 6.6669 7.1808 7.3667 8.2005 8.2227 9.9602 10.1339 11.7070 11.7155 12.8529 12.9185 13.1395 13.2279 14.8123 14.8851 k = 0.3039-0.5648-1.0657 ( 2439 PWs) bands (ev): -50.5320 -50.5320 -26.4429 -26.4235 -24.0161 -23.9786 -23.9364 -23.9260 -2.2400 -2.1898 -2.0144 -2.0113 4.8923 5.0119 5.1888 5.2567 6.2823 6.3062 6.6045 6.6497 7.1819 7.3699 8.1732 8.1976 9.9878 10.1647 11.6781 11.6895 12.8599 12.9132 13.1845 13.2853 14.8125 14.8859 k = 0.3091-0.5745-1.0841 ( 2439 PWs) bands (ev): -50.5319 -50.5319 -26.4433 -26.4237 -24.0165 -23.9777 -23.9381 -23.9268 -2.2258 -2.1749 -2.0121 -2.0090 4.8749 4.9954 5.2337 5.3136 6.2287 6.2400 6.5892 6.6385 7.1807 7.3696 8.1513 8.1766 10.0123 10.1924 11.6519 11.6662 12.8615 12.9061 13.2340 13.3429 14.8100 14.8837 k = 0.3143-0.5843-1.1025 ( 2443 PWs) bands (ev): -50.5318 -50.5318 -26.4437 -26.4239 -24.0167 -23.9768 -23.9397 -23.9274 -2.2140 -2.1624 -2.0110 -2.0079 4.8609 4.9819 5.2802 5.3736 6.1714 6.1757 6.5786 6.6310 7.1770 7.3655 8.1349 8.1596 10.0333 10.2164 11.6295 11.6466 12.8609 12.8993 13.2837 13.3980 14.8046 14.8784 k = 0.3196-0.5940-1.1208 ( 2443 PWs) bands (ev): -50.5318 -50.5317 -26.4440 -26.4240 -24.0169 -23.9760 -23.9410 -23.9279 -2.2044 -2.1524 -2.0110 -2.0079 4.8503 4.9715 5.3259 5.4350 6.1052 6.1258 6.5709 6.6258 7.1707 7.3575 8.1240 8.1468 10.0502 10.2358 11.6120 11.6316 12.8600 12.8939 13.3309 13.4485 14.7963 14.8700 k = 0.3248-0.6037-1.1392 ( 2443 PWs) bands (ev): -50.5317 -50.5317 -26.4442 -26.4241 -24.0170 -23.9754 -23.9419 -23.9282 -2.1971 -2.1447 -2.0121 -2.0090 4.8430 4.9644 5.3675 5.4947 6.0445 6.0840 6.5649 6.6219 7.1620 7.3457 8.1184 8.1379 10.0626 10.2500 11.6004 11.6219 12.8603 12.8906 13.3734 13.4929 14.7852 14.8585 k = 0.3301-0.6135-1.1576 ( 2441 PWs) bands (ev): -50.5317 -50.5317 -26.4442 -26.4242 -24.0171 -23.9750 -23.9425 -23.9284 -2.1919 -2.1392 -2.0143 -2.0112 4.8389 4.9603 5.4005 5.5466 5.9963 6.0551 6.5601 6.6192 7.1509 7.3306 8.1177 8.1327 10.0703 10.2589 11.5951 11.6179 12.8626 12.8899 13.4095 13.5298 14.7713 14.8440 k = 0.3353-0.6232-1.1760 ( 2441 PWs) bands (ev): -50.5317 -50.5316 -26.4442 -26.4242 -24.0171 -23.9749 -23.9425 -23.9284 -2.1887 -2.1359 -2.0175 -2.0144 4.8377 4.9591 5.4200 5.5797 5.9715 6.0443 6.5565 6.6174 7.1378 7.3126 8.1211 8.1308 10.0732 10.2621 11.5966 11.6198 12.8676 12.8924 13.4380 13.5583 14.7549 14.8268 k = 0.3405-0.6330-1.1943 ( 2453 PWs) bands (ev): -50.5318 -50.5318 -26.4442 -26.4242 -24.0171 -23.9753 -23.9421 -23.9283 -2.1873 -2.1346 -2.0217 -2.0185 4.8394 4.9607 5.4219 5.5823 5.9819 6.0551 6.5540 6.6168 7.1229 7.2923 8.1279 8.1319 10.0716 10.2601 11.6047 11.6276 12.8755 12.8983 13.4583 13.5776 14.7361 14.8070 k = 0.6595-0.5070-1.1185 ( 2453 PWs) bands (ev): -50.5318 -50.5318 -26.4442 -26.4242 -24.0171 -23.9753 -23.9421 -23.9283 -2.1873 -2.1346 -2.0217 -2.0185 4.8394 4.9607 5.4219 5.5823 5.9819 6.0551 6.5540 6.6168 7.1229 7.2923 8.1279 8.1319 10.0716 10.2601 11.6047 11.6276 12.8755 12.8983 13.4583 13.5776 14.7361 14.8070 k = 0.6543-0.4866-1.1185 ( 2455 PWs) bands (ev): -50.5319 -50.5319 -26.4441 -26.4241 -24.0171 -23.9760 -23.9412 -23.9280 -2.1876 -2.1352 -2.0266 -2.0234 4.8437 4.9647 5.4066 5.5553 6.0257 6.0868 6.5531 6.6176 7.1071 7.2708 8.1352 8.1373 10.0660 10.2532 11.6188 11.6407 12.8864 12.9078 13.4697 13.5873 14.7156 14.7851 k = 0.6492-0.4662-1.1185 ( 2449 PWs) bands (ev): -50.5319 -50.5319 -26.4439 -26.4240 -24.0170 -23.9769 -23.9399 -23.9275 -2.1895 -2.1374 -2.0323 -2.0291 4.8502 4.9709 5.3770 5.5094 6.0916 6.1356 6.5544 6.6208 7.0905 7.2485 8.1404 8.1485 10.0570 10.2423 11.6385 11.6587 12.9005 12.9210 13.4728 13.5879 14.6929 14.7611 k = 0.6440-0.4457-1.1185 ( 2447 PWs) bands (ev): -50.5319 -50.5319 -26.4436 -26.4239 -24.0170 -23.9782 -23.9381 -23.9268 -2.1929 -2.1412 -2.0388 -2.0356 4.8589 4.9790 5.3372 5.4539 6.1686 6.1957 6.5597 6.6277 7.0736 7.2258 8.1470 8.1610 10.0450 10.2279 11.6628 11.6812 12.9178 12.9382 13.4680 13.5798 14.6683 14.7349 k = 0.6389-0.4253-1.1185 ( 2453 PWs) bands (ev): -50.5321 -50.5321 -26.4433 -26.4238 -24.0171 -23.9797 -23.9361 -23.9259 -2.1975 -2.1464 -2.0458 -2.0426 4.8694 4.9889 5.2908 5.3940 6.2481 6.2611 6.5719 6.6411 7.0568 7.2034 8.1544 8.1741 10.0307 10.2109 11.6911 11.7076 12.9380 12.9595 13.4561 13.5637 14.6416 14.7066 k = 0.6337-0.4049-1.1185 ( 2453 PWs) bands (ev): -50.5322 -50.5322 -26.4429 -26.4237 -24.0171 -23.9814 -23.9338 -23.9248 -2.2032 -2.1529 -2.0535 -2.0503 4.8815 5.0003 5.2406 5.3325 6.3188 6.3265 6.5972 6.6655 7.0407 7.1817 8.1624 8.1874 10.0147 10.1920 11.7224 11.7372 12.9604 12.9847 13.4383 13.5408 14.6129 14.6762 k = 0.6286-0.3845-1.1185 ( 2459 PWs) bands (ev): -50.5324 -50.5323 -26.4425 -26.4236 -24.0172 -23.9832 -23.9313 -23.9236 -2.2099 -2.1605 -2.0616 -2.0584 4.8948 5.0127 5.1884 5.2707 6.3703 6.3842 6.6436 6.7071 7.0260 7.1613 8.1705 8.2004 9.9976 10.1720 11.7559 11.7695 12.9842 13.0135 13.4165 13.5125 14.5821 14.6436 k = 0.6235-0.3641-1.1185 ( 2465 PWs) bands (ev): -50.5325 -50.5325 -26.4421 -26.4235 -24.0174 -23.9850 -23.9287 -23.9222 -2.2176 -2.1691 -2.0702 -2.0670 4.9089 5.0258 5.1357 5.2095 6.4033 6.4235 6.7141 6.7702 7.0133 7.1429 8.1784 8.2128 9.9799 10.1513 11.7907 11.8040 13.0076 13.0451 13.3932 13.4807 14.5491 14.6089 k = 0.6183-0.3436-1.1185 ( 2465 PWs) bands (ev): -50.5327 -50.5327 -26.4415 -26.4234 -24.0176 -23.9869 -23.9260 -23.9207 -2.2259 -2.1785 -2.0791 -2.0759 4.9230 5.0382 5.0849 5.1498 6.4212 6.4462 6.8011 6.8530 7.0046 7.1271 8.1857 8.2243 9.9621 10.1305 11.8260 11.8400 13.0275 13.0778 13.3722 13.4483 14.5142 14.5722 k = 0.6132-0.3232-1.1185 ( 2465 PWs) bands (ev): -50.5328 -50.5328 -26.4410 -26.4233 -24.0178 -23.9889 -23.9231 -23.9190 -2.2349 -2.1887 -2.0883 -2.0851 4.9352 5.0263 5.0608 5.0926 6.4297 6.4576 6.8905 6.9481 7.0074 7.1161 8.1924 8.2346 9.9445 10.1099 11.8614 11.8769 13.0396 13.1082 13.3583 13.4201 14.4773 14.5336 k = 0.6080-0.3028-1.1185 ( 2463 PWs) bands (ev): -50.5329 -50.5329 -26.4404 -26.4231 -24.0181 -23.9908 -23.9203 -23.9171 -2.2443 -2.1995 -2.0976 -2.0945 4.9374 4.9862 5.0408 5.0724 6.4330 6.4621 6.9460 7.0246 7.0699 7.1199 8.1981 8.2435 9.9274 10.0900 11.8964 11.9141 13.0389 13.1295 13.3568 13.4042 14.4387 14.4932 k = 0.6029-0.2824-1.1185 ( 2463 PWs) bands (ev): -50.5331 -50.5330 -26.4397 -26.4230 -24.0183 -23.9928 -23.9174 -23.9152 -2.2541 -2.2107 -2.1071 -2.1040 4.9093 4.9558 5.0106 5.0865 6.4332 6.4622 6.9566 7.0591 7.1721 7.1873 8.2027 8.2512 9.9109 10.0708 11.9305 11.9509 13.0231 13.1328 13.3710 13.4097 14.3988 14.4513 k = 0.5977-0.2620-1.1185 ( 2459 PWs) bands (ev): -50.5332 -50.5331 -26.4391 -26.4229 -24.0186 -23.9947 -23.9145 -23.9131 -2.2641 -2.2223 -2.1166 -2.1136 4.8650 4.9119 5.0132 5.1006 6.4313 6.4593 6.9588 7.0620 7.2778 7.3045 8.2063 8.2574 9.8951 10.0524 11.9633 11.9867 12.9944 13.1147 13.4027 13.4373 14.3580 14.4082 k = 0.5926-0.2416-1.1185 ( 2463 PWs) bands (ev): -50.5334 -50.5333 -26.4384 -26.4229 -24.0190 -23.9966 -23.9117 -23.9111 -2.2743 -2.2340 -2.1261 -2.1232 4.8190 4.8631 5.0260 5.1142 6.4281 6.4545 6.9615 7.0606 7.3924 7.4272 8.2087 8.2626 9.8802 10.0348 11.9944 12.0211 12.9570 13.0812 13.4488 13.4803 14.3170 14.3645 k = 0.5874-0.2211-1.1185 ( 2461 PWs) bands (ev): -50.5335 -50.5335 -26.4377 -26.4228 -24.0193 -23.9985 -23.9089 -23.9089 -2.2844 -2.2459 -2.1355 -2.1326 4.7739 4.8148 5.0409 5.1272 6.4237 6.4481 6.9665 7.0603 7.5098 7.5519 8.2100 8.2670 9.8659 10.0181 12.0234 12.0535 12.9145 13.0397 13.5042 13.5331 14.2765 14.3209 k = 0.5823-0.2007-1.1185 ( 2459 PWs) bands (ev): -50.5336 -50.5336 -26.4370 -26.4228 -24.0197 -24.0003 -23.9067 -23.9062 -2.2945 -2.2578 -2.1447 -2.1419 4.7306 4.7683 5.0563 5.1394 6.4184 6.4406 6.9744 7.0623 7.6273 7.6774 8.2104 8.2715 9.8523 10.0019 12.0498 12.0835 12.8699 12.9947 13.5648 13.5920 14.2380 14.2781 k = 0.5772-0.1803-1.1185 ( 2457 PWs) bands (ev): -50.5337 -50.5337 -26.4363 -26.4228 -24.0200 -24.0020 -23.9045 -23.9035 -2.3044 -2.2696 -2.1537 -2.1510 4.6892 4.7239 5.0713 5.1505 6.4125 6.4324 6.9852 7.0670 7.7421 7.8025 8.2102 8.2779 9.8390 9.9862 12.0732 12.1103 12.8251 12.9490 13.6272 13.6541 14.2031 14.2376 k = 0.5720-0.1599-1.1185 ( 2457 PWs) bands (ev): -50.5339 -50.5338 -26.4356 -26.4228 -24.0203 -24.0037 -23.9024 -23.9010 -2.3139 -2.2811 -2.1623 -2.1598 4.6500 4.6819 5.0859 5.1607 6.4059 6.4235 6.9990 7.0743 7.8502 7.9257 8.2100 8.2897 9.8259 9.9705 12.0932 12.1336 12.7818 12.9043 13.6873 13.7164 14.1748 14.2017 k = 0.5669-0.1395-1.1185 ( 2455 PWs) bands (ev): -50.5340 -50.5340 -26.4348 -26.4228 -24.0206 -24.0054 -23.9002 -23.8986 -2.3231 -2.2924 -2.1707 -2.1683 4.6132 4.6423 5.0996 5.1697 6.3990 6.4143 7.0153 7.0841 7.9448 8.0436 8.2124 8.3134 9.8126 9.9547 12.1095 12.1525 12.7413 12.8618 13.7397 13.7743 14.1579 14.1745 k = 0.5617-0.1190-1.1185 ( 2449 PWs) bands (ev): -50.5340 -50.5340 -26.4341 -26.4229 -24.0208 -24.0069 -23.8981 -23.8964 -2.3319 -2.3032 -2.1786 -2.1764 4.5789 4.6053 5.1125 5.1776 6.3917 6.4050 7.0340 7.0962 8.0163 8.1387 8.2339 8.3587 9.7987 9.9382 12.1217 12.1666 12.7049 12.8225 13.7776 13.8205 14.1584 14.1632 k = 0.5566-0.0986-1.1185 ( 2447 PWs) bands (ev): -50.5341 -50.5341 -26.4334 -26.4230 -24.0211 -24.0084 -23.8961 -23.8942 -2.3401 -2.3136 -2.1861 -2.1840 4.5470 4.5710 5.1245 5.1844 6.3844 6.3958 7.0546 7.1102 8.0595 8.1680 8.3169 8.4304 9.7838 9.9206 12.1296 12.1751 12.6738 12.7869 13.7957 13.8463 14.1739 14.1831 k = 0.5514-0.0782-1.1185 ( 2443 PWs) bands (ev): -50.5342 -50.5342 -26.4326 -26.4231 -24.0212 -24.0099 -23.8942 -23.8923 -2.3477 -2.3235 -2.1930 -2.1911 4.5178 4.5393 5.1355 5.1901 6.3771 6.3868 7.0767 7.1257 8.0799 8.1666 8.4262 8.5224 9.7676 9.9014 12.1332 12.1780 12.6486 12.7557 13.7952 13.8487 14.2120 14.2276 k = 0.5463-0.0578-1.1185 ( 2445 PWs) bands (ev): -50.5343 -50.5343 -26.4319 -26.4233 -24.0214 -24.0112 -23.8924 -23.8905 -2.3547 -2.3327 -2.1995 -2.1977 4.4913 4.5105 5.1456 5.1947 6.3700 6.3781 7.0996 7.1424 8.0870 8.1584 8.5378 8.6246 9.7494 9.8802 12.1328 12.1752 12.6297 12.7289 13.7822 13.8343 14.2689 14.2866 k = 0.5412-0.0374-1.1185 ( 2447 PWs) bands (ev): -50.5344 -50.5344 -26.4313 -26.4235 -24.0215 -24.0125 -23.8908 -23.8889 -2.3609 -2.3413 -2.2053 -2.2037 4.4675 4.4844 5.1547 5.1984 6.3633 6.3700 7.1229 7.1595 8.0869 8.1475 8.6474 8.7302 9.7288 9.8563 12.1289 12.1676 12.6168 12.7065 13.7629 13.8112 14.3354 14.3530 k = 0.5360-0.0170-1.1185 ( 2437 PWs) bands (ev): -50.5344 -50.5344 -26.4305 -26.4237 -24.0215 -24.0137 -23.8892 -23.8874 -2.3664 -2.3491 -2.2105 -2.2091 4.4466 4.4612 5.1629 5.2011 6.3571 6.3626 7.1458 7.1767 8.0833 8.1353 8.7537 8.8352 9.7054 9.8293 12.1223 12.1563 12.6091 12.6881 13.7414 13.7849 14.4052 14.4217 k = 0.5309 0.0035-1.1185 ( 2435 PWs) bands (ev): -50.5345 -50.5345 -26.4299 -26.4240 -24.0214 -24.0148 -23.8878 -23.8862 -2.3711 -2.3562 -2.2151 -2.2139 4.4284 4.4409 5.1703 5.2030 6.3514 6.3559 7.1678 7.1932 8.0780 8.1224 8.8557 8.9372 9.6789 9.7987 12.1140 12.1427 12.6056 12.6732 13.7204 13.7585 14.4739 14.4889 k = 0.5257 0.0239-1.1185 ( 2437 PWs) bands (ev): -50.5346 -50.5346 -26.4292 -26.4243 -24.0213 -24.0158 -23.8866 -23.8852 -2.3749 -2.3624 -2.2190 -2.2180 4.4132 4.4235 5.1768 5.2040 6.3465 6.3500 7.1881 7.2085 8.0723 8.1095 8.9524 9.0344 9.6490 9.7641 12.1049 12.1284 12.6052 12.6612 13.7015 13.7338 14.5384 14.5517 k = 0.5206 0.0443-1.1185 ( 2435 PWs) bands (ev): -50.5346 -50.5346 -26.4286 -26.4247 -24.0211 -24.0167 -23.8855 -23.8844 -2.3778 -2.3678 -2.2222 -2.2214 4.4008 4.4091 5.1826 5.2043 6.3424 6.3451 7.2061 7.2218 8.0672 8.0973 9.0431 9.1249 9.6162 9.7252 12.0962 12.1146 12.6070 12.6514 13.6855 13.7118 14.5961 14.6072 k = 0.5154 0.0647-1.1185 ( 2435 PWs) bands (ev): -50.5346 -50.5346 -26.4280 -26.4251 -24.0209 -24.0176 -23.8847 -23.8838 -2.3798 -2.3723 -2.2247 -2.2241 4.3914 4.3976 5.1876 5.2039 6.3392 6.3412 7.2213 7.2326 8.0634 8.0862 9.1265 9.2060 9.5820 9.6823 12.0888 12.1023 12.6102 12.6433 13.6733 13.6932 14.6444 14.6531 k = 0.5103 0.0851-1.1185 ( 2435 PWs) bands (ev): -50.5347 -50.5347 -26.4275 -26.4255 -24.0205 -24.0183 -23.8840 -23.8835 -2.3810 -2.3759 -2.2264 -2.2260 4.3850 4.3891 5.1920 5.2028 6.3369 6.3382 7.2330 7.2404 8.0614 8.0767 9.2011 9.2722 9.5511 9.6362 12.0836 12.0924 12.6144 12.6363 13.6653 13.6787 14.6812 14.6872 k = 0.5051 0.1055-1.1185 ( 2429 PWs) bands (ev): -50.5346 -50.5346 -26.4269 -26.4259 -24.0201 -24.0190 -23.8835 -23.8832 -2.3811 -2.3786 -2.2275 -2.2273 4.3815 4.3836 5.1956 5.2010 6.3357 6.3363 7.2409 7.2445 8.0616 8.0693 9.2635 9.3105 9.5357 9.5897 12.0810 12.0854 12.6192 12.6301 13.6617 13.6684 14.7047 14.7078 k = 0.5000 0.1260-1.1185 ( 2434 PWs) bands (ev): -50.5347 -50.5347 -26.4264 -26.4264 -24.0196 -24.0196 -23.8833 -23.8833 -2.3803 -2.3803 -2.2277 -2.2277 4.3810 4.3810 5.1987 5.1987 6.3355 6.3355 7.2447 7.2447 8.0642 8.0642 9.3053 9.3053 9.5508 9.5508 12.0816 12.0816 12.6244 12.6244 13.6628 13.6628 14.7138 14.7138 k = 0.5000 0.1260-1.1185 ( 2434 PWs) bands (ev): -50.5347 -50.5347 -26.4264 -26.4264 -24.0196 -24.0196 -23.8833 -23.8833 -2.3803 -2.3803 -2.2277 -2.2277 4.3810 4.3810 5.1987 5.1987 6.3355 6.3355 7.2447 7.2447 8.0642 8.0642 9.3053 9.3053 9.5508 9.5508 12.0816 12.0816 12.6244 12.6244 13.6628 13.6628 14.7138 14.7138 k = 0.5177 0.1304-1.1101 ( 2430 PWs) bands (ev): -50.5346 -50.5346 -26.4264 -26.4264 -24.0196 -24.0196 -23.8833 -23.8833 -2.3811 -2.3803 -2.2279 -2.2271 4.3803 4.3813 5.1979 5.2007 6.3330 6.3358 7.2445 7.2446 8.0651 8.0665 9.3049 9.3068 9.5497 9.5515 12.0815 12.0820 12.6245 12.6254 13.6622 13.6648 14.7119 14.7124 k = 0.5354 0.1349-1.1017 ( 2429 PWs) bands (ev): -50.5346 -50.5346 -26.4264 -26.4264 -24.0195 -24.0195 -23.8833 -23.8833 -2.3826 -2.3811 -2.2277 -2.2261 4.3792 4.3811 5.1985 5.2040 6.3285 6.3340 7.2439 7.2440 8.0692 8.0720 9.3055 9.3094 9.5481 9.5518 12.0817 12.0826 12.6258 12.6276 13.6632 13.6682 14.7069 14.7079 k = 0.5532 0.1394-1.0933 ( 2431 PWs) bands (ev): -50.5346 -50.5346 -26.4264 -26.4263 -24.0195 -24.0195 -23.8833 -23.8833 -2.3847 -2.3825 -2.2271 -2.2248 4.3776 4.3805 5.2004 5.2085 6.3220 6.3302 7.2430 7.2431 8.0763 8.0806 9.3070 9.3129 9.5460 9.5516 12.0822 12.0835 12.6281 12.6306 13.6658 13.6731 14.6987 14.7002 k = 0.5709 0.1438-1.0848 ( 2435 PWs) bands (ev): -50.5347 -50.5347 -26.4263 -26.4263 -24.0195 -24.0194 -23.8833 -23.8833 -2.3876 -2.3847 -2.2261 -2.2231 4.3757 4.3794 5.2035 5.2142 6.3135 6.3244 7.2416 7.2418 8.0865 8.0921 9.3095 9.3175 9.5435 9.5510 12.0829 12.0846 12.6313 12.6344 13.6702 13.6795 14.6876 14.6895 k = 0.5886 0.1483-1.0764 ( 2435 PWs) bands (ev): -50.5347 -50.5347 -26.4263 -26.4263 -24.0194 -24.0193 -23.8833 -23.8833 -2.3911 -2.3876 -2.2248 -2.2212 4.3735 4.3779 5.2079 5.2210 6.3034 6.3168 7.2400 7.2403 8.0995 8.1064 9.3128 9.3229 9.5405 9.5500 12.0839 12.0861 12.6352 12.6385 13.6764 13.6876 14.6736 14.6760 k = 0.6063 0.1527-1.0680 ( 2437 PWs) bands (ev): -50.5348 -50.5348 -26.4263 -26.4262 -24.0193 -24.0192 -23.8833 -23.8833 -2.3952 -2.3912 -2.2231 -2.2189 4.3711 4.3761 5.2135 5.2287 6.2917 6.3075 7.2381 7.2384 8.1151 8.1233 9.3168 9.3292 9.5369 9.5486 12.0852 12.0878 12.6393 12.6427 13.6848 13.6973 14.6571 14.6599 k = 0.6240 0.1572-1.0596 ( 2443 PWs) bands (ev): -50.5349 -50.5349 -26.4262 -26.4262 -24.0192 -24.0191 -23.8833 -23.8833 -2.3999 -2.3955 -2.2211 -2.2164 4.3686 4.3740 5.2201 5.2375 6.2787 6.2969 7.2359 7.2363 8.1332 8.1425 9.3214 9.3362 9.5329 9.5468 12.0868 12.0897 12.6434 12.6465 13.6955 13.7089 14.6382 14.6414 k = 0.6417 0.1617-1.0512 ( 2442 PWs) bands (ev): -50.5349 -50.5349 -26.4261 -26.4261 -24.0190 -24.0190 -23.8833 -23.8833 -2.4051 -2.4003 -2.2189 -2.2138 4.3659 4.3716 5.2278 5.2470 6.2647 6.2850 7.2335 7.2340 8.1534 8.1638 9.3264 9.3438 9.5284 9.5447 12.0886 12.0919 12.6471 12.6495 13.7085 13.7224 14.6172 14.6208 k = 0.6595 0.1661-1.0427 ( 2450 PWs) bands (ev): -50.5350 -50.5350 -26.4261 -26.4261 -24.0189 -24.0189 -23.8833 -23.8833 -2.4108 -2.4058 -2.2164 -2.2110 4.3633 4.3692 5.2364 5.2572 6.2498 6.2722 7.2310 7.2315 8.1755 8.1869 9.3317 9.3518 9.5234 9.5422 12.0908 12.0943 12.6500 12.6514 13.7241 13.7379 14.5945 14.5983 k = 0.6595 0.1661-1.0427 ( 2450 PWs) bands (ev): -50.5350 -50.5350 -26.4261 -26.4261 -24.0189 -24.0189 -23.8833 -23.8833 -2.4108 -2.4058 -2.2164 -2.2110 4.3633 4.3692 5.2364 5.2572 6.2498 6.2722 7.2310 7.2315 8.1755 8.1869 9.3317 9.3518 9.5234 9.5422 12.0908 12.0943 12.6500 12.6514 13.7241 13.7379 14.5945 14.5983 k = 0.6565 0.1654-1.0216 ( 2448 PWs) bands (ev): -50.5351 -50.5351 -26.4257 -26.4257 -24.0181 -24.0180 -23.8832 -23.8832 -2.4170 -2.4124 -2.2266 -2.2217 4.3800 4.3862 5.2452 5.2657 6.2581 6.2794 7.2366 7.2371 8.1697 8.1805 9.3252 9.3442 9.5195 9.5371 12.0918 12.0954 12.6626 12.6649 13.7008 13.7142 14.5918 14.5956 k = 0.6534 0.1646-1.0005 ( 2447 PWs) bands (ev): -50.5352 -50.5352 -26.4252 -26.4251 -24.0170 -24.0170 -23.8831 -23.8831 -2.4270 -2.4229 -2.2386 -2.2341 4.4017 4.4082 5.2584 5.2785 6.2673 6.2875 7.2441 7.2446 8.1652 8.1755 9.3160 9.3342 9.5113 9.5280 12.0932 12.0968 12.6733 12.6764 13.6761 13.6889 14.5881 14.5919 k = 0.6504 0.1639-0.9794 ( 2445 PWs) bands (ev): -50.5354 -50.5354 -26.4245 -26.4245 -24.0157 -24.0156 -23.8830 -23.8830 -2.4407 -2.4372 -2.2522 -2.2483 4.4282 4.4349 5.2757 5.2955 6.2773 6.2965 7.2535 7.2539 8.1622 8.1719 9.3041 9.3216 9.4992 9.5151 12.0951 12.0988 12.6823 12.6860 13.6498 13.6618 14.5832 14.5870 k = 0.6474 0.1631-0.9583 ( 2445 PWs) bands (ev): -50.5356 -50.5356 -26.4238 -26.4237 -24.0141 -24.0140 -23.8829 -23.8828 -2.4581 -2.4551 -2.2674 -2.2640 4.4594 4.4664 5.2971 5.3166 6.2879 6.3062 7.2648 7.2652 8.1606 8.1698 9.2896 9.3066 9.4836 9.4988 12.0976 12.1013 12.6897 12.6940 13.6217 13.6328 14.5772 14.5810 k = 0.6444 0.1624-0.9372 ( 2445 PWs) bands (ev): -50.5359 -50.5359 -26.4229 -26.4228 -24.0122 -24.0121 -23.8827 -23.8827 -2.4789 -2.4765 -2.2841 -2.2813 4.4952 4.5024 5.3224 5.3416 6.2991 6.3165 7.2779 7.2783 8.1606 8.1693 9.2726 9.2891 9.4649 9.4795 12.1009 12.1046 12.6957 12.7004 13.5916 13.6018 14.5700 14.5738 k = 0.6414 0.1616-0.9161 ( 2445 PWs) bands (ev): -50.5362 -50.5362 -26.4218 -26.4217 -24.0102 -24.0100 -23.8825 -23.8824 -2.5032 -2.5012 -2.3023 -2.3000 4.5352 4.5426 5.3516 5.3705 6.3106 6.3272 7.2930 7.2933 8.1621 8.1704 9.2531 9.2693 9.4437 9.4578 12.1050 12.1087 12.7005 12.7055 13.5596 13.5688 14.5617 14.5655 k = 0.6384 0.1608-0.8950 ( 2446 PWs) bands (ev): -50.5366 -50.5366 -26.4207 -26.4206 -24.0078 -24.0077 -23.8822 -23.8822 -2.5306 -2.5291 -2.3219 -2.3200 4.5794 4.5870 5.3843 5.4029 6.3222 6.3380 7.3098 7.3102 8.1652 8.1731 9.2313 9.2471 9.4207 9.4342 12.1101 12.1139 12.7043 12.7095 13.5254 13.5337 14.5522 14.5560 k = 0.6354 0.1601-0.8739 ( 2450 PWs) bands (ev): -50.5370 -50.5370 -26.4195 -26.4193 -24.0053 -24.0051 -23.8819 -23.8819 -2.5611 -2.5600 -2.3427 -2.3413 4.6275 4.6352 5.4205 5.4388 6.3336 6.3486 7.3285 7.3288 8.1701 8.1775 9.2074 9.2228 9.3965 9.4095 12.1163 12.1202 12.7073 12.7127 13.4891 13.4965 14.5414 14.5453 k = 0.6324 0.1593-0.8528 ( 2442 PWs) bands (ev): -50.5373 -50.5373 -26.4181 -26.4179 -24.0025 -24.0023 -23.8816 -23.8815 -2.5944 -2.5936 -2.3647 -2.3637 4.6791 4.6869 5.4598 5.4780 6.3447 6.3589 7.3491 7.3493 8.1767 8.1837 9.1814 9.1965 9.3719 9.3843 12.1238 12.1277 12.7096 12.7152 13.4506 13.4572 14.5293 14.5333 k = 0.6294 0.1586-0.8317 ( 2446 PWs) bands (ev): -50.5378 -50.5378 -26.4166 -26.4165 -23.9995 -23.9993 -23.8812 -23.8812 -2.6302 -2.6298 -2.3879 -2.3871 4.7339 4.7419 5.5023 5.5201 6.3549 6.3685 7.3713 7.3715 8.1851 8.1917 9.1536 9.1682 9.3477 9.3594 12.1327 12.1367 12.7114 12.7172 13.4100 13.4160 14.5160 14.5200 k = 0.6264 0.1578-0.8106 ( 2446 PWs) bands (ev): -50.5383 -50.5383 -26.4150 -26.4149 -23.9964 -23.9961 -23.8808 -23.8807 -2.6685 -2.6683 -2.4120 -2.4115 4.7917 4.7997 5.5475 5.5651 6.3642 6.3770 7.3954 7.3955 8.1954 8.2016 9.1242 9.1382 9.3246 9.3356 12.1431 12.1472 12.7128 12.7187 13.3675 13.3730 14.5013 14.5054 k = 0.6234 0.1570-0.7895 ( 2444 PWs) bands (ev): -50.5387 -50.5387 -26.4134 -26.4132 -23.9930 -23.9928 -23.8802 -23.8802 -2.7089 -2.7088 -2.4371 -2.4368 4.8521 4.8601 5.5952 5.6126 6.3721 6.3842 7.4211 7.4212 8.2076 8.2134 9.0933 9.1066 9.3036 9.3138 12.1552 12.1594 12.7140 12.7201 13.3233 13.3284 14.4852 14.4894 k = 0.6203 0.1563-0.7684 ( 2446 PWs) bands (ev): -50.5393 -50.5393 -26.4116 -26.4115 -23.9896 -23.9893 -23.8797 -23.8796 -2.7513 -2.7511 -2.4630 -2.4628 4.9146 4.9227 5.6453 5.6624 6.3785 6.3898 7.4485 7.4485 8.2217 8.2271 9.0610 9.0735 9.2854 9.2946 12.1690 12.1733 12.7149 12.7213 13.2775 13.2824 14.4677 14.4719 k = 0.6173 0.1555-0.7473 ( 2443 PWs) bands (ev): -50.5398 -50.5398 -26.4098 -26.4096 -23.9860 -23.9857 -23.8790 -23.8789 -2.7954 -2.7951 -2.4896 -2.4895 4.9790 4.9870 5.6974 5.7143 6.3830 6.3937 7.4775 7.4776 8.2378 8.2428 9.0273 9.0390 9.2709 9.2791 12.1847 12.1890 12.7158 12.7225 13.2304 13.2352 14.4488 14.4531 k = 0.6143 0.1548-0.7262 ( 2447 PWs) bands (ev): -50.5404 -50.5404 -26.4079 -26.4077 -23.9823 -23.9820 -23.8783 -23.8782 -2.8409 -2.8405 -2.5168 -2.5167 5.0446 5.0526 5.7514 5.7680 6.3856 6.3956 7.5081 7.5082 8.2558 8.2605 8.9922 9.0031 9.2608 9.2680 12.2022 12.2066 12.7166 12.7237 13.1824 13.1873 14.4284 14.4327 k = 0.6113 0.1540-0.7051 ( 2447 PWs) bands (ev): -50.5410 -50.5410 -26.4059 -26.4058 -23.9785 -23.9781 -23.8774 -23.8773 -2.8877 -2.8872 -2.5446 -2.5444 5.1110 5.1190 5.8070 5.8232 6.3863 6.3956 7.5402 7.5404 8.2758 8.2802 8.9559 8.9660 9.2558 9.2620 12.2216 12.2262 12.7175 12.7250 13.1338 13.1389 14.4065 14.4109 k = 0.6083 0.1533-0.6840 ( 2449 PWs) bands (ev): -50.5417 -50.5417 -26.4039 -26.4037 -23.9746 -23.9743 -23.8765 -23.8764 -2.9354 -2.9348 -2.5728 -2.5725 5.1776 5.1854 5.8638 5.8797 6.3853 6.3939 7.5738 7.5741 8.2977 8.3018 8.9183 8.9277 9.2566 9.2618 12.2430 12.2476 12.7183 12.7265 13.0849 13.0905 14.3830 14.3875 k = 0.6053 0.1525-0.6629 ( 2449 PWs) bands (ev): -50.5423 -50.5423 -26.4018 -26.4016 -23.9707 -23.9704 -23.8754 -23.8753 -2.9839 -2.9833 -2.6012 -2.6009 5.2436 5.2513 5.9218 5.9372 6.3828 6.3907 7.6089 7.6092 8.3214 8.3253 8.8797 8.8885 9.2634 9.2677 12.2663 12.2711 12.7191 12.7282 13.0363 13.0425 14.3580 14.3625 k = 0.6023 0.1517-0.6417 ( 2443 PWs) bands (ev): -50.5429 -50.5429 -26.3997 -26.3995 -23.9668 -23.9664 -23.8741 -23.8740 -3.0330 -3.0324 -2.6298 -2.6295 5.3083 5.3158 5.9806 5.9953 6.3796 6.3867 7.6453 7.6457 8.3466 8.3504 8.8403 8.8486 9.2766 9.2801 12.2915 12.2964 12.7199 12.7300 12.9883 12.9954 14.3314 14.3361 k = 0.5993 0.1510-0.6206 ( 2441 PWs) bands (ev): -50.5435 -50.5435 -26.3975 -26.3973 -23.9629 -23.9625 -23.8728 -23.8726 -3.0825 -3.0819 -2.6586 -2.6583 5.3706 5.3778 6.0400 6.0539 6.3765 6.3827 7.6831 7.6835 8.3732 8.3768 8.8005 8.8084 9.2961 9.2989 12.3186 12.3236 12.7203 12.7319 12.9416 12.9501 14.3033 14.3080 k = 0.5963 0.1502-0.5995 ( 2433 PWs) bands (ev): -50.5441 -50.5441 -26.3953 -26.3951 -23.9590 -23.9586 -23.8712 -23.8711 -3.1323 -3.1316 -2.6873 -2.6870 5.4292 5.4360 6.0998 6.1124 6.3748 6.3798 7.7221 7.7226 8.4005 8.4042 8.7608 8.7686 9.3220 9.3242 12.3475 12.3527 12.7200 12.7335 12.8970 12.9073 14.2736 14.2784 k = 0.5933 0.1495-0.5784 ( 2431 PWs) bands (ev): -50.5447 -50.5447 -26.3930 -26.3928 -23.9553 -23.9549 -23.8695 -23.8693 -3.1821 -3.1814 -2.7160 -2.7157 5.4827 5.4889 6.1599 6.1705 6.3764 6.3796 7.7623 7.7628 8.4274 8.4313 8.7223 8.7301 9.3540 9.3556 12.3782 12.3835 12.7179 12.7341 12.8558 12.8688 14.2423 14.2472 k = 0.5903 0.1487-0.5573 ( 2433 PWs) bands (ev): -50.5455 -50.5455 -26.3908 -26.3906 -23.9517 -23.9513 -23.8675 -23.8674 -3.2317 -3.2311 -2.7446 -2.7443 5.5293 5.5349 6.2200 6.2274 6.3834 6.3838 7.8036 7.8041 8.4522 8.4564 8.6869 8.6950 9.3918 9.3929 12.4104 12.4159 12.7123 12.7313 12.8211 12.8368 14.2095 14.2146 k = 0.5873 0.1479-0.5362 ( 2428 PWs) bands (ev): -50.5461 -50.5461 -26.3885 -26.3883 -23.9482 -23.9478 -23.8654 -23.8653 -3.2812 -3.2805 -2.7729 -2.7726 5.5674 5.5723 6.2801 6.2819 6.3941 6.3989 7.8459 7.8463 8.4709 8.4753 8.6587 8.6669 9.4351 9.4357 12.4441 12.4498 12.7008 12.7201 12.7983 12.8145 14.1753 14.1805 k = 0.5842 0.1472-0.5151 ( 2430 PWs) bands (ev): -50.5468 -50.5468 -26.3863 -26.3861 -23.9449 -23.9445 -23.8631 -23.8629 -3.3302 -3.3296 -2.8009 -2.8006 5.5954 5.5996 6.3326 6.3401 6.4122 6.4257 7.8891 7.8895 8.4768 8.4808 8.6446 8.6523 9.4832 9.4835 12.4789 12.4850 12.6826 12.6984 12.7904 12.8032 14.1396 14.1449 k = 0.5812 0.1464-0.4940 ( 2430 PWs) bands (ev): -50.5475 -50.5475 -26.3840 -26.3838 -23.9418 -23.9414 -23.8605 -23.8604 -3.3786 -3.3780 -2.8285 -2.8283 5.6126 5.6161 6.3792 6.3999 6.4389 6.4650 7.9332 7.9333 8.4651 8.4675 8.6499 8.6561 9.5358 9.5359 12.5143 12.5210 12.6607 12.6720 12.7924 12.8010 14.1025 14.1080 k = 0.5782 0.1457-0.4729 ( 2429 PWs) bands (ev): -50.5482 -50.5482 -26.3818 -26.3816 -23.9389 -23.9384 -23.8577 -23.8576 -3.4264 -3.4258 -2.8557 -2.8554 5.6189 5.6217 6.4245 6.4586 6.4752 6.5140 7.9778 7.9779 8.4392 8.4399 8.6700 8.6747 9.5920 9.5923 12.5490 12.5567 12.6398 12.6470 12.7996 12.8049 14.0642 14.0698 k = 0.5752 0.1449-0.4518 ( 2425 PWs) bands (ev): -50.5489 -50.5489 -26.3796 -26.3794 -23.9361 -23.9357 -23.8547 -23.8546 -3.4733 -3.4727 -2.8823 -2.8821 5.6153 5.6175 6.4718 6.5104 6.5260 6.5689 8.0228 8.0232 8.4050 8.4057 8.6975 8.7011 9.6515 9.6520 12.5766 12.5865 12.6288 12.6315 12.8102 12.8131 14.0247 14.0305 k = 0.5722 0.1442-0.4307 ( 2423 PWs) bands (ev): -50.5495 -50.5495 -26.3774 -26.3772 -23.9336 -23.9332 -23.8516 -23.8514 -3.5192 -3.5187 -2.9084 -2.9082 5.6030 5.6049 6.5223 6.5588 6.5865 6.6270 8.0679 8.0689 8.3671 8.3690 8.7280 8.7309 9.7136 9.7144 12.5798 12.5884 12.6459 12.6483 12.8237 12.8247 13.9841 13.9901 k = 0.5692 0.1434-0.4096 ( 2427 PWs) bands (ev): -50.5503 -50.5503 -26.3753 -26.3751 -23.9314 -23.9310 -23.8482 -23.8481 -3.5642 -3.5636 -2.9338 -2.9336 5.5838 5.5853 6.5755 6.6092 6.6500 6.6873 8.1126 8.1147 8.3281 8.3314 8.7592 8.7617 9.7779 9.7787 12.5706 12.5766 12.6799 12.6835 12.8396 12.8401 13.9426 13.9488 k = 0.5662 0.1426-0.3885 ( 2421 PWs) bands (ev): -50.5509 -50.5509 -26.3731 -26.3730 -23.9293 -23.9289 -23.8448 -23.8447 -3.6079 -3.6074 -2.9585 -2.9583 5.5593 5.5605 6.6302 6.6608 6.7156 6.7495 8.1558 8.1601 8.2896 8.2953 8.7899 8.7920 9.8435 9.8445 12.5628 12.5671 12.7170 12.7211 12.8578 12.8598 13.9003 13.9068 k = 0.5632 0.1419-0.3674 ( 2419 PWs) bands (ev): -50.5515 -50.5515 -26.3711 -26.3709 -23.9274 -23.9270 -23.8412 -23.8411 -3.6504 -3.6499 -2.9825 -2.9823 5.5308 5.5318 6.6854 6.7125 6.7832 6.8135 8.1910 8.2018 8.2550 8.2674 8.8191 8.8210 9.9100 9.9110 12.5593 12.5624 12.7543 12.7585 12.8796 12.8830 13.8574 13.8642 k = 0.5602 0.1411-0.3463 ( 2423 PWs) bands (ev): -50.5522 -50.5522 -26.3691 -26.3689 -23.9257 -23.9254 -23.8375 -23.8374 -3.6915 -3.6910 -3.0056 -3.0055 5.4995 5.5004 6.7400 6.7636 6.8523 6.8789 8.1919 8.2025 8.2621 8.2744 8.8462 8.8480 9.9766 9.9776 12.5611 12.5631 12.7906 12.7947 12.9054 12.9101 13.8140 13.8212 k = 0.5572 0.1404-0.3252 ( 2427 PWs) bands (ev): -50.5529 -50.5529 -26.3672 -26.3670 -23.9243 -23.9239 -23.8338 -23.8337 -3.7311 -3.7307 -3.0279 -3.0278 5.4665 5.4672 6.7934 6.8137 6.9224 6.9456 8.1634 8.1687 8.3043 8.3112 8.8709 8.8725 10.0429 10.0439 12.5685 12.5696 12.8254 12.8294 12.9351 12.9412 13.7705 13.7781 k = 0.5542 0.1396-0.3041 ( 2429 PWs) bands (ev): -50.5535 -50.5535 -26.3653 -26.3651 -23.9229 -23.9226 -23.8301 -23.8300 -3.7692 -3.7688 -3.0493 -3.0492 5.4324 5.4330 6.8453 6.8626 6.9929 7.0130 8.1299 8.1331 8.3488 8.3537 8.8926 8.8942 10.1082 10.1091 12.5816 12.5819 12.8588 12.8626 12.9685 12.9759 13.7270 13.7350 k = 0.5511 0.1389-0.2830 ( 2429 PWs) bands (ev): -50.5541 -50.5541 -26.3635 -26.3633 -23.9217 -23.9214 -23.8263 -23.8263 -3.8057 -3.8053 -3.0698 -3.0697 5.3979 5.3984 6.8954 6.9102 7.0632 7.0806 8.0961 8.0984 8.3931 8.3971 8.9112 8.9127 10.1720 10.1728 12.6000 12.6004 12.8912 12.8948 13.0049 13.0135 13.6838 13.6924 k = 0.5481 0.1381-0.2619 ( 2425 PWs) bands (ev): -50.5546 -50.5546 -26.3617 -26.3616 -23.9206 -23.9203 -23.8227 -23.8226 -3.8404 -3.8401 -3.0893 -3.0892 5.3636 5.3641 6.9437 6.9563 7.1327 7.1478 8.0632 8.0650 8.4366 8.4400 8.9266 8.9281 10.2338 10.2345 12.6236 12.6246 12.9231 12.9267 13.0432 13.0530 13.6412 13.6505 k = 0.5451 0.1373-0.2408 ( 2425 PWs) bands (ev): -50.5552 -50.5552 -26.3601 -26.3599 -23.9196 -23.9194 -23.8191 -23.8190 -3.8734 -3.8731 -3.1078 -3.1077 5.3299 5.3303 6.9901 7.0010 7.2009 7.2142 8.0316 8.0331 8.4789 8.4819 8.9388 8.9402 10.2931 10.2938 12.6523 12.6539 12.9551 12.9586 13.0826 13.0937 13.5995 13.6097 k = 0.5421 0.1366-0.2197 ( 2423 PWs) bands (ev): -50.5556 -50.5556 -26.3585 -26.3583 -23.9188 -23.9185 -23.8156 -23.8155 -3.9046 -3.9043 -3.1252 -3.1252 5.2971 5.2975 7.0346 7.0440 7.2674 7.2791 8.0016 8.0028 8.5197 8.5225 8.9480 8.9493 10.3496 10.3501 12.6855 12.6876 12.9873 12.9907 13.1223 13.1348 13.5590 13.5703 k = 0.5391 0.1358-0.1986 ( 2418 PWs) bands (ev): -50.5561 -50.5561 -26.3570 -26.3568 -23.9180 -23.9177 -23.8122 -23.8121 -3.9339 -3.9336 -3.1416 -3.1415 5.2656 5.2659 7.0771 7.0853 7.3317 7.3420 7.9734 7.9744 8.5587 8.5613 8.9543 8.9555 10.4029 10.4033 12.7227 12.7250 13.0198 13.0231 13.1616 13.1757 13.5204 13.5331 k = 0.5361 0.1351-0.1774 ( 2422 PWs) bands (ev): -50.5566 -50.5566 -26.3556 -26.3555 -23.9173 -23.9171 -23.8090 -23.8090 -3.9612 -3.9609 -3.1569 -3.1568 5.2356 5.2359 7.1176 7.1247 7.3933 7.4025 7.9470 7.9479 8.5954 8.5979 8.9582 8.9593 10.4527 10.4530 12.7628 12.7653 13.0525 13.0556 13.1998 13.2159 13.4839 13.4985 k = 0.5331 0.1343-0.1563 ( 2418 PWs) bands (ev): -50.5569 -50.5569 -26.3543 -26.3542 -23.9167 -23.9165 -23.8059 -23.8059 -3.9865 -3.9863 -3.1710 -3.1709 5.2074 5.2076 7.1559 7.1621 7.4519 7.4600 7.9225 7.9233 8.6296 8.6319 8.9601 8.9611 10.4989 10.4991 12.8048 12.8074 13.0850 13.0879 13.2360 13.2548 13.4504 13.4678 k = 0.5301 0.1335-0.1352 ( 2418 PWs) bands (ev): -50.5573 -50.5573 -26.3531 -26.3530 -23.9162 -23.9160 -23.8031 -23.8031 -4.0098 -4.0096 -3.1840 -3.1839 5.1811 5.1813 7.1919 7.1973 7.5070 7.5143 7.9002 7.9009 8.6608 8.6630 8.9606 8.9615 10.5411 10.5412 12.8476 12.8499 13.1171 13.1196 13.2687 13.2914 13.4211 13.4424 k = 0.5271 0.1328-0.1141 ( 2414 PWs) bands (ev): -50.5576 -50.5576 -26.3520 -26.3519 -23.9157 -23.9155 -23.8004 -23.8004 -4.0310 -4.0308 -3.1958 -3.1957 5.1569 5.1571 7.2253 7.2301 7.5583 7.5647 7.8799 7.8806 8.6885 8.6907 8.9603 8.9611 10.5793 10.5793 12.8897 12.8917 13.1480 13.1502 13.2953 13.3227 13.3991 13.4254 k = 0.5241 0.1320-0.0930 ( 2411 PWs) bands (ev): -50.5579 -50.5579 -26.3510 -26.3509 -23.9153 -23.9152 -23.7980 -23.7980 -4.0500 -4.0498 -3.2064 -3.2063 5.1349 5.1351 7.2561 7.2602 7.6053 7.6109 7.8619 7.8625 8.7124 8.7145 8.9599 8.9605 10.6134 10.6134 12.9297 12.9309 13.1775 13.1791 13.3117 13.3386 13.3951 13.4210 k = 0.5211 0.1313-0.0719 ( 2409 PWs) bands (ev): -50.5582 -50.5582 -26.3501 -26.3500 -23.9149 -23.9148 -23.7959 -23.7959 -4.0669 -4.0668 -3.2158 -3.2157 5.1153 5.1154 7.2839 7.2874 7.6477 7.6526 7.8461 7.8467 8.7322 8.7342 8.9599 8.9604 10.6434 10.6435 12.9657 12.9661 13.2048 13.2059 13.3170 13.3338 13.4144 13.4308 k = 0.5181 0.1305-0.0508 ( 2411 PWs) bands (ev): -50.5585 -50.5585 -26.3494 -26.3493 -23.9146 -23.9145 -23.7940 -23.7940 -4.0816 -4.0815 -3.2240 -3.2239 5.0981 5.0982 7.3086 7.3116 7.6852 7.6893 7.8326 7.8332 8.7477 8.7496 8.9608 8.9611 10.6693 10.6694 12.9958 12.9962 13.2297 13.2303 13.3166 13.3253 13.4404 13.4491 k = 0.5150 0.1298-0.0297 ( 2413 PWs) bands (ev): -50.5587 -50.5587 -26.3487 -26.3487 -23.9144 -23.9143 -23.7924 -23.7924 -4.0941 -4.0940 -3.2309 -3.2309 5.0834 5.0835 7.3299 7.3324 7.7173 7.7206 7.8215 7.8222 8.7592 8.7609 8.9626 8.9628 10.6912 10.6912 13.0188 13.0200 13.2518 13.2519 13.3161 13.3202 13.4653 13.4697 k = 0.5120 0.1290-0.0086 ( 2407 PWs) bands (ev): -50.5588 -50.5588 -26.3482 -26.3481 -23.9142 -23.9141 -23.7910 -23.7910 -4.1043 -4.1042 -3.2366 -3.2366 5.0713 5.0713 7.3477 7.3497 7.7437 7.7460 7.8130 7.8138 8.7671 8.7685 8.9652 8.9653 10.7090 10.7090 13.0352 13.0367 13.2707 13.2712 13.3174 13.3190 13.4871 13.4892 k = 0.5090 0.1282 0.0125 ( 2401 PWs) bands (ev): -50.5589 -50.5589 -26.3477 -26.3477 -23.9140 -23.9140 -23.7900 -23.7900 -4.1123 -4.1122 -3.2410 -3.2410 5.0618 5.0618 7.3617 7.3632 7.7635 7.7649 7.8074 7.8084 8.7721 8.7732 8.9680 8.9681 10.7228 10.7228 13.0457 13.0473 13.2868 13.2875 13.3199 13.3204 13.5049 13.5058 k = 0.5060 0.1275 0.0336 ( 2399 PWs) bands (ev): -50.5590 -50.5590 -26.3474 -26.3474 -23.9139 -23.9139 -23.7892 -23.7892 -4.1180 -4.1180 -3.2442 -3.2442 5.0550 5.0550 7.3720 7.3729 7.7759 7.7764 7.8055 7.8066 8.7750 8.7758 8.9706 8.9706 10.7326 10.7326 13.0519 13.0531 13.3000 13.3007 13.3220 13.3220 13.5181 13.5183 k = 0.5030 0.1267 0.0547 ( 2398 PWs) bands (ev): -50.5590 -50.5590 -26.3472 -26.3472 -23.9138 -23.9138 -23.7888 -23.7888 -4.1214 -4.1214 -3.2461 -3.2461 5.0509 5.0509 7.3782 7.3787 7.7811 7.7812 7.8068 7.8076 8.7766 8.7770 8.9724 8.9724 10.7385 10.7385 13.0550 13.0557 13.3096 13.3101 13.3225 13.3225 13.5261 13.5261 k = 0.5000 0.1260 0.0758 ( 2398 PWs) bands (ev): -50.5590 -50.5590 -26.3472 -26.3472 -23.9138 -23.9138 -23.7886 -23.7886 -4.1226 -4.1226 -3.2467 -3.2467 5.0496 5.0496 7.3805 7.3805 7.7822 7.7822 7.8082 7.8082 8.7772 8.7772 8.9730 8.9730 10.7404 10.7404 13.0562 13.0562 13.3139 13.3139 13.3219 13.3219 13.5288 13.5288 k = 0.5000-0.9293-0.5593 ( 2444 PWs) bands (ev): -50.5348 -50.5348 -26.4265 -26.4265 -24.0196 -24.0196 -23.8834 -23.8834 -2.4643 -2.4643 -2.1302 -2.1302 4.2578 4.2578 5.3604 5.3604 6.0325 6.0325 7.1720 7.1720 8.6102 8.6102 9.3603 9.3603 9.5365 9.5365 12.1261 12.1261 12.4932 12.4932 14.1699 14.1699 14.2651 14.2651 k = 0.5188-0.9219-0.5548 ( 2446 PWs) bands (ev): -50.5348 -50.5348 -26.4265 -26.4265 -24.0196 -24.0196 -23.8834 -23.8834 -2.4643 -2.4637 -2.1309 -2.1302 4.2582 4.2585 5.3581 5.3616 6.0315 6.0357 7.1722 7.1723 8.6065 8.6089 9.3587 9.3637 9.5339 9.5379 12.1257 12.1263 12.4936 12.4951 14.1678 14.1681 14.2665 14.2670 k = 0.5375-0.9145-0.5504 ( 2448 PWs) bands (ev): -50.5349 -50.5349 -26.4265 -26.4265 -24.0196 -24.0196 -23.8834 -23.8834 -2.4639 -2.4627 -2.1323 -2.1310 4.2595 4.2601 5.3546 5.3616 6.0326 6.0408 7.1730 7.1732 8.5979 8.6026 9.3588 9.3688 9.5301 9.5383 12.1248 12.1260 12.4962 12.4992 14.1619 14.1625 14.2711 14.2720 k = 0.5563-0.9071-0.5459 ( 2446 PWs) bands (ev): -50.5348 -50.5348 -26.4265 -26.4264 -24.0196 -24.0196 -23.8834 -23.8834 -2.4629 -2.4612 -2.1344 -2.1324 4.2617 4.2627 5.3501 5.3605 6.0357 6.0479 7.1743 7.1746 8.5846 8.5915 9.3604 9.3755 9.5253 9.5378 12.1236 12.1254 12.5009 12.5053 14.1520 14.1530 14.2789 14.2803 k = 0.5750-0.8997-0.5414 ( 2442 PWs) bands (ev): -50.5348 -50.5348 -26.4264 -26.4264 -24.0196 -24.0196 -23.8833 -23.8833 -2.4615 -2.4592 -2.1372 -2.1346 4.2649 4.2663 5.3446 5.3581 6.0411 6.0569 7.1762 7.1766 8.5670 8.5759 9.3631 9.3834 9.5194 9.5365 12.1221 12.1244 12.5076 12.5132 14.1379 14.1394 14.2897 14.2917 k = 0.5938-0.8923-0.5370 ( 2448 PWs) bands (ev): -50.5349 -50.5349 -26.4264 -26.4264 -24.0196 -24.0196 -23.8834 -23.8834 -2.4596 -2.4568 -2.1407 -2.1375 4.2690 4.2707 5.3383 5.3546 6.0485 6.0676 7.1785 7.1791 8.5456 8.5562 9.3665 9.3921 9.5126 9.5348 12.1203 12.1231 12.5162 12.5229 14.1197 14.1217 14.3036 14.3060 k = 0.6126-0.8849-0.5325 ( 2446 PWs) bands (ev): -50.5349 -50.5349 -26.4264 -26.4264 -24.0195 -24.0195 -23.8834 -23.8834 -2.4573 -2.4540 -2.1448 -2.1410 4.2740 4.2761 5.3312 5.3499 6.0579 6.0799 7.1814 7.1820 8.5209 8.5329 9.3699 9.4011 9.5052 9.5328 12.1183 12.1215 12.5264 12.5339 14.0973 14.0999 14.3202 14.3232 k = 0.6313-0.8775-0.5281 ( 2449 PWs) bands (ev): -50.5349 -50.5349 -26.4264 -26.4264 -24.0195 -24.0195 -23.8834 -23.8834 -2.4545 -2.4507 -2.1495 -2.1452 4.2798 4.2822 5.3234 5.3442 6.0692 6.0938 7.1847 7.1854 8.4935 8.5066 9.3729 9.4098 9.4978 9.5309 12.1160 12.1196 12.5380 12.5460 14.0708 14.0743 14.3393 14.3428 k = 0.6501-0.8701-0.5236 ( 2449 PWs) bands (ev): -50.5349 -50.5349 -26.4264 -26.4264 -24.0195 -24.0195 -23.8833 -23.8833 -2.4512 -2.4470 -2.1548 -2.1500 4.2863 4.2891 5.3150 5.3376 6.0824 6.1089 7.1884 7.1892 8.4637 8.4778 9.3750 9.4170 9.4910 9.5293 12.1136 12.1175 12.5506 12.5588 14.0406 14.0452 14.3607 14.3646 k = 0.6688-0.8627-0.5191 ( 2450 PWs) bands (ev): -50.5349 -50.5349 -26.4264 -26.4264 -24.0195 -24.0194 -23.8834 -23.8833 -2.4476 -2.4430 -2.1606 -2.1554 4.2934 4.2967 5.3062 5.3301 6.0972 6.1253 7.1925 7.1933 8.4323 8.4470 9.3756 9.4215 9.4862 9.5285 12.1110 12.1152 12.5639 12.5721 14.0073 14.0130 14.3841 14.3882 k = 0.6876-0.8552-0.5147 ( 2449 PWs) bands (ev): -50.5349 -50.5349 -26.4264 -26.4263 -24.0194 -24.0194 -23.8833 -23.8833 -2.4437 -2.4387 -2.1668 -2.1613 4.3012 4.3049 5.2970 5.3220 6.1135 6.1427 7.1969 7.1977 8.3995 8.4147 9.3746 9.4216 9.4848 9.5286 12.1083 12.1127 12.5775 12.5853 13.9716 13.9785 14.4090 14.4134 k = 0.7064-0.8478-0.5102 ( 2451 PWs) bands (ev): -50.5349 -50.5349 -26.4263 -26.4263 -24.0194 -24.0193 -23.8834 -23.8833 -2.4394 -2.4341 -2.1735 -2.1676 4.3095 4.3136 5.2877 5.3132 6.1311 6.1608 7.2015 7.2023 8.3661 8.3814 9.3719 9.4170 9.4873 9.5295 12.1056 12.1101 12.5911 12.5982 13.9342 13.9424 14.4351 14.4397 k = 0.7251-0.8404-0.5058 ( 2449 PWs) bands (ev): -50.5349 -50.5349 -26.4263 -26.4263 -24.0193 -24.0193 -23.8833 -23.8833 -2.4349 -2.4294 -2.1804 -2.1744 4.3181 4.3226 5.2783 5.3039 6.1498 6.1795 7.2064 7.2071 8.3323 8.3475 9.3676 9.4088 9.4925 9.5311 12.1030 12.1074 12.6042 12.6103 13.8960 13.9054 14.4620 14.4667 k = 0.7439-0.8330-0.5013 ( 2444 PWs) bands (ev): -50.5349 -50.5349 -26.4262 -26.4262 -24.0192 -24.0192 -23.8833 -23.8833 -2.4301 -2.4245 -2.1876 -2.1814 4.3271 4.3320 5.2691 5.2944 6.1693 6.1986 7.2113 7.2121 8.2987 8.3137 9.3618 9.3986 9.4989 9.5333 12.1003 12.1047 12.6166 12.6214 13.8579 13.8686 14.4894 14.4940 k = 0.7626-0.8256-0.4968 ( 2446 PWs) bands (ev): -50.5349 -50.5349 -26.4262 -26.4262 -24.0191 -24.0191 -23.8833 -23.8833 -2.4252 -2.4196 -2.1950 -2.1887 4.3362 4.3414 5.2601 5.2848 6.1894 6.2177 7.2163 7.2170 8.2658 8.2802 9.3550 9.3872 9.5057 9.5358 12.0977 12.1020 12.6277 12.6312 13.8210 13.8327 14.5167 14.5213 k = 0.7814-0.8182-0.4924 ( 2445 PWs) bands (ev): -50.5349 -50.5349 -26.4262 -26.4261 -24.0191 -24.0190 -23.8833 -23.8833 -2.4203 -2.4147 -2.2023 -2.1962 4.3454 4.3509 5.2515 5.2753 6.2097 6.2365 7.2213 7.2220 8.2339 8.2476 9.3475 9.3753 9.5122 9.5383 12.0953 12.0993 12.6374 12.6393 13.7858 13.7985 14.5436 14.5480 k = 0.8002-0.8108-0.4879 ( 2445 PWs) bands (ev): -50.5349 -50.5349 -26.4261 -26.4261 -24.0190 -24.0189 -23.8833 -23.8833 -2.4155 -2.4101 -2.2095 -2.2036 4.3545 4.3602 5.2436 5.2660 6.2300 6.2548 7.2262 7.2268 8.2037 8.2164 9.3396 9.3634 9.5182 9.5405 12.0929 12.0968 12.6454 12.6456 13.7533 13.7667 14.5697 14.5738 k = 0.8189-0.8034-0.4835 ( 2450 PWs) bands (ev): -50.5350 -50.5350 -26.4261 -26.4261 -24.0189 -24.0189 -23.8833 -23.8833 -2.4108 -2.4058 -2.2164 -2.2110 4.3633 4.3692 5.2364 5.2572 6.2498 6.2722 7.2310 7.2315 8.1755 8.1869 9.3317 9.3518 9.5234 9.5422 12.0908 12.0943 12.6500 12.6514 13.7241 13.7379 14.5945 14.5983 Writing output data file MoSe2.save init_run : 0.43s CPU 0.68s WALL ( 1 calls) electrons : 164.63s CPU 166.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.05s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 164.62s CPU 166.38s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.03s WALL ( 1 calls) newd : 0.05s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 361 calls) cegterg : 150.55s CPU 151.90s WALL ( 361 calls) Called by sum_band: Called by *egterg: h_psi : 130.91s CPU 134.26s WALL ( 5813 calls) s_psi : 2.34s CPU 2.53s WALL ( 5813 calls) g_psi : 0.06s CPU 0.13s WALL ( 5091 calls) cdiaghg : 21.66s CPU 19.80s WALL ( 5452 calls) cegterg:over : 3.46s CPU 3.45s WALL ( 5091 calls) cegterg:upda : 0.49s CPU 1.38s WALL ( 5091 calls) cegterg:last : 0.61s CPU 1.09s WALL ( 1305 calls) Called by h_psi: h_psi:vloc : 128.78s CPU 130.60s WALL ( 5813 calls) h_psi:vnl : 2.13s CPU 3.58s WALL ( 5813 calls) add_vuspsi : 1.16s CPU 1.64s WALL ( 5813 calls) General routines calbec : 0.96s CPU 1.93s WALL ( 5813 calls) fft : 0.03s CPU 0.06s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 126.50s CPU 123.10s WALL ( 552172 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.11s WALL ( 722 calls) Parallel routines fft_scatter : 109.28s CPU 68.13s WALL ( 552195 calls) PWSCF : 3m 0.92s CPU 3m11.03s WALL This run was terminated on: 13:40:34 27Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=