Program PWSCF v.5.1.1 starts on 27Jul2015 at 14: 3:47 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: ./MoS2.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 53 35 10 1020 532 89 Max 55 36 11 1022 545 91 Sum 1713 1125 343 32657 17261 2891 bravais-lattice index = 14 lattice parameter (alat) = 12.1001 a.u. unit-cell volume = 359.4856 (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)= 12.100130 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.877761 celldm(5)= 0.877761 celldm(6)= 0.877761 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.877761 0.479099 0.000000 ) a(3) = ( 0.877761 0.223955 0.423532 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.832110 -1.103696 ) b(2) = ( 0.000000 2.087253 -1.103696 ) b(3) = ( 0.000000 0.000000 2.361095 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Mo 14.00 95.94000 Mo( 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= 376 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 2) = ( 0.0086207 -0.0157940 -0.0095146), wk = 0.0026596 k( 3) = ( 0.0172414 -0.0315881 -0.0190292), wk = 0.0026596 k( 4) = ( 0.0258621 -0.0473821 -0.0285439), wk = 0.0026596 k( 5) = ( 0.0344828 -0.0631762 -0.0380585), wk = 0.0026596 k( 6) = ( 0.0431035 -0.0789702 -0.0475731), wk = 0.0026596 k( 7) = ( 0.0517241 -0.0947643 -0.0570877), wk = 0.0026596 k( 8) = ( 0.0603448 -0.1105583 -0.0666024), wk = 0.0026596 k( 9) = ( 0.0689655 -0.1263524 -0.0761170), wk = 0.0026596 k( 10) = ( 0.0775862 -0.1421464 -0.0856316), wk = 0.0026596 k( 11) = ( 0.0862069 -0.1579405 -0.0951462), wk = 0.0026596 k( 12) = ( 0.0948276 -0.1737345 -0.1046608), wk = 0.0026596 k( 13) = ( 0.1034483 -0.1895286 -0.1141755), wk = 0.0026596 k( 14) = ( 0.1120690 -0.2053226 -0.1236901), wk = 0.0026596 k( 15) = ( 0.1206897 -0.2211167 -0.1332047), wk = 0.0026596 k( 16) = ( 0.1293103 -0.2369107 -0.1427193), wk = 0.0026596 k( 17) = ( 0.1379310 -0.2527048 -0.1522339), wk = 0.0026596 k( 18) = ( 0.1465517 -0.2684988 -0.1617486), wk = 0.0026596 k( 19) = ( 0.1551724 -0.2842929 -0.1712632), wk = 0.0026596 k( 20) = ( 0.1637931 -0.3000869 -0.1807778), wk = 0.0026596 k( 21) = ( 0.1724138 -0.3158810 -0.1902924), wk = 0.0026596 k( 22) = ( 0.1810345 -0.3316750 -0.1998070), wk = 0.0026596 k( 23) = ( 0.1896552 -0.3474691 -0.2093217), wk = 0.0026596 k( 24) = ( 0.1982759 -0.3632631 -0.2188363), wk = 0.0026596 k( 25) = ( 0.2068966 -0.3790572 -0.2283509), wk = 0.0026596 k( 26) = ( 0.2155172 -0.3948512 -0.2378655), wk = 0.0026596 k( 27) = ( 0.2241379 -0.4106453 -0.2473802), wk = 0.0026596 k( 28) = ( 0.2327586 -0.4264393 -0.2568948), wk = 0.0026596 k( 29) = ( 0.2413793 -0.4422334 -0.2664094), wk = 0.0026596 k( 30) = ( 0.2500000 -0.4580274 -0.2759240), wk = 0.0026596 k( 31) = ( 0.2586207 -0.4738215 -0.2854386), wk = 0.0026596 k( 32) = ( 0.2672414 -0.4896155 -0.2949533), wk = 0.0026596 k( 33) = ( 0.2758621 -0.5054096 -0.3044679), wk = 0.0026596 k( 34) = ( 0.2844828 -0.5212036 -0.3139825), wk = 0.0026596 k( 35) = ( 0.2931034 -0.5369976 -0.3234971), wk = 0.0026596 k( 36) = ( 0.3017241 -0.5527917 -0.3330117), wk = 0.0026596 k( 37) = ( 0.3103448 -0.5685857 -0.3425264), wk = 0.0026596 k( 38) = ( 0.3189655 -0.5843798 -0.3520410), wk = 0.0026596 k( 39) = ( 0.3275862 -0.6001738 -0.3615556), wk = 0.0026596 k( 40) = ( 0.3362069 -0.6159679 -0.3710702), wk = 0.0026596 k( 41) = ( 0.3448276 -0.6317619 -0.3805849), wk = 0.0026596 k( 42) = ( 0.3534483 -0.6475560 -0.3900995), wk = 0.0026596 k( 43) = ( 0.3620690 -0.6633500 -0.3996141), wk = 0.0026596 k( 44) = ( 0.3706897 -0.6791441 -0.4091287), wk = 0.0026596 k( 45) = ( 0.3793103 -0.6949381 -0.4186433), wk = 0.0026596 k( 46) = ( 0.3879310 -0.7107322 -0.4281580), wk = 0.0026596 k( 47) = ( 0.3965517 -0.7265262 -0.4376726), wk = 0.0026596 k( 48) = ( 0.4051724 -0.7423203 -0.4471872), wk = 0.0026596 k( 49) = ( 0.4137931 -0.7581143 -0.4567018), wk = 0.0026596 k( 50) = ( 0.4224138 -0.7739084 -0.4662164), wk = 0.0026596 k( 51) = ( 0.4310345 -0.7897024 -0.4757311), wk = 0.0026596 k( 52) = ( 0.4396552 -0.8054965 -0.4852457), wk = 0.0026596 k( 53) = ( 0.4482759 -0.8212905 -0.4947603), wk = 0.0026596 k( 54) = ( 0.4568966 -0.8370846 -0.5042749), wk = 0.0026596 k( 55) = ( 0.4655172 -0.8528786 -0.5137895), wk = 0.0026596 k( 56) = ( 0.4741379 -0.8686727 -0.5233042), wk = 0.0026596 k( 57) = ( 0.4827586 -0.8844667 -0.5328188), wk = 0.0026596 k( 58) = ( 0.4913793 -0.9002608 -0.5423334), wk = 0.0026596 k( 59) = ( 0.5000000 -0.9160548 -0.5518480), wk = 0.0026596 k( 60) = ( 0.5000000 -0.9160548 -0.5518480), wk = 0.0026596 k( 61) = ( 0.5000000 -0.9058186 -0.5688399), wk = 0.0026596 k( 62) = ( 0.5000000 -0.8955824 -0.5858318), wk = 0.0026596 k( 63) = ( 0.5000000 -0.8853462 -0.6028237), wk = 0.0026596 k( 64) = ( 0.5000000 -0.8751099 -0.6198156), wk = 0.0026596 k( 65) = ( 0.5000000 -0.8648737 -0.6368074), wk = 0.0026596 k( 66) = ( 0.5000000 -0.8546375 -0.6537993), wk = 0.0026596 k( 67) = ( 0.5000000 -0.8444013 -0.6707912), wk = 0.0026596 k( 68) = ( 0.5000000 -0.8341651 -0.6877831), wk = 0.0026596 k( 69) = ( 0.5000000 -0.8239289 -0.7047749), wk = 0.0026596 k( 70) = ( 0.5000000 -0.8136926 -0.7217668), wk = 0.0026596 k( 71) = ( 0.5000000 -0.8034564 -0.7387587), wk = 0.0026596 k( 72) = ( 0.5000000 -0.7932202 -0.7557506), wk = 0.0026596 k( 73) = ( 0.5000000 -0.7829840 -0.7727425), wk = 0.0026596 k( 74) = ( 0.5000000 -0.7727478 -0.7897344), wk = 0.0026596 k( 75) = ( 0.5000000 -0.7625116 -0.8067262), wk = 0.0026596 k( 76) = ( 0.5000000 -0.7522753 -0.8237181), wk = 0.0026596 k( 77) = ( 0.5000000 -0.7420391 -0.8407100), wk = 0.0026596 k( 78) = ( 0.5000000 -0.7318029 -0.8577019), wk = 0.0026596 k( 79) = ( 0.5000000 -0.7215667 -0.8746938), wk = 0.0026596 k( 80) = ( 0.5000000 -0.7113305 -0.8916856), wk = 0.0026596 k( 81) = ( 0.5000000 -0.7010942 -0.9086775), wk = 0.0026596 k( 82) = ( 0.5000000 -0.6908580 -0.9256694), wk = 0.0026596 k( 83) = ( 0.5000000 -0.6806218 -0.9426613), wk = 0.0026596 k( 84) = ( 0.5000000 -0.6703856 -0.9596532), wk = 0.0026596 k( 85) = ( 0.5000000 -0.6601494 -0.9766450), wk = 0.0026596 k( 86) = ( 0.5000000 -0.6499132 -0.9936369), wk = 0.0026596 k( 87) = ( 0.5000000 -0.6396769 -1.0106288), wk = 0.0026596 k( 88) = ( 0.5000000 -0.6294407 -1.0276207), wk = 0.0026596 k( 89) = ( 0.5000000 -0.6192045 -1.0446126), wk = 0.0026596 k( 90) = ( 0.5000000 -0.6089683 -1.0616044), wk = 0.0026596 k( 91) = ( 0.5000000 -0.5987321 -1.0785963), wk = 0.0026596 k( 92) = ( 0.5000000 -0.5884959 -1.0955882), wk = 0.0026596 k( 93) = ( 0.5000000 -0.5782596 -1.1125801), wk = 0.0026596 k( 94) = ( 0.5000000 -0.5680234 -1.1295720), wk = 0.0026596 k( 95) = ( 0.5000000 -0.5577872 -1.1465638), wk = 0.0026596 k( 96) = ( 0.5000000 -0.5475510 -1.1635557), wk = 0.0026596 k( 97) = ( 0.5000000 -0.5373148 -1.1805476), wk = 0.0026596 k( 98) = ( 0.8185462 -0.4560398 -1.0268445), wk = 0.0026596 k( 99) = ( 0.8135689 -0.4469209 -1.0095993), wk = 0.0026596 k( 100) = ( 0.8085916 -0.4378019 -0.9923540), wk = 0.0026596 k( 101) = ( 0.8036143 -0.4286830 -0.9751088), wk = 0.0026596 k( 102) = ( 0.7986370 -0.4195641 -0.9578635), wk = 0.0026596 k( 103) = ( 0.7936598 -0.4104451 -0.9406183), wk = 0.0026596 k( 104) = ( 0.7886825 -0.4013262 -0.9233730), wk = 0.0026596 k( 105) = ( 0.7837052 -0.3922073 -0.9061278), wk = 0.0026596 k( 106) = ( 0.7787279 -0.3830883 -0.8888825), wk = 0.0026596 k( 107) = ( 0.7737506 -0.3739694 -0.8716373), wk = 0.0026596 k( 108) = ( 0.7687734 -0.3648505 -0.8543920), wk = 0.0026596 k( 109) = ( 0.7637961 -0.3557315 -0.8371467), wk = 0.0026596 k( 110) = ( 0.7588188 -0.3466126 -0.8199015), wk = 0.0026596 k( 111) = ( 0.7538415 -0.3374937 -0.8026563), wk = 0.0026596 k( 112) = ( 0.7488642 -0.3283748 -0.7854110), wk = 0.0026596 k( 113) = ( 0.7438869 -0.3192558 -0.7681658), wk = 0.0026596 k( 114) = ( 0.7389096 -0.3101369 -0.7509205), wk = 0.0026596 k( 115) = ( 0.7339324 -0.3010180 -0.7336753), wk = 0.0026596 k( 116) = ( 0.7289551 -0.2918990 -0.7164300), wk = 0.0026596 k( 117) = ( 0.7239778 -0.2827801 -0.6991848), wk = 0.0026596 k( 118) = ( 0.7190005 -0.2736612 -0.6819395), wk = 0.0026596 k( 119) = ( 0.7140232 -0.2645422 -0.6646942), wk = 0.0026596 k( 120) = ( 0.7090459 -0.2554233 -0.6474490), wk = 0.0026596 k( 121) = ( 0.7040686 -0.2463044 -0.6302037), wk = 0.0026596 k( 122) = ( 0.6990914 -0.2371855 -0.6129585), wk = 0.0026596 k( 123) = ( 0.6941141 -0.2280665 -0.5957133), wk = 0.0026596 k( 124) = ( 0.6891368 -0.2189476 -0.5784680), wk = 0.0026596 k( 125) = ( 0.6841595 -0.2098287 -0.5612228), wk = 0.0026596 k( 126) = ( 0.6791822 -0.2007097 -0.5439775), wk = 0.0026596 k( 127) = ( 0.6742050 -0.1915908 -0.5267323), wk = 0.0026596 k( 128) = ( 0.6692277 -0.1824719 -0.5094870), wk = 0.0026596 k( 129) = ( 0.6642504 -0.1733529 -0.4922417), wk = 0.0026596 k( 130) = ( 0.6592731 -0.1642340 -0.4749965), wk = 0.0026596 k( 131) = ( 0.6542958 -0.1551151 -0.4577512), wk = 0.0026596 k( 132) = ( 0.6493185 -0.1459962 -0.4405060), wk = 0.0026596 k( 133) = ( 0.6443412 -0.1368772 -0.4232607), wk = 0.0026596 k( 134) = ( 0.6393640 -0.1277583 -0.4060155), wk = 0.0026596 k( 135) = ( 0.6343867 -0.1186394 -0.3887702), wk = 0.0026596 k( 136) = ( 0.6294094 -0.1095204 -0.3715250), wk = 0.0026596 k( 137) = ( 0.6244321 -0.1004015 -0.3542797), wk = 0.0026596 k( 138) = ( 0.6194548 -0.0912826 -0.3370345), wk = 0.0026596 k( 139) = ( 0.6144775 -0.0821636 -0.3197892), wk = 0.0026596 k( 140) = ( 0.6095002 -0.0730447 -0.3025440), wk = 0.0026596 k( 141) = ( 0.6045230 -0.0639258 -0.2852987), wk = 0.0026596 k( 142) = ( 0.5995457 -0.0548068 -0.2680535), wk = 0.0026596 k( 143) = ( 0.5945684 -0.0456879 -0.2508082), wk = 0.0026596 k( 144) = ( 0.5895911 -0.0365690 -0.2335630), wk = 0.0026596 k( 145) = ( 0.5846138 -0.0274501 -0.2163177), wk = 0.0026596 k( 146) = ( 0.5796366 -0.0183311 -0.1990725), wk = 0.0026596 k( 147) = ( 0.5746593 -0.0092122 -0.1818272), wk = 0.0026596 k( 148) = ( 0.5696820 -0.0000933 -0.1645820), wk = 0.0026596 k( 149) = ( 0.5647047 0.0090257 -0.1473367), wk = 0.0026596 k( 150) = ( 0.5597274 0.0181446 -0.1300915), wk = 0.0026596 k( 151) = ( 0.5547501 0.0272635 -0.1128462), wk = 0.0026596 k( 152) = ( 0.5497728 0.0363825 -0.0956010), wk = 0.0026596 k( 153) = ( 0.5447956 0.0455014 -0.0783557), wk = 0.0026596 k( 154) = ( 0.5398183 0.0546203 -0.0611105), wk = 0.0026596 k( 155) = ( 0.5348410 0.0637392 -0.0438652), wk = 0.0026596 k( 156) = ( 0.5298637 0.0728582 -0.0266200), wk = 0.0026596 k( 157) = ( 0.5248864 0.0819771 -0.0093747), wk = 0.0026596 k( 158) = ( 0.5199091 0.0910960 0.0078705), wk = 0.0026596 k( 159) = ( 0.5149318 0.1002150 0.0251158), wk = 0.0026596 k( 160) = ( 0.5099546 0.1093339 0.0423610), wk = 0.0026596 k( 161) = ( 0.5049773 0.1184528 0.0596063), wk = 0.0026596 k( 162) = ( 0.5000000 0.1275718 0.0768515), wk = 0.0026596 k( 163) = ( 0.5000000 0.1275718 0.0768515), wk = 0.0026596 k( 164) = ( 0.4807692 0.1226652 0.0738957), wk = 0.0026596 k( 165) = ( 0.4615385 0.1177585 0.0709399), wk = 0.0026596 k( 166) = ( 0.4423077 0.1128519 0.0679841), wk = 0.0026596 k( 167) = ( 0.4230769 0.1079453 0.0650282), wk = 0.0026596 k( 168) = ( 0.4038462 0.1030387 0.0620724), wk = 0.0026596 k( 169) = ( 0.3846154 0.0981321 0.0591166), wk = 0.0026596 k( 170) = ( 0.3653846 0.0932255 0.0561607), wk = 0.0026596 k( 171) = ( 0.3461538 0.0883189 0.0532049), wk = 0.0026596 k( 172) = ( 0.3269231 0.0834123 0.0502491), wk = 0.0026596 k( 173) = ( 0.3076923 0.0785057 0.0472933), wk = 0.0026596 k( 174) = ( 0.2884615 0.0735991 0.0443374), wk = 0.0026596 k( 175) = ( 0.2692308 0.0686925 0.0413816), wk = 0.0026596 k( 176) = ( 0.2500000 0.0637859 0.0384258), wk = 0.0026596 k( 177) = ( 0.2307692 0.0588793 0.0354699), wk = 0.0026596 k( 178) = ( 0.2115385 0.0539727 0.0325141), wk = 0.0026596 k( 179) = ( 0.1923077 0.0490661 0.0295583), wk = 0.0026596 k( 180) = ( 0.1730769 0.0441595 0.0266025), wk = 0.0026596 k( 181) = ( 0.1538461 0.0392528 0.0236466), wk = 0.0026596 k( 182) = ( 0.1346154 0.0343462 0.0206908), wk = 0.0026596 k( 183) = ( 0.1153846 0.0294396 0.0177350), wk = 0.0026596 k( 184) = ( 0.0961538 0.0245330 0.0147791), wk = 0.0026596 k( 185) = ( 0.0769231 0.0196264 0.0118233), wk = 0.0026596 k( 186) = ( 0.0576923 0.0147198 0.0088675), wk = 0.0026596 k( 187) = ( 0.0384615 0.0098132 0.0059117), wk = 0.0026596 k( 188) = ( 0.0192308 0.0049066 0.0029558), wk = 0.0026596 k( 189) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 191) = ( 0.0050107 -0.0091801 -0.0173610), wk = 0.0026596 k( 192) = ( 0.0100214 -0.0183603 -0.0347220), wk = 0.0026596 k( 193) = ( 0.0150321 -0.0275404 -0.0520830), wk = 0.0026596 k( 194) = ( 0.0200428 -0.0367205 -0.0694440), wk = 0.0026596 k( 195) = ( 0.0250535 -0.0459007 -0.0868050), wk = 0.0026596 k( 196) = ( 0.0300641 -0.0550808 -0.1041660), wk = 0.0026596 k( 197) = ( 0.0350748 -0.0642609 -0.1215270), wk = 0.0026596 k( 198) = ( 0.0400855 -0.0734411 -0.1388880), wk = 0.0026596 k( 199) = ( 0.0450962 -0.0826212 -0.1562490), wk = 0.0026596 k( 200) = ( 0.0501069 -0.0918013 -0.1736100), wk = 0.0026596 k( 201) = ( 0.0551176 -0.1009815 -0.1909709), wk = 0.0026596 k( 202) = ( 0.0601283 -0.1101616 -0.2083319), wk = 0.0026596 k( 203) = ( 0.0651390 -0.1193417 -0.2256929), wk = 0.0026596 k( 204) = ( 0.0701497 -0.1285219 -0.2430539), wk = 0.0026596 k( 205) = ( 0.0751604 -0.1377020 -0.2604149), wk = 0.0026596 k( 206) = ( 0.0801710 -0.1468821 -0.2777759), wk = 0.0026596 k( 207) = ( 0.0851817 -0.1560623 -0.2951369), wk = 0.0026596 k( 208) = ( 0.0901924 -0.1652424 -0.3124979), wk = 0.0026596 k( 209) = ( 0.0952031 -0.1744225 -0.3298589), wk = 0.0026596 k( 210) = ( 0.1002138 -0.1836027 -0.3472199), wk = 0.0026596 k( 211) = ( 0.1052245 -0.1927828 -0.3645809), wk = 0.0026596 k( 212) = ( 0.1102352 -0.2019629 -0.3819419), wk = 0.0026596 k( 213) = ( 0.1152459 -0.2111430 -0.3993029), wk = 0.0026596 k( 214) = ( 0.1202566 -0.2203232 -0.4166638), wk = 0.0026596 k( 215) = ( 0.1252672 -0.2295033 -0.4340248), wk = 0.0026596 k( 216) = ( 0.1302779 -0.2386834 -0.4513858), wk = 0.0026596 k( 217) = ( 0.1352886 -0.2478636 -0.4687468), wk = 0.0026596 k( 218) = ( 0.1402993 -0.2570437 -0.4861078), wk = 0.0026596 k( 219) = ( 0.1453100 -0.2662238 -0.5034688), wk = 0.0026596 k( 220) = ( 0.1503207 -0.2754040 -0.5208298), wk = 0.0026596 k( 221) = ( 0.1553314 -0.2845841 -0.5381908), wk = 0.0026596 k( 222) = ( 0.1603421 -0.2937642 -0.5555518), wk = 0.0026596 k( 223) = ( 0.1653528 -0.3029444 -0.5729128), wk = 0.0026596 k( 224) = ( 0.1703634 -0.3121245 -0.5902738), wk = 0.0026596 k( 225) = ( 0.1753741 -0.3213046 -0.6076348), wk = 0.0026596 k( 226) = ( 0.1803848 -0.3304848 -0.6249958), wk = 0.0026596 k( 227) = ( 0.1853955 -0.3396649 -0.6423568), wk = 0.0026596 k( 228) = ( 0.1904062 -0.3488450 -0.6597178), wk = 0.0026596 k( 229) = ( 0.1954169 -0.3580252 -0.6770788), wk = 0.0026596 k( 230) = ( 0.2004276 -0.3672053 -0.6944398), wk = 0.0026596 k( 231) = ( 0.2054383 -0.3763854 -0.7118008), wk = 0.0026596 k( 232) = ( 0.2104490 -0.3855656 -0.7291618), wk = 0.0026596 k( 233) = ( 0.2154597 -0.3947457 -0.7465228), wk = 0.0026596 k( 234) = ( 0.2204704 -0.4039258 -0.7638837), wk = 0.0026596 k( 235) = ( 0.2254810 -0.4131060 -0.7812447), wk = 0.0026596 k( 236) = ( 0.2304917 -0.4222861 -0.7986057), wk = 0.0026596 k( 237) = ( 0.2355024 -0.4314662 -0.8159667), wk = 0.0026596 k( 238) = ( 0.2405131 -0.4406464 -0.8333277), wk = 0.0026596 k( 239) = ( 0.2455238 -0.4498265 -0.8506887), wk = 0.0026596 k( 240) = ( 0.2505345 -0.4590066 -0.8680497), wk = 0.0026596 k( 241) = ( 0.2555452 -0.4681868 -0.8854107), wk = 0.0026596 k( 242) = ( 0.2605559 -0.4773669 -0.9027717), wk = 0.0026596 k( 243) = ( 0.2655666 -0.4865470 -0.9201327), wk = 0.0026596 k( 244) = ( 0.2705772 -0.4957272 -0.9374937), wk = 0.0026596 k( 245) = ( 0.2755879 -0.5049073 -0.9548547), wk = 0.0026596 k( 246) = ( 0.2805986 -0.5140874 -0.9722157), wk = 0.0026596 k( 247) = ( 0.2856093 -0.5232676 -0.9895767), wk = 0.0026596 k( 248) = ( 0.2906200 -0.5324477 -1.0069377), wk = 0.0026596 k( 249) = ( 0.2956307 -0.5416278 -1.0242987), wk = 0.0026596 k( 250) = ( 0.3006414 -0.5508080 -1.0416597), wk = 0.0026596 k( 251) = ( 0.3056521 -0.5599881 -1.0590207), wk = 0.0026596 k( 252) = ( 0.3106628 -0.5691682 -1.0763817), wk = 0.0026596 k( 253) = ( 0.3156735 -0.5783484 -1.0937427), wk = 0.0026596 k( 254) = ( 0.3206842 -0.5875285 -1.1111036), wk = 0.0026596 k( 255) = ( 0.3256948 -0.5967086 -1.1284646), wk = 0.0026596 k( 256) = ( 0.3307055 -0.6058888 -1.1458256), wk = 0.0026596 k( 257) = ( 0.3357162 -0.6150689 -1.1631866), wk = 0.0026596 k( 258) = ( 0.3407269 -0.6242490 -1.1805476), wk = 0.0026596 k( 259) = ( 0.6592731 -0.4966773 -1.1036961), wk = 0.0026596 k( 260) = ( 0.6542958 -0.4771695 -1.1036961), wk = 0.0026596 k( 261) = ( 0.6493185 -0.4576617 -1.1036961), wk = 0.0026596 k( 262) = ( 0.6443412 -0.4381539 -1.1036961), wk = 0.0026596 k( 263) = ( 0.6393640 -0.4186462 -1.1036961), wk = 0.0026596 k( 264) = ( 0.6343867 -0.3991383 -1.1036961), wk = 0.0026596 k( 265) = ( 0.6294094 -0.3796306 -1.1036961), wk = 0.0026596 k( 266) = ( 0.6244321 -0.3601228 -1.1036961), wk = 0.0026596 k( 267) = ( 0.6194548 -0.3406150 -1.1036961), wk = 0.0026596 k( 268) = ( 0.6144775 -0.3211072 -1.1036961), wk = 0.0026596 k( 269) = ( 0.6095002 -0.3015994 -1.1036961), wk = 0.0026596 k( 270) = ( 0.6045230 -0.2820917 -1.1036961), wk = 0.0026596 k( 271) = ( 0.5995457 -0.2625839 -1.1036961), wk = 0.0026596 k( 272) = ( 0.5945684 -0.2430761 -1.1036961), wk = 0.0026596 k( 273) = ( 0.5895911 -0.2235683 -1.1036961), wk = 0.0026596 k( 274) = ( 0.5846138 -0.2040605 -1.1036961), wk = 0.0026596 k( 275) = ( 0.5796366 -0.1845528 -1.1036961), wk = 0.0026596 k( 276) = ( 0.5746593 -0.1650450 -1.1036961), wk = 0.0026596 k( 277) = ( 0.5696820 -0.1455372 -1.1036961), wk = 0.0026596 k( 278) = ( 0.5647047 -0.1260294 -1.1036961), wk = 0.0026596 k( 279) = ( 0.5597274 -0.1065216 -1.1036961), wk = 0.0026596 k( 280) = ( 0.5547501 -0.0870139 -1.1036961), wk = 0.0026596 k( 281) = ( 0.5497728 -0.0675061 -1.1036961), wk = 0.0026596 k( 282) = ( 0.5447956 -0.0479983 -1.1036961), wk = 0.0026596 k( 283) = ( 0.5398183 -0.0284905 -1.1036961), wk = 0.0026596 k( 284) = ( 0.5348410 -0.0089827 -1.1036961), wk = 0.0026596 k( 285) = ( 0.5298637 0.0105250 -1.1036961), wk = 0.0026596 k( 286) = ( 0.5248864 0.0300329 -1.1036961), wk = 0.0026596 k( 287) = ( 0.5199091 0.0495406 -1.1036961), wk = 0.0026596 k( 288) = ( 0.5149318 0.0690484 -1.1036961), wk = 0.0026596 k( 289) = ( 0.5099546 0.0885562 -1.1036961), wk = 0.0026596 k( 290) = ( 0.5049773 0.1080640 -1.1036961), wk = 0.0026596 k( 291) = ( 0.5000000 0.1275718 -1.1036961), wk = 0.0026596 k( 292) = ( 0.5000000 0.1275718 -1.1036961), wk = 0.0026596 k( 293) = ( 0.5176970 0.1320870 -1.0951570), wk = 0.0026596 k( 294) = ( 0.5353940 0.1366023 -1.0866179), wk = 0.0026596 k( 295) = ( 0.5530910 0.1411176 -1.0780789), wk = 0.0026596 k( 296) = ( 0.5707880 0.1456329 -1.0695398), wk = 0.0026596 k( 297) = ( 0.5884850 0.1501481 -1.0610008), wk = 0.0026596 k( 298) = ( 0.6061821 0.1546634 -1.0524617), wk = 0.0026596 k( 299) = ( 0.6238791 0.1591787 -1.0439226), wk = 0.0026596 k( 300) = ( 0.6415761 0.1636940 -1.0353836), wk = 0.0026596 k( 301) = ( 0.6592731 0.1682093 -1.0268445), wk = 0.0026596 k( 302) = ( 0.6592731 0.1682093 -1.0268445), wk = 0.0026596 k( 303) = ( 0.6563772 0.1674704 -1.0067773), wk = 0.0026596 k( 304) = ( 0.6534813 0.1667315 -0.9867101), wk = 0.0026596 k( 305) = ( 0.6505855 0.1659927 -0.9666429), wk = 0.0026596 k( 306) = ( 0.6476896 0.1652538 -0.9465757), wk = 0.0026596 k( 307) = ( 0.6447937 0.1645149 -0.9265085), wk = 0.0026596 k( 308) = ( 0.6418978 0.1637761 -0.9064413), wk = 0.0026596 k( 309) = ( 0.6390020 0.1630372 -0.8863741), wk = 0.0026596 k( 310) = ( 0.6361061 0.1622983 -0.8663069), wk = 0.0026596 k( 311) = ( 0.6332102 0.1615595 -0.8462397), wk = 0.0026596 k( 312) = ( 0.6303144 0.1608206 -0.8261725), wk = 0.0026596 k( 313) = ( 0.6274185 0.1600818 -0.8061053), wk = 0.0026596 k( 314) = ( 0.6245226 0.1593429 -0.7860381), wk = 0.0026596 k( 315) = ( 0.6216267 0.1586040 -0.7659709), wk = 0.0026596 k( 316) = ( 0.6187309 0.1578652 -0.7459037), wk = 0.0026596 k( 317) = ( 0.6158350 0.1571263 -0.7258365), wk = 0.0026596 k( 318) = ( 0.6129391 0.1563874 -0.7057693), wk = 0.0026596 k( 319) = ( 0.6100432 0.1556486 -0.6857021), wk = 0.0026596 k( 320) = ( 0.6071474 0.1549097 -0.6656349), wk = 0.0026596 k( 321) = ( 0.6042515 0.1541708 -0.6455677), wk = 0.0026596 k( 322) = ( 0.6013556 0.1534320 -0.6255005), wk = 0.0026596 k( 323) = ( 0.5984597 0.1526931 -0.6054333), wk = 0.0026596 k( 324) = ( 0.5955639 0.1519543 -0.5853661), wk = 0.0026596 k( 325) = ( 0.5926680 0.1512154 -0.5652989), wk = 0.0026596 k( 326) = ( 0.5897721 0.1504765 -0.5452317), wk = 0.0026596 k( 327) = ( 0.5868762 0.1497377 -0.5251645), wk = 0.0026596 k( 328) = ( 0.5839804 0.1489988 -0.5050973), wk = 0.0026596 k( 329) = ( 0.5810845 0.1482599 -0.4850301), wk = 0.0026596 k( 330) = ( 0.5781886 0.1475211 -0.4649629), wk = 0.0026596 k( 331) = ( 0.5752927 0.1467822 -0.4448957), wk = 0.0026596 k( 332) = ( 0.5723969 0.1460433 -0.4248285), wk = 0.0026596 k( 333) = ( 0.5695010 0.1453045 -0.4047613), wk = 0.0026596 k( 334) = ( 0.5666051 0.1445656 -0.3846941), wk = 0.0026596 k( 335) = ( 0.5637092 0.1438268 -0.3646269), wk = 0.0026596 k( 336) = ( 0.5608134 0.1430879 -0.3445597), wk = 0.0026596 k( 337) = ( 0.5579175 0.1423490 -0.3244925), wk = 0.0026596 k( 338) = ( 0.5550216 0.1416102 -0.3044253), wk = 0.0026596 k( 339) = ( 0.5521257 0.1408713 -0.2843581), wk = 0.0026596 k( 340) = ( 0.5492299 0.1401324 -0.2642909), wk = 0.0026596 k( 341) = ( 0.5463340 0.1393936 -0.2442237), wk = 0.0026596 k( 342) = ( 0.5434381 0.1386547 -0.2241565), wk = 0.0026596 k( 343) = ( 0.5405422 0.1379158 -0.2040893), wk = 0.0026596 k( 344) = ( 0.5376464 0.1371770 -0.1840221), wk = 0.0026596 k( 345) = ( 0.5347505 0.1364381 -0.1639549), wk = 0.0026596 k( 346) = ( 0.5318546 0.1356993 -0.1438877), wk = 0.0026596 k( 347) = ( 0.5289587 0.1349604 -0.1238205), wk = 0.0026596 k( 348) = ( 0.5260629 0.1342215 -0.1037533), wk = 0.0026596 k( 349) = ( 0.5231670 0.1334827 -0.0836861), wk = 0.0026596 k( 350) = ( 0.5202711 0.1327438 -0.0636189), wk = 0.0026596 k( 351) = ( 0.5173752 0.1320049 -0.0435517), wk = 0.0026596 k( 352) = ( 0.5144794 0.1312661 -0.0234844), wk = 0.0026596 k( 353) = ( 0.5115835 0.1305272 -0.0034173), wk = 0.0026596 k( 354) = ( 0.5086876 0.1297883 0.0166499), wk = 0.0026596 k( 355) = ( 0.5057917 0.1290495 0.0367171), wk = 0.0026596 k( 356) = ( 0.5028959 0.1283106 0.0567843), wk = 0.0026596 k( 357) = ( 0.5000000 0.1275718 0.0768515), wk = 0.0026596 k( 358) = ( 0.5000000 -0.9160548 -0.5518480), wk = 0.0026596 k( 359) = ( 0.5176970 -0.9089675 -0.5475785), wk = 0.0026596 k( 360) = ( 0.5353940 -0.9018802 -0.5433090), wk = 0.0026596 k( 361) = ( 0.5530910 -0.8947928 -0.5390394), wk = 0.0026596 k( 362) = ( 0.5707880 -0.8877055 -0.5347699), wk = 0.0026596 k( 363) = ( 0.5884850 -0.8806182 -0.5305004), wk = 0.0026596 k( 364) = ( 0.6061821 -0.8735309 -0.5262309), wk = 0.0026596 k( 365) = ( 0.6238791 -0.8664436 -0.5219613), wk = 0.0026596 k( 366) = ( 0.6415761 -0.8593562 -0.5176918), wk = 0.0026596 k( 367) = ( 0.6592731 -0.8522689 -0.5134223), wk = 0.0026596 k( 368) = ( 0.6769701 -0.8451816 -0.5091527), wk = 0.0026596 k( 369) = ( 0.6946671 -0.8380943 -0.5048832), wk = 0.0026596 k( 370) = ( 0.7123641 -0.8310070 -0.5006137), wk = 0.0026596 k( 371) = ( 0.7300611 -0.8239197 -0.4963441), wk = 0.0026596 k( 372) = ( 0.7477582 -0.8168323 -0.4920746), wk = 0.0026596 k( 373) = ( 0.7654552 -0.8097450 -0.4878051), wk = 0.0026596 k( 374) = ( 0.7831522 -0.8026577 -0.4835356), wk = 0.0026596 k( 375) = ( 0.8008492 -0.7955704 -0.4792660), wk = 0.0026596 k( 376) = ( 0.8185462 -0.7884831 -0.4749965), wk = 0.0026596 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 2) = ( 0.0086207 -0.0000000 0.0000000), wk = 0.0026596 k( 3) = ( 0.0172414 -0.0000000 0.0000000), wk = 0.0026596 k( 4) = ( 0.0258621 -0.0000000 -0.0000000), wk = 0.0026596 k( 5) = ( 0.0344828 -0.0000000 0.0000000), wk = 0.0026596 k( 6) = ( 0.0431035 -0.0000000 -0.0000000), wk = 0.0026596 k( 7) = ( 0.0517241 -0.0000000 -0.0000000), wk = 0.0026596 k( 8) = ( 0.0603448 -0.0000000 -0.0000000), wk = 0.0026596 k( 9) = ( 0.0689655 -0.0000000 0.0000000), wk = 0.0026596 k( 10) = ( 0.0775862 -0.0000000 -0.0000000), wk = 0.0026596 k( 11) = ( 0.0862069 -0.0000000 -0.0000000), wk = 0.0026596 k( 12) = ( 0.0948276 -0.0000000 -0.0000000), wk = 0.0026596 k( 13) = ( 0.1034483 -0.0000000 -0.0000000), wk = 0.0026596 k( 14) = ( 0.1120690 -0.0000000 -0.0000000), wk = 0.0026596 k( 15) = ( 0.1206897 -0.0000000 -0.0000000), wk = 0.0026596 k( 16) = ( 0.1293103 0.0000000 0.0000000), wk = 0.0026596 k( 17) = ( 0.1379310 0.0000000 0.0000000), wk = 0.0026596 k( 18) = ( 0.1465517 0.0000000 -0.0000000), wk = 0.0026596 k( 19) = ( 0.1551724 0.0000000 0.0000000), wk = 0.0026596 k( 20) = ( 0.1637931 0.0000000 -0.0000000), wk = 0.0026596 k( 21) = ( 0.1724138 0.0000000 0.0000000), wk = 0.0026596 k( 22) = ( 0.1810345 0.0000000 -0.0000000), wk = 0.0026596 k( 23) = ( 0.1896552 0.0000000 0.0000000), wk = 0.0026596 k( 24) = ( 0.1982759 0.0000000 -0.0000000), wk = 0.0026596 k( 25) = ( 0.2068966 0.0000000 -0.0000000), wk = 0.0026596 k( 26) = ( 0.2155172 -0.0000000 -0.0000000), wk = 0.0026596 k( 27) = ( 0.2241379 0.0000000 0.0000000), wk = 0.0026596 k( 28) = ( 0.2327586 -0.0000000 -0.0000000), wk = 0.0026596 k( 29) = ( 0.2413793 0.0000000 -0.0000000), wk = 0.0026596 k( 30) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0026596 k( 31) = ( 0.2586207 -0.0000000 -0.0000000), wk = 0.0026596 k( 32) = ( 0.2672414 -0.0000000 -0.0000000), wk = 0.0026596 k( 33) = ( 0.2758621 -0.0000000 -0.0000000), wk = 0.0026596 k( 34) = ( 0.2844828 -0.0000000 -0.0000000), wk = 0.0026596 k( 35) = ( 0.2931034 0.0000000 -0.0000000), wk = 0.0026596 k( 36) = ( 0.3017241 0.0000000 0.0000000), wk = 0.0026596 k( 37) = ( 0.3103448 -0.0000000 -0.0000000), wk = 0.0026596 k( 38) = ( 0.3189655 0.0000000 0.0000000), wk = 0.0026596 k( 39) = ( 0.3275862 0.0000000 -0.0000000), wk = 0.0026596 k( 40) = ( 0.3362069 0.0000000 0.0000000), wk = 0.0026596 k( 41) = ( 0.3448276 -0.0000000 -0.0000000), wk = 0.0026596 k( 42) = ( 0.3534483 0.0000000 -0.0000000), wk = 0.0026596 k( 43) = ( 0.3620690 0.0000000 -0.0000000), wk = 0.0026596 k( 44) = ( 0.3706897 0.0000000 0.0000000), wk = 0.0026596 k( 45) = ( 0.3793103 0.0000000 0.0000000), wk = 0.0026596 k( 46) = ( 0.3879310 -0.0000000 -0.0000000), wk = 0.0026596 k( 47) = ( 0.3965517 0.0000000 -0.0000000), wk = 0.0026596 k( 48) = ( 0.4051724 -0.0000000 -0.0000000), wk = 0.0026596 k( 49) = ( 0.4137931 0.0000000 -0.0000000), wk = 0.0026596 k( 50) = ( 0.4224138 -0.0000000 -0.0000000), wk = 0.0026596 k( 51) = ( 0.4310345 -0.0000000 -0.0000000), wk = 0.0026596 k( 52) = ( 0.4396552 -0.0000000 -0.0000000), wk = 0.0026596 k( 53) = ( 0.4482759 0.0000000 0.0000000), wk = 0.0026596 k( 54) = ( 0.4568966 -0.0000000 -0.0000000), wk = 0.0026596 k( 55) = ( 0.4655172 -0.0000000 -0.0000000), wk = 0.0026596 k( 56) = ( 0.4741379 0.0000000 -0.0000000), wk = 0.0026596 k( 57) = ( 0.4827586 0.0000000 -0.0000000), wk = 0.0026596 k( 58) = ( 0.4913793 -0.0000000 -0.0000000), wk = 0.0026596 k( 59) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026596 k( 60) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026596 k( 61) = ( 0.5000000 0.0049042 -0.0049042), wk = 0.0026596 k( 62) = ( 0.5000000 0.0098083 -0.0098083), wk = 0.0026596 k( 63) = ( 0.5000000 0.0147125 -0.0147125), wk = 0.0026596 k( 64) = ( 0.5000000 0.0196166 -0.0196166), wk = 0.0026596 k( 65) = ( 0.5000000 0.0245208 -0.0245208), wk = 0.0026596 k( 66) = ( 0.5000000 0.0294249 -0.0294249), wk = 0.0026596 k( 67) = ( 0.5000000 0.0343291 -0.0343291), wk = 0.0026596 k( 68) = ( 0.5000000 0.0392333 -0.0392333), wk = 0.0026596 k( 69) = ( 0.5000000 0.0441374 -0.0441374), wk = 0.0026596 k( 70) = ( 0.5000000 0.0490416 -0.0490416), wk = 0.0026596 k( 71) = ( 0.5000000 0.0539457 -0.0539457), wk = 0.0026596 k( 72) = ( 0.5000000 0.0588499 -0.0588499), wk = 0.0026596 k( 73) = ( 0.5000000 0.0637540 -0.0637540), wk = 0.0026596 k( 74) = ( 0.5000000 0.0686582 -0.0686582), wk = 0.0026596 k( 75) = ( 0.5000000 0.0735623 -0.0735624), wk = 0.0026596 k( 76) = ( 0.5000000 0.0784665 -0.0784665), wk = 0.0026596 k( 77) = ( 0.5000000 0.0833707 -0.0833707), wk = 0.0026596 k( 78) = ( 0.5000000 0.0882748 -0.0882748), wk = 0.0026596 k( 79) = ( 0.5000000 0.0931790 -0.0931790), wk = 0.0026596 k( 80) = ( 0.5000000 0.0980831 -0.0980831), wk = 0.0026596 k( 81) = ( 0.5000000 0.1029873 -0.1029873), wk = 0.0026596 k( 82) = ( 0.5000000 0.1078914 -0.1078914), wk = 0.0026596 k( 83) = ( 0.5000000 0.1127956 -0.1127956), wk = 0.0026596 k( 84) = ( 0.5000000 0.1176998 -0.1176998), wk = 0.0026596 k( 85) = ( 0.5000000 0.1226039 -0.1226039), wk = 0.0026596 k( 86) = ( 0.5000000 0.1275081 -0.1275081), wk = 0.0026596 k( 87) = ( 0.5000000 0.1324122 -0.1324122), wk = 0.0026596 k( 88) = ( 0.5000000 0.1373164 -0.1373164), wk = 0.0026596 k( 89) = ( 0.5000000 0.1422205 -0.1422206), wk = 0.0026596 k( 90) = ( 0.5000000 0.1471247 -0.1471247), wk = 0.0026596 k( 91) = ( 0.5000000 0.1520289 -0.1520289), wk = 0.0026596 k( 92) = ( 0.5000000 0.1569330 -0.1569330), wk = 0.0026596 k( 93) = ( 0.5000000 0.1618372 -0.1618372), wk = 0.0026596 k( 94) = ( 0.5000000 0.1667413 -0.1667413), wk = 0.0026596 k( 95) = ( 0.5000000 0.1716455 -0.1716455), wk = 0.0026596 k( 96) = ( 0.5000000 0.1765497 -0.1765497), wk = 0.0026596 k( 97) = ( 0.5000000 0.1814538 -0.1814538), wk = 0.0026596 k( 98) = ( 0.8185462 0.5000000 0.1814538), wk = 0.0026596 k( 99) = ( 0.8135689 0.5000000 0.1864311), wk = 0.0026596 k( 100) = ( 0.8085916 0.5000000 0.1914084), wk = 0.0026596 k( 101) = ( 0.8036143 0.5000000 0.1963857), wk = 0.0026596 k( 102) = ( 0.7986370 0.5000000 0.2013629), wk = 0.0026596 k( 103) = ( 0.7936598 0.5000000 0.2063402), wk = 0.0026596 k( 104) = ( 0.7886825 0.5000000 0.2113175), wk = 0.0026596 k( 105) = ( 0.7837052 0.5000000 0.2162948), wk = 0.0026596 k( 106) = ( 0.7787279 0.5000000 0.2212721), wk = 0.0026596 k( 107) = ( 0.7737506 0.5000000 0.2262494), wk = 0.0026596 k( 108) = ( 0.7687734 0.5000000 0.2312266), wk = 0.0026596 k( 109) = ( 0.7637961 0.5000000 0.2362039), wk = 0.0026596 k( 110) = ( 0.7588188 0.5000000 0.2411812), wk = 0.0026596 k( 111) = ( 0.7538415 0.5000000 0.2461585), wk = 0.0026596 k( 112) = ( 0.7488642 0.5000000 0.2511358), wk = 0.0026596 k( 113) = ( 0.7438869 0.5000000 0.2561131), wk = 0.0026596 k( 114) = ( 0.7389096 0.5000000 0.2610904), wk = 0.0026596 k( 115) = ( 0.7339324 0.5000000 0.2660676), wk = 0.0026596 k( 116) = ( 0.7289551 0.5000000 0.2710449), wk = 0.0026596 k( 117) = ( 0.7239778 0.5000000 0.2760222), wk = 0.0026596 k( 118) = ( 0.7190005 0.5000000 0.2809995), wk = 0.0026596 k( 119) = ( 0.7140232 0.5000000 0.2859768), wk = 0.0026596 k( 120) = ( 0.7090459 0.5000000 0.2909541), wk = 0.0026596 k( 121) = ( 0.7040686 0.5000000 0.2959313), wk = 0.0026596 k( 122) = ( 0.6990914 0.5000000 0.3009086), wk = 0.0026596 k( 123) = ( 0.6941141 0.5000000 0.3058859), wk = 0.0026596 k( 124) = ( 0.6891368 0.5000000 0.3108632), wk = 0.0026596 k( 125) = ( 0.6841595 0.5000000 0.3158405), wk = 0.0026596 k( 126) = ( 0.6791822 0.5000000 0.3208178), wk = 0.0026596 k( 127) = ( 0.6742050 0.5000000 0.3257950), wk = 0.0026596 k( 128) = ( 0.6692277 0.5000000 0.3307723), wk = 0.0026596 k( 129) = ( 0.6642504 0.5000000 0.3357496), wk = 0.0026596 k( 130) = ( 0.6592731 0.5000000 0.3407269), wk = 0.0026596 k( 131) = ( 0.6542958 0.5000000 0.3457042), wk = 0.0026596 k( 132) = ( 0.6493185 0.5000000 0.3506815), wk = 0.0026596 k( 133) = ( 0.6443412 0.5000000 0.3556588), wk = 0.0026596 k( 134) = ( 0.6393640 0.5000000 0.3606360), wk = 0.0026596 k( 135) = ( 0.6343867 0.5000000 0.3656133), wk = 0.0026596 k( 136) = ( 0.6294094 0.5000000 0.3705906), wk = 0.0026596 k( 137) = ( 0.6244321 0.5000000 0.3755679), wk = 0.0026596 k( 138) = ( 0.6194548 0.5000000 0.3805452), wk = 0.0026596 k( 139) = ( 0.6144775 0.5000000 0.3855225), wk = 0.0026596 k( 140) = ( 0.6095002 0.5000000 0.3904997), wk = 0.0026596 k( 141) = ( 0.6045230 0.5000000 0.3954770), wk = 0.0026596 k( 142) = ( 0.5995457 0.5000000 0.4004543), wk = 0.0026596 k( 143) = ( 0.5945684 0.5000000 0.4054316), wk = 0.0026596 k( 144) = ( 0.5895911 0.5000000 0.4104089), wk = 0.0026596 k( 145) = ( 0.5846138 0.5000000 0.4153862), wk = 0.0026596 k( 146) = ( 0.5796366 0.5000000 0.4203634), wk = 0.0026596 k( 147) = ( 0.5746593 0.5000000 0.4253407), wk = 0.0026596 k( 148) = ( 0.5696820 0.5000000 0.4303180), wk = 0.0026596 k( 149) = ( 0.5647047 0.5000000 0.4352953), wk = 0.0026596 k( 150) = ( 0.5597274 0.5000000 0.4402726), wk = 0.0026596 k( 151) = ( 0.5547501 0.5000000 0.4452499), wk = 0.0026596 k( 152) = ( 0.5497728 0.5000000 0.4502272), wk = 0.0026596 k( 153) = ( 0.5447956 0.5000000 0.4552044), wk = 0.0026596 k( 154) = ( 0.5398183 0.5000000 0.4601817), wk = 0.0026596 k( 155) = ( 0.5348410 0.5000000 0.4651590), wk = 0.0026596 k( 156) = ( 0.5298637 0.5000000 0.4701363), wk = 0.0026596 k( 157) = ( 0.5248864 0.5000000 0.4751136), wk = 0.0026596 k( 158) = ( 0.5199091 0.5000000 0.4800909), wk = 0.0026596 k( 159) = ( 0.5149318 0.5000000 0.4850681), wk = 0.0026596 k( 160) = ( 0.5099546 0.5000000 0.4900454), wk = 0.0026596 k( 161) = ( 0.5049773 0.5000000 0.4950227), wk = 0.0026596 k( 162) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 k( 163) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 k( 164) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0026596 k( 165) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0026596 k( 166) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0026596 k( 167) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0026596 k( 168) = ( 0.4038462 0.4038462 0.4038461), wk = 0.0026596 k( 169) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0026596 k( 170) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0026596 k( 171) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0026596 k( 172) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0026596 k( 173) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0026596 k( 174) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0026596 k( 175) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0026596 k( 176) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026596 k( 177) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0026596 k( 178) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0026596 k( 179) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0026596 k( 180) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0026596 k( 181) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0026596 k( 182) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0026596 k( 183) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0026596 k( 184) = ( 0.0961538 0.0961539 0.0961538), wk = 0.0026596 k( 185) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0026596 k( 186) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0026596 k( 187) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0026596 k( 188) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0026596 k( 189) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 191) = ( 0.0050107 0.0000000 -0.0050107), wk = 0.0026596 k( 192) = ( 0.0100214 0.0000000 -0.0100214), wk = 0.0026596 k( 193) = ( 0.0150321 -0.0000000 -0.0150321), wk = 0.0026596 k( 194) = ( 0.0200428 0.0000000 -0.0200428), wk = 0.0026596 k( 195) = ( 0.0250535 -0.0000000 -0.0250535), wk = 0.0026596 k( 196) = ( 0.0300641 -0.0000000 -0.0300641), wk = 0.0026596 k( 197) = ( 0.0350748 -0.0000000 -0.0350748), wk = 0.0026596 k( 198) = ( 0.0400855 0.0000000 -0.0400855), wk = 0.0026596 k( 199) = ( 0.0450962 -0.0000000 -0.0450962), wk = 0.0026596 k( 200) = ( 0.0501069 -0.0000000 -0.0501069), wk = 0.0026596 k( 201) = ( 0.0551176 -0.0000000 -0.0551176), wk = 0.0026596 k( 202) = ( 0.0601283 -0.0000000 -0.0601283), wk = 0.0026596 k( 203) = ( 0.0651390 -0.0000000 -0.0651390), wk = 0.0026596 k( 204) = ( 0.0701497 -0.0000000 -0.0701497), wk = 0.0026596 k( 205) = ( 0.0751604 0.0000000 -0.0751603), wk = 0.0026596 k( 206) = ( 0.0801710 0.0000000 -0.0801710), wk = 0.0026596 k( 207) = ( 0.0851817 -0.0000000 -0.0851817), wk = 0.0026596 k( 208) = ( 0.0901924 -0.0000000 -0.0901924), wk = 0.0026596 k( 209) = ( 0.0952031 -0.0000000 -0.0952031), wk = 0.0026596 k( 210) = ( 0.1002138 -0.0000000 -0.1002138), wk = 0.0026596 k( 211) = ( 0.1052245 0.0000000 -0.1052245), wk = 0.0026596 k( 212) = ( 0.1102352 0.0000000 -0.1102352), wk = 0.0026596 k( 213) = ( 0.1152459 0.0000000 -0.1152459), wk = 0.0026596 k( 214) = ( 0.1202566 -0.0000000 -0.1202566), wk = 0.0026596 k( 215) = ( 0.1252672 -0.0000000 -0.1252672), wk = 0.0026596 k( 216) = ( 0.1302779 0.0000000 -0.1302779), wk = 0.0026596 k( 217) = ( 0.1352886 0.0000000 -0.1352886), wk = 0.0026596 k( 218) = ( 0.1402993 0.0000000 -0.1402993), wk = 0.0026596 k( 219) = ( 0.1453100 0.0000000 -0.1453100), wk = 0.0026596 k( 220) = ( 0.1503207 0.0000000 -0.1503207), wk = 0.0026596 k( 221) = ( 0.1553314 -0.0000000 -0.1553314), wk = 0.0026596 k( 222) = ( 0.1603421 0.0000000 -0.1603421), wk = 0.0026596 k( 223) = ( 0.1653528 -0.0000000 -0.1653528), wk = 0.0026596 k( 224) = ( 0.1703634 0.0000000 -0.1703635), wk = 0.0026596 k( 225) = ( 0.1753741 -0.0000000 -0.1753741), wk = 0.0026596 k( 226) = ( 0.1803848 0.0000000 -0.1803848), wk = 0.0026596 k( 227) = ( 0.1853955 -0.0000000 -0.1853955), wk = 0.0026596 k( 228) = ( 0.1904062 0.0000000 -0.1904062), wk = 0.0026596 k( 229) = ( 0.1954169 0.0000000 -0.1954169), wk = 0.0026596 k( 230) = ( 0.2004276 0.0000000 -0.2004276), wk = 0.0026596 k( 231) = ( 0.2054383 -0.0000000 -0.2054383), wk = 0.0026596 k( 232) = ( 0.2104490 -0.0000000 -0.2104490), wk = 0.0026596 k( 233) = ( 0.2154597 -0.0000000 -0.2154597), wk = 0.0026596 k( 234) = ( 0.2204704 -0.0000000 -0.2204704), wk = 0.0026596 k( 235) = ( 0.2254810 -0.0000000 -0.2254810), wk = 0.0026596 k( 236) = ( 0.2304917 0.0000000 -0.2304917), wk = 0.0026596 k( 237) = ( 0.2355024 0.0000000 -0.2355024), wk = 0.0026596 k( 238) = ( 0.2405131 0.0000000 -0.2405131), wk = 0.0026596 k( 239) = ( 0.2455238 0.0000000 -0.2455238), wk = 0.0026596 k( 240) = ( 0.2505345 -0.0000000 -0.2505345), wk = 0.0026596 k( 241) = ( 0.2555452 -0.0000000 -0.2555452), wk = 0.0026596 k( 242) = ( 0.2605559 -0.0000000 -0.2605559), wk = 0.0026596 k( 243) = ( 0.2655666 -0.0000000 -0.2655666), wk = 0.0026596 k( 244) = ( 0.2705772 -0.0000000 -0.2705772), wk = 0.0026596 k( 245) = ( 0.2755879 -0.0000000 -0.2755879), wk = 0.0026596 k( 246) = ( 0.2805986 -0.0000000 -0.2805986), wk = 0.0026596 k( 247) = ( 0.2856093 0.0000000 -0.2856093), wk = 0.0026596 k( 248) = ( 0.2906200 0.0000000 -0.2906200), wk = 0.0026596 k( 249) = ( 0.2956307 0.0000000 -0.2956307), wk = 0.0026596 k( 250) = ( 0.3006414 0.0000000 -0.3006414), wk = 0.0026596 k( 251) = ( 0.3056521 0.0000000 -0.3056521), wk = 0.0026596 k( 252) = ( 0.3106628 0.0000000 -0.3106628), wk = 0.0026596 k( 253) = ( 0.3156735 0.0000000 -0.3156735), wk = 0.0026596 k( 254) = ( 0.3206842 -0.0000000 -0.3206842), wk = 0.0026596 k( 255) = ( 0.3256948 -0.0000000 -0.3256948), wk = 0.0026596 k( 256) = ( 0.3307055 -0.0000000 -0.3307055), wk = 0.0026596 k( 257) = ( 0.3357162 -0.0000000 -0.3357162), wk = 0.0026596 k( 258) = ( 0.3407269 0.0000000 -0.3407269), wk = 0.0026596 k( 259) = ( 0.6592731 0.3407269 -0.0000000), wk = 0.0026596 k( 260) = ( 0.6542958 0.3457042 0.0000000), wk = 0.0026596 k( 261) = ( 0.6493185 0.3506815 -0.0000000), wk = 0.0026596 k( 262) = ( 0.6443412 0.3556588 0.0000000), wk = 0.0026596 k( 263) = ( 0.6393640 0.3606360 0.0000000), wk = 0.0026596 k( 264) = ( 0.6343867 0.3656133 -0.0000000), wk = 0.0026596 k( 265) = ( 0.6294094 0.3705906 -0.0000000), wk = 0.0026596 k( 266) = ( 0.6244321 0.3755679 -0.0000000), wk = 0.0026596 k( 267) = ( 0.6194548 0.3805452 -0.0000000), wk = 0.0026596 k( 268) = ( 0.6144775 0.3855225 -0.0000000), wk = 0.0026596 k( 269) = ( 0.6095002 0.3904997 -0.0000000), wk = 0.0026596 k( 270) = ( 0.6045230 0.3954770 -0.0000000), wk = 0.0026596 k( 271) = ( 0.5995457 0.4004543 -0.0000000), wk = 0.0026596 k( 272) = ( 0.5945684 0.4054316 0.0000000), wk = 0.0026596 k( 273) = ( 0.5895911 0.4104089 0.0000000), wk = 0.0026596 k( 274) = ( 0.5846138 0.4153862 0.0000000), wk = 0.0026596 k( 275) = ( 0.5796366 0.4203635 0.0000000), wk = 0.0026596 k( 276) = ( 0.5746593 0.4253407 0.0000000), wk = 0.0026596 k( 277) = ( 0.5696820 0.4303180 0.0000000), wk = 0.0026596 k( 278) = ( 0.5647047 0.4352953 -0.0000000), wk = 0.0026596 k( 279) = ( 0.5597274 0.4402726 0.0000000), wk = 0.0026596 k( 280) = ( 0.5547501 0.4452499 -0.0000000), wk = 0.0026596 k( 281) = ( 0.5497728 0.4502272 -0.0000000), wk = 0.0026596 k( 282) = ( 0.5447956 0.4552044 -0.0000000), wk = 0.0026596 k( 283) = ( 0.5398183 0.4601817 -0.0000000), wk = 0.0026596 k( 284) = ( 0.5348410 0.4651590 -0.0000000), wk = 0.0026596 k( 285) = ( 0.5298637 0.4701363 0.0000000), wk = 0.0026596 k( 286) = ( 0.5248864 0.4751136 -0.0000000), wk = 0.0026596 k( 287) = ( 0.5199091 0.4800909 0.0000000), wk = 0.0026596 k( 288) = ( 0.5149318 0.4850681 -0.0000000), wk = 0.0026596 k( 289) = ( 0.5099546 0.4900454 -0.0000000), wk = 0.0026596 k( 290) = ( 0.5049773 0.4950227 -0.0000000), wk = 0.0026596 k( 291) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026596 k( 292) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026596 k( 293) = ( 0.5176970 0.5176970 0.0201615), wk = 0.0026596 k( 294) = ( 0.5353940 0.5353940 0.0403231), wk = 0.0026596 k( 295) = ( 0.5530910 0.5530910 0.0604846), wk = 0.0026596 k( 296) = ( 0.5707880 0.5707880 0.0806461), wk = 0.0026596 k( 297) = ( 0.5884850 0.5884850 0.1008077), wk = 0.0026596 k( 298) = ( 0.6061821 0.6061821 0.1209692), wk = 0.0026596 k( 299) = ( 0.6238791 0.6238791 0.1411307), wk = 0.0026596 k( 300) = ( 0.6415761 0.6415761 0.1612923), wk = 0.0026596 k( 301) = ( 0.6592731 0.6592731 0.1814538), wk = 0.0026596 k( 302) = ( 0.6592731 0.6592731 0.1814538), wk = 0.0026596 k( 303) = ( 0.6563772 0.6563772 0.1872456), wk = 0.0026596 k( 304) = ( 0.6534813 0.6534814 0.1930373), wk = 0.0026596 k( 305) = ( 0.6505855 0.6505855 0.1988291), wk = 0.0026596 k( 306) = ( 0.6476896 0.6476896 0.2046208), wk = 0.0026596 k( 307) = ( 0.6447937 0.6447937 0.2104126), wk = 0.0026596 k( 308) = ( 0.6418978 0.6418978 0.2162043), wk = 0.0026596 k( 309) = ( 0.6390020 0.6390020 0.2219961), wk = 0.0026596 k( 310) = ( 0.6361061 0.6361061 0.2277878), wk = 0.0026596 k( 311) = ( 0.6332102 0.6332102 0.2335795), wk = 0.0026596 k( 312) = ( 0.6303144 0.6303143 0.2393713), wk = 0.0026596 k( 313) = ( 0.6274185 0.6274185 0.2451630), wk = 0.0026596 k( 314) = ( 0.6245226 0.6245226 0.2509548), wk = 0.0026596 k( 315) = ( 0.6216267 0.6216267 0.2567465), wk = 0.0026596 k( 316) = ( 0.6187309 0.6187309 0.2625383), wk = 0.0026596 k( 317) = ( 0.6158350 0.6158350 0.2683300), wk = 0.0026596 k( 318) = ( 0.6129391 0.6129391 0.2741218), wk = 0.0026596 k( 319) = ( 0.6100432 0.6100432 0.2799135), wk = 0.0026596 k( 320) = ( 0.6071474 0.6071474 0.2857053), wk = 0.0026596 k( 321) = ( 0.6042515 0.6042515 0.2914970), wk = 0.0026596 k( 322) = ( 0.6013556 0.6013556 0.2972888), wk = 0.0026596 k( 323) = ( 0.5984597 0.5984597 0.3030805), wk = 0.0026596 k( 324) = ( 0.5955639 0.5955639 0.3088723), wk = 0.0026596 k( 325) = ( 0.5926680 0.5926680 0.3146640), wk = 0.0026596 k( 326) = ( 0.5897721 0.5897721 0.3204558), wk = 0.0026596 k( 327) = ( 0.5868762 0.5868762 0.3262475), wk = 0.0026596 k( 328) = ( 0.5839804 0.5839804 0.3320393), wk = 0.0026596 k( 329) = ( 0.5810845 0.5810845 0.3378310), wk = 0.0026596 k( 330) = ( 0.5781886 0.5781886 0.3436228), wk = 0.0026596 k( 331) = ( 0.5752927 0.5752927 0.3494145), wk = 0.0026596 k( 332) = ( 0.5723969 0.5723969 0.3552063), wk = 0.0026596 k( 333) = ( 0.5695010 0.5695010 0.3609980), wk = 0.0026596 k( 334) = ( 0.5666051 0.5666051 0.3667898), wk = 0.0026596 k( 335) = ( 0.5637092 0.5637092 0.3725815), wk = 0.0026596 k( 336) = ( 0.5608134 0.5608134 0.3783733), wk = 0.0026596 k( 337) = ( 0.5579175 0.5579175 0.3841650), wk = 0.0026596 k( 338) = ( 0.5550216 0.5550216 0.3899568), wk = 0.0026596 k( 339) = ( 0.5521257 0.5521257 0.3957485), wk = 0.0026596 k( 340) = ( 0.5492299 0.5492299 0.4015403), wk = 0.0026596 k( 341) = ( 0.5463340 0.5463340 0.4073320), wk = 0.0026596 k( 342) = ( 0.5434381 0.5434381 0.4131238), wk = 0.0026596 k( 343) = ( 0.5405422 0.5405422 0.4189155), wk = 0.0026596 k( 344) = ( 0.5376464 0.5376464 0.4247073), wk = 0.0026596 k( 345) = ( 0.5347505 0.5347505 0.4304990), wk = 0.0026596 k( 346) = ( 0.5318546 0.5318546 0.4362908), wk = 0.0026596 k( 347) = ( 0.5289587 0.5289587 0.4420825), wk = 0.0026596 k( 348) = ( 0.5260629 0.5260629 0.4478743), wk = 0.0026596 k( 349) = ( 0.5231670 0.5231670 0.4536660), wk = 0.0026596 k( 350) = ( 0.5202711 0.5202711 0.4594578), wk = 0.0026596 k( 351) = ( 0.5173752 0.5173752 0.4652495), wk = 0.0026596 k( 352) = ( 0.5144794 0.5144794 0.4710413), wk = 0.0026596 k( 353) = ( 0.5115835 0.5115835 0.4768330), wk = 0.0026596 k( 354) = ( 0.5086876 0.5086876 0.4826247), wk = 0.0026596 k( 355) = ( 0.5057917 0.5057917 0.4884165), wk = 0.0026596 k( 356) = ( 0.5028959 0.5028959 0.4942082), wk = 0.0026596 k( 357) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026596 k( 358) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026596 k( 359) = ( 0.5176970 0.0189293 0.0189293), wk = 0.0026596 k( 360) = ( 0.5353940 0.0378585 0.0378585), wk = 0.0026596 k( 361) = ( 0.5530910 0.0567878 0.0567878), wk = 0.0026596 k( 362) = ( 0.5707880 0.0757171 0.0757171), wk = 0.0026596 k( 363) = ( 0.5884850 0.0946464 0.0946464), wk = 0.0026596 k( 364) = ( 0.6061821 0.1135756 0.1135756), wk = 0.0026596 k( 365) = ( 0.6238791 0.1325049 0.1325049), wk = 0.0026596 k( 366) = ( 0.6415761 0.1514342 0.1514342), wk = 0.0026596 k( 367) = ( 0.6592731 0.1703635 0.1703634), wk = 0.0026596 k( 368) = ( 0.6769701 0.1892927 0.1892927), wk = 0.0026596 k( 369) = ( 0.6946671 0.2082220 0.2082220), wk = 0.0026596 k( 370) = ( 0.7123641 0.2271513 0.2271513), wk = 0.0026596 k( 371) = ( 0.7300611 0.2460805 0.2460805), wk = 0.0026596 k( 372) = ( 0.7477582 0.2650098 0.2650098), wk = 0.0026596 k( 373) = ( 0.7654552 0.2839391 0.2839391), wk = 0.0026596 k( 374) = ( 0.7831522 0.3028684 0.3028684), wk = 0.0026596 k( 375) = ( 0.8008492 0.3217976 0.3217976), wk = 0.0026596 k( 376) = ( 0.8185462 0.3407269 0.3407269), wk = 0.0026596 Dense grid: 32657 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 17261 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 140, 34) NL pseudopotentials 0.11 Mb ( 70, 102) Each V/rho on FFT grid 0.24 Mb ( 15552) Each G-vector array 0.01 Mb ( 1021) G-vector shells 0.01 Mb ( 855) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.29 Mb ( 140, 136) Each subspace H/S matrix 0.28 Mb ( 136, 136) Each matrix 0.11 Mb ( 102, 2, 34) The potential is recalculated from file : ./MoS2.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 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.9 secs Computing kpt #: 7 total cpu time spent up to now is 6.4 secs Computing kpt #: 8 total cpu time spent up to now is 6.8 secs Computing kpt #: 9 total cpu time spent up to now is 7.3 secs Computing kpt #: 10 total cpu time spent up to now is 7.8 secs Computing kpt #: 11 total cpu time spent up to now is 8.2 secs Computing kpt #: 12 total cpu time spent up to now is 8.7 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 11.0 secs Computing kpt #: 18 total cpu time spent up to now is 11.5 secs Computing kpt #: 19 total cpu time spent up to now is 11.9 secs Computing kpt #: 20 total cpu time spent up to now is 12.4 secs Computing kpt #: 21 total cpu time spent up to now is 12.9 secs Computing kpt #: 22 total cpu time spent up to now is 13.3 secs Computing kpt #: 23 total cpu time spent up to now is 13.8 secs Computing kpt #: 24 total cpu time spent up to now is 14.2 secs Computing kpt #: 25 total cpu time spent up to now is 14.7 secs Computing kpt #: 26 total cpu time spent up to now is 15.2 secs Computing kpt #: 27 total cpu time spent up to now is 15.6 secs Computing kpt #: 28 total cpu time spent up to now is 16.1 secs Computing kpt #: 29 total cpu time spent up to now is 16.6 secs Computing kpt #: 30 total cpu time spent up to now is 17.1 secs Computing kpt #: 31 total cpu time spent up to now is 17.5 secs Computing kpt #: 32 total cpu time spent up to now is 18.0 secs Computing kpt #: 33 total cpu time spent up to now is 18.5 secs Computing kpt #: 34 total cpu time spent up to now is 19.0 secs Computing kpt #: 35 total cpu time spent up to now is 19.5 secs Computing kpt #: 36 total cpu time spent up to now is 20.0 secs Computing kpt #: 37 total cpu time spent up to now is 20.5 secs Computing kpt #: 38 total cpu time spent up to now is 21.0 secs Computing kpt #: 39 total cpu time spent up to now is 21.5 secs Computing kpt #: 40 total cpu time spent up to now is 22.0 secs Computing kpt #: 41 total cpu time spent up to now is 22.5 secs Computing kpt #: 42 total cpu time spent up to now is 23.0 secs Computing kpt #: 43 total cpu time spent up to now is 23.5 secs Computing kpt #: 44 total cpu time spent up to now is 24.0 secs Computing kpt #: 45 total cpu time spent up to now is 24.5 secs Computing kpt #: 46 total cpu time spent up to now is 25.0 secs Computing kpt #: 47 total cpu time spent up to now is 25.5 secs Computing kpt #: 48 total cpu time spent up to now is 26.0 secs Computing kpt #: 49 total cpu time spent up to now is 26.5 secs Computing kpt #: 50 total cpu time spent up to now is 27.0 secs Computing kpt #: 51 total cpu time spent up to now is 27.5 secs Computing kpt #: 52 total cpu time spent up to now is 28.0 secs Computing kpt #: 53 total cpu time spent up to now is 28.6 secs Computing kpt #: 54 total cpu time spent up to now is 29.1 secs Computing kpt #: 55 total cpu time spent up to now is 29.6 secs Computing kpt #: 56 total cpu time spent up to now is 30.1 secs Computing kpt #: 57 total cpu time spent up to now is 30.6 secs Computing kpt #: 58 total cpu time spent up to now is 31.1 secs Computing kpt #: 59 total cpu time spent up to now is 31.6 secs Computing kpt #: 60 total cpu time spent up to now is 32.1 secs Computing kpt #: 61 total cpu time spent up to now is 32.6 secs Computing kpt #: 62 total cpu time spent up to now is 33.2 secs Computing kpt #: 63 total cpu time spent up to now is 33.7 secs Computing kpt #: 64 total cpu time spent up to now is 34.2 secs Computing kpt #: 65 total cpu time spent up to now is 34.7 secs Computing kpt #: 66 total cpu time spent up to now is 35.2 secs Computing kpt #: 67 total cpu time spent up to now is 35.7 secs Computing kpt #: 68 total cpu time spent up to now is 36.2 secs Computing kpt #: 69 total cpu time spent up to now is 36.8 secs Computing kpt #: 70 total cpu time spent up to now is 37.3 secs Computing kpt #: 71 total cpu time spent up to now is 37.8 secs Computing kpt #: 72 total cpu time spent up to now is 38.3 secs Computing kpt #: 73 total cpu time spent up to now is 38.9 secs Computing kpt #: 74 total cpu time spent up to now is 39.4 secs Computing kpt #: 75 total cpu time spent up to now is 39.9 secs Computing kpt #: 76 total cpu time spent up to now is 40.5 secs Computing kpt #: 77 total cpu time spent up to now is 41.0 secs Computing kpt #: 78 total cpu time spent up to now is 41.5 secs Computing kpt #: 79 total cpu time spent up to now is 42.1 secs Computing kpt #: 80 total cpu time spent up to now is 42.6 secs Computing kpt #: 81 total cpu time spent up to now is 43.1 secs Computing kpt #: 82 total cpu time spent up to now is 43.6 secs Computing kpt #: 83 total cpu time spent up to now is 44.1 secs Computing kpt #: 84 total cpu time spent up to now is 44.7 secs Computing kpt #: 85 total cpu time spent up to now is 45.3 secs Computing kpt #: 86 total cpu time spent up to now is 45.8 secs Computing kpt #: 87 total cpu time spent up to now is 46.4 secs Computing kpt #: 88 total cpu time spent up to now is 47.0 secs Computing kpt #: 89 total cpu time spent up to now is 47.6 secs Computing kpt #: 90 total cpu time spent up to now is 48.1 secs Computing kpt #: 91 total cpu time spent up to now is 48.7 secs Computing kpt #: 92 total cpu time spent up to now is 49.2 secs Computing kpt #: 93 total cpu time spent up to now is 49.7 secs Computing kpt #: 94 total cpu time spent up to now is 50.2 secs Computing kpt #: 95 total cpu time spent up to now is 50.7 secs Computing kpt #: 96 total cpu time spent up to now is 51.2 secs Computing kpt #: 97 total cpu time spent up to now is 51.6 secs Computing kpt #: 98 total cpu time spent up to now is 52.1 secs Computing kpt #: 99 total cpu time spent up to now is 52.6 secs Computing kpt #: 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Computing kpt #: 131 total cpu time spent up to now is 68.4 secs Computing kpt #: 132 total cpu time spent up to now is 68.9 secs Computing kpt #: 133 total cpu time spent up to now is 69.3 secs Computing kpt #: 134 total cpu time spent up to now is 69.8 secs Computing kpt #: 135 total cpu time spent up to now is 70.3 secs Computing kpt #: 136 total cpu time spent up to now is 70.8 secs Computing kpt #: 137 total cpu time spent up to now is 71.3 secs Computing kpt #: 138 total cpu time spent up to now is 71.7 secs Computing kpt #: 139 total cpu time spent up to now is 72.2 secs Computing kpt #: 140 total cpu time spent up to now is 72.7 secs Computing kpt #: 141 total cpu time spent up to now is 73.1 secs Computing kpt #: 142 total cpu time spent up to now is 73.6 secs Computing kpt #: 143 total cpu time spent up to now is 74.1 secs Computing kpt #: 144 total cpu time spent up to now is 74.5 secs Computing kpt #: 145 total cpu time spent up to now is 75.0 secs Computing kpt #: 146 total cpu time spent up to now is 75.5 secs Computing kpt #: 147 total cpu time spent up to now is 76.0 secs Computing kpt #: 148 total cpu time spent up to now is 76.4 secs Computing kpt #: 149 total cpu time spent up to now is 76.9 secs Computing kpt #: 150 total cpu time spent up to now is 77.3 secs Computing kpt #: 151 total cpu time spent up to now is 77.8 secs Computing kpt #: 152 total cpu time spent up to now is 78.3 secs Computing kpt #: 153 total cpu time spent up to now is 78.7 secs Computing kpt #: 154 total cpu time spent up to now is 79.2 secs Computing kpt #: 155 total cpu time spent up to now is 79.7 secs Computing kpt #: 156 total cpu time spent up to now is 80.1 secs Computing kpt #: 157 total cpu time spent up to now is 80.6 secs Computing kpt #: 158 total cpu time spent up to now is 81.0 secs Computing kpt #: 159 total cpu time spent up to now is 81.5 secs Computing kpt #: 160 total cpu time spent up to now is 81.9 secs Computing kpt #: 161 total cpu time spent up to now is 82.4 secs Computing kpt #: 162 total cpu time spent up to now is 82.8 secs Computing kpt #: 163 total cpu time spent up to now is 83.3 secs Computing kpt #: 164 total cpu time spent up to now is 83.7 secs Computing kpt #: 165 total cpu time spent up to now is 84.2 secs Computing kpt #: 166 total cpu time spent up to now is 84.6 secs Computing kpt #: 167 total cpu time spent up to now is 85.1 secs Computing kpt #: 168 total cpu time spent up to now is 85.5 secs Computing kpt #: 169 total cpu time spent up to now is 86.0 secs Computing kpt #: 170 total cpu time spent up to now is 86.4 secs Computing kpt #: 171 total cpu time spent up to now is 86.9 secs Computing kpt #: 172 total cpu time spent up to now is 87.3 secs Computing kpt #: 173 total cpu time spent up to now is 87.8 secs Computing kpt #: 174 total cpu time spent up to now is 88.2 secs Computing kpt #: 175 total cpu time spent up to now is 88.7 secs Computing kpt #: 176 total cpu time spent up to now is 89.1 secs Computing kpt #: 177 total cpu time spent up to now is 89.6 secs Computing kpt #: 178 total cpu time spent up to now is 90.0 secs Computing kpt #: 179 total cpu time spent up to now is 90.5 secs Computing kpt #: 180 total cpu time spent up to now is 90.9 secs Computing kpt #: 181 total cpu time spent up to now is 91.4 secs Computing kpt #: 182 total cpu time spent up to now is 91.8 secs Computing kpt #: 183 total cpu time spent up to now is 92.3 secs Computing kpt #: 184 total cpu time spent up to now is 92.7 secs Computing kpt #: 185 total cpu time spent up to now is 93.2 secs Computing kpt #: 186 total cpu time spent up to now is 93.6 secs Computing kpt #: 187 total cpu time spent up to now is 94.0 secs Computing kpt #: 188 total cpu time spent up to now is 94.5 secs Computing kpt #: 189 total cpu time spent up to now is 94.9 secs Computing kpt #: 190 total cpu time spent up to now is 95.4 secs Computing kpt #: 191 total cpu time spent up to now is 95.8 secs Computing kpt #: 192 total cpu time spent up to now is 96.3 secs Computing kpt #: 193 total cpu time spent up to now is 96.7 secs Computing kpt #: 194 total cpu time spent up to now is 97.2 secs Computing kpt #: 195 total cpu time spent up to now is 97.6 secs Computing kpt #: 196 total cpu time spent up to now is 98.1 secs Computing kpt #: 197 total cpu time spent up to now is 98.5 secs Computing kpt #: 198 total cpu time spent up to now is 99.0 secs Computing kpt #: 199 total cpu time spent up to now is 99.5 secs Computing kpt #: 200 total cpu time spent up to now is 99.9 secs Computing kpt #: 201 total cpu time spent up to now is 100.4 secs Computing kpt #: 202 total cpu time spent up to now is 100.8 secs Computing kpt #: 203 total cpu time spent up to now is 101.3 secs Computing kpt #: 204 total cpu time spent up to now is 101.8 secs Computing kpt #: 205 total cpu time spent up to now is 102.2 secs Computing kpt #: 206 total cpu time spent up to now is 102.7 secs Computing kpt #: 207 total cpu time spent up to now is 103.2 secs Computing kpt #: 208 total cpu time spent up to now is 103.6 secs Computing kpt #: 209 total cpu time spent up to now is 104.1 secs Computing kpt #: 210 total cpu time spent up to now is 104.6 secs Computing kpt #: 211 total cpu time spent up to now is 105.0 secs Computing kpt #: 212 total cpu time spent up to now is 105.5 secs Computing kpt #: 213 total cpu time spent up to now is 106.0 secs Computing kpt #: 214 total cpu time spent up to now is 106.4 secs Computing kpt #: 215 total cpu time spent up to now is 106.9 secs Computing kpt #: 216 total cpu time spent up to now is 107.4 secs Computing kpt #: 217 total cpu time spent up to now is 107.8 secs Computing kpt #: 218 total cpu time spent up to now is 108.3 secs Computing kpt #: 219 total cpu time spent up to now is 108.8 secs Computing kpt #: 220 total cpu time spent up to now is 109.2 secs Computing kpt #: 221 total cpu time spent up to now is 109.7 secs Computing kpt #: 222 total cpu time spent up to now is 110.2 secs Computing kpt #: 223 total cpu time spent up to now is 110.7 secs Computing kpt #: 224 total cpu time spent up to now is 111.1 secs Computing kpt #: 225 total cpu time spent up to now is 111.6 secs Computing kpt #: 226 total cpu time spent up to now is 112.1 secs Computing kpt #: 227 total cpu time spent up to now is 112.6 secs Computing kpt #: 228 total cpu time spent up to now is 113.0 secs Computing kpt #: 229 total cpu time spent up to now is 113.5 secs Computing kpt #: 230 total cpu time spent up to now is 114.0 secs Computing kpt #: 231 total cpu time spent up to now is 114.5 secs Computing kpt #: 232 total cpu time spent up to now is 115.0 secs Computing kpt #: 233 total cpu time spent up to now is 115.5 secs Computing kpt #: 234 total cpu time spent up to now is 116.0 secs Computing kpt #: 235 total cpu time spent up to now is 116.4 secs Computing kpt #: 236 total cpu time spent up to now is 116.9 secs Computing kpt #: 237 total cpu time spent up to now is 117.4 secs Computing kpt #: 238 total cpu time spent up to now is 117.9 secs Computing kpt #: 239 total cpu time spent up to now is 118.4 secs Computing kpt #: 240 total cpu time spent up to now is 118.9 secs Computing kpt #: 241 total cpu time spent up to now is 119.3 secs Computing kpt #: 242 total cpu time spent up to now is 119.8 secs Computing kpt #: 243 total cpu time spent up to now is 120.3 secs Computing kpt #: 244 total cpu time spent up to now is 120.8 secs Computing kpt #: 245 total cpu time spent up to now is 121.3 secs Computing kpt #: 246 total cpu time spent up to now is 121.8 secs Computing kpt #: 247 total cpu time spent up to now is 122.3 secs Computing kpt #: 248 total cpu time spent up to now is 122.8 secs Computing kpt #: 249 total cpu time spent up to now is 123.3 secs Computing kpt #: 250 total cpu time spent up to now is 123.7 secs Computing kpt #: 251 total cpu time spent up to now is 124.2 secs Computing kpt #: 252 total cpu time spent up to now is 124.7 secs Computing kpt #: 253 total cpu time spent up to now is 125.2 secs Computing kpt #: 254 total cpu time spent up to now is 125.7 secs Computing kpt #: 255 total cpu time spent up to now is 126.1 secs Computing kpt #: 256 total cpu time spent up to now is 126.6 secs Computing kpt #: 257 total cpu time spent up to now is 127.1 secs Computing kpt #: 258 total cpu time spent up to now is 127.6 secs Computing kpt #: 259 total cpu time spent up to now is 128.1 secs Computing kpt #: 260 total cpu time spent up to now is 128.6 secs Computing kpt #: 261 total cpu time spent up to now is 129.1 secs Computing kpt #: 262 total cpu time spent up to now is 129.6 secs Computing kpt #: 263 total cpu time spent up to now is 130.0 secs Computing kpt #: 264 total cpu time spent up to now is 130.5 secs Computing kpt #: 265 total cpu time spent up to now is 131.0 secs Computing kpt #: 266 total cpu time spent up to now is 131.5 secs Computing kpt #: 267 total cpu time spent up to now is 132.0 secs Computing kpt #: 268 total cpu time spent up to now is 132.5 secs Computing kpt #: 269 total cpu time spent up to now is 132.9 secs Computing kpt #: 270 total cpu time spent up to now is 133.4 secs Computing kpt #: 271 total cpu time spent up to now is 133.9 secs Computing kpt #: 272 total cpu time spent up to now is 134.4 secs Computing kpt #: 273 total cpu time spent up to now is 134.9 secs Computing kpt #: 274 total cpu time spent up to now is 135.4 secs Computing kpt #: 275 total cpu time spent up to now is 135.9 secs Computing kpt #: 276 total cpu time spent up to now is 136.4 secs Computing kpt #: 277 total cpu time spent up to now is 136.9 secs Computing kpt #: 278 total cpu time spent up to now is 137.4 secs Computing kpt #: 279 total cpu time spent up to now is 137.9 secs Computing kpt #: 280 total cpu time spent up to now is 138.4 secs Computing kpt #: 281 total cpu time spent up to now is 138.9 secs Computing kpt #: 282 total cpu time spent up to now is 139.4 secs Computing kpt #: 283 total cpu time spent up to now is 139.9 secs Computing kpt #: 284 total cpu time spent up to now is 140.4 secs Computing kpt #: 285 total cpu time spent up to now is 140.9 secs Computing kpt #: 286 total cpu time spent up to now is 141.4 secs Computing kpt #: 287 total cpu time spent up to now is 141.9 secs Computing kpt #: 288 total cpu time spent up to now is 142.3 secs Computing kpt #: 289 total cpu time spent up to now is 142.8 secs Computing kpt #: 290 total cpu time spent up to now is 143.3 secs Computing kpt #: 291 total cpu time spent up to now is 143.8 secs Computing kpt #: 292 total cpu time spent up to now is 144.2 secs Computing kpt #: 293 total cpu time spent up to now is 144.7 secs Computing kpt #: 294 total cpu time spent up to now is 145.2 secs Computing kpt #: 295 total cpu time spent up to now is 145.7 secs Computing kpt #: 296 total cpu time spent up to now is 146.2 secs Computing kpt #: 297 total cpu time spent up to now is 146.7 secs Computing kpt #: 298 total cpu time spent up to now is 147.2 secs Computing kpt #: 299 total cpu time spent up to now is 147.6 secs Computing kpt #: 300 total cpu time spent up to now is 148.1 secs Computing kpt #: 301 total cpu time spent up to now is 148.6 secs Computing kpt #: 302 total cpu time spent up to now is 149.1 secs Computing kpt #: 303 total cpu time spent up to now is 149.7 secs Computing kpt #: 304 total cpu time spent up to now is 150.2 secs Computing kpt #: 305 total cpu time spent up to now is 150.6 secs Computing kpt #: 306 total cpu time spent up to now is 151.1 secs Computing kpt #: 307 total cpu time spent up to now is 151.6 secs Computing kpt #: 308 total cpu time spent up to now is 152.1 secs Computing kpt #: 309 total cpu time spent up to now is 152.6 secs Computing kpt #: 310 total cpu time spent up to now is 153.1 secs Computing kpt #: 311 total cpu time spent up to now is 153.6 secs Computing kpt #: 312 total cpu time spent up to now is 154.1 secs Computing kpt #: 313 total cpu time spent up to now is 154.6 secs Computing kpt #: 314 total cpu time spent up to now is 155.1 secs Computing kpt #: 315 total cpu time spent up to now is 155.6 secs Computing kpt #: 316 total cpu time spent up to now is 156.1 secs Computing kpt #: 317 total cpu time spent up to now is 156.6 secs Computing kpt #: 318 total cpu time spent up to now is 157.1 secs Computing kpt #: 319 total cpu time spent up to now is 157.6 secs Computing kpt #: 320 total cpu time spent up to now is 158.0 secs Computing kpt #: 321 total cpu time spent up to now is 158.5 secs Computing kpt #: 322 total cpu time spent up to now is 159.0 secs Computing kpt #: 323 total cpu time spent up to now is 159.5 secs Computing kpt #: 324 total cpu time spent up to now is 160.0 secs Computing kpt #: 325 total cpu time spent up to now is 160.5 secs Computing kpt #: 326 total cpu time spent up to now is 160.9 secs Computing kpt #: 327 total cpu time spent up to now is 161.4 secs Computing kpt #: 328 total cpu time spent up to now is 161.9 secs Computing kpt #: 329 total cpu time spent up to now is 162.4 secs Computing kpt #: 330 total cpu time spent up to now is 162.8 secs Computing kpt #: 331 total cpu time spent up to now is 163.3 secs Computing kpt #: 332 total cpu time spent up to now is 163.8 secs Computing kpt #: 333 total cpu time spent up to now is 164.2 secs Computing kpt #: 334 total cpu time spent up to now is 164.7 secs Computing kpt #: 335 total cpu time spent up to now is 165.1 secs Computing kpt #: 336 total cpu time spent up to now is 165.6 secs Computing kpt #: 337 total cpu time spent up to now is 166.1 secs Computing kpt #: 338 total cpu time spent up to now is 166.5 secs Computing kpt #: 339 total cpu time spent up to now is 167.0 secs Computing kpt #: 340 total cpu time spent up to now is 167.4 secs Computing kpt #: 341 total cpu time spent up to now is 167.9 secs Computing kpt #: 342 total cpu time spent up to now is 168.4 secs Computing kpt #: 343 total cpu time spent up to now is 168.8 secs Computing kpt #: 344 total cpu time spent up to now is 169.3 secs Computing kpt #: 345 total cpu time spent up to now is 169.8 secs Computing kpt #: 346 total cpu time spent up to now is 170.2 secs Computing kpt #: 347 total cpu time spent up to now is 170.7 secs Computing kpt #: 348 total cpu time spent up to now is 171.1 secs Computing kpt #: 349 total cpu time spent up to now is 171.6 secs Computing kpt #: 350 total cpu time spent up to now is 172.0 secs Computing kpt #: 351 total cpu time spent up to now is 172.5 secs Computing kpt #: 352 total cpu time spent up to now is 173.0 secs Computing kpt #: 353 total cpu time spent up to now is 173.4 secs Computing kpt #: 354 total cpu time spent up to now is 173.9 secs Computing kpt #: 355 total cpu time spent up to now is 174.3 secs Computing kpt #: 356 total cpu time spent up to now is 174.8 secs Computing kpt #: 357 total cpu time spent up to now is 175.2 secs Computing kpt #: 358 total cpu time spent up to now is 175.7 secs Computing kpt #: 359 total cpu time spent up to now is 176.2 secs Computing kpt #: 360 total cpu time spent up to now is 176.7 secs Computing kpt #: 361 total cpu time spent up to now is 177.2 secs Computing kpt #: 362 total cpu time spent up to now is 177.8 secs Computing kpt #: 363 total cpu time spent up to now is 178.3 secs Computing kpt #: 364 total cpu time spent up to now is 178.8 secs Computing kpt #: 365 total cpu time spent up to now is 179.3 secs Computing kpt #: 366 total cpu time spent up to now is 179.8 secs Computing kpt #: 367 total cpu time spent up to now is 180.3 secs Computing kpt #: 368 total cpu time spent up to now is 180.8 secs Computing kpt #: 369 total cpu time spent up to now is 181.3 secs Computing kpt #: 370 total cpu time spent up to now is 181.9 secs Computing kpt #: 371 total cpu time spent up to now is 182.4 secs Computing kpt #: 372 total cpu time spent up to now is 182.9 secs Computing kpt #: 373 total cpu time spent up to now is 183.4 secs Computing kpt #: 374 total cpu time spent up to now is 183.9 secs Computing kpt #: 375 total cpu time spent up to now is 184.4 secs Computing kpt #: 376 total cpu time spent up to now is 184.9 secs ethr = 3.85E-11, avg # of iterations = 15.9 total cpu time spent up to now is 184.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2169 PWs) bands (ev): -50.4171 -50.4171 -26.1484 -26.1484 -23.7207 -23.7207 -23.5569 -23.5569 -3.8672 -3.8672 -2.2145 -2.2145 4.2049 4.2049 7.8550 7.8550 7.9235 7.9235 8.9186 8.9186 9.0058 9.0058 9.8716 9.8716 9.9250 9.9250 13.0945 13.0945 13.1757 13.1757 13.4875 13.4875 13.4876 13.4876 k = 0.0086-0.0158-0.0095 ( 2163 PWs) bands (ev): -50.4170 -50.4170 -26.1484 -26.1484 -23.7207 -23.7207 -23.5570 -23.5570 -3.8661 -3.8661 -2.2142 -2.2142 4.2063 4.2063 7.8542 7.8543 7.9228 7.9228 8.9149 8.9151 9.0020 9.0021 9.8669 9.8698 9.9299 9.9326 13.0948 13.0949 13.1756 13.1762 13.4822 13.4837 13.4863 13.4872 k = 0.0172-0.0316-0.0190 ( 2162 PWs) bands (ev): -50.4169 -50.4169 -26.1486 -26.1486 -23.7208 -23.7208 -23.5576 -23.5576 -3.8626 -3.8626 -2.2130 -2.2130 4.2105 4.2105 7.8512 7.8513 7.9213 7.9213 8.9037 8.9042 8.9912 8.9913 9.8595 9.8638 9.9448 9.9487 13.0954 13.0959 13.1767 13.1775 13.4686 13.4719 13.4822 13.4843 k = 0.0259-0.0474-0.0285 ( 2164 PWs) bands (ev): -50.4168 -50.4168 -26.1490 -26.1490 -23.7210 -23.7210 -23.5586 -23.5586 -3.8568 -3.8568 -2.2111 -2.2111 4.2175 4.2176 7.8443 7.8445 7.9208 7.9209 8.8844 8.8850 8.9748 8.9749 9.8524 9.8573 9.9651 9.9694 13.0951 13.0966 13.1799 13.1804 13.4469 13.4521 13.4758 13.4792 k = 0.0345-0.0632-0.0381 ( 2158 PWs) bands (ev): -50.4165 -50.4165 -26.1495 -26.1495 -23.7212 -23.7212 -23.5599 -23.5599 -3.8488 -3.8488 -2.2085 -2.2085 4.2273 4.2273 7.8316 7.8319 7.9233 7.9234 8.8561 8.8571 8.9547 8.9547 9.8467 9.8519 9.9880 9.9925 13.0928 13.0960 13.1863 13.1868 13.4175 13.4249 13.4672 13.4720 k = 0.0431-0.0790-0.0476 ( 2154 PWs) bands (ev): -50.4162 -50.4162 -26.1502 -26.1502 -23.7215 -23.7215 -23.5616 -23.5616 -3.8384 -3.8384 -2.2051 -2.2051 4.2398 4.2399 7.8125 7.8128 7.9296 7.9298 8.8190 8.8204 8.9320 8.9321 9.8423 9.8477 10.0121 10.0165 13.0877 13.0934 13.1958 13.1980 13.3811 13.3911 13.4563 13.4630 k = 0.0517-0.0948-0.0571 ( 2156 PWs) bands (ev): -50.4159 -50.4159 -26.1510 -26.1510 -23.7219 -23.7219 -23.5637 -23.5637 -3.8258 -3.8258 -2.2009 -2.2009 4.2550 4.2551 7.7871 7.7875 7.9397 7.9399 8.7740 8.7756 8.9072 8.9075 9.8390 9.8445 10.0359 10.0402 13.0803 13.0889 13.2089 13.2128 13.3387 13.3522 13.4434 13.4523 k = 0.0603-0.1106-0.0666 ( 2158 PWs) bands (ev): -50.4156 -50.4156 -26.1520 -26.1520 -23.7223 -23.7223 -23.5662 -23.5662 -3.8109 -3.8109 -2.1960 -2.1960 4.2728 4.2729 7.7562 7.7567 7.9529 7.9532 8.7222 8.7241 8.8804 8.8807 9.8365 9.8422 10.0584 10.0625 13.0709 13.0832 13.2230 13.2283 13.2928 13.3119 13.4286 13.4407 k = 0.0690-0.1264-0.0761 ( 2159 PWs) bands (ev): -50.4151 -50.4151 -26.1532 -26.1532 -23.7228 -23.7228 -23.5689 -23.5689 -3.7938 -3.7938 -2.1904 -2.1904 4.2932 4.2933 7.7204 7.7209 7.9691 7.9694 8.6649 8.6671 8.8514 8.8518 9.8346 9.8404 10.0786 10.0825 13.0602 13.0773 13.2183 13.2275 13.2630 13.2878 13.4121 13.4288 k = 0.0776-0.1421-0.0856 ( 2157 PWs) bands (ev): -50.4146 -50.4146 -26.1545 -26.1544 -23.7234 -23.7234 -23.5720 -23.5720 -3.7745 -3.7745 -2.1841 -2.1841 4.3161 4.3162 7.6801 7.6807 7.9878 7.9882 8.6033 8.6057 8.8202 8.8206 9.8328 9.8388 10.0955 10.0992 13.0475 13.0720 13.1696 13.1914 13.2731 13.3005 13.3945 13.4186 k = 0.0862-0.1579-0.0951 ( 2157 PWs) bands (ev): -50.4141 -50.4141 -26.1559 -26.1559 -23.7241 -23.7241 -23.5754 -23.5754 -3.7530 -3.7530 -2.1770 -2.1770 4.3414 4.3415 7.6359 7.6366 8.0090 8.0094 8.5380 8.5408 8.7867 8.7873 9.8310 9.8370 10.1086 10.1120 13.0298 13.0667 13.1118 13.1479 13.2869 13.3242 13.3779 13.4135 k = 0.0948-0.1737-0.1047 ( 2157 PWs) bands (ev): -50.4135 -50.4135 -26.1574 -26.1574 -23.7249 -23.7248 -23.5791 -23.5791 -3.7294 -3.7294 -2.1693 -2.1693 4.3689 4.3691 7.5881 7.5889 8.0324 8.0329 8.4699 8.4730 8.7511 8.7518 9.8288 9.8349 10.1172 10.1201 13.0003 13.0382 13.0762 13.1143 13.2927 13.3354 13.3769 13.4185 k = 0.1034-0.1895-0.1142 ( 2162 PWs) bands (ev): -50.4130 -50.4130 -26.1592 -26.1591 -23.7258 -23.7258 -23.5831 -23.5831 -3.7036 -3.7036 -2.1608 -2.1608 4.3986 4.3989 7.5370 7.5380 8.0578 8.0585 8.3994 8.4028 8.7135 8.7143 9.8259 9.8321 10.1209 10.1233 12.9549 12.9759 13.0758 13.0977 13.2872 13.3201 13.4040 13.4360 k = 0.1121-0.2053-0.1237 ( 2158 PWs) bands (ev): -50.4122 -50.4122 -26.1610 -26.1609 -23.7267 -23.7267 -23.5872 -23.5872 -3.6759 -3.6758 -2.1517 -2.1516 4.4303 4.4306 7.4832 7.4842 8.0851 8.0859 8.3272 8.3309 8.6742 8.6751 9.8221 9.8283 10.1194 10.1213 12.8988 12.9097 13.0820 13.0944 13.2730 13.2976 13.4392 13.4630 k = 0.1207-0.2211-0.1332 ( 2156 PWs) bands (ev): -50.4115 -50.4115 -26.1629 -26.1629 -23.7278 -23.7278 -23.5916 -23.5916 -3.6461 -3.6460 -2.1419 -2.1418 4.4639 4.4643 7.4269 7.4281 8.1137 8.1147 8.2540 8.2581 8.6332 8.6343 9.8170 9.8232 10.1126 10.1138 12.8381 12.8429 13.0928 13.0996 13.2537 13.2733 13.4771 13.4957 k = 0.1293-0.2369-0.1427 ( 2156 PWs) bands (ev): -50.4107 -50.4107 -26.1650 -26.1650 -23.7290 -23.7290 -23.5961 -23.5961 -3.6143 -3.6142 -2.1315 -2.1314 4.4992 4.4996 7.3685 7.3699 8.1379 8.1396 8.1856 8.1897 8.5908 8.5922 9.8104 9.8165 10.1005 10.1008 12.7761 12.7767 13.1079 13.1110 13.2317 13.2483 13.5166 13.5319 k = 0.1379-0.2527-0.1522 ( 2158 PWs) bands (ev): -50.4099 -50.4099 -26.1672 -26.1672 -23.7304 -23.7304 -23.6009 -23.6009 -3.5806 -3.5805 -2.1205 -2.1203 4.5359 4.5365 7.3084 7.3100 8.0942 8.0989 8.1856 8.1875 8.5473 8.5491 9.8020 9.8080 10.0827 10.0832 12.7120 12.7144 13.1266 13.1268 13.2090 13.2237 13.5571 13.5701 k = 0.1466-0.2685-0.1617 ( 2155 PWs) bands (ev): -50.4090 -50.4090 -26.1694 -26.1694 -23.7319 -23.7319 -23.6057 -23.6057 -3.5451 -3.5450 -2.1088 -2.1086 4.5740 4.5746 7.2469 7.2487 8.0189 8.0242 8.2179 8.2202 8.5028 8.5052 9.7915 9.7973 10.0595 10.0610 12.6495 12.6544 13.1428 13.1445 13.1904 13.2038 13.5984 13.6096 k = 0.1552-0.2843-0.1713 ( 2153 PWs) bands (ev): -50.4081 -50.4081 -26.1718 -26.1718 -23.7336 -23.7336 -23.6105 -23.6105 -3.5077 -3.5076 -2.0965 -2.0963 4.6130 4.6137 7.1844 7.1864 7.9410 7.9469 8.2529 8.2562 8.4577 8.4611 9.7786 9.7842 10.0318 10.0342 12.5901 12.5970 13.1412 13.1434 13.1965 13.2036 13.6400 13.6500 k = 0.1638-0.3001-0.1808 ( 2153 PWs) bands (ev): -50.4072 -50.4072 -26.1744 -26.1743 -23.7355 -23.7355 -23.6154 -23.6154 -3.4687 -3.4685 -2.0837 -2.0834 4.6527 4.6536 7.1213 7.1236 7.8622 7.8687 8.2879 8.2936 8.4124 8.4183 9.7631 9.7685 9.9999 10.0033 12.5344 12.5429 13.1189 13.1239 13.2254 13.2279 13.6817 13.6907 k = 0.1724-0.3159-0.1903 ( 2151 PWs) bands (ev): -50.4063 -50.4063 -26.1770 -26.1769 -23.7376 -23.7375 -23.6203 -23.6203 -3.4279 -3.4277 -2.0704 -2.0700 4.6929 4.6939 7.0578 7.0604 7.7829 7.7900 8.3153 8.3285 8.3708 8.3842 9.7448 9.7500 9.9644 9.9688 12.4829 12.4930 13.0929 13.0984 13.2617 13.2623 13.7233 13.7315 k = 0.1810-0.3317-0.1998 ( 2150 PWs) bands (ev): -50.4053 -50.4053 -26.1796 -26.1796 -23.7399 -23.7399 -23.6252 -23.6252 -3.3856 -3.3853 -2.0565 -2.0560 4.7332 4.7343 6.9943 6.9974 7.7032 7.7109 8.3032 8.3129 8.3808 8.3907 9.7235 9.7284 9.9260 9.9313 12.4363 12.4476 13.0660 13.0714 13.3019 13.3024 13.7645 13.7721 k = 0.1897-0.3475-0.2093 ( 2150 PWs) bands (ev): -50.4043 -50.4043 -26.1824 -26.1824 -23.7424 -23.7424 -23.6299 -23.6299 -3.3417 -3.3414 -2.0421 -2.0416 4.7731 4.7744 6.9313 6.9348 7.6233 7.6318 8.2633 8.2681 8.4210 8.4261 9.6991 9.7038 9.8853 9.8914 12.3951 12.4074 13.0390 13.0441 13.3454 13.3466 13.8052 13.8122 k = 0.1983-0.3633-0.2188 ( 2151 PWs) bands (ev): -50.4033 -50.4033 -26.1853 -26.1853 -23.7452 -23.7452 -23.6346 -23.6346 -3.2964 -3.2961 -2.0273 -2.0267 4.8123 4.8137 6.8689 6.8731 7.5435 7.5528 8.2186 8.2217 8.4640 8.4675 9.6714 9.6760 9.8430 9.8497 12.3594 12.3726 13.0121 13.0169 13.3919 13.3935 13.8452 13.8517 k = 0.2069-0.3791-0.2284 ( 2145 PWs) bands (ev): -50.4022 -50.4022 -26.1882 -26.1881 -23.7483 -23.7483 -23.6390 -23.6390 -3.2497 -3.2493 -2.0121 -2.0114 4.8503 4.8519 6.8076 6.8125 7.4638 7.4740 8.1729 8.1751 8.5083 8.5109 9.6404 9.6450 9.7999 9.8068 12.3296 12.3436 12.9857 12.9902 13.4409 13.4428 13.8842 13.8904 k = 0.2155-0.3949-0.2379 ( 2143 PWs) bands (ev): -50.4011 -50.4011 -26.1911 -26.1911 -23.7517 -23.7516 -23.6432 -23.6432 -3.2018 -3.2014 -1.9965 -1.9957 4.8866 4.8883 6.7477 6.7535 7.3845 7.3957 8.1269 8.1287 8.5535 8.5556 9.6062 9.6110 9.7567 9.7636 12.3059 12.3204 12.9599 12.9641 13.4919 13.4939 13.9223 13.9281 k = 0.2241-0.4106-0.2474 ( 2139 PWs) bands (ev): -50.3999 -50.3999 -26.1941 -26.1941 -23.7553 -23.7553 -23.6473 -23.6473 -3.1527 -3.1522 -1.9805 -1.9796 4.9207 4.9225 6.6896 6.6965 7.3056 7.3180 8.0812 8.0826 8.5994 8.6012 9.5687 9.5739 9.7141 9.7207 12.2882 12.3031 12.9349 12.9388 13.5443 13.5464 13.9592 13.9647 k = 0.2328-0.4264-0.2569 ( 2140 PWs) bands (ev): -50.3989 -50.3989 -26.1972 -26.1972 -23.7592 -23.7592 -23.6511 -23.6511 -3.1026 -3.1020 -1.9642 -1.9632 4.9520 4.9538 6.6335 6.6416 7.2275 7.2412 8.0358 8.0370 8.6458 8.6475 9.5285 9.5342 9.6726 9.6786 12.2764 12.2917 12.9108 12.9144 13.5977 13.5999 13.9948 14.0001 k = 0.2414-0.4422-0.2664 ( 2141 PWs) bands (ev): -50.3978 -50.3978 -26.2003 -26.2003 -23.7634 -23.7634 -23.6546 -23.6546 -3.0515 -3.0508 -1.9477 -1.9466 4.9798 4.9817 6.5798 6.5894 7.1503 7.1654 7.9910 7.9920 8.6926 8.6941 9.4859 9.4922 9.6327 9.6380 12.2704 12.2860 12.8878 12.8912 13.6518 13.6541 14.0292 14.0341 k = 0.2500-0.4580-0.2759 ( 2142 PWs) bands (ev): -50.3967 -50.3967 -26.2035 -26.2034 -23.7679 -23.7679 -23.6579 -23.6579 -2.9995 -2.9988 -1.9309 -1.9297 5.0037 5.0056 6.5286 6.5400 7.0743 7.0911 7.9469 7.9478 8.7395 8.7409 9.4417 9.4484 9.5947 9.5992 12.2700 12.2857 12.8660 12.8691 13.7061 13.7084 14.0621 14.0669 k = 0.2586-0.4738-0.2854 ( 2141 PWs) bands (ev): -50.3956 -50.3956 -26.2066 -26.2066 -23.7726 -23.7726 -23.6608 -23.6608 -2.9469 -2.9460 -1.9140 -1.9126 5.0231 5.0249 6.4801 6.4936 6.9997 7.0184 7.9035 7.9043 8.7863 8.7877 9.3966 9.4035 9.5587 9.5626 12.2748 12.2907 12.8455 12.8483 13.7603 13.7627 14.0935 14.0981 k = 0.2672-0.4896-0.2950 ( 2139 PWs) bands (ev): -50.3945 -50.3945 -26.2097 -26.2097 -23.7775 -23.7775 -23.6636 -23.6636 -2.8936 -2.8926 -1.8969 -1.8953 5.0375 5.0392 6.4344 6.4503 6.9268 6.9477 7.8611 7.8617 8.8329 8.8343 9.3514 9.3583 9.5250 9.5284 12.2846 12.3005 12.8263 12.8290 13.8141 13.8165 14.1235 14.1280 k = 0.2759-0.5054-0.3045 ( 2135 PWs) bands (ev): -50.3934 -50.3934 -26.2129 -26.2129 -23.7825 -23.7825 -23.6660 -23.6660 -2.8398 -2.8387 -1.8797 -1.8780 5.0466 5.0480 6.3912 6.4100 6.8562 6.8794 7.8196 7.8202 8.8788 8.8805 9.3070 9.3133 9.4938 9.4969 12.2990 12.3149 12.8087 12.8111 13.8671 13.8695 14.1520 14.1563 k = 0.2845-0.5212-0.3140 ( 2137 PWs) bands (ev): -50.3924 -50.3924 -26.2160 -26.2160 -23.7878 -23.7877 -23.6682 -23.6682 -2.7858 -2.7845 -1.8625 -1.8606 5.0500 5.0512 6.3503 6.3722 6.7881 6.8140 7.7791 7.7796 8.9238 8.9259 9.2640 9.2693 9.4653 9.4685 12.3175 12.3334 12.7926 12.7947 13.9190 13.9216 14.1789 14.1832 k = 0.2931-0.5370-0.3235 ( 2141 PWs) bands (ev): -50.3914 -50.3914 -26.2192 -26.2192 -23.7931 -23.7931 -23.6703 -23.6703 -2.7315 -2.7302 -1.8453 -1.8433 5.0477 5.0486 6.3112 6.3366 6.7231 6.7519 7.7398 7.7403 8.9672 8.9702 9.2235 9.2269 9.4400 9.4434 12.3398 12.3558 12.7781 12.7801 13.9696 13.9723 14.2044 14.2086 k = 0.3017-0.5528-0.3330 ( 2143 PWs) bands (ev): -50.3904 -50.3904 -26.2223 -26.2223 -23.7985 -23.7985 -23.6721 -23.6721 -2.6772 -2.6757 -1.8282 -1.8260 5.0399 5.0404 6.2733 6.3021 6.6620 6.6936 7.7017 7.7021 9.0074 9.0126 9.1870 9.1871 9.4182 9.4220 12.3656 12.3815 12.7654 12.7671 14.0187 14.0215 14.2284 14.2325 k = 0.3103-0.5686-0.3425 ( 2145 PWs) bands (ev): -50.3894 -50.3894 -26.2253 -26.2253 -23.8039 -23.8039 -23.6737 -23.6737 -2.6230 -2.6214 -1.8112 -1.8089 5.0268 5.0269 6.2358 6.2680 6.6053 6.6396 7.6648 7.6651 9.0402 9.0508 9.1523 9.1590 9.4001 9.4047 12.3943 12.4103 12.7544 12.7558 14.0659 14.0690 14.2509 14.2550 k = 0.3190-0.5844-0.3520 ( 2150 PWs) bands (ev): -50.3884 -50.3884 -26.2283 -26.2283 -23.8093 -23.8093 -23.6752 -23.6752 -2.5692 -2.5674 -1.7945 -1.7920 5.0085 5.0088 6.1980 6.2330 6.5538 6.5902 7.6292 7.6295 9.0533 9.0723 9.1347 9.1516 9.3864 9.3919 12.4256 12.4417 12.7452 12.7463 14.1112 14.1145 14.2721 14.2763 k = 0.3276-0.6002-0.3616 ( 2148 PWs) bands (ev): -50.3874 -50.3874 -26.2313 -26.2313 -23.8147 -23.8146 -23.6765 -23.6765 -2.5157 -2.5138 -1.7780 -1.7753 4.9858 4.9864 6.1594 6.1964 6.5080 6.5456 7.5949 7.5952 9.0400 9.0569 9.1543 9.1712 9.3772 9.3841 12.4591 12.4753 12.7379 12.7387 14.1543 14.1578 14.2919 14.2962 k = 0.3362-0.6160-0.3711 ( 2148 PWs) bands (ev): -50.3865 -50.3865 -26.2341 -26.2341 -23.8199 -23.8199 -23.6776 -23.6776 -2.4630 -2.4608 -1.7618 -1.7589 4.9595 4.9604 6.1196 6.1575 6.4678 6.5057 7.5621 7.5624 9.0154 9.0285 9.1872 9.2025 9.3730 9.3814 12.4942 12.5107 12.7325 12.7331 14.1950 14.1987 14.3106 14.3151 k = 0.3448-0.6318-0.3806 ( 2150 PWs) bands (ev): -50.3856 -50.3856 -26.2369 -26.2369 -23.8251 -23.8251 -23.6786 -23.6786 -2.4110 -2.4087 -1.7460 -1.7429 4.9301 4.9313 6.0787 6.1164 6.4331 6.4701 7.5307 7.5310 8.9887 8.9992 9.2208 9.2360 9.3740 9.3842 12.5305 12.5471 12.7294 12.7296 14.2330 14.2369 14.3282 14.3331 k = 0.3534-0.6476-0.3901 ( 2150 PWs) bands (ev): -50.3847 -50.3847 -26.2396 -26.2396 -23.8302 -23.8302 -23.6795 -23.6795 -2.3601 -2.3576 -1.7307 -1.7274 4.8984 4.8999 6.0370 6.0736 6.4029 6.4383 7.5008 7.5011 8.9625 8.9711 9.2526 9.2686 9.3804 9.3926 12.5671 12.5839 12.7287 12.7287 14.2682 14.2721 14.3451 14.3505 k = 0.3621-0.6634-0.3996 ( 2158 PWs) bands (ev): -50.3840 -50.3840 -26.2423 -26.2422 -23.8351 -23.8351 -23.6804 -23.6804 -2.3104 -2.3078 -1.7159 -1.7125 4.8650 4.8667 5.9949 6.0297 6.3765 6.4096 7.4725 7.4727 8.9374 8.9446 9.2823 9.2990 9.3924 9.4061 12.6028 12.6196 12.7313 12.7314 14.3001 14.3036 14.3616 14.3679 k = 0.3707-0.6791-0.4091 ( 2157 PWs) bands (ev): -50.3832 -50.3832 -26.2447 -26.2447 -23.8398 -23.8398 -23.6811 -23.6811 -2.2622 -2.2593 -1.7017 -1.6981 4.8306 4.8324 5.9530 5.9857 6.3529 6.3834 7.4457 7.4459 8.9139 8.9199 9.3100 9.3271 9.4095 9.4240 12.6356 12.6515 12.7392 12.7399 14.3279 14.3309 14.3785 14.3860 k = 0.3793-0.6949-0.4186 ( 2159 PWs) bands (ev): -50.3824 -50.3824 -26.2471 -26.2471 -23.8443 -23.8443 -23.6817 -23.6817 -2.2155 -2.2125 -1.6882 -1.6844 4.7956 4.7975 5.9119 5.9421 6.3314 6.3592 7.4205 7.4207 8.8918 8.8969 9.3364 9.3531 9.4306 9.4452 12.6622 12.6755 12.7547 12.7579 14.3510 14.3531 14.3965 14.4055 k = 0.3879-0.7107-0.4282 ( 2156 PWs) bands (ev): -50.3817 -50.3817 -26.2493 -26.2493 -23.8485 -23.8485 -23.6823 -23.6823 -2.1708 -2.1676 -1.6753 -1.6714 4.7608 4.7627 5.8720 5.8998 6.3115 6.3366 7.3969 7.3971 8.8714 8.8757 9.3620 9.3779 9.4543 9.4684 12.6805 12.6903 12.7797 12.7862 14.3692 14.3707 14.4160 14.4262 k = 0.3966-0.7265-0.4377 ( 2152 PWs) bands (ev): -50.3809 -50.3809 -26.2514 -26.2514 -23.8525 -23.8525 -23.6828 -23.6828 -2.1280 -2.1248 -1.6632 -1.6592 4.7265 4.7284 5.8338 5.8592 6.2929 6.3155 7.3750 7.3751 8.8525 8.8561 9.3873 9.4021 9.4792 9.4925 12.6922 12.6993 12.8118 12.8209 14.3833 14.3845 14.4359 14.4471 k = 0.4052-0.7423-0.4472 ( 2150 PWs) bands (ev): -50.3803 -50.3803 -26.2534 -26.2534 -23.8562 -23.8562 -23.6832 -23.6832 -2.0876 -2.0842 -1.6520 -1.6479 4.6933 4.6951 5.7976 5.8207 6.2754 6.2955 7.3547 7.3549 8.8352 8.8383 9.4123 9.4260 9.5044 9.5166 12.7005 12.7058 12.8475 12.8581 14.3947 14.3958 14.4554 14.4671 k = 0.4138-0.7581-0.4567 ( 2149 PWs) bands (ev): -50.3797 -50.3797 -26.2552 -26.2552 -23.8597 -23.8597 -23.6836 -23.6836 -2.0496 -2.0462 -1.6416 -1.6375 4.6615 4.6633 5.7639 5.7846 6.2590 6.2768 7.3362 7.3363 8.8195 8.8220 9.4368 9.4493 9.5291 9.5404 12.7072 12.7113 12.8844 12.8957 14.4041 14.4051 14.4737 14.4858 k = 0.4224-0.7739-0.4662 ( 2146 PWs) bands (ev): -50.3791 -50.3791 -26.2569 -26.2569 -23.8628 -23.8628 -23.6839 -23.6839 -2.0144 -2.0109 -1.6322 -1.6280 4.6315 4.6332 5.7328 5.7513 6.2437 6.2593 7.3193 7.3194 8.8052 8.8073 9.4604 9.4717 9.5531 9.5633 12.7130 12.7163 12.9210 12.9325 14.4121 14.4131 14.4903 14.5026 k = 0.4310-0.7897-0.4757 ( 2143 PWs) bands (ev): -50.3785 -50.3785 -26.2584 -26.2584 -23.8657 -23.8657 -23.6842 -23.6842 -1.9820 -1.9786 -1.6237 -1.6196 4.6037 4.6052 5.7045 5.7208 6.2295 6.2432 7.3042 7.3043 8.7925 8.7943 9.4826 9.4926 9.5761 9.5851 12.7184 12.7211 12.9564 12.9677 14.4188 14.4198 14.5053 14.5175 k = 0.4397-0.8055-0.4852 ( 2146 PWs) bands (ev): -50.3782 -50.3782 -26.2597 -26.2597 -23.8683 -23.8683 -23.6845 -23.6845 -1.9528 -1.9495 -1.6161 -1.6123 4.5784 4.5798 5.6793 5.6935 6.2168 6.2285 7.2908 7.2909 8.7813 8.7828 9.5029 9.5116 9.5978 9.6056 12.7234 12.7257 12.9898 13.0007 14.4246 14.4255 14.5184 14.5304 k = 0.4483-0.8213-0.4948 ( 2148 PWs) bands (ev): -50.3778 -50.3778 -26.2609 -26.2609 -23.8706 -23.8705 -23.6847 -23.6847 -1.9269 -1.9238 -1.6096 -1.6060 4.5559 4.5571 5.6574 5.6694 6.2054 6.2153 7.2792 7.2793 8.7716 8.7728 9.5211 9.5284 9.6179 9.6244 12.7280 12.7298 13.0206 13.0307 14.4294 14.4303 14.5299 14.5412 k = 0.4569-0.8371-0.5043 ( 2150 PWs) bands (ev): -50.3775 -50.3775 -26.2619 -26.2619 -23.8725 -23.8725 -23.6848 -23.6848 -1.9045 -1.9017 -1.6040 -1.6008 4.5364 4.5374 5.6387 5.6487 6.1957 6.2039 7.2693 7.2694 8.7635 8.7644 9.5367 9.5427 9.6359 9.6413 12.7321 12.7336 13.0482 13.0571 14.4334 14.4342 14.5398 14.5500 k = 0.4655-0.8529-0.5138 ( 2148 PWs) bands (ev): -50.3772 -50.3772 -26.2628 -26.2628 -23.8740 -23.8740 -23.6850 -23.6850 -1.8858 -1.8834 -1.5994 -1.5967 4.5202 4.5210 5.6235 5.6315 6.1877 6.1942 7.2613 7.2613 8.7568 8.7575 9.5497 9.5544 9.6515 9.6557 12.7357 12.7368 13.0719 13.0795 14.4367 14.4373 14.5480 14.5568 k = 0.4741-0.8687-0.5233 ( 2154 PWs) bands (ev): -50.3771 -50.3771 -26.2634 -26.2634 -23.8753 -23.8753 -23.6851 -23.6851 -1.8710 -1.8691 -1.5958 -1.5936 4.5074 4.5081 5.6118 5.6178 6.1815 6.1863 7.2550 7.2550 8.7516 8.7521 9.5599 9.5633 9.6642 9.6673 12.7385 12.7394 13.0913 13.0972 14.4392 14.4397 14.5547 14.5616 k = 0.4828-0.8845-0.5328 ( 2154 PWs) bands (ev): -50.3770 -50.3770 -26.2639 -26.2639 -23.8762 -23.8762 -23.6852 -23.6852 -1.8602 -1.8588 -1.5931 -1.5916 4.4982 4.4987 5.6037 5.6077 6.1773 6.1805 7.2505 7.2505 8.7479 8.7483 9.5673 9.5696 9.6737 9.6757 12.7407 12.7413 13.1058 13.1099 14.4410 14.4414 14.5598 14.5647 k = 0.4914-0.9003-0.5423 ( 2156 PWs) bands (ev): -50.3769 -50.3769 -26.2642 -26.2642 -23.8767 -23.8767 -23.6852 -23.6852 -1.8535 -1.8528 -1.5913 -1.5905 4.4927 4.4929 5.5992 5.6012 6.1750 6.1766 7.2478 7.2478 8.7458 8.7459 9.5720 9.5731 9.6798 9.6807 12.7421 12.7423 13.1151 13.1172 14.4421 14.4423 14.5634 14.5659 k = 0.5000-0.9161-0.5518 ( 2158 PWs) bands (ev): -50.3769 -50.3769 -26.2643 -26.2643 -23.8769 -23.8769 -23.6852 -23.6852 -1.8510 -1.8510 -1.5904 -1.5904 4.4909 4.4909 5.5984 5.5984 6.1748 6.1748 7.2469 7.2469 8.7451 8.7451 9.5739 9.5739 9.6821 9.6821 12.7426 12.7426 13.1190 13.1190 14.4426 14.4426 14.5655 14.5655 k = 0.5000-0.9161-0.5518 ( 2158 PWs) bands (ev): -50.3769 -50.3769 -26.2643 -26.2643 -23.8769 -23.8769 -23.6852 -23.6852 -1.8510 -1.8510 -1.5904 -1.5904 4.4909 4.4909 5.5984 5.5984 6.1748 6.1748 7.2469 7.2469 8.7451 8.7451 9.5739 9.5739 9.6821 9.6821 12.7426 12.7426 13.1190 13.1190 14.4426 14.4426 14.5655 14.5655 k = 0.5000-0.9058-0.5688 ( 2158 PWs) bands (ev): -50.3769 -50.3769 -26.2649 -26.2638 -23.8775 -23.8762 -23.6855 -23.6852 -1.8518 -1.8491 -1.5903 -1.5901 4.4917 4.4931 5.5969 5.5978 6.1744 6.1755 7.2461 7.2480 8.7438 8.7454 9.5292 9.5966 9.6536 9.7239 12.7396 12.7453 13.1129 13.1259 14.4346 14.4397 14.5656 14.5709 k = 0.5000-0.8956-0.5858 ( 2158 PWs) bands (ev): -50.3769 -50.3769 -26.2655 -26.2633 -23.8780 -23.8754 -23.6861 -23.6855 -1.8516 -1.8462 -1.5896 -1.5892 4.4953 4.4982 5.5933 5.5951 6.1744 6.1766 7.2455 7.2493 8.7416 8.7449 9.4775 9.5617 9.6740 9.7639 12.7363 12.7476 13.1078 13.1338 14.4174 14.4254 14.5721 14.5803 k = 0.5000-0.8853-0.6028 ( 2152 PWs) bands (ev): -50.3767 -50.3767 -26.2661 -26.2628 -23.8783 -23.8745 -23.6868 -23.6860 -1.8503 -1.8422 -1.5883 -1.5877 4.5018 4.5061 5.5876 5.5902 6.1747 6.1781 7.2452 7.2509 8.7384 8.7433 9.4205 9.5061 9.7066 9.8008 12.7325 12.7495 13.1037 13.1426 14.3926 14.4007 14.5840 14.5928 k = 0.5000-0.8751-0.6198 ( 2152 PWs) bands (ev): -50.3767 -50.3767 -26.2667 -26.2623 -23.8786 -23.8735 -23.6879 -23.6868 -1.8479 -1.8372 -1.5865 -1.5858 4.5111 4.5169 5.5798 5.5833 6.1755 6.1800 7.2453 7.2528 8.7341 8.7408 9.3585 9.4435 9.7379 9.8344 12.7281 12.7508 13.1008 13.1524 14.3608 14.3676 14.6000 14.6083 k = 0.5000-0.8649-0.6368 ( 2156 PWs) bands (ev): -50.3766 -50.3766 -26.2674 -26.2620 -23.8789 -23.8724 -23.6892 -23.6879 -1.8445 -1.8312 -1.5843 -1.5833 4.5233 4.5305 5.5698 5.5741 6.1767 6.1823 7.2459 7.2553 8.7284 8.7371 9.2917 9.3756 9.7668 9.8649 12.7231 12.7512 13.0994 13.1633 14.3225 14.3280 14.6189 14.6272 k = 0.5000-0.8546-0.6538 ( 2148 PWs) bands (ev): -50.3764 -50.3764 -26.2681 -26.2616 -23.8789 -23.8712 -23.6907 -23.6892 -1.8401 -1.8242 -1.5815 -1.5803 4.5383 4.5469 5.5578 5.5628 6.1784 6.1850 7.2470 7.2583 8.7212 8.7322 9.2203 9.3029 9.7932 9.8927 12.7172 12.7505 13.0997 13.1755 14.2781 14.2837 14.6400 14.6498 k = 0.5000-0.8444-0.6708 ( 2148 PWs) bands (ev): -50.3763 -50.3763 -26.2688 -26.2613 -23.8790 -23.8699 -23.6925 -23.6908 -1.8348 -1.8163 -1.5782 -1.5769 4.5561 4.5662 5.5437 5.5493 6.1806 6.1883 7.2489 7.2620 8.7121 8.7260 9.1446 9.2259 9.8174 9.9182 12.7102 12.7482 13.1021 13.1891 14.2285 14.2358 14.6632 14.6757 k = 0.5000-0.8342-0.6878 ( 2142 PWs) bands (ev): -50.3761 -50.3761 -26.2696 -26.2610 -23.8789 -23.8685 -23.6944 -23.6926 -1.8284 -1.8074 -1.5746 -1.5730 4.5766 4.5881 5.5274 5.5336 6.1834 6.1922 7.2517 7.2666 8.7007 8.7181 9.0649 9.1449 9.8396 9.9417 12.7019 12.7441 13.1068 13.2042 14.1754 14.1850 14.6885 14.7043 k = 0.5000-0.8239-0.7048 ( 2138 PWs) bands (ev): -50.3759 -50.3759 -26.2703 -26.2607 -23.8788 -23.8670 -23.6965 -23.6947 -1.8212 -1.7976 -1.5704 -1.5687 4.5999 4.6128 5.5092 5.5159 6.1867 6.1965 7.2554 7.2721 8.6864 8.7086 8.9819 9.0607 9.8603 9.9635 12.6921 12.7378 13.1141 13.2209 14.1200 14.1321 14.7159 14.7352 k = 0.5000-0.8137-0.7218 ( 2142 PWs) bands (ev): -50.3758 -50.3758 -26.2712 -26.2605 -23.8787 -23.8655 -23.6988 -23.6971 -1.8131 -1.7871 -1.5660 -1.5640 4.6259 4.6401 5.4890 5.4961 6.1906 6.2015 7.2602 7.2787 8.6677 8.6969 8.8965 8.9743 9.8797 9.9842 12.6807 12.7291 13.1242 13.2393 14.0635 14.0779 14.7452 14.7679 k = 0.5000-0.8035-0.7388 ( 2144 PWs) bands (ev): -50.3756 -50.3756 -26.2720 -26.2604 -23.8784 -23.8638 -23.7013 -23.6996 -1.8042 -1.7757 -1.5611 -1.5590 4.6544 4.6701 5.4670 5.4745 6.1951 6.2070 7.2661 7.2865 8.6419 8.6824 8.8104 8.8879 9.8983 10.0039 12.6675 12.7177 13.1371 13.2594 14.0068 14.0234 14.7759 14.8021 k = 0.5000-0.7932-0.7558 ( 2146 PWs) bands (ev): -50.3755 -50.3755 -26.2728 -26.2603 -23.8782 -23.8621 -23.7039 -23.7023 -1.7945 -1.7636 -1.5560 -1.5538 4.6855 4.7026 5.4434 5.4511 6.2001 6.2130 7.2733 7.2955 8.6035 8.6619 8.7286 8.8061 9.9163 10.0231 12.6524 12.7036 13.1527 13.2810 13.9508 13.9694 14.8078 14.8374 k = 0.5000-0.7830-0.7727 ( 2146 PWs) bands (ev): -50.3753 -50.3753 -26.2736 -26.2602 -23.8779 -23.8603 -23.7066 -23.7052 -1.7841 -1.7509 -1.5506 -1.5482 4.7192 4.7375 5.4182 5.4261 6.2057 6.2194 7.2817 7.3057 8.5445 8.6153 8.6712 8.7373 9.9340 10.0421 12.6353 12.6869 13.1706 13.3039 13.8963 13.9168 14.8405 14.8734 k = 0.5000-0.7727-0.7897 ( 2146 PWs) bands (ev): -50.3751 -50.3751 -26.2745 -26.2602 -23.8775 -23.8584 -23.7094 -23.7083 -1.7730 -1.7376 -1.5450 -1.5425 4.7552 4.7749 5.3917 5.3997 6.2117 6.2262 7.2914 7.3173 8.4647 8.5328 8.6437 8.6868 9.9518 10.0612 12.6163 12.6676 13.1906 13.3279 13.8442 13.8666 14.8736 14.9098 k = 0.5000-0.7625-0.8067 ( 2152 PWs) bands (ev): -50.3749 -50.3749 -26.2754 -26.2602 -23.8771 -23.8565 -23.7123 -23.7116 -1.7613 -1.7237 -1.5393 -1.5366 4.7936 4.8146 5.3642 5.3723 6.2181 6.2334 7.3022 7.3300 8.3726 8.4382 8.6206 8.6489 9.9698 10.0805 12.5954 12.6459 13.2120 13.3524 13.7953 13.8196 14.9067 14.9462 k = 0.5000-0.7523-0.8237 ( 2150 PWs) bands (ev): -50.3747 -50.3747 -26.2762 -26.2602 -23.8767 -23.8545 -23.7152 -23.7149 -1.7492 -1.7094 -1.5335 -1.5306 4.8342 4.8565 5.3359 5.3440 6.2249 6.2408 7.3141 7.3440 8.2748 8.3381 8.5968 8.6164 9.9884 10.1004 12.5727 12.6220 13.2341 13.3763 13.7506 13.7771 14.9396 14.9823 k = 0.5000-0.7420-0.8407 ( 2154 PWs) bands (ev): -50.3745 -50.3745 -26.2770 -26.2603 -23.8763 -23.8524 -23.7184 -23.7181 -1.7365 -1.6947 -1.5276 -1.5246 4.8770 4.9005 5.3070 5.3151 6.2318 6.2482 7.3269 7.3590 8.1744 8.2354 8.5713 8.5856 10.0075 10.1211 12.5483 12.5961 13.2558 13.3983 13.7110 13.7408 14.9718 15.0177 k = 0.5000-0.7318-0.8577 ( 2156 PWs) bands (ev): -50.3743 -50.3743 -26.2779 -26.2604 -23.8759 -23.8503 -23.7220 -23.7210 -1.7236 -1.6798 -1.5217 -1.5186 4.9218 4.9465 5.2779 5.2859 6.2389 6.2557 7.3404 7.3749 8.0729 8.1314 8.5439 8.5551 10.0275 10.1426 12.5224 12.5685 13.2759 13.4162 13.6781 13.7127 15.0032 15.0523 k = 0.5000-0.7216-0.8747 ( 2154 PWs) bands (ev): -50.3741 -50.3741 -26.2787 -26.2605 -23.8755 -23.8482 -23.7255 -23.7239 -1.7103 -1.6646 -1.5159 -1.5127 4.9684 4.9943 5.2490 5.2569 6.2459 6.2630 7.3541 7.3913 7.9716 8.0272 8.5146 8.5244 10.0483 10.1651 12.4951 12.5392 13.2928 13.4271 13.6533 13.6959 15.0333 15.0856 k = 0.5000-0.7113-0.8917 ( 2156 PWs) bands (ev): -50.3739 -50.3739 -26.2795 -26.2606 -23.8751 -23.8460 -23.7292 -23.7267 -1.6969 -1.6494 -1.5103 -1.5069 5.0165 5.0436 5.2206 5.2285 6.2527 6.2699 7.3674 7.4079 7.8716 7.9239 8.4836 8.4932 10.0700 10.1886 12.4668 12.5087 13.3047 13.4289 13.6381 13.6924 15.0620 15.1175 k = 0.5000-0.7011-0.9087 ( 2156 PWs) bands (ev): -50.3736 -50.3736 -26.2803 -26.2608 -23.8747 -23.8438 -23.7328 -23.7294 -1.6834 -1.6342 -1.5049 -1.5014 5.0653 5.0931 5.1938 5.2021 6.2592 6.2763 7.3791 7.4240 7.7743 7.8227 8.4511 8.4616 10.0927 10.2132 12.4377 12.4771 13.3104 13.4219 13.6335 13.7022 15.0891 15.1477 k = 0.5000-0.6909-0.9257 ( 2150 PWs) bands (ev): -50.3733 -50.3733 -26.2810 -26.2609 -23.8743 -23.8416 -23.7364 -23.7320 -1.6699 -1.6191 -1.4998 -1.4962 5.1098 5.1354 5.1726 5.1863 6.2652 6.2820 7.3866 7.4381 7.6818 7.7261 8.4178 8.4296 10.1161 10.2387 12.4079 12.4448 13.3097 13.4089 13.6393 13.7223 15.1143 15.1759 k = 0.5000-0.6806-0.9427 ( 2152 PWs) bands (ev): -50.3732 -50.3732 -26.2817 -26.2611 -23.8740 -23.8395 -23.7400 -23.7344 -1.6565 -1.6042 -1.4950 -1.4914 5.1208 5.1344 5.1881 5.2154 6.2704 6.2868 7.3841 7.4467 7.5977 7.6404 8.3840 8.3976 10.1403 10.2651 12.3780 12.4121 13.3038 13.3929 13.6541 13.7494 15.1375 15.2021 k = 0.5000-0.6704-0.9597 ( 2152 PWs) bands (ev): -50.3730 -50.3730 -26.2824 -26.2613 -23.8737 -23.8374 -23.7434 -23.7367 -1.6433 -1.5896 -1.4906 -1.4870 5.1021 5.1120 5.2369 5.2673 6.2745 6.2905 7.3603 7.4363 7.5319 7.5809 8.3505 8.3660 10.1651 10.2922 12.3482 12.3794 13.2948 13.3763 13.6757 13.7809 15.1586 15.2260 k = 0.5000-0.6601-0.9766 ( 2152 PWs) bands (ev): -50.3728 -50.3728 -26.2830 -26.2615 -23.8735 -23.8353 -23.7467 -23.7388 -1.6305 -1.5755 -1.4868 -1.4830 5.0799 5.0888 5.2913 5.3230 6.2772 6.2928 7.3090 7.3810 7.5076 7.5566 8.3180 8.3354 10.1900 10.3196 12.3188 12.3471 13.2843 13.3606 13.7020 13.8148 15.1774 15.2475 k = 0.5000-0.6499-0.9936 ( 2148 PWs) bands (ev): -50.3725 -50.3725 -26.2836 -26.2616 -23.8733 -23.8334 -23.7499 -23.7407 -1.6181 -1.5619 -1.4835 -1.4797 5.0584 5.0667 5.3475 5.3801 6.2780 6.2935 7.2416 7.3021 7.5068 7.5535 8.2873 8.3066 10.2149 10.3470 12.2905 12.3157 13.2740 13.3466 13.7312 13.8500 15.1939 15.2665 k = 0.5000-0.6397-1.0106 ( 2146 PWs) bands (ev): -50.3723 -50.3723 -26.2841 -26.2618 -23.8732 -23.8316 -23.7528 -23.7425 -1.6063 -1.5490 -1.4808 -1.4770 5.0383 5.0463 5.4043 5.4377 6.2765 6.2926 7.1702 7.2211 7.5104 7.5568 8.2595 8.2804 10.2394 10.3739 12.2635 12.2858 13.2646 13.3348 13.7620 13.8854 15.2079 15.2828 k = 0.5000-0.6294-1.0276 ( 2144 PWs) bands (ev): -50.3721 -50.3721 -26.2846 -26.2620 -23.8731 -23.8299 -23.7554 -23.7439 -1.5952 -1.5370 -1.4789 -1.4750 5.0203 5.0281 5.4612 5.4952 6.2720 6.2901 7.1012 7.1436 7.5130 7.5600 8.2356 8.2577 10.2628 10.3999 12.2385 12.2580 13.2568 13.3253 13.7933 13.9203 15.2196 15.2964 k = 0.5000-0.6192-1.0446 ( 2140 PWs) bands (ev): -50.3720 -50.3719 -26.2850 -26.2622 -23.8731 -23.8284 -23.7578 -23.7452 -1.5848 -1.5258 -1.4777 -1.4738 5.0045 5.0121 5.5173 5.5517 6.2646 6.2858 7.0377 7.0719 7.5127 7.5600 8.2168 8.2396 10.2847 10.4242 12.2161 12.2331 13.2509 13.3183 13.8242 13.9540 15.2288 15.3072 k = 0.5000-0.6090-1.0616 ( 2138 PWs) bands (ev): -50.3718 -50.3718 -26.2854 -26.2623 -23.8731 -23.8271 -23.7597 -23.7462 -1.5754 -1.5157 -1.4773 -1.4734 4.9911 4.9986 5.5715 5.6062 6.2545 6.2802 6.9814 7.0077 7.5081 7.5551 8.2041 8.2267 10.3045 10.4462 12.1969 12.2117 13.2471 13.3137 13.8540 13.9861 15.2356 15.3152 k = 0.5000-0.5987-1.0786 ( 2142 PWs) bands (ev): -50.3718 -50.3718 -26.2857 -26.2624 -23.8732 -23.8262 -23.7613 -23.7470 -1.5671 -1.5069 -1.4778 -1.4739 4.9804 4.9878 5.6224 5.6571 6.2428 6.2738 6.9333 6.9518 7.4983 7.5443 8.1980 8.2198 10.3215 10.4651 12.1817 12.1947 13.2454 13.3114 13.8820 14.0157 15.2401 15.3205 k = 0.5000-0.5885-1.0956 ( 2148 PWs) bands (ev): -50.3718 -50.3718 -26.2859 -26.2626 -23.8732 -23.8255 -23.7625 -23.7476 -1.5599 -1.4993 -1.4792 -1.4754 4.9725 4.9799 5.6678 5.7023 6.2316 6.2686 6.8940 6.9051 7.4833 7.5275 8.1988 8.2192 10.3351 10.4802 12.1711 12.1826 13.2457 13.3112 13.9076 14.0425 15.2422 15.3229 k = 0.5000-0.5783-1.1126 ( 2148 PWs) bands (ev): -50.3718 -50.3718 -26.2861 -26.2626 -23.8733 -23.8251 -23.7632 -23.7479 -1.5541 -1.4932 -1.4817 -1.4777 4.9676 4.9749 5.7045 5.7388 6.2246 6.2671 6.8630 6.8679 7.4630 7.5049 8.2061 8.2247 10.3447 10.4908 12.1658 12.1760 13.2480 13.3129 13.9302 14.0658 15.2421 15.3226 k = 0.5000-0.5680-1.1296 ( 2148 PWs) bands (ev): -50.3717 -50.3717 -26.2861 -26.2627 -23.8733 -23.8250 -23.7634 -23.7480 -1.5497 -1.4888 -1.4851 -1.4810 4.9657 4.9731 5.7293 5.7634 6.2257 6.2731 6.8380 6.8419 7.4379 7.4771 8.2194 8.2361 10.3498 10.4962 12.1666 12.1755 13.2519 13.3163 13.9493 14.0851 15.2399 15.3197 k = 0.5000-0.5578-1.1466 ( 2148 PWs) bands (ev): -50.3718 -50.3718 -26.2861 -26.2626 -23.8733 -23.8251 -23.7632 -23.7479 -1.5468 -1.4896 -1.4874 -1.4840 4.9670 4.9744 5.7395 5.7738 6.2387 6.2896 6.8183 6.8262 7.4087 7.4452 8.2378 8.2528 10.3499 10.4960 12.1738 12.1812 13.2574 13.3210 13.9642 14.0999 15.2355 15.3141 k = 0.5000-0.5476-1.1636 ( 2148 PWs) bands (ev): -50.3718 -50.3718 -26.2859 -26.2626 -23.8732 -23.8255 -23.7625 -23.7476 -1.5456 -1.4952 -1.4919 -1.4839 4.9716 4.9791 5.7348 5.7696 6.2649 6.3179 6.8056 6.8173 7.3763 7.4101 8.2603 8.2742 10.3447 10.4898 12.1876 12.1935 13.2641 13.3267 13.9745 14.1096 15.2292 15.3061 k = 0.5000-0.5373-1.1805 ( 2146 PWs) bands (ev): -50.3719 -50.3719 -26.2857 -26.2624 -23.8730 -23.8260 -23.7615 -23.7471 -1.5462 -1.5019 -1.4984 -1.4848 4.9796 4.9871 5.7175 5.7529 6.3029 6.3568 6.7994 6.8140 7.3415 7.3726 8.2861 8.2996 10.3342 10.4777 12.2078 12.2125 13.2717 13.3332 13.9796 14.1138 15.2209 15.2956 k = 0.8185-0.4560-1.0268 ( 2146 PWs) bands (ev): -50.3719 -50.3719 -26.2857 -26.2624 -23.8730 -23.8260 -23.7615 -23.7471 -1.5462 -1.5019 -1.4984 -1.4848 4.9796 4.9871 5.7175 5.7529 6.3029 6.3568 6.7994 6.8140 7.3415 7.3726 8.2861 8.2996 10.3342 10.4777 12.2078 12.2125 13.2717 13.3332 13.9796 14.1138 15.2209 15.2956 k = 0.8136-0.4469-1.0096 ( 2144 PWs) bands (ev): -50.3719 -50.3719 -26.2853 -26.2622 -23.8727 -23.8266 -23.7601 -23.7464 -1.5488 -1.5099 -1.5062 -1.4876 4.9911 4.9988 5.6908 5.7266 6.3503 6.4043 6.7991 6.8160 7.3044 7.3332 8.3150 8.3287 10.3182 10.4595 12.2339 12.2391 13.2800 13.3402 13.9792 14.1121 15.2105 15.2827 k = 0.8086-0.4378-0.9924 ( 2144 PWs) bands (ev): -50.3721 -50.3721 -26.2848 -26.2619 -23.8724 -23.8273 -23.7584 -23.7455 -1.5535 -1.5191 -1.5152 -1.4926 5.0062 5.0140 5.6586 5.6943 6.4035 6.4567 6.8041 6.8232 7.2665 7.2930 8.3459 8.3605 10.2971 10.4358 12.2652 12.2726 13.2886 13.3472 13.9726 14.1041 15.1982 15.2675 k = 0.8036-0.4287-0.9751 ( 2146 PWs) bands (ev): -50.3723 -50.3723 -26.2842 -26.2616 -23.8718 -23.8280 -23.7565 -23.7445 -1.5603 -1.5295 -1.5253 -1.4997 5.0248 5.0328 5.6237 5.6589 6.4594 6.5108 6.8144 6.8359 7.2283 7.2530 8.3786 8.3944 10.2713 10.4070 12.3014 12.3120 13.2971 13.3538 13.9596 14.0895 15.1842 15.2504 k = 0.7986-0.4196-0.9579 ( 2154 PWs) bands (ev): -50.3726 -50.3726 -26.2836 -26.2612 -23.8712 -23.8288 -23.7544 -23.7434 -1.5695 -1.5411 -1.5365 -1.5092 5.0470 5.0552 5.5882 5.6223 6.5152 6.5635 6.8303 6.8552 7.1905 7.2137 8.4127 8.4299 10.2412 10.3737 12.3422 12.3563 13.3052 13.3598 13.9401 14.0682 15.1685 15.2315 k = 0.7937-0.4104-0.9406 ( 2152 PWs) bands (ev): -50.3729 -50.3729 -26.2827 -26.2607 -23.8703 -23.8293 -23.7522 -23.7422 -1.5809 -1.5540 -1.5488 -1.5210 5.0728 5.0812 5.5535 5.5863 6.5682 6.6116 6.8524 6.8828 7.1538 7.1760 8.4478 8.4665 10.2075 10.3368 12.3868 12.4047 13.3123 13.3646 13.9141 14.0402 15.1514 15.2109 k = 0.7887-0.4013-0.9234 ( 2152 PWs) bands (ev): -50.3732 -50.3732 -26.2818 -26.2601 -23.8693 -23.8298 -23.7497 -23.7408 -1.5946 -1.5680 -1.5624 -1.5352 5.1020 5.1107 5.5207 5.5518 6.6156 6.6524 6.8814 6.9203 7.1189 7.1409 8.4836 8.5040 10.1707 10.2969 12.4345 12.4561 13.3182 13.3681 13.8816 14.0057 15.1332 15.1891 k = 0.7837-0.3922-0.9061 ( 2156 PWs) bands (ev): -50.3736 -50.3736 -26.2807 -26.2594 -23.8681 -23.8302 -23.7472 -23.7393 -1.6106 -1.5831 -1.5771 -1.5518 5.1347 5.1437 5.4905 5.5197 6.6549 6.6845 6.9170 6.9676 7.0863 7.1107 8.5199 8.5419 10.1315 10.2546 12.4846 12.5098 13.3224 13.3697 13.8429 13.9649 15.1142 15.1664 k = 0.7787-0.3831-0.8889 ( 2158 PWs) bands (ev): -50.3740 -50.3740 -26.2795 -26.2586 -23.8666 -23.8304 -23.7446 -23.7377 -1.6288 -1.5995 -1.5931 -1.5708 5.1708 5.1800 5.4636 5.4906 6.6852 6.7082 6.9544 7.0214 7.0584 7.0912 8.5564 8.5800 10.0906 10.2107 12.5363 12.5649 13.3244 13.3693 13.7985 13.9180 15.0947 15.1430 k = 0.7738-0.3740-0.8716 ( 2160 PWs) bands (ev): -50.3744 -50.3744 -26.2781 -26.2577 -23.8650 -23.8304 -23.7419 -23.7361 -1.6492 -1.6170 -1.6104 -1.5921 5.2100 5.2194 5.4405 5.4650 6.7069 6.7246 6.9785 7.0265 7.0827 7.1025 8.5929 8.6181 10.0485 10.1658 12.5888 12.6206 13.3239 13.3665 13.7489 13.8655 15.0753 15.1194 k = 0.7688-0.3649-0.8544 ( 2158 PWs) bands (ev): -50.3748 -50.3748 -26.2766 -26.2567 -23.8631 -23.8301 -23.7392 -23.7343 -1.6719 -1.6357 -1.6291 -1.6157 5.2520 5.2615 5.4217 5.4435 6.7210 6.7350 6.9783 7.0040 7.1299 7.1614 8.6293 8.6561 10.0057 10.1205 12.6416 12.6761 13.3203 13.3611 13.6949 13.8081 15.0563 15.0958 k = 0.7638-0.3557-0.8371 ( 2152 PWs) bands (ev): -50.3752 -50.3752 -26.2750 -26.2555 -23.8609 -23.8296 -23.7364 -23.7325 -1.6967 -1.6557 -1.6492 -1.6409 5.2959 5.3051 5.4088 5.4271 6.7284 6.7400 6.9680 6.9848 7.1892 7.2311 8.6653 8.6936 9.9629 10.0753 12.6940 12.7309 13.3131 13.3528 13.6377 13.7463 15.0379 15.0727 k = 0.7588-0.3466-0.8199 ( 2154 PWs) bands (ev): -50.3758 -50.3758 -26.2732 -26.2543 -23.8586 -23.8290 -23.7336 -23.7306 -1.7238 -1.6784 -1.6715 -1.6658 5.3382 5.3454 5.4066 5.4189 6.7300 6.7406 6.9576 6.9700 7.2553 7.3036 8.7009 8.7306 9.9205 10.0307 12.7454 12.7842 13.3013 13.3414 13.5786 13.6811 15.0204 15.0502 k = 0.7538-0.3375-0.8027 ( 2150 PWs) bands (ev): -50.3763 -50.3763 -26.2713 -26.2529 -23.8559 -23.8280 -23.7308 -23.7287 -1.7530 -1.7063 -1.6945 -1.6889 5.3616 5.3716 5.4268 5.4354 6.7266 6.7374 6.9497 6.9598 7.3248 7.3773 8.7357 8.7669 9.8789 9.9871 12.7954 12.8356 13.2840 13.3265 13.5195 13.6133 15.0039 15.0285 k = 0.7489-0.3284-0.7854 ( 2148 PWs) bands (ev): -50.3769 -50.3769 -26.2693 -26.2515 -23.8531 -23.8268 -23.7279 -23.7268 -1.7844 -1.7386 -1.7173 -1.7118 5.3661 5.3778 5.4697 5.4818 6.7197 6.7315 6.9444 6.9534 7.3960 7.4518 8.7698 8.8023 9.8386 9.9450 12.8434 12.8846 13.2592 13.3076 13.4634 13.5444 14.9883 15.0077 k = 0.7439-0.3193-0.7682 ( 2142 PWs) bands (ev): -50.3775 -50.3775 -26.2671 -26.2499 -23.8500 -23.8254 -23.7250 -23.7247 -1.8178 -1.7736 -1.7406 -1.7353 5.3690 5.3790 5.5236 5.5371 6.7110 6.7238 6.9411 6.9497 7.4680 7.5264 8.8030 8.8368 9.8000 9.9046 12.8890 12.9305 13.2246 13.2841 13.4131 13.4762 14.9737 14.9878 k = 0.7389-0.3101-0.7509 ( 2146 PWs) bands (ev): -50.3782 -50.3782 -26.2648 -26.2482 -23.8467 -23.8238 -23.7227 -23.7222 -1.8533 -1.8109 -1.7645 -1.7594 5.3743 5.3820 5.5819 5.5965 6.7019 6.7156 6.9389 6.9476 7.5402 7.6008 8.8351 8.8702 9.7633 9.8663 12.9320 12.9730 13.1793 13.2546 13.3705 13.4113 14.9598 14.9686 k = 0.7339-0.3010-0.7337 ( 2148 PWs) bands (ev): -50.3790 -50.3790 -26.2625 -26.2465 -23.8432 -23.8219 -23.7206 -23.7193 -1.8906 -1.8502 -1.7890 -1.7842 5.3830 5.3882 5.6430 5.6585 6.6934 6.7080 6.9370 6.9459 7.6122 7.6748 8.8662 8.9025 9.7289 9.8303 12.9719 13.0112 13.1248 13.2172 13.3344 13.3540 14.9463 14.9500 k = 0.7290-0.2919-0.7164 ( 2148 PWs) bands (ev): -50.3798 -50.3798 -26.2600 -26.2446 -23.8395 -23.8198 -23.7185 -23.7164 -1.9298 -1.8913 -1.8141 -1.8096 5.3951 5.3979 5.7061 5.7225 6.6867 6.7020 6.9346 6.9439 7.6836 7.7482 8.8961 8.9335 9.6969 9.7969 13.0080 13.0428 13.0664 13.1706 13.2995 13.3107 14.9314 14.9332 k = 0.7240-0.2828-0.6992 ( 2144 PWs) bands (ev): -50.3805 -50.3805 -26.2573 -26.2426 -23.8356 -23.8175 -23.7163 -23.7135 -1.9707 -1.9341 -1.8397 -1.8356 5.4108 5.4111 5.7707 5.7881 6.6823 6.6984 6.9311 6.9410 7.7541 7.8205 8.9248 8.9632 9.6675 9.7661 12.9980 13.0429 13.0688 13.1205 13.2656 13.2800 14.9132 14.9195 k = 0.7190-0.2737-0.6819 ( 2144 PWs) bands (ev): -50.3814 -50.3814 -26.2546 -26.2405 -23.8315 -23.8149 -23.7141 -23.7106 -2.0131 -1.9785 -1.8659 -1.8620 5.4278 5.4299 5.8361 5.8546 6.6811 6.6978 6.9263 6.9369 7.8236 7.8917 8.9521 8.9917 9.6408 9.7382 12.9357 13.0372 13.0784 13.1053 13.2388 13.2533 14.8945 14.9054 k = 0.7140-0.2645-0.6647 ( 2146 PWs) bands (ev): -50.3823 -50.3823 -26.2518 -26.2383 -23.8272 -23.8122 -23.7118 -23.7077 -2.0569 -2.0243 -1.8924 -1.8888 5.4478 5.4521 5.9019 5.9215 6.6835 6.7009 6.9198 6.9313 7.8916 7.9615 8.9782 9.0188 9.6169 9.7130 12.8740 12.9810 13.1037 13.1102 13.2178 13.2326 14.8752 14.8904 k = 0.7090-0.2554-0.6474 ( 2142 PWs) bands (ev): -50.3831 -50.3831 -26.2489 -26.2360 -23.8227 -23.8093 -23.7094 -23.7047 -2.1020 -2.0714 -1.9194 -1.9160 5.4709 5.4774 5.9674 5.9879 6.6901 6.7081 6.9118 6.9245 7.9580 8.0296 9.0030 9.0445 9.5959 9.6908 12.8148 12.9217 13.1037 13.1274 13.1941 13.2272 14.8549 14.8740 k = 0.7041-0.2463-0.6302 ( 2142 PWs) bands (ev): -50.3840 -50.3840 -26.2458 -26.2337 -23.8182 -23.8061 -23.7070 -23.7017 -2.1483 -2.1196 -1.9466 -1.9435 5.4969 5.5055 6.0316 6.0531 6.7013 6.7198 6.9026 6.9168 8.0223 8.0955 9.0265 9.0689 9.5778 9.6715 12.7592 12.8647 13.0869 13.1481 13.1682 13.2329 14.8332 14.8561 k = 0.6991-0.2372-0.6130 ( 2148 PWs) bands (ev): -50.3851 -50.3851 -26.2428 -26.2313 -23.8135 -23.8029 -23.7046 -23.6988 -2.1956 -2.1687 -1.9741 -1.9712 5.5254 5.5360 6.0939 6.1161 6.7169 6.7360 6.8930 6.9093 8.0843 8.1590 9.0486 9.0920 9.5628 9.6552 12.7081 12.8115 13.0646 13.1421 13.1658 13.2423 14.8100 14.8362 k = 0.6941-0.2281-0.5957 ( 2148 PWs) bands (ev): -50.3861 -50.3861 -26.2396 -26.2287 -23.8087 -23.7995 -23.7020 -23.6957 -2.2438 -2.2186 -2.0017 -1.9990 5.5562 5.5686 6.1534 6.1759 6.7357 6.7556 6.8849 6.9043 8.1434 8.2196 9.0693 9.1138 9.5509 9.6421 12.6620 12.7630 13.0402 13.1161 13.1806 13.2519 14.7849 14.8142 k = 0.6891-0.2189-0.5785 ( 2146 PWs) bands (ev): -50.3870 -50.3870 -26.2364 -26.2261 -23.8038 -23.7959 -23.6993 -23.6926 -2.2927 -2.2692 -2.0295 -2.0270 5.5889 5.6030 6.2092 6.2316 6.7538 6.7746 6.8835 6.9066 8.1991 8.2766 9.0887 9.1342 9.5425 9.6324 12.6215 12.7198 13.0151 13.0906 13.1925 13.2603 14.7577 14.7899 k = 0.6842-0.2098-0.5612 ( 2142 PWs) bands (ev): -50.3880 -50.3880 -26.2331 -26.2235 -23.7989 -23.7922 -23.6966 -23.6894 -2.3421 -2.3203 -2.0573 -2.0550 5.6230 5.6387 6.2610 6.2828 6.7646 6.7848 6.8982 6.9228 8.2509 8.3293 9.1066 9.1532 9.5380 9.6264 12.5870 12.6825 12.9903 13.0658 13.2019 13.2669 14.7283 14.7630 k = 0.6792-0.2007-0.5440 ( 2142 PWs) bands (ev): -50.3890 -50.3890 -26.2298 -26.2207 -23.7940 -23.7885 -23.6937 -23.6862 -2.3920 -2.3718 -2.0851 -2.0830 5.6580 5.6750 6.3087 6.3293 6.7647 6.7819 6.9342 6.9566 8.2982 8.3771 9.1231 9.1708 9.5379 9.6246 12.5587 12.6513 12.9662 13.0419 13.2088 13.2716 14.6965 14.7335 k = 0.6742-0.1916-0.5267 ( 2150 PWs) bands (ev): -50.3902 -50.3902 -26.2265 -26.2180 -23.7892 -23.7848 -23.6907 -23.6829 -2.4422 -2.4236 -2.1128 -2.1109 5.6931 5.7114 6.3524 6.3716 6.7566 6.7710 6.9865 7.0055 8.3402 8.4190 9.1380 9.1866 9.5429 9.6274 12.5367 12.6263 12.9432 13.0191 13.2136 13.2744 14.6623 14.7014 k = 0.6692-0.1825-0.5095 ( 2148 PWs) bands (ev): -50.3913 -50.3913 -26.2231 -26.2152 -23.7844 -23.7810 -23.6874 -23.6795 -2.4925 -2.4754 -2.1405 -2.1387 5.7278 5.7469 6.3928 6.4104 6.7449 6.7571 7.0497 7.0654 8.3762 8.4543 9.1514 9.2006 9.5538 9.6356 12.5212 12.6076 12.9216 12.9976 13.2163 13.2754 14.6256 14.6666 k = 0.6643-0.1734-0.4922 ( 2142 PWs) bands (ev): -50.3923 -50.3923 -26.2196 -26.2123 -23.7796 -23.7772 -23.6840 -23.6759 -2.5429 -2.5271 -2.1679 -2.1663 5.7610 5.7808 6.4306 6.4465 6.7325 6.7432 7.1205 7.1332 8.4058 8.4824 9.1630 9.2126 9.5712 9.6496 12.5120 12.5952 12.9017 12.9776 13.2173 13.2748 14.5865 14.6291 k = 0.6593-0.1642-0.4750 ( 2142 PWs) bands (ev): -50.3934 -50.3934 -26.2162 -26.2094 -23.7750 -23.7734 -23.6805 -23.6723 -2.5932 -2.5787 -2.1951 -2.1936 5.7918 5.8118 6.4666 6.4809 6.7220 6.7311 7.1969 7.2069 8.4284 8.5026 9.1729 9.2223 9.5957 9.6700 12.5089 12.5888 12.8836 12.9592 13.2168 13.2727 14.5450 14.5890 k = 0.6543-0.1551-0.4578 ( 2144 PWs) bands (ev): -50.3945 -50.3945 -26.2128 -26.2066 -23.7706 -23.7697 -23.6767 -23.6686 -2.6432 -2.6300 -2.2220 -2.2207 5.8189 5.8389 6.5015 6.5144 6.7150 6.7226 7.2773 7.2851 8.4439 8.5150 9.1809 9.2299 9.6275 9.6970 12.5116 12.5881 12.8676 12.9426 13.2150 13.2694 14.5012 14.5464 k = 0.6493-0.1460-0.4405 ( 2144 PWs) bands (ev): -50.3956 -50.3956 -26.2094 -26.2037 -23.7663 -23.7661 -23.6727 -23.6647 -2.6928 -2.6809 -2.2486 -2.2474 5.8411 5.8606 6.5358 6.5476 6.7134 6.7190 7.3605 7.3665 8.4521 8.5195 9.1871 9.2353 9.6663 9.7305 12.5199 12.5928 12.8539 12.9280 13.2122 13.2652 14.4553 14.5016 k = 0.6443-0.1369-0.4233 ( 2144 PWs) bands (ev): -50.3967 -50.3967 -26.2060 -26.2008 -23.7625 -23.7622 -23.6685 -23.6606 -2.7420 -2.7312 -2.2748 -2.2737 5.8575 5.8760 6.5700 6.5808 6.7182 6.7218 7.4455 7.4504 8.4535 8.5168 9.1915 9.2388 9.7117 9.7702 12.5333 12.6024 12.8427 12.9154 13.2086 13.2602 14.4074 14.4545 k = 0.6394-0.1278-0.4060 ( 2148 PWs) bands (ev): -50.3979 -50.3979 -26.2027 -26.1979 -23.7591 -23.7584 -23.6641 -23.6565 -2.7906 -2.7808 -2.3006 -2.2996 5.8671 5.8842 6.6046 6.6146 6.7304 6.7320 7.5314 7.5361 8.4484 8.5075 9.1943 9.2404 9.7629 9.8158 12.5512 12.6164 12.8342 12.9052 13.2045 13.2547 14.3577 14.4055 k = 0.6344-0.1186-0.3888 ( 2146 PWs) bands (ev): -50.3989 -50.3989 -26.1994 -26.1950 -23.7558 -23.7548 -23.6595 -23.6522 -2.8385 -2.8297 -2.3259 -2.3250 5.8694 5.8849 6.6397 6.6492 6.7491 6.7515 7.6177 7.6229 8.4376 8.4924 9.1955 9.2404 9.8190 9.8664 12.5733 12.6341 12.8287 12.8973 13.2000 13.2488 14.3064 14.3547 k = 0.6294-0.1095-0.3715 ( 2146 PWs) bands (ev): -50.4000 -50.4000 -26.1961 -26.1922 -23.7527 -23.7515 -23.6547 -23.6477 -2.8856 -2.8777 -2.3506 -2.3498 5.8647 5.8783 6.6757 6.6848 6.7746 6.7795 7.7037 7.7100 8.4218 8.4724 9.1951 9.2390 9.8793 9.9214 12.5989 12.6549 12.8264 12.8919 13.1954 13.2429 14.2537 14.3024 k = 0.6244-0.1004-0.3543 ( 2148 PWs) bands (ev): -50.4011 -50.4011 -26.1929 -26.1893 -23.7497 -23.7484 -23.6497 -23.6432 -2.9317 -2.9247 -2.3748 -2.3741 5.8533 5.8651 6.7127 6.7213 6.8074 6.8146 7.7893 7.7968 8.4017 8.4483 9.1934 9.2361 9.9427 9.9799 12.6275 12.6779 12.8278 12.8892 13.1910 13.2370 14.1999 14.2488 k = 0.6195-0.0913-0.3370 ( 2142 PWs) bands (ev): -50.4021 -50.4021 -26.1897 -26.1865 -23.7469 -23.7455 -23.6445 -23.6385 -2.9769 -2.9706 -2.3984 -2.3977 5.8361 5.8462 6.7507 6.7587 6.8466 6.8558 7.8740 7.8828 8.3782 8.4211 9.1904 9.2320 10.0086 10.0413 12.6585 12.7022 12.8333 12.8893 13.1869 13.2315 14.1453 14.1943 k = 0.6145-0.0822-0.3198 ( 2142 PWs) bands (ev): -50.4031 -50.4031 -26.1866 -26.1838 -23.7443 -23.7428 -23.6393 -23.6338 -3.0209 -3.0154 -2.4213 -2.4207 5.8141 5.8227 6.7898 6.7971 6.8915 6.9023 7.9573 7.9674 8.3521 8.3916 9.1862 9.2267 10.0762 10.1048 12.6911 12.7267 12.8435 12.8925 13.1834 13.2265 14.0900 14.1389 k = 0.6095-0.0730-0.3025 ( 2142 PWs) bands (ev): -50.4041 -50.4041 -26.1836 -26.1811 -23.7418 -23.7404 -23.6340 -23.6289 -3.0637 -3.0589 -2.4435 -2.4430 5.7884 5.7955 6.8297 6.8362 6.9409 6.9530 8.0388 8.0501 8.3242 8.3603 9.1809 9.2203 10.1449 10.1697 12.7248 12.7508 12.8587 12.8989 13.1805 13.2222 14.0344 14.0831 k = 0.6045-0.0639-0.2853 ( 2146 PWs) bands (ev): -50.4052 -50.4052 -26.1807 -26.1785 -23.7395 -23.7382 -23.6286 -23.6241 -3.1053 -3.1011 -2.4650 -2.4645 5.7597 5.7657 6.8703 6.8761 6.9940 7.0070 8.1177 8.1303 8.2955 8.3282 9.1746 9.2128 10.2140 10.2355 12.7583 12.7743 12.8787 12.9091 13.1786 13.2188 13.9788 14.0272 k = 0.5995-0.0548-0.2681 ( 2150 PWs) bands (ev): -50.4062 -50.4062 -26.1779 -26.1760 -23.7374 -23.7362 -23.6232 -23.6192 -3.1454 -3.1418 -2.4857 -2.4853 5.7291 5.7340 6.9115 6.9167 7.0497 7.0634 8.1919 8.2050 8.2699 8.2969 9.1673 9.2043 10.2829 10.3014 12.7885 12.7999 12.9022 12.9238 13.1778 13.2164 13.9234 13.9713 k = 0.5946-0.0457-0.2508 ( 2146 PWs) bands (ev): -50.4071 -50.4071 -26.1751 -26.1735 -23.7355 -23.7343 -23.6179 -23.6143 -3.1842 -3.1810 -2.5056 -2.5053 5.6971 5.7012 6.9532 6.9577 7.1074 7.1215 8.2212 8.2462 8.2869 8.2953 9.1592 9.1950 10.3513 10.3670 12.8127 12.8303 12.9268 12.9445 13.1782 13.2152 13.8685 13.9158 k = 0.5896-0.0366-0.2336 ( 2146 PWs) bands (ev): -50.4080 -50.4080 -26.1725 -26.1711 -23.7337 -23.7327 -23.6125 -23.6095 -3.2213 -3.2187 -2.5247 -2.5244 5.6644 5.6677 6.9952 6.9991 7.1662 7.1805 8.1954 8.2223 8.3486 8.3632 9.1503 9.1848 10.4185 10.4318 12.8352 12.8612 12.9514 12.9713 13.1800 13.2153 13.8145 13.8610 k = 0.5846-0.0275-0.2163 ( 2144 PWs) bands (ev): -50.4089 -50.4089 -26.1700 -26.1688 -23.7320 -23.7311 -23.6073 -23.6047 -3.2569 -3.2547 -2.5429 -2.5427 5.6315 5.6342 7.0374 7.0407 7.2255 7.2400 8.1657 8.1906 8.4158 8.4317 9.1408 9.1739 10.4841 10.4953 12.8582 12.8908 12.9775 13.0014 13.1832 13.2167 13.7616 13.8072 k = 0.5796-0.0183-0.1991 ( 2142 PWs) bands (ev): -50.4097 -50.4097 -26.1676 -26.1666 -23.7305 -23.7298 -23.6022 -23.5999 -3.2909 -3.2890 -2.5603 -2.5600 5.5988 5.6010 7.0794 7.0823 7.2848 7.2992 8.1359 8.1589 8.4806 8.4974 9.1307 9.1624 10.5477 10.5570 12.8823 12.9191 13.0055 13.0326 13.1878 13.2196 13.7101 13.7547 k = 0.5747-0.0092-0.1818 ( 2144 PWs) bands (ev): -50.4105 -50.4105 -26.1653 -26.1645 -23.7292 -23.7285 -23.5972 -23.5954 -3.3230 -3.3215 -2.5767 -2.5765 5.5667 5.5685 7.1212 7.1237 7.3435 7.3577 8.1067 8.1279 8.5420 8.5594 9.1202 9.1504 10.6090 10.6165 12.9077 12.9464 13.0351 13.0638 13.1941 13.2241 13.6603 13.7037 k = 0.5697-0.0001-0.1646 ( 2148 PWs) bands (ev): -50.4114 -50.4114 -26.1632 -26.1625 -23.7280 -23.7274 -23.5925 -23.5909 -3.3534 -3.3522 -2.5922 -2.5920 5.5356 5.5370 7.1625 7.1646 7.4011 7.4149 8.0787 8.0981 8.5998 8.6175 9.1094 9.1381 10.6675 10.6736 12.9341 12.9733 13.0651 13.0942 13.2018 13.2300 13.6125 13.6547 k = 0.5647 0.0090-0.1473 ( 2142 PWs) bands (ev): -50.4120 -50.4120 -26.1611 -26.1606 -23.7268 -23.7264 -23.5879 -23.5866 -3.3820 -3.3810 -2.6067 -2.6065 5.5056 5.5067 7.2030 7.2047 7.4570 7.4704 8.0519 8.0697 8.6537 8.6715 9.0985 9.1254 10.7229 10.7277 12.9616 13.0002 13.0947 13.1235 13.2109 13.2374 13.5670 13.6079 k = 0.5597 0.0181-0.1301 ( 2142 PWs) bands (ev): -50.4127 -50.4127 -26.1593 -26.1588 -23.7258 -23.7255 -23.5836 -23.5826 -3.4087 -3.4079 -2.6202 -2.6201 5.4770 5.4779 7.2424 7.2439 7.5110 7.5238 8.0267 8.0429 8.7035 8.7211 9.0876 9.1127 10.7750 10.7787 12.9897 13.0271 13.1232 13.1512 13.2212 13.2461 13.5241 13.5636 k = 0.5548 0.0273-0.1128 ( 2146 PWs) bands (ev): -50.4134 -50.4134 -26.1575 -26.1572 -23.7249 -23.7247 -23.5795 -23.5787 -3.4334 -3.4327 -2.6327 -2.6326 5.4501 5.4508 7.2805 7.2817 7.5623 7.5745 8.0032 8.0179 8.7492 8.7664 9.0769 9.1001 10.8235 10.8263 13.0180 13.0539 13.1500 13.1772 13.2326 13.2560 13.4842 13.5223 k = 0.5498 0.0364-0.0956 ( 2148 PWs) bands (ev): -50.4140 -50.4140 -26.1560 -26.1557 -23.7242 -23.7239 -23.5757 -23.5752 -3.4561 -3.4556 -2.6442 -2.6441 5.4250 5.4255 7.3169 7.3178 7.6108 7.6221 7.9817 7.9949 8.7906 8.8071 9.0667 9.0878 10.8681 10.8702 13.0462 13.0803 13.1746 13.2012 13.2446 13.2667 13.4477 13.4844 k = 0.5448 0.0455-0.0784 ( 2148 PWs) bands (ev): -50.4145 -50.4145 -26.1545 -26.1543 -23.7235 -23.7233 -23.5723 -23.5718 -3.4768 -3.4764 -2.6547 -2.6546 5.4018 5.4022 7.3512 7.3520 7.6558 7.6662 7.9622 7.9740 8.8276 8.8431 9.0572 9.0761 10.9088 10.9103 13.0738 13.1059 13.1966 13.2232 13.2570 13.2777 13.4151 13.4503 k = 0.5398 0.0546-0.0611 ( 2148 PWs) bands (ev): -50.4150 -50.4150 -26.1532 -26.1531 -23.7229 -23.7227 -23.5691 -23.5688 -3.4954 -3.4951 -2.6641 -2.6640 5.3808 5.3810 7.3833 7.3838 7.6970 7.7064 7.9450 7.9553 8.8602 8.8742 9.0488 9.0653 10.9454 10.9464 13.1001 13.1301 13.2152 13.2429 13.2693 13.2882 13.3873 13.4207 k = 0.5348 0.0637-0.0439 ( 2150 PWs) bands (ev): -50.4154 -50.4154 -26.1521 -26.1520 -23.7223 -23.7223 -23.5663 -23.5661 -3.5119 -3.5117 -2.6724 -2.6723 5.3619 5.3621 7.4126 7.4130 7.7338 7.7420 7.9304 7.9392 8.8881 8.9002 9.0420 9.0558 10.9777 10.9784 13.1247 13.1521 13.2302 13.2596 13.2810 13.2972 13.3657 13.3965 k = 0.5299 0.0729-0.0266 ( 2148 PWs) bands (ev): -50.4158 -50.4158 -26.1510 -26.1510 -23.7219 -23.7218 -23.5638 -23.5636 -3.5262 -3.5261 -2.6796 -2.6796 5.3454 5.3455 7.4389 7.4392 7.7657 7.7726 7.9186 7.9258 8.9111 8.9208 9.0372 9.0480 11.0058 11.0062 13.1470 13.1712 13.2409 13.2711 13.2919 13.3041 13.3528 13.3784 k = 0.5249 0.0820-0.0094 ( 2146 PWs) bands (ev): -50.4161 -50.4161 -26.1502 -26.1502 -23.7215 -23.7215 -23.5616 -23.5616 -3.5384 -3.5384 -2.6858 -2.6857 5.3313 5.3314 7.4618 7.4620 7.7922 7.7974 7.9100 7.9155 8.9291 8.9360 9.0348 9.0424 11.0296 11.0298 13.1664 13.1864 13.2476 13.2735 13.3026 13.3110 13.3493 13.3669 k = 0.5199 0.0911 0.0079 ( 2146 PWs) bands (ev): -50.4163 -50.4163 -26.1495 -26.1495 -23.7212 -23.7212 -23.5599 -23.5599 -3.5484 -3.5484 -2.6908 -2.6908 5.3196 5.3197 7.4811 7.4812 7.8124 7.8159 7.9053 7.9088 8.9419 8.9461 9.0348 9.0393 11.0490 11.0491 13.1822 13.1967 13.2517 13.2688 13.3134 13.3189 13.3513 13.3610 k = 0.5149 0.1002 0.0251 ( 2146 PWs) bands (ev): -50.4165 -50.4165 -26.1489 -26.1489 -23.7210 -23.7210 -23.5585 -23.5585 -3.5563 -3.5562 -2.6947 -2.6947 5.3105 5.3106 7.4963 7.4964 7.8260 7.8278 7.9042 7.9060 8.9500 8.9519 9.0365 9.0385 11.0640 11.0642 13.1934 13.2021 13.2549 13.2634 13.3228 13.3263 13.3548 13.3591 k = 0.5100 0.1093 0.0424 ( 2146 PWs) bands (ev): -50.4167 -50.4167 -26.1486 -26.1486 -23.7208 -23.7208 -23.5576 -23.5576 -3.5618 -3.5618 -2.6975 -2.6975 5.3040 5.3040 7.5074 7.5074 7.8336 7.8342 7.9056 7.9062 8.9543 8.9549 9.0387 9.0393 11.0748 11.0749 13.2000 13.2040 13.2577 13.2605 13.3302 13.3322 13.3579 13.3592 k = 0.5050 0.1185 0.0596 ( 2146 PWs) bands (ev): -50.4168 -50.4168 -26.1483 -26.1483 -23.7207 -23.7207 -23.5570 -23.5570 -3.5652 -3.5652 -2.6992 -2.6992 5.3000 5.3000 7.5141 7.5141 7.8369 7.8370 7.9076 7.9076 8.9561 8.9562 9.0404 9.0404 11.0813 11.0813 13.2028 13.2041 13.2595 13.2599 13.3349 13.3359 13.3597 13.3599 k = 0.5000 0.1276 0.0769 ( 2144 PWs) bands (ev): -50.4168 -50.4168 -26.1482 -26.1482 -23.7207 -23.7207 -23.5568 -23.5568 -3.5663 -3.5663 -2.6998 -2.6998 5.2987 5.2987 7.5164 7.5164 7.8378 7.8378 7.9084 7.9084 8.9566 8.9566 9.0410 9.0410 11.0835 11.0835 13.2038 13.2038 13.2600 13.2600 13.3368 13.3368 13.3602 13.3602 k = 0.5000 0.1276 0.0769 ( 2144 PWs) bands (ev): -50.4168 -50.4168 -26.1482 -26.1482 -23.7207 -23.7207 -23.5568 -23.5568 -3.5663 -3.5663 -2.6998 -2.6998 5.2987 5.2987 7.5164 7.5164 7.8378 7.8378 7.9084 7.9084 8.9566 8.9566 9.0410 9.0410 11.0835 11.0835 13.2038 13.2038 13.2600 13.2600 13.3368 13.3368 13.3602 13.3602 k = 0.4808 0.1227 0.0739 ( 2150 PWs) bands (ev): -50.4169 -50.4169 -26.1483 -26.1483 -23.7207 -23.7207 -23.5568 -23.5568 -3.5680 -3.5680 -2.6975 -2.6975 5.2926 5.2926 7.5244 7.5244 7.8378 7.8379 7.9085 7.9085 8.9565 8.9565 9.0407 9.0410 11.0819 11.0819 13.2030 13.2030 13.2537 13.2661 13.3377 13.3377 13.3544 13.3667 k = 0.4615 0.1178 0.0709 ( 2153 PWs) bands (ev): -50.4169 -50.4169 -26.1483 -26.1483 -23.7207 -23.7207 -23.5568 -23.5568 -3.5728 -3.5728 -2.6908 -2.6908 5.2745 5.2745 7.5479 7.5479 7.8379 7.8382 7.9089 7.9089 8.9561 8.9561 9.0401 9.0408 11.0773 11.0773 13.2009 13.2009 13.2472 13.2716 13.3402 13.3402 13.3494 13.3735 k = 0.4423 0.1129 0.0680 ( 2147 PWs) bands (ev): -50.4168 -50.4168 -26.1483 -26.1483 -23.7207 -23.7207 -23.5568 -23.5568 -3.5807 -3.5807 -2.6798 -2.6798 5.2454 5.2454 7.5862 7.5862 7.8381 7.8386 7.9096 7.9096 8.9555 8.9555 9.0393 9.0404 11.0696 11.0696 13.1976 13.1976 13.2408 13.2759 13.3442 13.3442 13.3459 13.3807 k = 0.4231 0.1079 0.0650 ( 2147 PWs) bands (ev): -50.4168 -50.4168 -26.1483 -26.1483 -23.7207 -23.7207 -23.5568 -23.5568 -3.5912 -3.5912 -2.6650 -2.6650 5.2065 5.2065 7.6377 7.6377 7.8385 7.8391 7.9107 7.9107 8.9547 8.9547 9.0383 9.0397 11.0587 11.0587 13.1933 13.1933 13.2345 13.2786 13.3443 13.3495 13.3495 13.3879 k = 0.4038 0.1030 0.0621 ( 2138 PWs) bands (ev): -50.4167 -50.4167 -26.1482 -26.1482 -23.7206 -23.7206 -23.5568 -23.5568 -3.6041 -3.6041 -2.6467 -2.6467 5.1594 5.1594 7.7006 7.7006 7.8389 7.8397 7.9126 7.9126 8.9537 8.9537 9.0370 9.0387 11.0447 11.0447 13.1882 13.1882 13.2283 13.2791 13.3451 13.3559 13.3559 13.3953 k = 0.3846 0.0981 0.0591 ( 2138 PWs) bands (ev): -50.4167 -50.4167 -26.1482 -26.1482 -23.7206 -23.7206 -23.5568 -23.5568 -3.6188 -3.6188 -2.6254 -2.6254 5.1057 5.1057 7.7722 7.7722 7.8395 7.8404 7.9162 7.9162 8.9525 8.9525 9.0356 9.0376 11.0274 11.0274 13.1825 13.1825 13.2224 13.2774 13.3484 13.3631 13.3631 13.4027 k = 0.3654 0.0932 0.0562 ( 2141 PWs) bands (ev): -50.4167 -50.4167 -26.1482 -26.1482 -23.7206 -23.7206 -23.5568 -23.5568 -3.6350 -3.6350 -2.6017 -2.6017 5.0471 5.0471 7.8402 7.8411 7.8458 7.8458 7.9269 7.9269 8.9511 8.9511 9.0339 9.0362 11.0068 11.0068 13.1765 13.1765 13.2168 13.2739 13.3538 13.3709 13.3709 13.4101 k = 0.3462 0.0883 0.0532 ( 2141 PWs) bands (ev): -50.4167 -50.4167 -26.1482 -26.1482 -23.7206 -23.7206 -23.5568 -23.5568 -3.6523 -3.6523 -2.5760 -2.5760 4.9848 4.9848 7.8409 7.8420 7.8913 7.8913 7.9730 7.9730 8.9495 8.9495 9.0322 9.0346 10.9828 10.9828 13.1701 13.1701 13.2114 13.2690 13.3606 13.3791 13.3791 13.4174 k = 0.3269 0.0834 0.0502 ( 2147 PWs) bands (ev): -50.4168 -50.4168 -26.1483 -26.1483 -23.7207 -23.7207 -23.5568 -23.5568 -3.6702 -3.6702 -2.5489 -2.5489 4.9204 4.9204 7.8418 7.8429 7.9026 7.9026 8.0594 8.0594 8.9479 8.9479 9.0303 9.0329 10.9554 10.9554 13.1637 13.1637 13.2063 13.2633 13.3685 13.3877 13.3877 13.4246 k = 0.3077 0.0785 0.0473 ( 2147 PWs) bands (ev): -50.4168 -50.4168 -26.1483 -26.1483 -23.7207 -23.7207 -23.5568 -23.5568 -3.6884 -3.6884 -2.5208 -2.5208 4.8548 4.8548 7.8427 7.8439 7.9067 7.9067 8.1581 8.1581 8.9462 8.9462 9.0283 9.0311 10.9245 10.9245 13.1572 13.1572 13.2015 13.2571 13.3771 13.3964 13.3964 13.4318 k = 0.2885 0.0736 0.0443 ( 2153 PWs) bands (ev): -50.4169 -50.4169 -26.1483 -26.1483 -23.7207 -23.7207 -23.5568 -23.5568 -3.7067 -3.7067 -2.4921 -2.4921 4.7892 4.7892 7.8436 7.8449 7.9091 7.9091 8.2622 8.2622 8.9444 8.9444 9.0262 9.0291 10.8899 10.8899 13.1508 13.1508 13.1969 13.2507 13.3860 13.4052 13.4052 13.4387 k = 0.2692 0.0687 0.0414 ( 2153 PWs) bands (ev): -50.4169 -50.4169 -26.1483 -26.1483 -23.7207 -23.7207 -23.5568 -23.5568 -3.7248 -3.7248 -2.4632 -2.4632 4.7244 4.7244 7.8446 7.8459 7.9110 7.9110 8.3699 8.3699 8.9428 8.9428 9.0241 9.0270 10.8516 10.8516 13.1445 13.1445 13.1927 13.2441 13.3952 13.4139 13.4139 13.4454 k = 0.2500 0.0638 0.0384 ( 2153 PWs) bands (ev): -50.4169 -50.4169 -26.1483 -26.1483 -23.7207 -23.7207 -23.5568 -23.5568 -3.7424 -3.7424 -2.4346 -2.4346 4.6612 4.6612 7.8457 7.8470 7.9126 7.9126 8.4799 8.4799 8.9413 8.9413 9.0219 9.0249 10.8096 10.8096 13.1383 13.1383 13.1888 13.2374 13.4044 13.4226 13.4226 13.4519 k = 0.2308 0.0589 0.0355 ( 2153 PWs) bands (ev): -50.4169 -50.4169 -26.1483 -26.1483 -23.7207 -23.7207 -23.5568 -23.5568 -3.7593 -3.7593 -2.4066 -2.4066 4.6002 4.6002 7.8467 7.8480 7.9141 7.9141 8.5913 8.5913 8.9402 8.9402 9.0198 9.0228 10.7636 10.7636 13.1325 13.1325 13.1853 13.2309 13.4135 13.4310 13.4310 13.4580 k = 0.2115 0.0540 0.0325 ( 2153 PWs) bands (ev): -50.4169 -50.4169 -26.1483 -26.1483 -23.7207 -23.7207 -23.5568 -23.5568 -3.7753 -3.7753 -2.3794 -2.3794 4.5421 4.5421 7.8478 7.8490 7.9155 7.9155 8.7028 8.7028 8.9401 8.9401 9.0178 9.0207 10.7137 10.7137 13.1269 13.1269 13.1821 13.2245 13.4224 13.4390 13.4390 13.4638 k = 0.1923 0.0491 0.0296 ( 2159 PWs) bands (ev): -50.4170 -50.4170 -26.1483 -26.1483 -23.7207 -23.7207 -23.5568 -23.5568 -3.7904 -3.7904 -2.3535 -2.3535 4.4874 4.4874 7.8488 7.8500 7.9167 7.9167 8.8111 8.8111 8.9437 8.9437 9.0158 9.0186 10.6598 10.6598 13.1216 13.1216 13.1794 13.2183 13.4311 13.4467 13.4467 13.4691 k = 0.1731 0.0442 0.0266 ( 2162 PWs) bands (ev): -50.4170 -50.4170 -26.1483 -26.1483 -23.7208 -23.7208 -23.5568 -23.5568 -3.8044 -3.8044 -2.3291 -2.3291 4.4365 4.4365 7.8498 7.8509 7.9179 7.9179 8.8956 8.8956 8.9713 8.9713 9.0139 9.0166 10.6018 10.6018 13.1167 13.1167 13.1770 13.2123 13.4395 13.4539 13.4539 13.4739 k = 0.1538 0.0393 0.0236 ( 2162 PWs) bands (ev): -50.4170 -50.4170 -26.1483 -26.1483 -23.7208 -23.7208 -23.5568 -23.5568 -3.8172 -3.8172 -2.3065 -2.3065 4.3898 4.3898 7.8507 7.8518 7.9190 7.9190 8.9175 8.9175 9.0122 9.0147 9.0610 9.0610 10.5397 10.5397 13.1123 13.1123 13.1750 13.2067 13.4474 13.4606 13.4606 13.4782 k = 0.1346 0.0343 0.0207 ( 2168 PWs) bands (ev): -50.4171 -50.4171 -26.1484 -26.1484 -23.7208 -23.7208 -23.5569 -23.5569 -3.8286 -3.8286 -2.2860 -2.2860 4.3478 4.3478 7.8516 7.8526 7.9200 7.9200 8.9206 8.9206 9.0107 9.0129 9.1687 9.1687 10.4736 10.4736 13.1082 13.1082 13.1734 13.2013 13.4547 13.4666 13.4666 13.4819 k = 0.1154 0.0294 0.0177 ( 2168 PWs) bands (ev): -50.4171 -50.4171 -26.1484 -26.1484 -23.7208 -23.7208 -23.5569 -23.5569 -3.8387 -3.8387 -2.2677 -2.2677 4.3108 4.3108 7.8524 7.8533 7.9209 7.9209 8.9209 8.9209 9.0093 9.0113 9.2781 9.2781 10.4033 10.4033 13.1047 13.1047 13.1723 13.1964 13.4616 13.4720 13.4720 13.4849 k = 0.0962 0.0245 0.0148 ( 2168 PWs) bands (ev): -50.4171 -50.4171 -26.1484 -26.1484 -23.7208 -23.7208 -23.5569 -23.5569 -3.8473 -3.8473 -2.2518 -2.2518 4.2789 4.2789 7.8531 7.8539 7.9217 7.9217 8.9205 8.9205 9.0081 9.0098 9.3867 9.3867 10.3290 10.3290 13.1016 13.1016 13.1717 13.1918 13.4677 13.4767 13.4767 13.4873 k = 0.0769 0.0196 0.0118 ( 2162 PWs) bands (ev): -50.4170 -50.4170 -26.1483 -26.1483 -23.7207 -23.7207 -23.5568 -23.5568 -3.8544 -3.8544 -2.2386 -2.2386 4.2525 4.2525 7.8537 7.8543 7.9223 7.9223 8.9200 8.9200 9.0072 9.0086 9.4936 9.4936 10.2508 10.2508 13.0991 13.0991 13.1715 13.1877 13.4732 13.4806 13.4806 13.4889 k = 0.0577 0.0147 0.0089 ( 2165 PWs) bands (ev): -50.4171 -50.4171 -26.1483 -26.1483 -23.7207 -23.7207 -23.5568 -23.5568 -3.8600 -3.8600 -2.2282 -2.2282 4.2318 4.2318 7.8542 7.8547 7.9228 7.9228 8.9194 8.9194 9.0065 9.0075 9.5983 9.5983 10.1688 10.1688 13.0971 13.0971 13.1718 13.1839 13.4780 13.4836 13.4836 13.4897 k = 0.0385 0.0098 0.0059 ( 2169 PWs) bands (ev): -50.4171 -50.4171 -26.1484 -26.1484 -23.7208 -23.7208 -23.5569 -23.5569 -3.8640 -3.8640 -2.2206 -2.2206 4.2169 4.2169 7.8546 7.8549 7.9232 7.9232 8.9190 8.9190 9.0060 9.0067 9.7001 9.7001 10.0833 10.0833 13.0957 13.0957 13.1726 13.1807 13.4819 13.4858 13.4858 13.4898 k = 0.0192 0.0049 0.0030 ( 2163 PWs) bands (ev): -50.4170 -50.4170 -26.1483 -26.1483 -23.7207 -23.7207 -23.5569 -23.5569 -3.8664 -3.8664 -2.2161 -2.2161 4.2079 4.2079 7.8549 7.8551 7.9234 7.9234 8.9187 8.9187 9.0058 9.0062 9.7980 9.7980 9.9953 9.9953 13.0948 13.0948 13.1739 13.1779 13.4851 13.4872 13.4872 13.4891 k = 0.0000 0.0000 0.0000 ( 2169 PWs) bands (ev): -50.4171 -50.4171 -26.1484 -26.1484 -23.7207 -23.7207 -23.5569 -23.5569 -3.8672 -3.8672 -2.2145 -2.2145 4.2049 4.2049 7.8550 7.8550 7.9235 7.9235 8.9186 8.9186 9.0058 9.0058 9.8716 9.8716 9.9250 9.9250 13.0945 13.0945 13.1757 13.1757 13.4875 13.4875 13.4876 13.4876 k = 0.0000 0.0000 0.0000 ( 2169 PWs) bands (ev): -50.4171 -50.4171 -26.1484 -26.1484 -23.7207 -23.7207 -23.5569 -23.5569 -3.8672 -3.8672 -2.2145 -2.2145 4.2049 4.2049 7.8550 7.8550 7.9235 7.9235 8.9186 8.9186 9.0058 9.0058 9.8716 9.8716 9.9250 9.9250 13.0945 13.0945 13.1757 13.1757 13.4875 13.4875 13.4876 13.4876 k = 0.0050-0.0092-0.0174 ( 2163 PWs) bands (ev): -50.4170 -50.4170 -26.1484 -26.1484 -23.7207 -23.7207 -23.5571 -23.5571 -3.8661 -3.8661 -2.2141 -2.2141 4.2063 4.2063 7.8542 7.8543 7.9227 7.9228 8.9149 8.9151 9.0020 9.0020 9.8702 9.8734 9.9264 9.9295 13.0948 13.0950 13.1758 13.1760 13.4821 13.4846 13.4851 13.4875 k = 0.0100-0.0184-0.0347 ( 2161 PWs) bands (ev): -50.4169 -50.4169 -26.1486 -26.1486 -23.7208 -23.7208 -23.5576 -23.5576 -3.8626 -3.8626 -2.2129 -2.2129 4.2103 4.2103 7.8510 7.8515 7.9211 7.9215 8.9035 8.9040 8.9910 8.9911 9.8695 9.8750 9.9340 9.9392 13.0948 13.0964 13.1763 13.1779 13.4683 13.4734 13.4801 13.4850 k = 0.0150-0.0275-0.0521 ( 2159 PWs) bands (ev): -50.4167 -50.4167 -26.1490 -26.1490 -23.7210 -23.7210 -23.5586 -23.5586 -3.8569 -3.8568 -2.2108 -2.2108 4.2171 4.2171 7.8435 7.8450 7.9201 7.9216 8.8839 8.8846 8.9744 8.9746 9.8696 9.8764 9.9469 9.9531 13.0932 13.0983 13.1777 13.1828 13.4463 13.4543 13.4726 13.4801 k = 0.0200-0.0367-0.0694 ( 2153 PWs) bands (ev): -50.4164 -50.4164 -26.1495 -26.1495 -23.7212 -23.7212 -23.5600 -23.5599 -3.8488 -3.8488 -2.2079 -2.2078 4.2265 4.2266 7.8301 7.8329 7.9219 7.9248 8.8554 8.8566 8.9538 8.9543 9.8703 9.8776 9.9637 9.9703 13.0887 13.0995 13.1812 13.1920 13.4168 13.4281 13.4626 13.4727 k = 0.0251-0.0459-0.0868 ( 2157 PWs) bands (ev): -50.4162 -50.4162 -26.1502 -26.1502 -23.7215 -23.7215 -23.5617 -23.5617 -3.8385 -3.8384 -2.2041 -2.2041 4.2386 4.2387 7.8101 7.8143 7.9276 7.9319 8.8183 8.8200 8.9305 8.9313 9.8715 9.8787 9.9828 9.9895 13.0811 13.0987 13.1881 13.2061 13.3802 13.3961 13.4504 13.4630 k = 0.0301-0.0551-0.1042 ( 2159 PWs) bands (ev): -50.4159 -50.4159 -26.1511 -26.1511 -23.7219 -23.7219 -23.5639 -23.5638 -3.8259 -3.8258 -2.1995 -2.1995 4.2532 4.2534 7.7840 7.7895 7.9369 7.9427 8.7736 8.7760 8.9044 8.9057 9.8728 9.8800 10.0028 10.0095 13.0707 13.0950 13.1980 13.2243 13.3375 13.3607 13.4358 13.4513 k = 0.0351-0.0643-0.1215 ( 2161 PWs) bands (ev): -50.4156 -50.4156 -26.1522 -26.1521 -23.7224 -23.7223 -23.5664 -23.5662 -3.8111 -3.8109 -2.1942 -2.1941 4.2704 4.2706 7.7524 7.7590 7.9496 7.9566 8.7229 8.7261 8.8755 8.8773 9.8742 9.8813 10.0223 10.0292 13.0584 13.0887 13.2064 13.2451 13.2895 13.3281 13.4193 13.4380 k = 0.0401-0.0734-0.1389 ( 2163 PWs) bands (ev): -50.4152 -50.4152 -26.1533 -26.1532 -23.7229 -23.7228 -23.5693 -23.5690 -3.7940 -3.7938 -2.1880 -2.1880 4.2901 4.2903 7.7161 7.7236 7.9651 7.9734 8.6674 8.6716 8.8432 8.8457 9.8756 9.8824 10.0404 10.0477 13.0448 13.0802 13.1988 13.2353 13.2691 13.3131 13.4012 13.4241 k = 0.0451-0.0826-0.1562 ( 2163 PWs) bands (ev): -50.4147 -50.4147 -26.1547 -26.1545 -23.7235 -23.7234 -23.5725 -23.5721 -3.7748 -3.7745 -2.1810 -2.1810 4.3121 4.3125 7.6754 7.6838 7.9831 7.9926 8.6084 8.6137 8.8074 8.8106 9.8766 9.8834 10.0563 10.0641 13.0299 13.0695 13.1661 13.1796 13.2939 13.3210 13.3825 13.4129 k = 0.0501-0.0918-0.1736 ( 2163 PWs) bands (ev): -50.4142 -50.4142 -26.1561 -26.1559 -23.7242 -23.7240 -23.5760 -23.5754 -3.7534 -3.7530 -2.1733 -2.1732 4.3364 4.3370 7.6308 7.6401 8.0035 8.0141 8.5467 8.5533 8.7678 8.7719 9.8773 9.8841 10.0692 10.0779 13.0124 13.0548 13.1188 13.1265 13.3168 13.3319 13.3674 13.4141 k = 0.0551-0.1010-0.1910 ( 2159 PWs) bands (ev): -50.4135 -50.4135 -26.1577 -26.1574 -23.7250 -23.7248 -23.5798 -23.5790 -3.7299 -3.7294 -2.1648 -2.1647 4.3630 4.3637 7.5829 7.5928 8.0260 8.0376 8.4830 8.4912 8.7242 8.7294 9.8774 9.8842 10.0789 10.0886 12.9868 13.0289 13.0647 13.0917 13.3114 13.3324 13.3781 13.4368 k = 0.0601-0.1102-0.2083 ( 2161 PWs) bands (ev): -50.4129 -50.4129 -26.1595 -26.1591 -23.7260 -23.7256 -23.5840 -23.5829 -3.7044 -3.7036 -2.1555 -2.1555 4.3916 4.3926 7.5320 7.5425 8.0504 8.0630 8.4179 8.4281 8.6767 8.6832 9.8767 9.8837 10.0851 10.0959 12.9445 12.9796 13.0314 13.0734 13.2899 13.3136 13.4156 13.4740 k = 0.0651-0.1193-0.2257 ( 2165 PWs) bands (ev): -50.4123 -50.4123 -26.1614 -26.1609 -23.7270 -23.7266 -23.5883 -23.5871 -3.6767 -3.6758 -2.1456 -2.1455 4.4223 4.4235 7.4785 7.4896 8.0766 8.0899 8.3520 8.3646 8.6253 8.6334 9.8750 9.8823 10.0876 10.0995 12.8883 12.9168 13.0166 13.0639 13.2637 13.2898 13.4605 13.5186 k = 0.0701-0.1285-0.2431 ( 2159 PWs) bands (ev): -50.4115 -50.4115 -26.1634 -26.1627 -23.7281 -23.7276 -23.5929 -23.5914 -3.6471 -3.6459 -2.1349 -2.1348 4.4547 4.4563 7.4228 7.4344 8.1042 8.1176 8.2854 8.3018 8.5701 8.5799 9.8721 9.8798 10.0864 10.0994 12.8262 12.8511 13.0089 13.0584 13.2353 13.2641 13.5096 13.5679 k = 0.0752-0.1377-0.2604 ( 2159 PWs) bands (ev): -50.4107 -50.4107 -26.1656 -26.1648 -23.7294 -23.7287 -23.5978 -23.5959 -3.6155 -3.6141 -2.1235 -2.1234 4.4888 4.4908 7.3654 7.3773 8.1321 8.1433 8.2188 8.2430 8.5113 8.5232 9.8678 9.8760 10.0817 10.0955 12.7620 12.7847 13.0052 13.0550 13.2057 13.2375 13.5622 13.6207 k = 0.0802-0.1469-0.2778 ( 2161 PWs) bands (ev): -50.4099 -50.4099 -26.1679 -26.1669 -23.7307 -23.7300 -23.6028 -23.6005 -3.5820 -3.5803 -2.1115 -2.1113 4.5244 4.5268 7.3067 7.3188 8.1363 8.1533 8.1666 8.2114 8.4491 8.4635 9.8619 9.8709 10.0734 10.0881 12.6974 12.7186 13.0046 13.0527 13.1758 13.2114 13.6176 13.6762 k = 0.0852-0.1561-0.2951 ( 2161 PWs) bands (ev): -50.4090 -50.4090 -26.1704 -26.1691 -23.7323 -23.7314 -23.6080 -23.6053 -3.5466 -3.5446 -2.0988 -2.0986 4.5614 4.5643 7.2471 7.2592 8.0811 8.0930 8.1962 8.2293 8.3840 8.4015 9.8542 9.8641 10.0619 10.0772 12.6336 12.6534 13.0062 13.0502 13.1464 13.1872 13.6756 13.7340 k = 0.0902-0.1652-0.3125 ( 2159 PWs) bands (ev): -50.4081 -50.4081 -26.1729 -26.1714 -23.7339 -23.7329 -23.6132 -23.6101 -3.5095 -3.5071 -2.0855 -2.0852 4.5994 4.6029 7.1870 7.1991 8.0145 8.0309 8.2253 8.2595 8.3173 8.3390 9.8444 9.8557 10.0472 10.0630 12.5712 12.5897 13.0091 13.0454 13.1189 13.1673 13.7355 13.7937 k = 0.0952-0.1744-0.3299 ( 2155 PWs) bands (ev): -50.4071 -50.4071 -26.1755 -26.1738 -23.7357 -23.7346 -23.6186 -23.6150 -3.4706 -3.4679 -2.0716 -2.0713 4.6383 4.6425 7.1268 7.1386 7.9469 7.9672 8.2312 8.2523 8.2871 8.2999 9.8325 9.8454 10.0296 10.0458 12.5109 12.5278 13.0104 13.0359 13.0957 13.1547 13.7972 13.8547 k = 0.1002-0.1836-0.3472 ( 2153 PWs) bands (ev): -50.4061 -50.4061 -26.1783 -26.1763 -23.7377 -23.7364 -23.6240 -23.6199 -3.4301 -3.4269 -2.0571 -2.0568 4.6779 4.6828 7.0669 7.0784 7.8786 7.9027 8.1694 8.1931 8.3052 8.3309 9.8183 9.8333 10.0093 10.0256 12.4531 12.4682 13.0044 13.0220 13.0817 13.1509 13.8601 13.9167 k = 0.1052-0.1928-0.3646 ( 2149 PWs) bands (ev): -50.4051 -50.4051 -26.1811 -26.1789 -23.7398 -23.7385 -23.6294 -23.6248 -3.3880 -3.3842 -2.0421 -2.0418 4.7177 4.7236 7.0078 7.0188 7.8094 7.8371 8.0981 8.1262 8.3357 8.3657 9.8019 9.8195 9.9864 10.0027 12.3980 12.4111 12.9876 13.0045 13.0810 13.1549 13.9238 13.9793 k = 0.1102-0.2020-0.3819 ( 2147 PWs) bands (ev): -50.4041 -50.4041 -26.1841 -26.1815 -23.7421 -23.7407 -23.6348 -23.6297 -3.3443 -3.3400 -2.0266 -2.0262 4.7577 4.7645 6.9499 6.9603 7.7388 7.7700 8.0264 8.0585 8.3673 8.4005 9.7833 9.8039 9.9613 9.9773 12.3460 12.3568 12.9657 12.9836 13.0905 13.1646 13.9880 14.0421 k = 0.1152-0.2111-0.3993 ( 2151 PWs) bands (ev): -50.4031 -50.4031 -26.1871 -26.1843 -23.7447 -23.7432 -23.6402 -23.6346 -3.2992 -3.2943 -2.0106 -2.0102 4.7973 4.8052 6.8937 6.9032 7.6665 7.7006 7.9562 7.9918 8.3981 8.4345 9.7627 9.7870 9.9340 9.9496 12.2971 12.3054 12.9432 12.9615 13.1058 13.1782 14.0523 14.1047 k = 0.1203-0.2203-0.4167 ( 2155 PWs) bands (ev): -50.4021 -50.4021 -26.1903 -26.1870 -23.7474 -23.7459 -23.6455 -23.6393 -3.2528 -3.2472 -1.9942 -1.9937 4.8363 4.8454 6.8396 6.8481 7.5919 7.6283 7.8888 7.9271 8.4274 8.4671 9.7404 9.7689 9.9047 9.9198 12.2514 12.2572 12.9220 12.9402 13.1245 13.1946 14.1162 14.1667 k = 0.1253-0.2295-0.4340 ( 2153 PWs) bands (ev): -50.4010 -50.4010 -26.1934 -26.1898 -23.7502 -23.7489 -23.6506 -23.6440 -3.2050 -3.1987 -1.9774 -1.9768 4.8742 4.8847 6.7881 6.7953 7.5147 7.5523 7.8252 7.8652 8.4542 8.4975 9.7169 9.7503 9.8736 9.8879 12.2083 12.2128 12.9032 12.9209 13.1457 13.2131 14.1795 14.2278 k = 0.1303-0.2387-0.4514 ( 2153 PWs) bands (ev): -50.3999 -50.3999 -26.1967 -26.1927 -23.7532 -23.7520 -23.6556 -23.6486 -3.1560 -3.1490 -1.9602 -1.9595 4.9107 4.9226 6.7396 6.7454 7.4346 7.4725 7.7662 7.8069 8.4779 8.5250 9.6926 9.7316 9.8408 9.8542 12.1669 12.1730 12.8875 12.9042 13.1686 13.2333 14.2418 14.2876 k = 0.1353-0.2479-0.4687 ( 2149 PWs) bands (ev): -50.3988 -50.3988 -26.2000 -26.1955 -23.7564 -23.7554 -23.6604 -23.6530 -3.1060 -3.0981 -1.9427 -1.9419 4.9452 4.9587 6.6946 6.6990 7.3519 7.3890 7.7119 7.7524 8.4974 8.5486 9.6681 9.7136 9.8067 9.8188 12.1278 12.1374 12.8751 12.8909 13.1931 13.2548 14.3027 14.3459 k = 0.1403-0.2570-0.4861 ( 2149 PWs) bands (ev): -50.3977 -50.3977 -26.2033 -26.1984 -23.7597 -23.7591 -23.6650 -23.6573 -3.0549 -3.0461 -1.9249 -1.9240 4.9774 4.9926 6.6536 6.6564 7.2666 7.3024 7.6623 7.7019 8.5121 8.5675 9.6442 9.6967 9.7716 9.7821 12.0916 12.1053 12.8665 12.8811 13.2186 13.2772 14.3620 14.4023 k = 0.1453-0.2662-0.5035 ( 2145 PWs) bands (ev): -50.3965 -50.3965 -26.2067 -26.2013 -23.7632 -23.7630 -23.6694 -23.6615 -3.0029 -2.9932 -1.9068 -1.9059 5.0069 5.0238 6.6165 6.6186 7.1791 7.2131 7.6172 7.6555 8.5210 8.5806 9.6213 9.6813 9.7358 9.7446 12.0584 12.0768 12.8618 12.8753 13.2450 13.3002 14.4195 14.4566 k = 0.1503-0.2754-0.5208 ( 2151 PWs) bands (ev): -50.3955 -50.3955 -26.2101 -26.2043 -23.7672 -23.7668 -23.6736 -23.6655 -2.9501 -2.9394 -1.8885 -1.8875 5.0331 5.0518 6.5834 6.5863 7.0900 7.1220 7.5761 7.6131 8.5233 8.5870 9.5994 9.6663 9.7004 9.7083 12.0286 12.0517 12.8610 12.8734 13.2719 13.3237 14.4748 14.5086 k = 0.1553-0.2846-0.5382 ( 2153 PWs) bands (ev): -50.3944 -50.3944 -26.2136 -26.2072 -23.7715 -23.7705 -23.6775 -23.6694 -2.8965 -2.8848 -1.8700 -1.8690 5.0558 5.0762 6.5548 6.5596 6.9996 7.0296 7.5389 7.5744 8.5185 8.5859 9.5775 9.6441 9.6670 9.6815 12.0022 12.0301 12.8639 12.8756 13.2991 13.3472 14.5280 14.5580 k = 0.1603-0.2938-0.5556 ( 2155 PWs) bands (ev): -50.3933 -50.3933 -26.2170 -26.2101 -23.7760 -23.7743 -23.6813 -23.6731 -2.8424 -2.8296 -1.8515 -1.8503 5.0747 5.0968 6.5315 6.5383 6.9085 6.9366 7.5054 7.5395 8.5063 8.5768 9.5529 9.6080 9.6395 9.6711 11.9796 12.0121 12.8705 12.8816 13.3264 13.3707 14.5787 14.6048 k = 0.1654-0.3029-0.5729 ( 2157 PWs) bands (ev): -50.3922 -50.3922 -26.2205 -26.2130 -23.7807 -23.7781 -23.6848 -23.6768 -2.7878 -2.7738 -1.8328 -1.8315 5.0897 5.1133 6.5134 6.5222 6.8173 6.8435 7.4752 7.5081 8.4865 8.5594 9.5225 9.5657 9.6212 9.6696 11.9609 11.9980 12.8805 12.8913 13.3534 13.3937 14.6270 14.6488 k = 0.1704-0.3121-0.5903 ( 2155 PWs) bands (ev): -50.3911 -50.3911 -26.2239 -26.2159 -23.7855 -23.7819 -23.6882 -23.6803 -2.7329 -2.7176 -1.8141 -1.8127 5.1007 5.1256 6.5002 6.5110 6.7267 6.7512 7.4483 7.4801 8.4593 8.5339 9.4857 9.5210 9.6127 9.6733 11.9465 11.9878 12.8934 12.9044 13.3799 13.4160 14.6727 14.6901 k = 0.1754-0.3213-0.6076 ( 2155 PWs) bands (ev): -50.3900 -50.3900 -26.2273 -26.2187 -23.7904 -23.7857 -23.6914 -23.6837 -2.6777 -2.6611 -1.7954 -1.7939 5.1079 5.1339 6.4906 6.5029 6.6386 6.6612 7.4246 7.4554 8.4251 8.5006 9.4443 9.4747 9.6118 9.6811 11.9366 11.9819 12.9090 12.9204 13.4057 13.4375 14.7160 14.7287 k = 0.1804-0.3305-0.6250 ( 2151 PWs) bands (ev): -50.3889 -50.3889 -26.2306 -26.2214 -23.7953 -23.7895 -23.6944 -23.6870 -2.6224 -2.6045 -1.7768 -1.7752 5.1117 5.1384 6.4780 6.4902 6.5613 6.5794 7.4039 7.4340 8.3845 8.4602 9.3999 9.4273 9.6166 9.6922 11.9314 11.9803 12.9268 12.9390 13.4304 13.4577 14.7570 14.7646 k = 0.1854-0.3397-0.6424 ( 2153 PWs) bands (ev): -50.3879 -50.3879 -26.2340 -26.2242 -23.8002 -23.7932 -23.6973 -23.6902 -2.5672 -2.5478 -1.7583 -1.7565 5.1124 5.1395 6.4301 6.4446 6.5243 6.5364 7.3863 7.4156 8.3381 8.4136 9.3536 9.3788 9.6255 9.7060 11.9311 11.9831 12.9462 12.9596 13.4537 13.4765 14.7955 14.7982 k = 0.1904-0.3488-0.6597 ( 2153 PWs) bands (ev): -50.3869 -50.3869 -26.2373 -26.2268 -23.8051 -23.7969 -23.7000 -23.6934 -2.5121 -2.4912 -1.7399 -1.7380 5.1106 5.1376 6.3499 6.3666 6.5206 6.5352 7.3715 7.4003 8.2867 8.3614 9.3058 9.3294 9.6374 9.7219 11.9358 11.9905 12.9668 12.9818 13.4755 13.4936 14.8291 14.8323 k = 0.1954-0.3580-0.6771 ( 2151 PWs) bands (ev): -50.3858 -50.3858 -26.2405 -26.2294 -23.8100 -23.8004 -23.7027 -23.6965 -2.4574 -2.4349 -1.7218 -1.7198 5.1068 5.1336 6.2648 6.2815 6.5283 6.5442 7.3596 7.3880 8.2310 8.3046 9.2569 9.2793 9.6517 9.7395 11.9455 12.0023 12.9882 13.0051 13.4954 13.5088 14.8583 14.8669 k = 0.2004-0.3672-0.6944 ( 2155 PWs) bands (ev): -50.3849 -50.3849 -26.2437 -26.2320 -23.8148 -23.8038 -23.7052 -23.6996 -2.4030 -2.3790 -1.7039 -1.7018 5.1018 5.1278 6.1800 6.1960 6.5406 6.5573 7.3505 7.3785 8.1715 8.2438 9.2071 9.2286 9.6678 9.7585 11.9602 12.0184 13.0098 13.0291 13.5132 13.5219 14.8857 14.8998 k = 0.2054-0.3764-0.7118 ( 2153 PWs) bands (ev): -50.3839 -50.3839 -26.2467 -26.2344 -23.8195 -23.8071 -23.7077 -23.7026 -2.3493 -2.3236 -1.6863 -1.6841 5.0961 5.1211 6.0964 6.1116 6.5557 6.5727 7.3441 7.3718 8.1088 8.1796 9.1566 9.1772 9.6854 9.7786 11.9796 12.0385 13.0312 13.0533 13.5287 13.5327 14.9115 14.9314 k = 0.2104-0.3856-0.7292 ( 2139 PWs) bands (ev): -50.3828 -50.3828 -26.2497 -26.2367 -23.8240 -23.8101 -23.7101 -23.7055 -2.2963 -2.2689 -1.6691 -1.6668 5.0904 5.1141 6.0145 6.0290 6.5724 6.5895 7.3403 7.3678 8.0436 8.1127 9.1056 9.1254 9.7042 9.7997 12.0033 12.0623 13.0519 13.0775 13.5408 13.5421 14.9362 14.9617 k = 0.2155-0.3947-0.7465 ( 2135 PWs) bands (ev): -50.3818 -50.3818 -26.2525 -26.2389 -23.8284 -23.8130 -23.7124 -23.7085 -2.2443 -2.2151 -1.6524 -1.6499 5.0852 5.1074 5.9348 5.9486 6.5900 6.6070 7.3390 7.3663 7.9761 8.0435 9.0541 9.0733 9.7241 9.8217 12.0310 12.0892 13.0716 13.1015 13.5469 13.5523 14.9599 14.9910 k = 0.2205-0.4039-0.7639 ( 2141 PWs) bands (ev): -50.3811 -50.3811 -26.2554 -26.2411 -23.8327 -23.8157 -23.7147 -23.7114 -2.1932 -2.1622 -1.6361 -1.6334 5.0811 5.1015 5.8573 5.8705 6.6078 6.6245 7.3401 7.3671 7.9070 7.9725 9.0024 9.0208 9.7452 9.8449 12.0620 12.1185 13.0902 13.1249 13.5504 13.5601 14.9830 15.0195 k = 0.2255-0.4131-0.7812 ( 2145 PWs) bands (ev): -50.3803 -50.3803 -26.2581 -26.2432 -23.8368 -23.8182 -23.7169 -23.7144 -2.1433 -2.1106 -1.6203 -1.6176 5.0786 5.0970 5.7824 5.7949 6.6252 6.6415 7.3434 7.3700 7.8367 7.8999 8.9504 8.9683 9.7676 9.8691 12.0955 12.1494 13.1075 13.1480 13.5513 13.5653 15.0057 15.0473 k = 0.2305-0.4223-0.7986 ( 2145 PWs) bands (ev): -50.3795 -50.3795 -26.2607 -26.2452 -23.8407 -23.8205 -23.7191 -23.7173 -2.0948 -2.0602 -1.6051 -1.6023 5.0780 5.0943 5.7101 5.7221 6.6419 6.6576 7.3488 7.3747 7.7656 7.8263 8.8984 8.9156 9.7913 9.8946 12.1307 12.1811 13.1234 13.1707 13.5499 13.5680 15.0281 15.0747 k = 0.2355-0.4315-0.8160 ( 2145 PWs) bands (ev): -50.3787 -50.3787 -26.2632 -26.2470 -23.8444 -23.8225 -23.7212 -23.7202 -2.0477 -2.0112 -1.5906 -1.5876 5.0799 5.0939 5.6407 5.6521 6.6573 6.6723 7.3561 7.3807 7.6945 7.7518 8.8465 8.8631 9.8165 9.9216 12.1665 12.2124 13.1383 13.1934 13.5461 13.5685 15.0503 15.1016 k = 0.2405-0.4406-0.8333 ( 2145 PWs) bands (ev): -50.3780 -50.3780 -26.2656 -26.2488 -23.8478 -23.8243 -23.7233 -23.7231 -2.0023 -1.9639 -1.5767 -1.5736 5.0845 5.0960 5.5743 5.5852 6.6713 6.6855 7.3646 7.3871 7.6245 7.6770 8.7947 8.8108 9.8431 9.9500 12.2017 12.2422 13.1524 13.2164 13.5404 13.5670 15.0725 15.1281 k = 0.2455-0.4498-0.8507 ( 2139 PWs) bands (ev): -50.3772 -50.3772 -26.2678 -26.2504 -23.8510 -23.8259 -23.7259 -23.7254 -1.9585 -1.9183 -1.5636 -1.5604 5.0922 5.1011 5.5109 5.5214 6.6835 6.6968 7.3730 7.3923 7.5580 7.6027 8.7433 8.7589 9.8713 9.9801 12.2351 12.2694 13.1663 13.2402 13.5330 13.5642 15.0946 15.1541 k = 0.2505-0.4590-0.8680 ( 2141 PWs) bands (ev): -50.3766 -50.3766 -26.2699 -26.2519 -23.8540 -23.8272 -23.7288 -23.7274 -1.9167 -1.8745 -1.5512 -1.5479 5.1031 5.1095 5.4508 5.4609 6.6936 6.7061 7.3719 7.3971 7.5000 7.5326 8.6924 8.7076 9.9011 10.0117 12.2653 12.2928 13.1804 13.2652 13.5241 13.5607 15.1165 15.1796 k = 0.2555-0.4682-0.8854 ( 2137 PWs) bands (ev): -50.3759 -50.3759 -26.2719 -26.2533 -23.8568 -23.8283 -23.7317 -23.7293 -1.8767 -1.8328 -1.5397 -1.5363 5.1176 5.1212 5.3941 5.4039 6.7014 6.7130 7.3414 7.4073 7.4407 7.4907 8.6422 8.6571 9.9324 10.0449 12.2909 12.3114 13.1954 13.2915 13.5145 13.5578 15.1382 15.2045 k = 0.2606-0.4774-0.9028 ( 2143 PWs) bands (ev): -50.3755 -50.3755 -26.2738 -26.2547 -23.8594 -23.8292 -23.7345 -23.7312 -1.8389 -1.7932 -1.5291 -1.5255 5.1356 5.1366 5.3409 5.3504 6.7067 6.7174 7.2862 7.3696 7.4206 7.4854 8.5928 8.6077 9.9650 10.0795 12.3109 12.3245 13.2112 13.3189 13.5047 13.5568 15.1594 15.2285 k = 0.2656-0.4865-0.9201 ( 2141 PWs) bands (ev): -50.3749 -50.3749 -26.2755 -26.2559 -23.8616 -23.8298 -23.7373 -23.7331 -1.8032 -1.7557 -1.5193 -1.5157 5.1552 5.1574 5.2914 5.3007 6.7090 6.7189 7.2219 7.2971 7.4350 7.4931 8.5446 8.5595 9.9988 10.1154 12.3242 12.3316 13.2277 13.3461 13.4963 13.5598 15.1799 15.2515 k = 0.2706-0.4957-0.9375 ( 2141 PWs) bands (ev): -50.3744 -50.3744 -26.2771 -26.2569 -23.8637 -23.8301 -23.7401 -23.7349 -1.7698 -1.7206 -1.5105 -1.5068 5.1765 5.1818 5.2469 5.2562 6.7077 6.7171 7.1560 7.2258 7.4497 7.5053 8.4978 8.5131 10.0334 10.1523 12.3303 12.3328 13.2437 13.3703 13.4919 13.5692 15.1995 15.2733 k = 0.2756-0.5049-0.9549 ( 2141 PWs) bands (ev): -50.3740 -50.3740 -26.2785 -26.2579 -23.8655 -23.8303 -23.7428 -23.7366 -1.7387 -1.6879 -1.5026 -1.4989 5.1873 5.1942 5.2220 5.2297 6.7017 6.7114 7.0918 7.1570 7.4642 7.5191 8.4527 8.4686 10.0686 10.1898 12.3273 12.3302 13.2577 13.3864 13.4965 13.5874 15.2179 15.2936 k = 0.2806-0.5141-0.9722 ( 2143 PWs) bands (ev): -50.3736 -50.3736 -26.2799 -26.2588 -23.8671 -23.8302 -23.7455 -23.7383 -1.7099 -1.6576 -1.4957 -1.4920 5.1577 5.1650 5.2442 5.2538 6.6897 6.7011 7.0316 7.0922 7.4780 7.5330 8.4098 8.4266 10.1038 10.2276 12.3174 12.3229 13.2679 13.3910 13.5140 13.6152 15.2348 15.3121 k = 0.2856-0.5233-0.9896 ( 2147 PWs) bands (ev): -50.3733 -50.3733 -26.2811 -26.2596 -23.8685 -23.8300 -23.7482 -23.7398 -1.6835 -1.6298 -1.4899 -1.4861 5.1235 5.1310 5.2783 5.2909 6.6696 6.6849 6.9780 7.0330 7.4905 7.5463 8.3695 8.3874 10.1388 10.2652 12.3032 12.3102 13.2736 13.3865 13.5431 13.6519 15.2499 15.3285 k = 0.2906-0.5324-1.0069 ( 2149 PWs) bands (ev): -50.3730 -50.3730 -26.2821 -26.2603 -23.8697 -23.8296 -23.7507 -23.7413 -1.6596 -1.6045 -1.4851 -1.4812 5.0920 5.0995 5.3174 5.3329 6.6401 6.6610 6.9331 6.9816 7.5012 7.5579 8.3325 8.3515 10.1728 10.3019 12.2858 12.2933 13.2751 13.3775 13.5802 13.6951 15.2630 15.3427 k = 0.2956-0.5416-1.0243 ( 2149 PWs) bands (ev): -50.3727 -50.3727 -26.2831 -26.2609 -23.8707 -23.8291 -23.7531 -23.7427 -1.6380 -1.5817 -1.4813 -1.4774 5.0641 5.0715 5.3607 5.3789 6.6008 6.6282 6.8977 6.9393 7.5094 7.5671 8.2992 8.3195 10.2054 10.3373 12.2664 12.2735 13.2734 13.3667 13.6223 13.7426 15.2737 15.3542 k = 0.3006-0.5508-1.0417 ( 2143 PWs) bands (ev): -50.3724 -50.3724 -26.2838 -26.2613 -23.8714 -23.8284 -23.7553 -23.7439 -1.6189 -1.5615 -1.4785 -1.4746 5.0396 5.0470 5.4076 5.4284 6.5531 6.5868 6.8712 6.9066 7.5147 7.5732 8.2705 8.2917 10.2359 10.3706 12.2463 12.2523 13.2700 13.3559 13.6674 13.7920 15.2818 15.3629 k = 0.3057-0.5600-1.0590 ( 2149 PWs) bands (ev): -50.3723 -50.3723 -26.2845 -26.2618 -23.8721 -23.8278 -23.7573 -23.7450 -1.6021 -1.5437 -1.4768 -1.4729 5.0188 5.0261 5.4577 5.4810 6.4999 6.5386 6.8515 6.8820 7.5164 7.5754 8.2468 8.2687 10.2638 10.4012 12.2265 12.2313 13.2658 13.3458 13.7137 13.8418 15.2870 15.3685 k = 0.3107-0.5692-1.0764 ( 2149 PWs) bands (ev): -50.3721 -50.3721 -26.2851 -26.2621 -23.8726 -23.8270 -23.7592 -23.7459 -1.5877 -1.5285 -1.4761 -1.4722 5.0015 5.0088 5.5101 5.5358 6.4441 6.4864 6.8365 6.8635 7.5141 7.5731 8.2286 8.2506 10.2885 10.4284 12.2081 12.2121 13.2619 13.3372 13.7595 13.8904 15.2892 15.3708 k = 0.3157-0.5783-1.0937 ( 2145 PWs) bands (ev): -50.3719 -50.3719 -26.2855 -26.2623 -23.8729 -23.8263 -23.7607 -23.7467 -1.5755 -1.5156 -1.4764 -1.4725 4.9878 4.9950 5.5636 5.5915 6.3886 6.4335 6.8247 6.8494 7.5078 7.5661 8.2161 8.2376 10.3095 10.4517 12.1918 12.1961 13.2591 13.3304 13.8036 13.9365 15.2881 15.3696 k = 0.3207-0.5875-1.1111 ( 2143 PWs) bands (ev): -50.3718 -50.3718 -26.2858 -26.2625 -23.8731 -23.8257 -23.7620 -23.7473 -1.5655 -1.5051 -1.4777 -1.4738 4.9775 4.9847 5.6165 5.6463 6.3363 6.3831 6.8151 6.8382 7.4973 7.5543 8.2092 8.2296 10.3264 10.4704 12.1789 12.1843 13.2580 13.3260 13.8447 13.9790 15.2838 15.3650 k = 0.3257-0.5967-1.1285 ( 2141 PWs) bands (ev): -50.3717 -50.3717 -26.2860 -26.2626 -23.8732 -23.8252 -23.7628 -23.7477 -1.5577 -1.4970 -1.4799 -1.4760 4.9706 4.9778 5.6657 5.6971 6.2910 6.3394 6.8071 6.8291 7.4830 7.5382 8.2076 8.2262 10.3387 10.4841 12.1702 12.1771 13.2590 13.3241 13.8817 14.0169 15.2761 15.3567 k = 0.3307-0.6059-1.1458 ( 2135 PWs) bands (ev): -50.3716 -50.3716 -26.2860 -26.2626 -23.8732 -23.8249 -23.7633 -23.7479 -1.5519 -1.4910 -1.4830 -1.4791 4.9669 4.9742 5.7063 5.7390 6.2578 6.3076 6.8004 6.8216 7.4653 7.5181 8.2104 8.2268 10.3465 10.4927 12.1667 12.1749 13.2624 13.3251 13.9138 14.0493 15.2651 15.3449 k = 0.3357-0.6151-1.1632 ( 2135 PWs) bands (ev): -50.3716 -50.3716 -26.2860 -26.2626 -23.8732 -23.8249 -23.7633 -23.7479 -1.5481 -1.4875 -1.4871 -1.4827 4.9664 4.9737 5.7321 5.7658 6.2430 6.2941 6.7950 6.8155 7.4448 7.4950 8.2169 8.2308 10.3497 10.4960 12.1687 12.1781 13.2687 13.3293 13.9403 14.0755 15.2509 15.3296 k = 0.3407-0.6242-1.1805 ( 2143 PWs) bands (ev): -50.3717 -50.3717 -26.2860 -26.2626 -23.8732 -23.8253 -23.7629 -23.7477 -1.5461 -1.4919 -1.4890 -1.4841 4.9689 4.9763 5.7375 5.7720 6.2519 6.3043 6.7910 6.8109 7.4220 7.4694 8.2263 8.2376 10.3485 10.4944 12.1762 12.1866 13.2779 13.3368 13.9605 14.0949 15.2336 15.3110 k = 0.6593-0.4967-1.1037 ( 2143 PWs) bands (ev): -50.3717 -50.3717 -26.2860 -26.2626 -23.8732 -23.8253 -23.7629 -23.7477 -1.5461 -1.4919 -1.4890 -1.4841 4.9689 4.9763 5.7375 5.7720 6.2519 6.3043 6.7910 6.8109 7.4220 7.4694 8.2263 8.2376 10.3485 10.4944 12.1762 12.1866 13.2779 13.3368 13.9605 14.0949 15.2336 15.3110 k = 0.6543-0.4772-1.1037 ( 2143 PWs) bands (ev): -50.3718 -50.3718 -26.2858 -26.2625 -23.8732 -23.8258 -23.7619 -23.7473 -1.5459 -1.4975 -1.4942 -1.4843 4.9741 4.9816 5.7223 5.7573 6.2843 6.3378 6.7892 6.8081 7.3979 7.4424 8.2376 8.2463 10.3432 10.4882 12.1889 12.2004 13.2903 13.3477 13.9741 14.1072 15.2135 15.2892 k = 0.6493-0.4577-1.1037 ( 2151 PWs) bands (ev): -50.3720 -50.3720 -26.2856 -26.2624 -23.8732 -23.8267 -23.7606 -23.7466 -1.5472 -1.5038 -1.5003 -1.4860 4.9819 4.9896 5.6907 5.7261 6.3350 6.3892 6.7904 6.8078 7.3728 7.4144 8.2503 8.2563 10.3343 10.4779 12.2065 12.2192 13.3059 13.3621 13.9812 14.1124 15.1906 15.2643 k = 0.6443-0.4382-1.1037 ( 2149 PWs) bands (ev): -50.3720 -50.3720 -26.2852 -26.2623 -23.8732 -23.8279 -23.7587 -23.7457 -1.5500 -1.5107 -1.5072 -1.4891 4.9922 5.0000 5.6485 5.6839 6.3967 6.4509 6.7969 6.8115 7.3473 7.3861 8.2636 8.2671 10.3225 10.4642 12.2284 12.2425 13.3247 13.3802 13.9818 14.1106 15.1650 15.2364 k = 0.6394-0.4186-1.1037 ( 2149 PWs) bands (ev): -50.3722 -50.3722 -26.2848 -26.2621 -23.8732 -23.8293 -23.7565 -23.7445 -1.5542 -1.5182 -1.5147 -1.4937 5.0047 5.0126 5.5999 5.6351 6.4621 6.5144 6.8126 6.8220 7.3220 7.3579 8.2769 8.2783 10.3081 10.4478 12.2540 12.2698 13.3466 13.4019 13.9764 14.1021 15.1368 15.2057 k = 0.6344-0.3991-1.1037 ( 2145 PWs) bands (ev): -50.3722 -50.3722 -26.2843 -26.2619 -23.8732 -23.8309 -23.7539 -23.7431 -1.5596 -1.5263 -1.5226 -1.4996 5.0191 5.0271 5.5479 5.5826 6.5234 6.5704 6.8435 6.8444 7.2974 7.3305 8.2887 8.2906 10.2919 10.4293 12.2826 12.3005 13.3714 13.4271 13.9656 14.0875 15.1060 15.1722 k = 0.6294-0.3796-1.1037 ( 2146 PWs) bands (ev): -50.3724 -50.3724 -26.2838 -26.2617 -23.8733 -23.8326 -23.7510 -23.7414 -1.5661 -1.5349 -1.5311 -1.5066 5.0351 5.0434 5.4943 5.5283 6.5724 6.6108 6.8829 6.8972 7.2741 7.3042 8.2990 8.3030 10.2743 10.4094 12.3136 12.3340 13.3987 13.4556 13.9504 14.0675 15.0726 15.1360 k = 0.6244-0.3601-1.1037 ( 2148 PWs) bands (ev): -50.3726 -50.3726 -26.2832 -26.2615 -23.8734 -23.8346 -23.7479 -23.7396 -1.5735 -1.5438 -1.5398 -1.5147 5.0525 5.0611 5.4402 5.4734 6.6045 6.6346 6.9421 6.9714 7.2530 7.2798 8.3085 8.3145 10.2560 10.3886 12.3463 12.3695 13.4277 13.4871 13.9319 14.0432 15.0368 15.0973 k = 0.6195-0.3406-1.1037 ( 2144 PWs) bands (ev): -50.3728 -50.3728 -26.2826 -26.2613 -23.8736 -23.8366 -23.7446 -23.7375 -1.5817 -1.5531 -1.5490 -1.5237 5.0708 5.0798 5.3866 5.4187 6.6218 6.6466 7.0170 7.0599 7.2358 7.2587 8.3168 8.3249 10.2372 10.3675 12.3803 12.4064 13.4573 13.5209 13.9121 14.0159 14.9986 15.0561 k = 0.6145-0.3211-1.1037 ( 2144 PWs) bands (ev): -50.3730 -50.3730 -26.2819 -26.2611 -23.8739 -23.8387 -23.7411 -23.7352 -1.5906 -1.5626 -1.5584 -1.5335 5.0893 5.0991 5.3342 5.3651 6.6293 6.6512 7.0953 7.1524 7.2280 7.2479 8.3238 8.3339 10.2185 10.3465 12.4148 12.4440 13.4854 13.5559 13.8936 13.9873 14.9581 15.0126 k = 0.6095-0.3016-1.1037 ( 2144 PWs) bands (ev): -50.3732 -50.3732 -26.2812 -26.2609 -23.8742 -23.8409 -23.7376 -23.7328 -1.6000 -1.5724 -1.5679 -1.5439 5.1070 5.1182 5.2844 5.3137 6.6310 6.6513 7.1446 7.1950 7.2655 7.2896 8.3294 8.3414 10.2000 10.3258 12.4495 12.4819 13.5091 13.5901 13.8799 13.9601 14.9154 14.9669 k = 0.6045-0.2821-1.1037 ( 2142 PWs) bands (ev): -50.3734 -50.3734 -26.2804 -26.2607 -23.8745 -23.8431 -23.7339 -23.7301 -1.6098 -1.5823 -1.5777 -1.5548 5.1206 5.1351 5.2399 5.2665 6.6292 6.6484 7.1512 7.1861 7.3530 7.3905 8.3333 8.3473 10.1821 10.3058 12.4837 12.5195 13.5242 13.6199 13.8758 13.9384 14.8708 14.9193 k = 0.5995-0.2626-1.1037 ( 2142 PWs) bands (ev): -50.3736 -50.3736 -26.2796 -26.2606 -23.8749 -23.8453 -23.7302 -23.7274 -1.6198 -1.5924 -1.5875 -1.5661 5.1215 5.1429 5.2093 5.2307 6.6252 6.6435 7.1458 7.1740 7.4571 7.5022 8.3356 8.3516 10.1648 10.2864 12.5170 12.5563 13.5271 13.6398 13.8854 13.9283 14.8245 14.8701 k = 0.5946-0.2431-1.1037 ( 2142 PWs) bands (ev): -50.3738 -50.3738 -26.2788 -26.2604 -23.8753 -23.8475 -23.7265 -23.7246 -1.6301 -1.6024 -1.5974 -1.5776 5.0984 5.1251 5.2062 5.2202 6.6197 6.6371 7.1395 7.1636 7.5671 7.6171 8.3363 8.3545 10.1482 10.2679 12.5489 12.5917 13.5170 13.6440 13.9101 13.9360 14.7770 14.8196 k = 0.5896-0.2236-1.1037 ( 2144 PWs) bands (ev): -50.3741 -50.3741 -26.2780 -26.2603 -23.8757 -23.8497 -23.7229 -23.7217 -1.6404 -1.6124 -1.6072 -1.5893 5.0610 5.0878 5.2199 5.2299 6.6130 6.6295 7.1351 7.1559 7.6797 7.7335 8.3353 8.3563 10.1322 10.2501 12.5790 12.6254 13.4960 13.6316 13.9481 13.9626 14.7285 14.7681 k = 0.5846-0.2041-1.1037 ( 2146 PWs) bands (ev): -50.3743 -50.3743 -26.2772 -26.2603 -23.8761 -23.8518 -23.7193 -23.7188 -1.6506 -1.6224 -1.6169 -1.6009 5.0201 5.0458 5.2380 5.2462 6.6053 6.6209 7.1332 7.1514 7.7929 7.8502 8.3327 8.3576 10.1169 10.2329 12.6069 12.6568 13.4679 13.6070 13.9961 14.0037 14.6798 14.7162 k = 0.5796-0.1846-1.1037 ( 2144 PWs) bands (ev): -50.3745 -50.3745 -26.2763 -26.2602 -23.8766 -23.8539 -23.7159 -23.7157 -1.6607 -1.6323 -1.6264 -1.6123 4.9793 5.0037 5.2569 5.2643 6.5969 6.6116 7.1344 7.1501 7.9049 7.9660 8.3289 8.3596 10.1020 10.2163 12.6322 12.6854 13.4360 13.5758 14.0512 14.0540 14.6313 14.6646 k = 0.5747-0.1650-1.1037 ( 2148 PWs) bands (ev): -50.3748 -50.3748 -26.2755 -26.2602 -23.8770 -23.8560 -23.7129 -23.7123 -1.6705 -1.6421 -1.6357 -1.6235 4.9398 4.9629 5.2758 5.2826 6.5880 6.6018 7.1386 7.1521 8.0127 8.0792 8.3246 8.3653 10.0874 10.2000 12.6545 12.7107 13.4027 13.5416 14.1083 14.1117 14.5842 14.6141 k = 0.5697-0.1455-1.1037 ( 2148 PWs) bands (ev): -50.3750 -50.3750 -26.2747 -26.2602 -23.8774 -23.8580 -23.7100 -23.7090 -1.6800 -1.6519 -1.6446 -1.6342 4.9021 4.9238 5.2939 5.3003 6.5787 6.5915 7.1458 7.1572 8.1095 8.1854 8.3224 8.3822 10.0728 10.1836 12.6736 12.7323 13.3699 13.5068 14.1641 14.1740 14.5397 14.5664 k = 0.5647-0.1260-1.1037 ( 2152 PWs) bands (ev): -50.3753 -50.3753 -26.2738 -26.2602 -23.8778 -23.8600 -23.7072 -23.7058 -1.6891 -1.6615 -1.6532 -1.6444 4.8666 4.8868 5.3111 5.3171 6.5691 6.5809 7.1559 7.1654 8.1811 8.2633 8.3428 8.4245 10.0580 10.1670 12.6892 12.7495 13.3392 13.4731 14.2157 14.2362 14.4995 14.5259 k = 0.5597-0.1065-1.1037 ( 2152 PWs) bands (ev): -50.3755 -50.3755 -26.2730 -26.2603 -23.8782 -23.8618 -23.7044 -23.7028 -1.6977 -1.6709 -1.6613 -1.6539 4.8333 4.8521 5.3272 5.3328 6.5594 6.5704 7.1685 7.1763 8.2165 8.2770 8.4239 8.5003 10.0426 10.1497 12.7012 12.7621 13.3118 13.4413 14.2546 14.2916 14.4679 14.5019 k = 0.5548-0.0870-1.1037 ( 2154 PWs) bands (ev): -50.3757 -50.3757 -26.2722 -26.2604 -23.8785 -23.8636 -23.7018 -23.7001 -1.7058 -1.6802 -1.6690 -1.6627 4.8024 4.8197 5.3421 5.3472 6.5499 6.5599 7.1834 7.1896 8.2263 8.2697 8.5249 8.5959 10.0264 10.1315 12.7096 12.7697 13.2885 13.4122 14.2694 14.3217 14.4618 14.5066 k = 0.5498-0.0675-1.1037 ( 2148 PWs) bands (ev): -50.3758 -50.3758 -26.2713 -26.2606 -23.8787 -23.8653 -23.6992 -23.6974 -1.7133 -1.6892 -1.6761 -1.6708 4.7740 4.7898 5.3556 5.3603 6.5406 6.5497 7.2000 7.2048 8.2240 8.2580 8.6286 8.6978 10.0090 10.1118 12.7146 12.7724 13.2699 13.3860 14.2591 14.3102 14.4977 14.5397 k = 0.5448-0.0480-1.1037 ( 2144 PWs) bands (ev): -50.3759 -50.3759 -26.2705 -26.2607 -23.8788 -23.8669 -23.6968 -23.6950 -1.7201 -1.6978 -1.6826 -1.6781 4.7482 4.7624 5.3678 5.3721 6.5317 6.5400 7.2178 7.2216 8.2162 8.2444 8.7312 8.7999 9.9902 10.0905 12.7164 12.7704 13.2560 13.3631 14.2348 14.2787 14.5543 14.5888 k = 0.5398-0.0285-1.1037 ( 2146 PWs) bands (ev): -50.3761 -50.3761 -26.2697 -26.2610 -23.8789 -23.8684 -23.6946 -23.6929 -1.7261 -1.7059 -1.6885 -1.6847 4.7250 4.7377 5.3787 5.3824 6.5235 6.5308 7.2364 7.2393 8.2056 8.2298 8.8310 8.8995 9.9697 10.0670 12.7156 12.7647 13.2465 13.3432 14.2059 14.2431 14.6152 14.6436 k = 0.5348-0.0090-1.1037 ( 2148 PWs) bands (ev): -50.3763 -50.3763 -26.2689 -26.2612 -23.8790 -23.8698 -23.6927 -23.6910 -1.7314 -1.7134 -1.6938 -1.6906 4.7045 4.7157 5.3881 5.3915 6.5159 6.5223 7.2550 7.2574 8.1939 8.2149 8.9270 8.9950 9.9476 10.0414 12.7128 12.7560 13.2410 13.3262 14.1767 14.2084 14.6752 14.6988 k = 0.5299 0.0105-1.1037 ( 2154 PWs) bands (ev): -50.3765 -50.3765 -26.2682 -26.2616 -23.8790 -23.8711 -23.6909 -23.6894 -1.7359 -1.7203 -1.6984 -1.6957 4.6868 4.6964 5.3963 5.3991 6.5092 6.5147 7.2731 7.2752 8.1820 8.2001 9.0180 9.0849 9.9239 10.0133 12.7087 12.7456 13.2386 13.3118 14.1496 14.1763 14.7317 14.7513 k = 0.5249 0.0300-1.1037 ( 2158 PWs) bands (ev): -50.3767 -50.3767 -26.2675 -26.2620 -23.8789 -23.8724 -23.6893 -23.6880 -1.7396 -1.7264 -1.7023 -1.7001 4.6718 4.6798 5.4031 5.4055 6.5034 6.5080 7.2900 7.2919 8.1707 8.1860 9.1030 9.1677 9.8993 9.9830 12.7041 12.7345 13.2387 13.2995 14.1257 14.1478 14.7829 14.7990 k = 0.5199 0.0495-1.1037 ( 2160 PWs) bands (ev): -50.3768 -50.3768 -26.2668 -26.2624 -23.8787 -23.8735 -23.6880 -23.6869 -1.7424 -1.7317 -1.7054 -1.7037 4.6597 4.6661 5.4087 5.4106 6.4987 6.5024 7.3050 7.3068 8.1606 8.1731 9.1807 9.2412 9.8750 9.9508 12.6996 12.7237 13.2406 13.2890 14.1059 14.1234 14.8275 14.8403 k = 0.5149 0.0690-1.1037 ( 2158 PWs) bands (ev): -50.3768 -50.3768 -26.2661 -26.2628 -23.8784 -23.8745 -23.6869 -23.6861 -1.7442 -1.7362 -1.7079 -1.7066 4.6504 4.6552 5.4130 5.4145 6.4950 6.4978 7.3177 7.3192 8.1524 8.1620 9.2494 9.3025 9.8531 9.9178 12.6961 12.7139 13.2438 13.2800 14.0904 14.1036 14.8641 14.8736 k = 0.5100 0.0886-1.1037 ( 2156 PWs) bands (ev): -50.3768 -50.3768 -26.2655 -26.2632 -23.8780 -23.8754 -23.6861 -23.6855 -1.7452 -1.7398 -1.7096 -1.7087 4.6440 4.6472 5.4162 5.4171 6.4925 6.4943 7.3273 7.3284 8.1467 8.1531 9.3067 9.3476 9.8372 9.8858 12.6939 12.7056 13.2481 13.2720 14.0798 14.0886 14.8915 14.8979 k = 0.5050 0.1081-1.1037 ( 2156 PWs) bands (ev): -50.3769 -50.3769 -26.2649 -26.2637 -23.8775 -23.8762 -23.6855 -23.6852 -1.7452 -1.7425 -1.7105 -1.7101 4.6405 4.6421 5.4182 5.4186 6.4912 6.4921 7.3335 7.3340 8.1437 8.1469 9.3491 9.3719 9.8314 9.8580 12.6936 12.6994 13.2530 13.2650 14.0743 14.0786 14.9090 14.9122 k = 0.5000 0.1276-1.1037 ( 2158 PWs) bands (ev): -50.3769 -50.3769 -26.2643 -26.2643 -23.8769 -23.8769 -23.6852 -23.6852 -1.7443 -1.7443 -1.7107 -1.7107 4.6398 4.6398 5.4190 5.4190 6.4910 6.4910 7.3357 7.3357 8.1438 8.1438 9.3721 9.3721 9.8386 9.8386 12.6954 12.6954 13.2587 13.2587 14.0738 14.0738 14.9160 14.9160 k = 0.5000 0.1276-1.1037 ( 2158 PWs) bands (ev): -50.3769 -50.3769 -26.2643 -26.2643 -23.8769 -23.8769 -23.6852 -23.6852 -1.7443 -1.7443 -1.7107 -1.7107 4.6398 4.6398 5.4190 5.4190 6.4910 6.4910 7.3357 7.3357 8.1438 8.1438 9.3721 9.3721 9.8386 9.8386 12.6954 12.6954 13.2587 13.2587 14.0738 14.0738 14.9160 14.9160 k = 0.5177 0.1321-1.0952 ( 2151 PWs) bands (ev): -50.3768 -50.3768 -26.2643 -26.2643 -23.8769 -23.8769 -23.6852 -23.6852 -1.7473 -1.7430 -1.7122 -1.7078 4.6393 4.6400 5.4192 5.4197 6.4899 6.4900 7.3355 7.3355 8.1451 8.1460 9.3725 9.3731 9.8383 9.8384 12.6952 12.6958 13.2583 13.2605 14.0722 14.0764 14.9140 14.9147 k = 0.5354 0.1366-1.0866 ( 2151 PWs) bands (ev): -50.3768 -50.3768 -26.2642 -26.2642 -23.8768 -23.8768 -23.6852 -23.6852 -1.7515 -1.7438 -1.7120 -1.7042 4.6383 4.6397 5.4203 5.4214 6.4867 6.4867 7.3347 7.3348 8.1501 8.1519 9.3742 9.3754 9.8375 9.8376 12.6951 12.6963 13.2593 13.2637 14.0716 14.0799 14.9087 14.9101 k = 0.5531 0.1411-1.0781 ( 2151 PWs) bands (ev): -50.3768 -50.3768 -26.2642 -26.2642 -23.8767 -23.8767 -23.6852 -23.6852 -1.7564 -1.7465 -1.7101 -1.7002 4.6369 4.6389 5.4225 5.4240 6.4815 6.4815 7.3335 7.3335 8.1586 8.1613 9.3772 9.3790 9.8361 9.8362 12.6951 12.6969 13.2616 13.2681 14.0721 14.0843 14.9002 14.9023 k = 0.5708 0.1456-1.0695 ( 2153 PWs) bands (ev): -50.3769 -50.3769 -26.2641 -26.2641 -23.8766 -23.8766 -23.6852 -23.6852 -1.7618 -1.7507 -1.7072 -1.6960 4.6352 4.6378 5.4256 5.4275 6.4742 6.4743 7.3318 7.3319 8.1705 8.1740 9.3815 9.3838 9.8341 9.8343 12.6954 12.6977 13.2650 13.2732 14.0740 14.0899 14.8886 14.8914 k = 0.5885 0.1501-1.0610 ( 2151 PWs) bands (ev): -50.3769 -50.3769 -26.2641 -26.2641 -23.8765 -23.8765 -23.6852 -23.6852 -1.7676 -1.7558 -1.7036 -1.6918 4.6331 4.6362 5.4297 5.4319 6.4652 6.4654 7.3298 7.3298 8.1856 8.1899 9.3869 9.3898 9.8316 9.8318 12.6957 12.6986 13.2691 13.2789 14.0777 14.0967 14.8742 14.8776 k = 0.6062 0.1547-1.0525 ( 2151 PWs) bands (ev): -50.3769 -50.3769 -26.2640 -26.2640 -23.8764 -23.8763 -23.6852 -23.6852 -1.7739 -1.7617 -1.6997 -1.6875 4.6307 4.6342 5.4348 5.4372 6.4545 6.4550 7.3273 7.3273 8.2037 8.2086 9.3934 9.3968 9.8285 9.8288 12.6963 12.6997 13.2735 13.2845 14.0833 14.1049 14.8570 14.8610 k = 0.6239 0.1592-1.0439 ( 2145 PWs) bands (ev): -50.3768 -50.3768 -26.2639 -26.2639 -23.8761 -23.8761 -23.6851 -23.6851 -1.7805 -1.7681 -1.6956 -1.6832 4.6280 4.6319 5.4410 5.4435 6.4424 6.4432 7.3246 7.3246 8.2245 8.2299 9.4008 9.4048 9.8248 9.8251 12.6970 12.7008 13.2778 13.2894 14.0913 14.1150 14.8374 14.8420 k = 0.6416 0.1637-1.0354 ( 2145 PWs) bands (ev): -50.3769 -50.3769 -26.2637 -26.2637 -23.8759 -23.8759 -23.6851 -23.6851 -1.7874 -1.7750 -1.6914 -1.6789 4.6251 4.6292 5.4481 5.4506 6.4292 6.4304 7.3215 7.3215 8.2476 8.2536 9.4091 9.4137 9.8204 9.8208 12.6979 12.7021 13.2814 13.2933 14.1020 14.1269 14.8157 14.8207 k = 0.6593 0.1682-1.0268 ( 2151 PWs) bands (ev): -50.3770 -50.3770 -26.2637 -26.2636 -23.8757 -23.8757 -23.6851 -23.6851 -1.7946 -1.7823 -1.6872 -1.6747 4.6220 4.6262 5.4562 5.4586 6.4151 6.4166 7.3183 7.3183 8.2728 8.2793 9.4180 9.4232 9.8154 9.8158 12.6989 12.7035 13.2838 13.2954 14.1156 14.1411 14.7921 14.7976 k = 0.6593 0.1682-1.0268 ( 2151 PWs) bands (ev): -50.3770 -50.3770 -26.2637 -26.2636 -23.8757 -23.8757 -23.6851 -23.6851 -1.7946 -1.7823 -1.6872 -1.6747 4.6220 4.6262 5.4562 5.4586 6.4151 6.4166 7.3183 7.3183 8.2728 8.2793 9.4180 9.4232 9.8154 9.8158 12.6989 12.7035 13.2838 13.2954 14.1156 14.1411 14.7921 14.7976 k = 0.6564 0.1675-1.0068 ( 2147 PWs) bands (ev): -50.3771 -50.3771 -26.2631 -26.2630 -23.8746 -23.8746 -23.6850 -23.6850 -1.7992 -1.7872 -1.6986 -1.6864 4.6384 4.6424 5.4614 5.4633 6.4230 6.4246 7.3238 7.3239 8.2684 8.2750 9.4124 9.4174 9.8124 9.8127 12.6947 12.6993 13.2924 13.3049 14.0983 14.1238 14.7893 14.7948 k = 0.6535 0.1667-0.9867 ( 2151 PWs) bands (ev): -50.3774 -50.3774 -26.2623 -26.2623 -23.8732 -23.8732 -23.6849 -23.6849 -1.8072 -1.7957 -1.7117 -1.7001 4.6586 4.6625 5.4701 5.4717 6.4329 6.4345 7.3312 7.3312 8.2655 8.2723 9.4049 9.4097 9.8053 9.8053 12.6892 12.6939 13.2976 13.3109 14.0801 14.1053 14.7854 14.7909 k = 0.6506 0.1660-0.9666 ( 2152 PWs) bands (ev): -50.3777 -50.3777 -26.2614 -26.2614 -23.8714 -23.8714 -23.6847 -23.6847 -1.8183 -1.8076 -1.7263 -1.7155 4.6826 4.6863 5.4823 5.4834 6.4447 6.4462 7.3403 7.3403 8.2641 8.2710 9.3954 9.4002 9.7940 9.7941 12.6827 12.6873 13.2994 13.3135 14.0608 14.0855 14.7804 14.7859 k = 0.6477 0.1653-0.9466 ( 2149 PWs) bands (ev): -50.3780 -50.3780 -26.2602 -26.2602 -23.8693 -23.8692 -23.6845 -23.6845 -1.8328 -1.8229 -1.7424 -1.7326 4.7103 4.7138 5.4979 5.4986 6.4582 6.4597 7.3511 7.3512 8.2642 8.2714 9.3841 9.3889 9.7789 9.7792 12.6752 12.6798 13.2984 13.3130 14.0402 14.0643 14.7742 14.7797 k = 0.6448 0.1645-0.9265 ( 2135 PWs) bands (ev): -50.3782 -50.3782 -26.2589 -26.2589 -23.8667 -23.8667 -23.6842 -23.6842 -1.8505 -1.8417 -1.7598 -1.7511 4.7416 4.7449 5.5167 5.5171 6.4733 6.4747 7.3638 7.3639 8.2660 8.2733 9.3709 9.3756 9.7604 9.7609 12.6670 12.6715 13.2948 13.3099 14.0182 14.0416 14.7669 14.7724 k = 0.6419 0.1638-0.9064 ( 2135 PWs) bands (ev): -50.3787 -50.3787 -26.2574 -26.2574 -23.8639 -23.8639 -23.6840 -23.6840 -1.8715 -1.8640 -1.7783 -1.7708 4.7763 4.7793 5.5387 5.5387 6.4898 6.4910 7.3782 7.3783 8.2694 8.2769 9.3557 9.3604 9.7390 9.7397 12.6582 12.6628 13.2890 13.3045 13.9945 14.0171 14.7584 14.7638 k = 0.6390 0.1630-0.8864 ( 2137 PWs) bands (ev): -50.3793 -50.3793 -26.2558 -26.2558 -23.8609 -23.8609 -23.6837 -23.6837 -1.8958 -1.8895 -1.7977 -1.7915 4.8142 4.8170 5.5634 5.5637 6.5075 6.5085 7.3943 7.3944 8.2744 8.2821 9.3385 9.3432 9.7152 9.7161 12.6492 12.6537 13.2815 13.2973 13.9690 13.9908 14.7486 14.7541 k = 0.6361 0.1623-0.8663 ( 2136 PWs) bands (ev): -50.3798 -50.3798 -26.2540 -26.2540 -23.8575 -23.8575 -23.6833 -23.6833 -1.9233 -1.9182 -1.8181 -1.8131 4.8551 4.8577 5.5910 5.5916 6.5261 6.5269 7.4121 7.4122 8.2811 8.2891 9.3195 9.3242 9.6896 9.6907 12.6402 12.6447 13.2726 13.2888 13.9416 13.9626 14.7376 14.7430 k = 0.6332 0.1616-0.8462 ( 2140 PWs) bands (ev): -50.3805 -50.3805 -26.2521 -26.2521 -23.8538 -23.8538 -23.6829 -23.6829 -1.9539 -1.9499 -1.8393 -1.8354 4.8988 4.9012 5.6213 5.6222 6.5452 6.5458 7.4316 7.4318 8.2895 8.2977 9.2984 9.3031 9.6629 9.6643 12.6314 12.6359 13.2627 13.2792 13.9120 13.9323 14.7253 14.7307 k = 0.6303 0.1608-0.8262 ( 2142 PWs) bands (ev): -50.3812 -50.3812 -26.2500 -26.2500 -23.8499 -23.8499 -23.6824 -23.6824 -1.9874 -1.9843 -1.8613 -1.8583 4.9452 4.9473 5.6543 5.6554 6.5645 6.5649 7.4528 7.4530 8.2996 8.3081 9.2755 9.2802 9.6358 9.6375 12.6230 12.6275 13.2521 13.2689 13.8804 13.9001 14.7116 14.7170 k = 0.6274 0.1601-0.8061 ( 2144 PWs) bands (ev): -50.3820 -50.3820 -26.2478 -26.2478 -23.8457 -23.8457 -23.6819 -23.6819 -2.0235 -2.0212 -1.8840 -1.8818 4.9939 4.9958 5.6898 5.6911 6.5836 6.5838 7.4756 7.4759 8.3115 8.3203 9.2506 9.2554 9.6091 9.6111 12.6153 12.6198 13.2410 13.2582 13.8466 13.8658 14.6966 14.7019 k = 0.6245 0.1593-0.7860 ( 2142 PWs) bands (ev): -50.3827 -50.3827 -26.2455 -26.2454 -23.8412 -23.8412 -23.6813 -23.6813 -2.0621 -2.0604 -1.9075 -1.9058 5.0448 5.0464 5.7275 5.7290 6.6021 6.6022 7.5001 7.5003 8.3252 8.3342 9.2239 9.2287 9.5837 9.5860 12.6086 12.6130 13.2296 13.2473 13.8107 13.8296 14.6801 14.6854 k = 0.6216 0.1586-0.7660 ( 2144 PWs) bands (ev): -50.3835 -50.3835 -26.2430 -26.2430 -23.8366 -23.8365 -23.6806 -23.6806 -2.1029 -2.1016 -1.9315 -1.9304 5.0975 5.0989 5.7674 5.7690 6.6195 6.6197 7.5261 7.5264 8.3406 8.3499 9.1954 9.2002 9.5603 9.5629 12.6029 12.6074 13.2181 13.2363 13.7729 13.7916 14.6621 14.6675 k = 0.6187 0.1579-0.7459 ( 2136 PWs) bands (ev): -50.3842 -50.3842 -26.2404 -26.2404 -23.8317 -23.8317 -23.6797 -23.6797 -2.1455 -2.1446 -1.9562 -1.9554 5.1518 5.1530 5.8092 5.8109 6.6355 6.6359 7.5537 7.5541 8.3579 8.3674 9.1651 9.1699 9.5398 9.5427 12.5986 12.6031 13.2066 13.2254 13.7332 13.7520 14.6427 14.6480 k = 0.6158 0.1571-0.7258 ( 2135 PWs) bands (ev): -50.3851 -50.3851 -26.2377 -26.2377 -23.8267 -23.8266 -23.6788 -23.6788 -2.1898 -2.1892 -1.9814 -1.9808 5.2073 5.2083 5.8528 5.8546 6.6498 6.6503 7.5829 7.5833 8.3770 8.3866 9.1332 9.1380 9.5228 9.5262 12.5958 12.6004 13.1952 13.2148 13.6920 13.7108 14.6217 14.6271 k = 0.6129 0.1564-0.7058 ( 2130 PWs) bands (ev): -50.3859 -50.3859 -26.2349 -26.2349 -23.8214 -23.8214 -23.6778 -23.6778 -2.2356 -2.2351 -2.0070 -2.0067 5.2638 5.2647 5.8980 5.8999 6.6620 6.6627 7.6135 7.6140 8.3978 8.4076 9.0996 9.1044 9.5103 9.5141 12.5947 12.5992 13.1840 13.2044 13.6493 13.6685 14.5992 14.6045 k = 0.6100 0.1556-0.6857 ( 2129 PWs) bands (ev): -50.3869 -50.3869 -26.2320 -26.2320 -23.8162 -23.8161 -23.6767 -23.6767 -2.2826 -2.2823 -2.0330 -2.0328 5.3209 5.3216 5.9446 5.9466 6.6720 6.6727 7.6456 7.6461 8.4204 8.4304 9.0645 9.0693 9.5028 9.5070 12.5953 12.5998 13.1730 13.1943 13.6054 13.6252 14.5751 14.5805 k = 0.6071 0.1549-0.6656 ( 2129 PWs) bands (ev): -50.3878 -50.3878 -26.2291 -26.2291 -23.8108 -23.8107 -23.6755 -23.6755 -2.3306 -2.3304 -2.0592 -2.0592 5.3781 5.3787 5.9925 5.9946 6.6796 6.6804 7.6791 7.6797 8.4448 8.4548 9.0280 9.0327 9.5009 9.5055 12.5978 12.6023 13.1622 13.1846 13.5608 13.5813 14.5494 14.5548 k = 0.6043 0.1542-0.6456 ( 2137 PWs) bands (ev): -50.3890 -50.3890 -26.2261 -26.2261 -23.8054 -23.8054 -23.6741 -23.6741 -2.3793 -2.3793 -2.0858 -2.0857 5.4351 5.4355 6.0415 6.0436 6.6848 6.6857 7.7140 7.7146 8.4708 8.4809 8.9901 8.9948 9.5051 9.5100 12.6022 12.6068 13.1516 13.1753 13.5156 13.5370 14.5221 14.5274 k = 0.6014 0.1534-0.6255 ( 2135 PWs) bands (ev): -50.3900 -50.3900 -26.2231 -26.2230 -23.7999 -23.7999 -23.6725 -23.6725 -2.4288 -2.4287 -2.1125 -2.1123 5.4912 5.4914 6.0914 6.0935 6.6880 6.6888 7.7501 7.7508 8.4984 8.5085 8.9510 8.9558 9.5156 9.5209 12.6085 12.6132 13.1412 13.1664 13.4702 13.4928 14.4931 14.4985 k = 0.5985 0.1527-0.6054 ( 2137 PWs) bands (ev): -50.3910 -50.3910 -26.2200 -26.2200 -23.7945 -23.7945 -23.6708 -23.6707 -2.4786 -2.4786 -2.1392 -2.1390 5.5457 5.5459 6.1420 6.1442 6.6896 6.6903 7.7876 7.7883 8.5275 8.5375 8.9109 8.9158 9.5326 9.5381 12.6169 12.6216 13.1308 13.1578 13.4250 13.4492 14.4625 14.4680 k = 0.5956 0.1520-0.5854 ( 2138 PWs) bands (ev): -50.3921 -50.3921 -26.2168 -26.2168 -23.7891 -23.7891 -23.6688 -23.6688 -2.5288 -2.5287 -2.1660 -2.1657 5.5980 5.5981 6.1933 6.1956 6.6903 6.6908 7.8262 7.8270 8.5577 8.5678 8.8699 8.8750 9.5560 9.5618 12.6273 12.6321 13.1205 13.1495 13.3805 13.4065 14.4303 14.4358 k = 0.5927 0.1512-0.5653 ( 2144 PWs) bands (ev): -50.3933 -50.3933 -26.2137 -26.2137 -23.7839 -23.7838 -23.6667 -23.6666 -2.5790 -2.5789 -2.1926 -2.1923 5.6471 5.6471 6.2451 6.2474 6.6909 6.6912 7.8659 7.8669 8.5887 8.5989 8.8284 8.8339 9.5857 9.5917 12.6397 12.6445 13.1100 13.1414 13.3372 13.3653 14.3965 14.4021 k = 0.5898 0.1505-0.5452 ( 2142 PWs) bands (ev): -50.3943 -50.3943 -26.2105 -26.2105 -23.7787 -23.7787 -23.6642 -23.6642 -2.6292 -2.6290 -2.2190 -2.2188 5.6920 5.6920 6.2972 6.2996 6.6927 6.6928 7.9066 7.9078 8.6196 8.6303 8.7870 8.7933 9.6216 9.6276 12.6540 12.6588 13.0993 13.1333 13.2956 13.3262 14.3611 14.3668 k = 0.5869 0.1497-0.5252 ( 2142 PWs) bands (ev): -50.3954 -50.3954 -26.2073 -26.2073 -23.7737 -23.7737 -23.6615 -23.6615 -2.6791 -2.6790 -2.2453 -2.2450 5.7315 5.7315 6.3496 6.3521 6.6968 6.6970 7.9484 7.9496 8.6478 8.6594 8.7480 8.7557 9.6631 9.6692 12.6701 12.6750 13.0879 13.1247 13.2566 13.2898 14.3243 14.3299 k = 0.5840 0.1490-0.5051 ( 2142 PWs) bands (ev): -50.3965 -50.3965 -26.2042 -26.2042 -23.7689 -23.7689 -23.6586 -23.6586 -2.7286 -2.7285 -2.2713 -2.2710 5.7645 5.7645 6.4021 6.4047 6.7046 6.7051 7.9910 7.9924 8.6611 8.6708 8.7270 8.7333 9.7099 9.7160 12.6880 12.6930 13.0757 13.1148 13.2214 13.2569 14.2859 14.2917 k = 0.5811 0.1483-0.4850 ( 2138 PWs) bands (ev): -50.3975 -50.3975 -26.2010 -26.2010 -23.7644 -23.7644 -23.6553 -23.6553 -2.7777 -2.7776 -2.2969 -2.2966 5.7900 5.7900 6.4547 6.4574 6.7176 6.7184 8.0343 8.0360 8.6398 8.6422 8.7456 8.7460 9.7614 9.7675 12.7077 12.7127 13.0622 13.1022 13.1919 13.2281 14.2461 14.2520 k = 0.5782 0.1475-0.4650 ( 2142 PWs) bands (ev): -50.3987 -50.3987 -26.1979 -26.1979 -23.7601 -23.7601 -23.6519 -23.6519 -2.8261 -2.8260 -2.3221 -2.3218 5.8072 5.8073 6.5073 6.5101 6.7368 6.7380 8.0783 8.0804 8.6015 8.6021 8.7741 8.7769 9.8171 9.8231 12.7288 12.7340 13.0475 13.0855 13.1700 13.2041 14.2050 14.2110 k = 0.5753 0.1468-0.4449 ( 2142 PWs) bands (ev): -50.3998 -50.3998 -26.1948 -26.1948 -23.7561 -23.7561 -23.6481 -23.6481 -2.8738 -2.8737 -2.3468 -2.3465 5.8159 5.8160 6.5597 6.5626 6.7628 6.7643 8.1227 8.1253 8.5589 8.5610 8.8059 8.8094 9.8764 9.8823 12.7514 12.7566 13.0318 13.0649 13.1558 13.1849 14.1627 14.1688 k = 0.5724 0.1460-0.4248 ( 2142 PWs) bands (ev): -50.4008 -50.4008 -26.1917 -26.1917 -23.7523 -23.7523 -23.6441 -23.6441 -2.9206 -2.9205 -2.3710 -2.3708 5.8162 5.8164 6.6121 6.6149 6.7958 6.7974 8.1674 8.1707 8.5160 8.5193 8.8381 8.8418 9.9388 9.9445 12.7753 12.7805 13.0156 13.0425 13.1475 13.1704 14.1192 14.1255 k = 0.5695 0.1453-0.4048 ( 2141 PWs) bands (ev): -50.4019 -50.4019 -26.1887 -26.1887 -23.7489 -23.7489 -23.6398 -23.6398 -2.9664 -2.9663 -2.3947 -2.3944 5.8090 5.8092 6.6642 6.6669 6.8352 6.8369 8.2119 8.2163 8.4734 8.4781 8.8696 8.8732 10.0036 10.0091 12.8003 12.8054 13.0000 13.0210 13.1432 13.1599 14.0748 14.0813 k = 0.5666 0.1446-0.3847 ( 2143 PWs) bands (ev): -50.4030 -50.4030 -26.1858 -26.1857 -23.7457 -23.7457 -23.6354 -23.6354 -3.0112 -3.0110 -2.4177 -2.4175 5.7951 5.7953 6.7159 6.7185 6.8805 6.8821 8.2553 8.2620 8.4314 8.4386 8.8997 8.9032 10.0703 10.0756 12.8260 12.8310 12.9860 13.0018 13.1416 13.1529 14.0295 14.0362 k = 0.5637 0.1438-0.3646 ( 2147 PWs) bands (ev): -50.4041 -50.4041 -26.1829 -26.1829 -23.7429 -23.7429 -23.6308 -23.6308 -3.0547 -3.0546 -2.4401 -2.4399 5.7757 5.7759 6.7673 6.7696 6.9305 6.9321 8.2944 8.3068 8.3913 8.4042 8.9281 8.9314 10.1382 10.1432 12.8523 12.8569 12.9746 12.9864 13.1421 13.1488 13.9835 13.9904 k = 0.5608 0.1431-0.3446 ( 2149 PWs) bands (ev): -50.4051 -50.4051 -26.1801 -26.1801 -23.7403 -23.7402 -23.6260 -23.6260 -3.0970 -3.0968 -2.4618 -2.4616 5.7519 5.7522 6.8181 6.8202 6.9844 6.9858 8.3135 8.3352 8.3683 8.3907 8.9543 8.9574 10.2068 10.2115 12.8786 12.8823 12.9669 12.9758 13.1443 13.1472 13.9370 13.9442 k = 0.5579 0.1423-0.3245 ( 2149 PWs) bands (ev): -50.4061 -50.4061 -26.1774 -26.1773 -23.7379 -23.7379 -23.6211 -23.6211 -3.1378 -3.1377 -2.4827 -2.4825 5.7249 5.7252 6.8684 6.8701 7.0412 7.0425 8.2943 8.3048 8.4050 8.4161 8.9780 8.9809 10.2755 10.2799 12.9037 12.9051 12.9642 12.9722 13.1477 13.1482 13.8902 13.8976 k = 0.5550 0.1416-0.3044 ( 2148 PWs) bands (ev): -50.4070 -50.4070 -26.1747 -26.1747 -23.7358 -23.7357 -23.6162 -23.6162 -3.1773 -3.1771 -2.5029 -2.5027 5.6956 5.6958 6.9179 6.9194 7.1001 7.1011 8.2614 8.2672 8.4497 8.4563 8.9991 9.0017 10.3439 10.3478 12.9222 12.9250 12.9695 12.9789 13.1502 13.1535 13.8432 13.8510 k = 0.5521 0.1409-0.2844 ( 2140 PWs) bands (ev): -50.4078 -50.4078 -26.1721 -26.1721 -23.7338 -23.7338 -23.6112 -23.6112 -3.2151 -3.2150 -2.5222 -2.5220 5.6647 5.6650 6.9666 6.9679 7.1602 7.1610 8.2263 8.2302 8.4947 8.4992 9.0172 9.0196 10.4113 10.4148 12.9325 12.9396 12.9854 12.9967 13.1544 13.1603 13.7963 13.8045 k = 0.5492 0.1401-0.2643 ( 2139 PWs) bands (ev): -50.4087 -50.4087 -26.1697 -26.1697 -23.7321 -23.7320 -23.6063 -23.6063 -3.2514 -3.2513 -2.5406 -2.5405 5.6330 5.6332 7.0145 7.0155 7.2208 7.2214 8.1915 8.1944 8.5391 8.5427 9.0323 9.0345 10.4773 10.4804 12.9405 12.9506 13.0086 13.0209 13.1603 13.1684 13.7498 13.7584 k = 0.5463 0.1394-0.2442 ( 2142 PWs) bands (ev): -50.4096 -50.4096 -26.1674 -26.1673 -23.7305 -23.7305 -23.6014 -23.6014 -3.2859 -3.2858 -2.5582 -2.5580 5.6011 5.6013 7.0613 7.0621 7.2812 7.2818 8.1578 8.1600 8.5828 8.5857 9.0443 9.0463 10.5414 10.5441 12.9498 12.9623 13.0347 13.0476 13.1678 13.1779 13.7038 13.7129 k = 0.5434 0.1387-0.2242 ( 2144 PWs) bands (ev): -50.4104 -50.4104 -26.1651 -26.1651 -23.7291 -23.7291 -23.5967 -23.5967 -3.3187 -3.3186 -2.5749 -2.5747 5.5693 5.5696 7.1070 7.1077 7.3410 7.3414 8.1255 8.1272 8.6254 8.6278 9.0533 9.0551 10.6032 10.6055 12.9617 12.9764 13.0614 13.0751 13.1767 13.1885 13.6587 13.6684 k = 0.5405 0.1379-0.2041 ( 2145 PWs) bands (ev): -50.4112 -50.4112 -26.1631 -26.1630 -23.7279 -23.7279 -23.5921 -23.5921 -3.3497 -3.3496 -2.5906 -2.5904 5.5383 5.5385 7.1515 7.1520 7.3996 7.3999 8.0947 8.0961 8.6668 8.6688 9.0593 9.0609 10.6623 10.6642 12.9764 12.9932 13.0878 13.1025 13.1869 13.2002 13.6148 13.6252 k = 0.5376 0.1372-0.1840 ( 2143 PWs) bands (ev): -50.4119 -50.4119 -26.1611 -26.1611 -23.7268 -23.7267 -23.5876 -23.5876 -3.3788 -3.3787 -2.6053 -2.6052 5.5082 5.5084 7.1945 7.1950 7.4565 7.4567 8.0657 8.0669 8.7066 8.7083 9.0626 9.0640 10.7184 10.7199 12.9938 13.0126 13.1135 13.1296 13.1982 13.2128 13.5723 13.5836 k = 0.5348 0.1364-0.1640 ( 2150 PWs) bands (ev): -50.4127 -50.4127 -26.1593 -26.1592 -23.7258 -23.7258 -23.5834 -23.5834 -3.4059 -3.4058 -2.6190 -2.6189 5.4795 5.4797 7.2359 7.2363 7.5112 7.5113 8.0386 8.0396 8.7445 8.7460 9.0635 9.0647 10.7711 10.7723 13.0134 13.0341 13.1381 13.1558 13.2106 13.2260 13.5317 13.5439 k = 0.5319 0.1357-0.1439 ( 2148 PWs) bands (ev): -50.4133 -50.4133 -26.1575 -26.1575 -23.7249 -23.7249 -23.5794 -23.5794 -3.4311 -3.4310 -2.6317 -2.6316 5.4523 5.4525 7.2756 7.2759 7.5632 7.5633 8.0135 8.0143 8.7804 8.7817 9.0621 9.0632 10.8201 10.8210 13.0350 13.0571 13.1611 13.1810 13.2238 13.2396 13.4932 13.5066 k = 0.5290 0.1350-0.1238 ( 2150 PWs) bands (ev): -50.4140 -50.4140 -26.1560 -26.1560 -23.7241 -23.7241 -23.5757 -23.5757 -3.4542 -3.4541 -2.6434 -2.6433 5.4269 5.4270 7.3132 7.3134 7.6122 7.6122 7.9905 7.9912 8.8139 8.8151 9.0591 9.0600 10.8654 10.8660 13.0577 13.0811 13.1824 13.2048 13.2375 13.2532 13.4574 13.4721 k = 0.5261 0.1342-0.1038 ( 2148 PWs) bands (ev): -50.4145 -50.4145 -26.1545 -26.1545 -23.7234 -23.7234 -23.5723 -23.5723 -3.4752 -3.4752 -2.6540 -2.6539 5.4034 5.4035 7.3485 7.3486 7.6576 7.6576 7.9697 7.9703 8.8447 8.8457 9.0548 9.0556 10.9066 10.9070 13.0811 13.1053 13.2014 13.2268 13.2514 13.2662 13.4248 13.4410 k = 0.5232 0.1335-0.0837 ( 2148 PWs) bands (ev): -50.4149 -50.4149 -26.1532 -26.1532 -23.7228 -23.7228 -23.5691 -23.5691 -3.4942 -3.4941 -2.6635 -2.6635 5.3821 5.3822 7.3812 7.3813 7.6989 7.6990 7.9514 7.9519 8.8724 8.8732 9.0499 9.0506 10.9436 10.9438 13.1045 13.1289 13.2177 13.2467 13.2653 13.2781 13.3963 13.4141 k = 0.5203 0.1327-0.0636 ( 2142 PWs) bands (ev): -50.4153 -50.4153 -26.1520 -26.1520 -23.7223 -23.7223 -23.5663 -23.5663 -3.5110 -3.5109 -2.6720 -2.6719 5.3629 5.3630 7.4111 7.4112 7.7358 7.7359 7.9356 7.9360 8.8966 8.8973 9.0449 9.0455 10.9764 10.9764 13.1271 13.1508 13.2309 13.2634 13.2787 13.2882 13.3735 13.3921 k = 0.5174 0.1320-0.0436 ( 2143 PWs) bands (ev): -50.4157 -50.4157 -26.1510 -26.1510 -23.7219 -23.7218 -23.5638 -23.5638 -3.5256 -3.5255 -2.6793 -2.6793 5.3461 5.3462 7.4378 7.4379 7.7676 7.7677 7.9227 7.9230 8.9168 8.9174 9.0406 9.0411 11.0048 11.0048 13.1481 13.1701 13.2406 13.2740 13.2915 13.2970 13.3584 13.3757 k = 0.5145 0.1313-0.0235 ( 2145 PWs) bands (ev): -50.4160 -50.4160 -26.1502 -26.1502 -23.7215 -23.7215 -23.5617 -23.5617 -3.5380 -3.5380 -2.6856 -2.6855 5.3318 5.3319 7.4611 7.4611 7.7938 7.7939 7.9130 7.9133 8.9326 8.9330 9.0378 9.0381 11.0288 11.0289 13.1668 13.1856 13.2470 13.2750 13.3033 13.3068 13.3523 13.3653 k = 0.5116 0.1305-0.0034 ( 2143 PWs) bands (ev): -50.4163 -50.4163 -26.1495 -26.1495 -23.7212 -23.7212 -23.5599 -23.5599 -3.5482 -3.5481 -2.6907 -2.6906 5.3200 5.3200 7.4806 7.4806 7.8136 7.8136 7.9071 7.9073 8.9438 8.9441 9.0367 9.0369 11.0485 11.0486 13.1822 13.1963 13.2512 13.2696 13.3139 13.3169 13.3526 13.3602 k = 0.5087 0.1298 0.0166 ( 2142 PWs) bands (ev): -50.4165 -50.4165 -26.1489 -26.1489 -23.7210 -23.7210 -23.5585 -23.5585 -3.5561 -3.5561 -2.6946 -2.6946 5.3107 5.3107 7.4960 7.4961 7.8266 7.8267 7.9050 7.9052 8.9508 8.9509 9.0374 9.0375 11.0638 11.0638 13.1934 13.2019 13.2546 13.2638 13.3230 13.3256 13.3553 13.3587 k = 0.5058 0.1290 0.0367 ( 2142 PWs) bands (ev): -50.4166 -50.4166 -26.1485 -26.1485 -23.7208 -23.7208 -23.5576 -23.5576 -3.5618 -3.5618 -2.6975 -2.6975 5.3041 5.3041 7.5073 7.5073 7.8338 7.8338 7.9059 7.9059 8.9545 8.9546 9.0390 9.0390 11.0747 11.0748 13.2000 13.2039 13.2576 13.2605 13.3302 13.3320 13.3580 13.3590 k = 0.5029 0.1283 0.0568 ( 2146 PWs) bands (ev): -50.4168 -50.4168 -26.1483 -26.1483 -23.7207 -23.7207 -23.5570 -23.5570 -3.5652 -3.5652 -2.6992 -2.6992 5.3001 5.3001 7.5141 7.5141 7.8370 7.8370 7.9076 7.9076 8.9562 8.9562 9.0404 9.0404 11.0813 11.0813 13.2028 13.2041 13.2595 13.2599 13.3349 13.3358 13.3597 13.3598 k = 0.5000 0.1276 0.0769 ( 2144 PWs) bands (ev): -50.4168 -50.4168 -26.1482 -26.1482 -23.7207 -23.7207 -23.5568 -23.5568 -3.5663 -3.5663 -2.6998 -2.6998 5.2987 5.2987 7.5164 7.5164 7.8378 7.8378 7.9084 7.9084 8.9566 8.9566 9.0410 9.0410 11.0835 11.0835 13.2038 13.2038 13.2600 13.2600 13.3368 13.3368 13.3602 13.3602 k = 0.5000-0.9161-0.5518 ( 2158 PWs) bands (ev): -50.3769 -50.3769 -26.2643 -26.2643 -23.8769 -23.8769 -23.6852 -23.6852 -1.8510 -1.8510 -1.5904 -1.5904 4.4909 4.4909 5.5984 5.5984 6.1748 6.1748 7.2469 7.2469 8.7451 8.7451 9.5739 9.5739 9.6821 9.6821 12.7426 12.7426 13.1190 13.1190 14.4426 14.4426 14.5655 14.5655 k = 0.5177-0.9090-0.5476 ( 2160 PWs) bands (ev): -50.3769 -50.3769 -26.2643 -26.2643 -23.8769 -23.8769 -23.6853 -23.6853 -1.8513 -1.8503 -1.5913 -1.5903 4.4914 4.4917 5.5972 5.5979 6.1753 6.1765 7.2472 7.2472 8.7420 8.7432 9.5721 9.5751 9.6819 9.6836 12.7421 12.7428 13.1199 13.1203 14.4437 14.4443 14.5629 14.5641 k = 0.5354-0.9019-0.5433 ( 2162 PWs) bands (ev): -50.3770 -50.3770 -26.2643 -26.2643 -23.8769 -23.8769 -23.6853 -23.6853 -1.8511 -1.8492 -1.5927 -1.5907 4.4930 4.4935 5.5946 5.5959 6.1780 6.1804 7.2481 7.2481 8.7341 8.7365 9.5696 9.5754 9.6833 9.6864 12.7411 12.7425 13.1229 13.1237 14.4476 14.4489 14.5564 14.5588 k = 0.5531-0.8948-0.5390 ( 2163 PWs) bands (ev): -50.3770 -50.3770 -26.2643 -26.2643 -23.8769 -23.8769 -23.6853 -23.6853 -1.8505 -1.8477 -1.5948 -1.5918 4.4957 4.4965 5.5904 5.5923 6.1829 6.1864 7.2495 7.2496 8.7215 8.7250 9.5665 9.5746 9.6863 9.6905 12.7398 12.7419 13.1280 13.1291 14.4541 14.4559 14.5462 14.5500 k = 0.5708-0.8877-0.5348 ( 2161 PWs) bands (ev): -50.3770 -50.3770 -26.2643 -26.2643 -23.8768 -23.8768 -23.6853 -23.6853 -1.8495 -1.8458 -1.5974 -1.5935 4.4994 4.5006 5.5850 5.5872 6.1899 6.1943 7.2516 7.2517 8.7047 8.7091 9.5626 9.5723 9.6910 9.6959 12.7382 12.7409 13.1352 13.1365 14.4626 14.4647 14.5331 14.5385 k = 0.5885-0.8806-0.5305 ( 2159 PWs) bands (ev): -50.3769 -50.3769 -26.2643 -26.2643 -23.8768 -23.8768 -23.6853 -23.6853 -1.8481 -1.8434 -1.6007 -1.5958 4.5043 4.5057 5.5783 5.5808 6.1988 6.2040 7.2542 7.2543 8.6839 8.6892 9.5575 9.5684 9.6975 9.7026 12.7362 12.7395 13.1441 13.1455 14.4705 14.4729 14.5193 14.5265 k = 0.6062-0.8735-0.5262 ( 2158 PWs) bands (ev): -50.3769 -50.3769 -26.2642 -26.2642 -23.8768 -23.8768 -23.6852 -23.6852 -1.8462 -1.8407 -1.6045 -1.5987 4.5101 4.5118 5.5707 5.5732 6.2097 6.2153 7.2573 7.2574 8.6597 8.6658 9.5513 9.5627 9.7056 9.7105 12.7340 12.7378 13.1547 13.1561 14.4691 14.4729 14.5139 14.5219 k = 0.6239-0.8664-0.5220 ( 2158 PWs) bands (ev): -50.3769 -50.3769 -26.2642 -26.2642 -23.8767 -23.8767 -23.6852 -23.6852 -1.8440 -1.8376 -1.6089 -1.6022 4.5168 4.5189 5.5622 5.5646 6.2222 6.2281 7.2609 7.2610 8.6326 8.6392 9.5439 9.5553 9.7149 9.7193 12.7315 12.7358 13.1667 13.1678 14.4516 14.4583 14.5238 14.5310 k = 0.6416-0.8594-0.5177 ( 2158 PWs) bands (ev): -50.3770 -50.3770 -26.2642 -26.2642 -23.8767 -23.8767 -23.6852 -23.6852 -1.8413 -1.8341 -1.6139 -1.6063 4.5244 4.5268 5.5531 5.5552 6.2362 6.2422 7.2650 7.2651 8.6031 8.6100 9.5353 9.5465 9.7250 9.7289 12.7287 12.7335 13.1798 13.1805 14.4257 14.4350 14.5414 14.5483 k = 0.6593-0.8523-0.5134 ( 2161 PWs) bands (ev): -50.3770 -50.3770 -26.2642 -26.2642 -23.8766 -23.8766 -23.6852 -23.6852 -1.8382 -1.8302 -1.6194 -1.6110 4.5327 4.5354 5.5435 5.5451 6.2515 6.2574 7.2694 7.2695 8.5715 8.5788 9.5256 9.5364 9.7357 9.7390 12.7259 12.7309 13.1937 13.1938 14.3959 14.4076 14.5624 14.5693 k = 0.6770-0.8452-0.5092 ( 2157 PWs) bands (ev): -50.3770 -50.3770 -26.2641 -26.2641 -23.8765 -23.8765 -23.6852 -23.6852 -1.8347 -1.8260 -1.6253 -1.6162 4.5417 4.5447 5.5335 5.5346 6.2679 6.2736 7.2742 7.2743 8.5385 8.5460 9.5150 9.5252 9.7466 9.7493 12.7229 12.7282 13.2073 13.2081 14.3638 14.3776 14.5856 14.5925 k = 0.6947-0.8381-0.5049 ( 2159 PWs) bands (ev): -50.3770 -50.3770 -26.2641 -26.2641 -23.8765 -23.8765 -23.6852 -23.6852 -1.8309 -1.8215 -1.6318 -1.6220 4.5512 4.5546 5.5233 5.5238 6.2853 6.2905 7.2794 7.2795 8.5045 8.5120 9.5036 9.5132 9.7574 9.7596 12.7198 12.7253 13.2207 13.2225 14.3302 14.3462 14.6104 14.6173 k = 0.7124-0.8310-0.5006 ( 2161 PWs) bands (ev): -50.3770 -50.3770 -26.2641 -26.2640 -23.8764 -23.8764 -23.6852 -23.6852 -1.8267 -1.8166 -1.6387 -1.6282 4.5611 4.5648 5.5129 5.5131 6.3033 6.3081 7.2847 7.2848 8.4698 8.4773 9.4916 9.5006 9.7679 9.7697 12.7167 12.7223 13.2336 13.2367 14.2959 14.3140 14.6362 14.6432 k = 0.7301-0.8239-0.4963 ( 2159 PWs) bands (ev): -50.3770 -50.3770 -26.2640 -26.2640 -23.8763 -23.8763 -23.6852 -23.6852 -1.8221 -1.8114 -1.6460 -1.6349 4.5713 4.5753 5.5022 5.5030 6.3219 6.3262 7.2903 7.2904 8.4350 8.4425 9.4792 9.4876 9.7779 9.7793 12.7135 12.7191 13.2457 13.2503 14.2618 14.2819 14.6628 14.6697 k = 0.7478-0.8168-0.4921 ( 2156 PWs) bands (ev): -50.3770 -50.3770 -26.2639 -26.2639 -23.8762 -23.8762 -23.6852 -23.6852 -1.8172 -1.8060 -1.6537 -1.6421 4.5817 4.5859 5.4917 5.4931 6.3409 6.3445 7.2959 7.2960 8.4004 8.4078 9.4667 9.4744 9.7872 9.7884 12.7104 12.7160 13.2567 13.2627 14.2284 14.2503 14.6896 14.6963 k = 0.7655-0.8097-0.4878 ( 2154 PWs) bands (ev): -50.3770 -50.3770 -26.2639 -26.2639 -23.8761 -23.8761 -23.6851 -23.6851 -1.8120 -1.8003 -1.6617 -1.6497 4.5921 4.5964 5.4817 5.4836 6.3599 6.3629 7.3016 7.3017 8.3665 8.3737 9.4541 9.4611 9.7957 9.7966 12.7074 12.7128 13.2662 13.2738 14.1966 14.2199 14.7163 14.7228 k = 0.7832-0.8027-0.4835 ( 2150 PWs) bands (ev): -50.3769 -50.3769 -26.2638 -26.2638 -23.8760 -23.8760 -23.6851 -23.6851 -1.8064 -1.7945 -1.6700 -1.6577 4.6024 4.6068 5.4724 5.4746 6.3787 6.3812 7.3073 7.3074 8.3336 8.3407 9.4416 9.4481 9.8033 9.8040 12.7044 12.7097 13.2741 13.2831 14.1668 14.1913 14.7425 14.7488 k = 0.8008-0.7956-0.4793 ( 2149 PWs) bands (ev): -50.3769 -50.3769 -26.2637 -26.2637 -23.8758 -23.8758 -23.6851 -23.6851 -1.8006 -1.7884 -1.6785 -1.6661 4.6124 4.6168 5.4638 5.4662 6.3972 6.3992 7.3129 7.3129 8.3023 8.3091 9.4296 9.4354 9.8099 9.8105 12.7016 12.7066 13.2800 13.2904 14.1397 14.1649 14.7679 14.7738 k = 0.8185-0.7885-0.4750 ( 2151 PWs) bands (ev): -50.3770 -50.3770 -26.2637 -26.2636 -23.8757 -23.8757 -23.6851 -23.6851 -1.7946 -1.7823 -1.6872 -1.6747 4.6220 4.6262 5.4562 5.4586 6.4151 6.4166 7.3183 7.3183 8.2728 8.2793 9.4180 9.4232 9.8154 9.8158 12.6989 12.7035 13.2838 13.2954 14.1156 14.1411 14.7921 14.7976 Writing output data file MoS2.save init_run : 0.35s CPU 0.49s WALL ( 1 calls) electrons : 180.90s CPU 181.82s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 180.90s CPU 181.81s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.09s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 376 calls) cegterg : 165.89s CPU 166.62s WALL ( 384 calls) Called by sum_band: Called by *egterg: h_psi : 143.13s CPU 146.68s WALL ( 6735 calls) s_psi : 5.77s CPU 5.73s WALL ( 6735 calls) g_psi : 0.12s CPU 0.15s WALL ( 5975 calls) cdiaghg : 20.72s CPU 20.74s WALL ( 6351 calls) cegterg:over : 3.01s CPU 2.69s WALL ( 5975 calls) cegterg:upda : 0.87s CPU 0.93s WALL ( 5975 calls) cegterg:last : 0.60s CPU 0.76s WALL ( 1512 calls) Called by h_psi: h_psi:vloc : 137.67s CPU 140.83s WALL ( 6735 calls) h_psi:vnl : 5.44s CPU 5.75s WALL ( 6735 calls) add_vuspsi : 3.18s CPU 3.39s WALL ( 6735 calls) General routines calbec : 2.24s CPU 2.35s WALL ( 6735 calls) fft : 0.02s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 131.85s CPU 132.49s WALL ( 623036 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.01s CPU 0.09s WALL ( 752 calls) Parallel routines fft_scatter : 82.28s CPU 62.96s WALL ( 623059 calls) PWSCF : 3m15.14s CPU 3m23.97s WALL This run was terminated on: 14: 7:11 27Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=