Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:59:35 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./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: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 47 31 9 906 474 80 Max 48 32 10 908 490 82 Sum 1709 1117 339 32633 17219 2897 bravais-lattice index = 14 lattice parameter (alat) = 12.0625 a.u. unit-cell volume = 359.3485 (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)= 12.062453 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.876607 celldm(5)= 0.876607 celldm(6)= 0.876607 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.876607 0.481206 0.000000 ) a(3) = ( 0.876607 0.224783 0.425479 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.821688 -1.097878 ) b(2) = ( 0.000000 2.078111 -1.097878 ) b(3) = ( 0.000000 0.000000 2.350294 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mo read from file: /users/gautes/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) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 375 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0086207 -0.0157042 -0.0094645), wk = 0.0026667 k( 3) = ( 0.0172414 -0.0314084 -0.0189289), wk = 0.0026667 k( 4) = ( 0.0258621 -0.0471126 -0.0283934), wk = 0.0026667 k( 5) = ( 0.0344828 -0.0628168 -0.0378579), wk = 0.0026667 k( 6) = ( 0.0431035 -0.0785210 -0.0473223), wk = 0.0026667 k( 7) = ( 0.0517241 -0.0942252 -0.0567868), wk = 0.0026667 k( 8) = ( 0.0603448 -0.1099295 -0.0662512), wk = 0.0026667 k( 9) = ( 0.0689655 -0.1256337 -0.0757157), wk = 0.0026667 k( 10) = ( 0.0775862 -0.1413379 -0.0851802), wk = 0.0026667 k( 11) = ( 0.0862069 -0.1570421 -0.0946446), wk = 0.0026667 k( 12) = ( 0.0948276 -0.1727463 -0.1041091), wk = 0.0026667 k( 13) = ( 0.1034483 -0.1884505 -0.1135736), wk = 0.0026667 k( 14) = ( 0.1120690 -0.2041547 -0.1230380), wk = 0.0026667 k( 15) = ( 0.1206897 -0.2198589 -0.1325025), wk = 0.0026667 k( 16) = ( 0.1293103 -0.2355631 -0.1419669), wk = 0.0026667 k( 17) = ( 0.1379310 -0.2512673 -0.1514314), wk = 0.0026667 k( 18) = ( 0.1465517 -0.2669715 -0.1608959), wk = 0.0026667 k( 19) = ( 0.1551724 -0.2826757 -0.1703603), wk = 0.0026667 k( 20) = ( 0.1637931 -0.2983799 -0.1798248), wk = 0.0026667 k( 21) = ( 0.1724138 -0.3140841 -0.1892892), wk = 0.0026667 k( 22) = ( 0.1810345 -0.3297883 -0.1987537), wk = 0.0026667 k( 23) = ( 0.1896552 -0.3454925 -0.2082182), wk = 0.0026667 k( 24) = ( 0.1982759 -0.3611968 -0.2176826), wk = 0.0026667 k( 25) = ( 0.2068966 -0.3769010 -0.2271471), wk = 0.0026667 k( 26) = ( 0.2155172 -0.3926052 -0.2366116), wk = 0.0026667 k( 27) = ( 0.2241379 -0.4083094 -0.2460760), wk = 0.0026667 k( 28) = ( 0.2327586 -0.4240136 -0.2555405), wk = 0.0026667 k( 29) = ( 0.2413793 -0.4397178 -0.2650049), wk = 0.0026667 k( 30) = ( 0.2500000 -0.4554220 -0.2744694), wk = 0.0026667 k( 31) = ( 0.2586207 -0.4711262 -0.2839339), wk = 0.0026667 k( 32) = ( 0.2672414 -0.4868304 -0.2933983), wk = 0.0026667 k( 33) = ( 0.2758621 -0.5025346 -0.3028628), wk = 0.0026667 k( 34) = ( 0.2844828 -0.5182388 -0.3123273), wk = 0.0026667 k( 35) = ( 0.2931034 -0.5339430 -0.3217917), wk = 0.0026667 k( 36) = ( 0.3017241 -0.5496472 -0.3312562), wk = 0.0026667 k( 37) = ( 0.3103448 -0.5653514 -0.3407206), wk = 0.0026667 k( 38) = ( 0.3189655 -0.5810557 -0.3501851), wk = 0.0026667 k( 39) = ( 0.3275862 -0.5967599 -0.3596496), wk = 0.0026667 k( 40) = ( 0.3362069 -0.6124641 -0.3691140), wk = 0.0026667 k( 41) = ( 0.3448276 -0.6281683 -0.3785785), wk = 0.0026667 k( 42) = ( 0.3534483 -0.6438725 -0.3880430), wk = 0.0026667 k( 43) = ( 0.3620690 -0.6595767 -0.3975074), wk = 0.0026667 k( 44) = ( 0.3706897 -0.6752809 -0.4069719), wk = 0.0026667 k( 45) = ( 0.3793103 -0.6909851 -0.4164363), wk = 0.0026667 k( 46) = ( 0.3879310 -0.7066893 -0.4259008), wk = 0.0026667 k( 47) = ( 0.3965517 -0.7223935 -0.4353653), wk = 0.0026667 k( 48) = ( 0.4051724 -0.7380977 -0.4448297), wk = 0.0026667 k( 49) = ( 0.4137931 -0.7538019 -0.4542942), wk = 0.0026667 k( 50) = ( 0.4224138 -0.7695061 -0.4637587), wk = 0.0026667 k( 51) = ( 0.4310345 -0.7852103 -0.4732231), wk = 0.0026667 k( 52) = ( 0.4396552 -0.8009145 -0.4826876), wk = 0.0026667 k( 53) = ( 0.4482759 -0.8166187 -0.4921520), wk = 0.0026667 k( 54) = ( 0.4568966 -0.8323230 -0.5016165), wk = 0.0026667 k( 55) = ( 0.4655172 -0.8480272 -0.5110810), wk = 0.0026667 k( 56) = ( 0.4741379 -0.8637314 -0.5205454), wk = 0.0026667 k( 57) = ( 0.4827586 -0.8794356 -0.5300099), wk = 0.0026667 k( 58) = ( 0.4913793 -0.8951398 -0.5394744), wk = 0.0026667 k( 59) = ( 0.5000000 -0.9108440 -0.5489388), wk = 0.0026667 k( 60) = ( 0.5000000 -0.9108440 -0.5489388), wk = 0.0026667 k( 61) = ( 0.5000000 -0.9003607 -0.5663335), wk = 0.0026667 k( 62) = ( 0.5000000 -0.8898775 -0.5837282), wk = 0.0026667 k( 63) = ( 0.5000000 -0.8793942 -0.6011228), wk = 0.0026667 k( 64) = ( 0.5000000 -0.8689110 -0.6185175), wk = 0.0026667 k( 65) = ( 0.5000000 -0.8584277 -0.6359122), wk = 0.0026667 k( 66) = ( 0.5000000 -0.8479444 -0.6533069), wk = 0.0026667 k( 67) = ( 0.5000000 -0.8374612 -0.6707015), wk = 0.0026667 k( 68) = ( 0.5000000 -0.8269779 -0.6880962), wk = 0.0026667 k( 69) = ( 0.5000000 -0.8164947 -0.7054909), wk = 0.0026667 k( 70) = ( 0.5000000 -0.8060114 -0.7228856), wk = 0.0026667 k( 71) = ( 0.5000000 -0.7955282 -0.7402802), wk = 0.0026667 k( 72) = ( 0.5000000 -0.7850449 -0.7576749), wk = 0.0026667 k( 73) = ( 0.5000000 -0.7745617 -0.7750696), wk = 0.0026667 k( 74) = ( 0.5000000 -0.7640784 -0.7924643), wk = 0.0026667 k( 75) = ( 0.5000000 -0.7535952 -0.8098589), wk = 0.0026667 k( 76) = ( 0.5000000 -0.7431119 -0.8272536), wk = 0.0026667 k( 77) = ( 0.5000000 -0.7326286 -0.8446483), wk = 0.0026667 k( 78) = ( 0.5000000 -0.7221454 -0.8620429), wk = 0.0026667 k( 79) = ( 0.5000000 -0.7116621 -0.8794376), wk = 0.0026667 k( 80) = ( 0.5000000 -0.7011789 -0.8968323), wk = 0.0026667 k( 81) = ( 0.5000000 -0.6906956 -0.9142270), wk = 0.0026667 k( 82) = ( 0.5000000 -0.6802123 -0.9316216), wk = 0.0026667 k( 83) = ( 0.5000000 -0.6697291 -0.9490163), wk = 0.0026667 k( 84) = ( 0.5000000 -0.6592458 -0.9664110), wk = 0.0026667 k( 85) = ( 0.5000000 -0.6487626 -0.9838056), wk = 0.0026667 k( 86) = ( 0.5000000 -0.6382793 -1.0012003), wk = 0.0026667 k( 87) = ( 0.5000000 -0.6277961 -1.0185950), wk = 0.0026667 k( 88) = ( 0.5000000 -0.6173128 -1.0359897), wk = 0.0026667 k( 89) = ( 0.5000000 -0.6068295 -1.0533843), wk = 0.0026667 k( 90) = ( 0.5000000 -0.5963463 -1.0707790), wk = 0.0026667 k( 91) = ( 0.5000000 -0.5858630 -1.0881737), wk = 0.0026667 k( 92) = ( 0.5000000 -0.5753798 -1.1055684), wk = 0.0026667 k( 93) = ( 0.5000000 -0.5648965 -1.1229630), wk = 0.0026667 k( 94) = ( 0.5000000 -0.5544133 -1.1403577), wk = 0.0026667 k( 95) = ( 0.5000000 -0.5439300 -1.1577524), wk = 0.0026667 k( 96) = ( 0.5000000 -0.5334468 -1.1751470), wk = 0.0026667 k( 97) = ( 0.8183941 -0.4518030 -1.0206082), wk = 0.0026667 k( 98) = ( 0.8134192 -0.4427403 -1.0034539), wk = 0.0026667 k( 99) = ( 0.8084443 -0.4336776 -0.9862995), wk = 0.0026667 k( 100) = ( 0.8034694 -0.4246148 -0.9691452), wk = 0.0026667 k( 101) = ( 0.7984945 -0.4155521 -0.9519908), wk = 0.0026667 k( 102) = ( 0.7935196 -0.4064894 -0.9348365), wk = 0.0026667 k( 103) = ( 0.7885447 -0.3974267 -0.9176822), wk = 0.0026667 k( 104) = ( 0.7835698 -0.3883639 -0.9005278), wk = 0.0026667 k( 105) = ( 0.7785949 -0.3793012 -0.8833735), wk = 0.0026667 k( 106) = ( 0.7736199 -0.3702385 -0.8662192), wk = 0.0026667 k( 107) = ( 0.7686450 -0.3611757 -0.8490648), wk = 0.0026667 k( 108) = ( 0.7636701 -0.3521130 -0.8319105), wk = 0.0026667 k( 109) = ( 0.7586952 -0.3430503 -0.8147562), wk = 0.0026667 k( 110) = ( 0.7537203 -0.3339875 -0.7976018), wk = 0.0026667 k( 111) = ( 0.7487454 -0.3249248 -0.7804475), wk = 0.0026667 k( 112) = ( 0.7437705 -0.3158621 -0.7632931), wk = 0.0026667 k( 113) = ( 0.7387956 -0.3067994 -0.7461388), wk = 0.0026667 k( 114) = ( 0.7338207 -0.2977366 -0.7289845), wk = 0.0026667 k( 115) = ( 0.7288458 -0.2886739 -0.7118301), wk = 0.0026667 k( 116) = ( 0.7238709 -0.2796112 -0.6946758), wk = 0.0026667 k( 117) = ( 0.7188960 -0.2705484 -0.6775214), wk = 0.0026667 k( 118) = ( 0.7139210 -0.2614857 -0.6603671), wk = 0.0026667 k( 119) = ( 0.7089462 -0.2524230 -0.6432128), wk = 0.0026667 k( 120) = ( 0.7039712 -0.2433602 -0.6260584), wk = 0.0026667 k( 121) = ( 0.6989963 -0.2342975 -0.6089041), wk = 0.0026667 k( 122) = ( 0.6940214 -0.2252348 -0.5917498), wk = 0.0026667 k( 123) = ( 0.6890465 -0.2161720 -0.5745954), wk = 0.0026667 k( 124) = ( 0.6840716 -0.2071093 -0.5574411), wk = 0.0026667 k( 125) = ( 0.6790967 -0.1980466 -0.5402868), wk = 0.0026667 k( 126) = ( 0.6741218 -0.1889839 -0.5231324), wk = 0.0026667 k( 127) = ( 0.6691469 -0.1799211 -0.5059781), wk = 0.0026667 k( 128) = ( 0.6641720 -0.1708584 -0.4888237), wk = 0.0026667 k( 129) = ( 0.6591971 -0.1617956 -0.4716694), wk = 0.0026667 k( 130) = ( 0.6542222 -0.1527329 -0.4545151), wk = 0.0026667 k( 131) = ( 0.6492473 -0.1436702 -0.4373607), wk = 0.0026667 k( 132) = ( 0.6442723 -0.1346075 -0.4202064), wk = 0.0026667 k( 133) = ( 0.6392974 -0.1255447 -0.4030520), wk = 0.0026667 k( 134) = ( 0.6343225 -0.1164820 -0.3858977), wk = 0.0026667 k( 135) = ( 0.6293476 -0.1074193 -0.3687433), wk = 0.0026667 k( 136) = ( 0.6243727 -0.0983565 -0.3515890), wk = 0.0026667 k( 137) = ( 0.6193978 -0.0892938 -0.3344347), wk = 0.0026667 k( 138) = ( 0.6144229 -0.0802311 -0.3172804), wk = 0.0026667 k( 139) = ( 0.6094480 -0.0711683 -0.3001260), wk = 0.0026667 k( 140) = ( 0.6044731 -0.0621056 -0.2829717), wk = 0.0026667 k( 141) = ( 0.5994982 -0.0530429 -0.2658173), wk = 0.0026667 k( 142) = ( 0.5945233 -0.0439802 -0.2486630), wk = 0.0026667 k( 143) = ( 0.5895484 -0.0349174 -0.2315087), wk = 0.0026667 k( 144) = ( 0.5845734 -0.0258547 -0.2143543), wk = 0.0026667 k( 145) = ( 0.5795985 -0.0167920 -0.1972000), wk = 0.0026667 k( 146) = ( 0.5746236 -0.0077292 -0.1800456), wk = 0.0026667 k( 147) = ( 0.5696487 0.0013335 -0.1628913), wk = 0.0026667 k( 148) = ( 0.5646738 0.0103962 -0.1457370), wk = 0.0026667 k( 149) = ( 0.5596989 0.0194590 -0.1285826), wk = 0.0026667 k( 150) = ( 0.5547240 0.0285217 -0.1114283), wk = 0.0026667 k( 151) = ( 0.5497491 0.0375844 -0.0942739), wk = 0.0026667 k( 152) = ( 0.5447742 0.0466472 -0.0771196), wk = 0.0026667 k( 153) = ( 0.5397993 0.0557099 -0.0599653), wk = 0.0026667 k( 154) = ( 0.5348244 0.0647726 -0.0428109), wk = 0.0026667 k( 155) = ( 0.5298495 0.0738353 -0.0256566), wk = 0.0026667 k( 156) = ( 0.5248745 0.0828981 -0.0085023), wk = 0.0026667 k( 157) = ( 0.5198996 0.0919608 0.0086521), wk = 0.0026667 k( 158) = ( 0.5149247 0.1010235 0.0258064), wk = 0.0026667 k( 159) = ( 0.5099498 0.1100863 0.0429607), wk = 0.0026667 k( 160) = ( 0.5049749 0.1191490 0.0601151), wk = 0.0026667 k( 161) = ( 0.5000000 0.1282117 0.0772694), wk = 0.0026667 k( 162) = ( 0.5000000 0.1282117 0.0772694), wk = 0.0026667 k( 163) = ( 0.4807692 0.1232805 0.0742975), wk = 0.0026667 k( 164) = ( 0.4615385 0.1183493 0.0713256), wk = 0.0026667 k( 165) = ( 0.4423077 0.1134181 0.0683537), wk = 0.0026667 k( 166) = ( 0.4230769 0.1084868 0.0653818), wk = 0.0026667 k( 167) = ( 0.4038462 0.1035556 0.0624099), wk = 0.0026667 k( 168) = ( 0.3846154 0.0986244 0.0594380), wk = 0.0026667 k( 169) = ( 0.3653846 0.0936932 0.0564661), wk = 0.0026667 k( 170) = ( 0.3461538 0.0887620 0.0534942), wk = 0.0026667 k( 171) = ( 0.3269231 0.0838307 0.0505223), wk = 0.0026667 k( 172) = ( 0.3076923 0.0788995 0.0475504), wk = 0.0026667 k( 173) = ( 0.2884615 0.0739683 0.0445785), wk = 0.0026667 k( 174) = ( 0.2692308 0.0690371 0.0416066), wk = 0.0026667 k( 175) = ( 0.2500000 0.0641059 0.0386347), wk = 0.0026667 k( 176) = ( 0.2307692 0.0591746 0.0356628), wk = 0.0026667 k( 177) = ( 0.2115385 0.0542434 0.0326909), wk = 0.0026667 k( 178) = ( 0.1923077 0.0493122 0.0297190), wk = 0.0026667 k( 179) = ( 0.1730769 0.0443810 0.0267471), wk = 0.0026667 k( 180) = ( 0.1538461 0.0394498 0.0237752), wk = 0.0026667 k( 181) = ( 0.1346154 0.0345185 0.0208033), wk = 0.0026667 k( 182) = ( 0.1153846 0.0295873 0.0178314), wk = 0.0026667 k( 183) = ( 0.0961538 0.0246561 0.0148595), wk = 0.0026667 k( 184) = ( 0.0769231 0.0197249 0.0118876), wk = 0.0026667 k( 185) = ( 0.0576923 0.0147937 0.0089157), wk = 0.0026667 k( 186) = ( 0.0384615 0.0098624 0.0059438), wk = 0.0026667 k( 187) = ( 0.0192308 0.0049312 0.0029719), wk = 0.0026667 k( 188) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 189) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 190) = ( 0.0050118 -0.0091300 -0.0172816), wk = 0.0026667 k( 191) = ( 0.0100236 -0.0182599 -0.0345632), wk = 0.0026667 k( 192) = ( 0.0150354 -0.0273898 -0.0518447), wk = 0.0026667 k( 193) = ( 0.0200472 -0.0365198 -0.0691263), wk = 0.0026667 k( 194) = ( 0.0250590 -0.0456498 -0.0864079), wk = 0.0026667 k( 195) = ( 0.0300708 -0.0547797 -0.1036895), wk = 0.0026667 k( 196) = ( 0.0350827 -0.0639097 -0.1209710), wk = 0.0026667 k( 197) = ( 0.0400945 -0.0730396 -0.1382526), wk = 0.0026667 k( 198) = ( 0.0451063 -0.0821696 -0.1555342), wk = 0.0026667 k( 199) = ( 0.0501181 -0.0912995 -0.1728157), wk = 0.0026667 k( 200) = ( 0.0551299 -0.1004295 -0.1900973), wk = 0.0026667 k( 201) = ( 0.0601417 -0.1095594 -0.2073789), wk = 0.0026667 k( 202) = ( 0.0651535 -0.1186893 -0.2246605), wk = 0.0026667 k( 203) = ( 0.0701653 -0.1278193 -0.2419420), wk = 0.0026667 k( 204) = ( 0.0751771 -0.1369493 -0.2592236), wk = 0.0026667 k( 205) = ( 0.0801889 -0.1460792 -0.2765052), wk = 0.0026667 k( 206) = ( 0.0852007 -0.1552091 -0.2937867), wk = 0.0026667 k( 207) = ( 0.0902125 -0.1643391 -0.3110683), wk = 0.0026667 k( 208) = ( 0.0952243 -0.1734691 -0.3283499), wk = 0.0026667 k( 209) = ( 0.1002362 -0.1825990 -0.3456315), wk = 0.0026667 k( 210) = ( 0.1052480 -0.1917290 -0.3629131), wk = 0.0026667 k( 211) = ( 0.1102598 -0.2008589 -0.3801946), wk = 0.0026667 k( 212) = ( 0.1152716 -0.2099889 -0.3974762), wk = 0.0026667 k( 213) = ( 0.1202834 -0.2191188 -0.4147578), wk = 0.0026667 k( 214) = ( 0.1252952 -0.2282488 -0.4320394), wk = 0.0026667 k( 215) = ( 0.1303070 -0.2373787 -0.4493209), wk = 0.0026667 k( 216) = ( 0.1353188 -0.2465087 -0.4666025), wk = 0.0026667 k( 217) = ( 0.1403306 -0.2556386 -0.4838841), wk = 0.0026667 k( 218) = ( 0.1453424 -0.2647686 -0.5011657), wk = 0.0026667 k( 219) = ( 0.1503542 -0.2738985 -0.5184472), wk = 0.0026667 k( 220) = ( 0.1553660 -0.2830284 -0.5357288), wk = 0.0026667 k( 221) = ( 0.1603778 -0.2921584 -0.5530104), wk = 0.0026667 k( 222) = ( 0.1653897 -0.3012884 -0.5702920), wk = 0.0026667 k( 223) = ( 0.1704015 -0.3104183 -0.5875735), wk = 0.0026667 k( 224) = ( 0.1754133 -0.3195483 -0.6048551), wk = 0.0026667 k( 225) = ( 0.1804251 -0.3286782 -0.6221367), wk = 0.0026667 k( 226) = ( 0.1854369 -0.3378082 -0.6394182), wk = 0.0026667 k( 227) = ( 0.1904487 -0.3469381 -0.6566998), wk = 0.0026667 k( 228) = ( 0.1954605 -0.3560681 -0.6739814), wk = 0.0026667 k( 229) = ( 0.2004723 -0.3651980 -0.6912630), wk = 0.0026667 k( 230) = ( 0.2054841 -0.3743280 -0.7085445), wk = 0.0026667 k( 231) = ( 0.2104959 -0.3834579 -0.7258261), wk = 0.0026667 k( 232) = ( 0.2155077 -0.3925879 -0.7431077), wk = 0.0026667 k( 233) = ( 0.2205196 -0.4017178 -0.7603893), wk = 0.0026667 k( 234) = ( 0.2255314 -0.4108478 -0.7776709), wk = 0.0026667 k( 235) = ( 0.2305432 -0.4199777 -0.7949524), wk = 0.0026667 k( 236) = ( 0.2355550 -0.4291077 -0.8122340), wk = 0.0026667 k( 237) = ( 0.2405668 -0.4382376 -0.8295156), wk = 0.0026667 k( 238) = ( 0.2455786 -0.4473676 -0.8467972), wk = 0.0026667 k( 239) = ( 0.2505904 -0.4564975 -0.8640787), wk = 0.0026667 k( 240) = ( 0.2556022 -0.4656275 -0.8813603), wk = 0.0026667 k( 241) = ( 0.2606140 -0.4747574 -0.8986419), wk = 0.0026667 k( 242) = ( 0.2656258 -0.4838874 -0.9159234), wk = 0.0026667 k( 243) = ( 0.2706376 -0.4930173 -0.9332050), wk = 0.0026667 k( 244) = ( 0.2756494 -0.5021473 -0.9504866), wk = 0.0026667 k( 245) = ( 0.2806612 -0.5112772 -0.9677682), wk = 0.0026667 k( 246) = ( 0.2856730 -0.5204072 -0.9850497), wk = 0.0026667 k( 247) = ( 0.2906849 -0.5295371 -1.0023313), wk = 0.0026667 k( 248) = ( 0.2956967 -0.5386671 -1.0196129), wk = 0.0026667 k( 249) = ( 0.3007085 -0.5477970 -1.0368944), wk = 0.0026667 k( 250) = ( 0.3057203 -0.5569270 -1.0541760), wk = 0.0026667 k( 251) = ( 0.3107321 -0.5660569 -1.0714576), wk = 0.0026667 k( 252) = ( 0.3157439 -0.5751869 -1.0887392), wk = 0.0026667 k( 253) = ( 0.3207557 -0.5843168 -1.1060208), wk = 0.0026667 k( 254) = ( 0.3257675 -0.5934468 -1.1233023), wk = 0.0026667 k( 255) = ( 0.3307793 -0.6025767 -1.1405839), wk = 0.0026667 k( 256) = ( 0.3357911 -0.6117067 -1.1578655), wk = 0.0026667 k( 257) = ( 0.3408029 -0.6208366 -1.1751471), wk = 0.0026667 k( 258) = ( 0.6591971 -0.4926249 -1.0978776), wk = 0.0026667 k( 259) = ( 0.6542222 -0.4732238 -1.0978776), wk = 0.0026667 k( 260) = ( 0.6492473 -0.4538226 -1.0978776), wk = 0.0026667 k( 261) = ( 0.6442723 -0.4344215 -1.0978776), wk = 0.0026667 k( 262) = ( 0.6392974 -0.4150203 -1.0978776), wk = 0.0026667 k( 263) = ( 0.6343225 -0.3956192 -1.0978776), wk = 0.0026667 k( 264) = ( 0.6293476 -0.3762180 -1.0978776), wk = 0.0026667 k( 265) = ( 0.6243727 -0.3568169 -1.0978776), wk = 0.0026667 k( 266) = ( 0.6193978 -0.3374157 -1.0978776), wk = 0.0026667 k( 267) = ( 0.6144229 -0.3180146 -1.0978776), wk = 0.0026667 k( 268) = ( 0.6094480 -0.2986134 -1.0978776), wk = 0.0026667 k( 269) = ( 0.6044731 -0.2792123 -1.0978776), wk = 0.0026667 k( 270) = ( 0.5994982 -0.2598111 -1.0978776), wk = 0.0026667 k( 271) = ( 0.5945233 -0.2404100 -1.0978776), wk = 0.0026667 k( 272) = ( 0.5895484 -0.2210089 -1.0978776), wk = 0.0026667 k( 273) = ( 0.5845734 -0.2016077 -1.0978776), wk = 0.0026667 k( 274) = ( 0.5795985 -0.1822066 -1.0978776), wk = 0.0026667 k( 275) = ( 0.5746236 -0.1628054 -1.0978776), wk = 0.0026667 k( 276) = ( 0.5696487 -0.1434043 -1.0978776), wk = 0.0026667 k( 277) = ( 0.5646738 -0.1240032 -1.0978776), wk = 0.0026667 k( 278) = ( 0.5596989 -0.1046020 -1.0978776), wk = 0.0026667 k( 279) = ( 0.5547240 -0.0852009 -1.0978776), wk = 0.0026667 k( 280) = ( 0.5497491 -0.0657997 -1.0978776), wk = 0.0026667 k( 281) = ( 0.5447742 -0.0463986 -1.0978776), wk = 0.0026667 k( 282) = ( 0.5397993 -0.0269974 -1.0978776), wk = 0.0026667 k( 283) = ( 0.5348244 -0.0075963 -1.0978776), wk = 0.0026667 k( 284) = ( 0.5298495 0.0118049 -1.0978776), wk = 0.0026667 k( 285) = ( 0.5248745 0.0312060 -1.0978776), wk = 0.0026667 k( 286) = ( 0.5198996 0.0506072 -1.0978776), wk = 0.0026667 k( 287) = ( 0.5149247 0.0700083 -1.0978776), wk = 0.0026667 k( 288) = ( 0.5099498 0.0894094 -1.0978776), wk = 0.0026667 k( 289) = ( 0.5049749 0.1088106 -1.0978776), wk = 0.0026667 k( 290) = ( 0.5000000 0.1282117 -1.0978776), wk = 0.0026667 k( 291) = ( 0.5000000 0.1282117 -1.0978776), wk = 0.0026667 k( 292) = ( 0.5176886 0.1327475 -1.0892921), wk = 0.0026667 k( 293) = ( 0.5353771 0.1372832 -1.0807067), wk = 0.0026667 k( 294) = ( 0.5530657 0.1418190 -1.0721212), wk = 0.0026667 k( 295) = ( 0.5707543 0.1463548 -1.0635357), wk = 0.0026667 k( 296) = ( 0.5884428 0.1508905 -1.0549502), wk = 0.0026667 k( 297) = ( 0.6061314 0.1554263 -1.0463647), wk = 0.0026667 k( 298) = ( 0.6238199 0.1599621 -1.0377792), wk = 0.0026667 k( 299) = ( 0.6415085 0.1644978 -1.0291937), wk = 0.0026667 k( 300) = ( 0.6591971 0.1690336 -1.0206082), wk = 0.0026667 k( 301) = ( 0.6591971 0.1690336 -1.0206082), wk = 0.0026667 k( 302) = ( 0.6563026 0.1682914 -1.0006468), wk = 0.0026667 k( 303) = ( 0.6534081 0.1675492 -0.9806854), wk = 0.0026667 k( 304) = ( 0.6505136 0.1668069 -0.9607240), wk = 0.0026667 k( 305) = ( 0.6476191 0.1660647 -0.9407626), wk = 0.0026667 k( 306) = ( 0.6447246 0.1653225 -0.9208012), wk = 0.0026667 k( 307) = ( 0.6418301 0.1645803 -0.9008397), wk = 0.0026667 k( 308) = ( 0.6389356 0.1638381 -0.8808783), wk = 0.0026667 k( 309) = ( 0.6360411 0.1630959 -0.8609169), wk = 0.0026667 k( 310) = ( 0.6331466 0.1623536 -0.8409555), wk = 0.0026667 k( 311) = ( 0.6302521 0.1616114 -0.8209941), wk = 0.0026667 k( 312) = ( 0.6273576 0.1608692 -0.8010327), wk = 0.0026667 k( 313) = ( 0.6244632 0.1601270 -0.7810713), wk = 0.0026667 k( 314) = ( 0.6215687 0.1593848 -0.7611099), wk = 0.0026667 k( 315) = ( 0.6186742 0.1586426 -0.7411484), wk = 0.0026667 k( 316) = ( 0.6157797 0.1579003 -0.7211870), wk = 0.0026667 k( 317) = ( 0.6128852 0.1571581 -0.7012256), wk = 0.0026667 k( 318) = ( 0.6099907 0.1564159 -0.6812642), wk = 0.0026667 k( 319) = ( 0.6070962 0.1556737 -0.6613028), wk = 0.0026667 k( 320) = ( 0.6042017 0.1549315 -0.6413414), wk = 0.0026667 k( 321) = ( 0.6013072 0.1541893 -0.6213800), wk = 0.0026667 k( 322) = ( 0.5984127 0.1534471 -0.6014186), wk = 0.0026667 k( 323) = ( 0.5955182 0.1527048 -0.5814572), wk = 0.0026667 k( 324) = ( 0.5926238 0.1519626 -0.5614957), wk = 0.0026667 k( 325) = ( 0.5897292 0.1512204 -0.5415343), wk = 0.0026667 k( 326) = ( 0.5868348 0.1504782 -0.5215729), wk = 0.0026667 k( 327) = ( 0.5839403 0.1497360 -0.5016115), wk = 0.0026667 k( 328) = ( 0.5810458 0.1489938 -0.4816501), wk = 0.0026667 k( 329) = ( 0.5781513 0.1482515 -0.4616887), wk = 0.0026667 k( 330) = ( 0.5752568 0.1475093 -0.4417273), wk = 0.0026667 k( 331) = ( 0.5723623 0.1467671 -0.4217659), wk = 0.0026667 k( 332) = ( 0.5694678 0.1460249 -0.4018045), wk = 0.0026667 k( 333) = ( 0.5665733 0.1452827 -0.3818430), wk = 0.0026667 k( 334) = ( 0.5636788 0.1445405 -0.3618816), wk = 0.0026667 k( 335) = ( 0.5607843 0.1437982 -0.3419202), wk = 0.0026667 k( 336) = ( 0.5578898 0.1430560 -0.3219588), wk = 0.0026667 k( 337) = ( 0.5549953 0.1423138 -0.3019974), wk = 0.0026667 k( 338) = ( 0.5521009 0.1415716 -0.2820360), wk = 0.0026667 k( 339) = ( 0.5492064 0.1408294 -0.2620746), wk = 0.0026667 k( 340) = ( 0.5463119 0.1400872 -0.2421132), wk = 0.0026667 k( 341) = ( 0.5434174 0.1393450 -0.2221517), wk = 0.0026667 k( 342) = ( 0.5405229 0.1386027 -0.2021903), wk = 0.0026667 k( 343) = ( 0.5376284 0.1378605 -0.1822289), wk = 0.0026667 k( 344) = ( 0.5347339 0.1371183 -0.1622675), wk = 0.0026667 k( 345) = ( 0.5318394 0.1363761 -0.1423061), wk = 0.0026667 k( 346) = ( 0.5289449 0.1356339 -0.1223447), wk = 0.0026667 k( 347) = ( 0.5260504 0.1348917 -0.1023833), wk = 0.0026667 k( 348) = ( 0.5231559 0.1341494 -0.0824219), wk = 0.0026667 k( 349) = ( 0.5202614 0.1334072 -0.0624604), wk = 0.0026667 k( 350) = ( 0.5173669 0.1326650 -0.0424990), wk = 0.0026667 k( 351) = ( 0.5144725 0.1319228 -0.0225376), wk = 0.0026667 k( 352) = ( 0.5115780 0.1311806 -0.0025762), wk = 0.0026667 k( 353) = ( 0.5086835 0.1304384 0.0173852), wk = 0.0026667 k( 354) = ( 0.5057890 0.1296962 0.0373466), wk = 0.0026667 k( 355) = ( 0.5028945 0.1289539 0.0573080), wk = 0.0026667 k( 356) = ( 0.5000000 0.1282117 0.0772694), wk = 0.0026667 k( 357) = ( 0.5000000 -0.9108440 -0.5489388), wk = 0.0026667 k( 358) = ( 0.5176886 -0.9037211 -0.5446461), wk = 0.0026667 k( 359) = ( 0.5353771 -0.8965983 -0.5403533), wk = 0.0026667 k( 360) = ( 0.5530657 -0.8894754 -0.5360606), wk = 0.0026667 k( 361) = ( 0.5707543 -0.8823525 -0.5317678), wk = 0.0026667 k( 362) = ( 0.5884428 -0.8752296 -0.5274751), wk = 0.0026667 k( 363) = ( 0.6061314 -0.8681068 -0.5231823), wk = 0.0026667 k( 364) = ( 0.6238199 -0.8609839 -0.5188896), wk = 0.0026667 k( 365) = ( 0.6415085 -0.8538610 -0.5145969), wk = 0.0026667 k( 366) = ( 0.6591971 -0.8467381 -0.5103041), wk = 0.0026667 k( 367) = ( 0.6768856 -0.8396153 -0.5060114), wk = 0.0026667 k( 368) = ( 0.6945742 -0.8324924 -0.5017186), wk = 0.0026667 k( 369) = ( 0.7122627 -0.8253695 -0.4974259), wk = 0.0026667 k( 370) = ( 0.7299513 -0.8182466 -0.4931331), wk = 0.0026667 k( 371) = ( 0.7476399 -0.8111238 -0.4888404), wk = 0.0026667 k( 372) = ( 0.7653284 -0.8040009 -0.4845476), wk = 0.0026667 k( 373) = ( 0.7830170 -0.7968780 -0.4802549), wk = 0.0026667 k( 374) = ( 0.8007056 -0.7897551 -0.4759621), wk = 0.0026667 k( 375) = ( 0.8183941 -0.7826323 -0.4716694), wk = 0.0026667 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0086207 0.0000000 0.0000000), wk = 0.0026667 k( 3) = ( 0.0172414 0.0000000 0.0000000), wk = 0.0026667 k( 4) = ( 0.0258621 -0.0000000 0.0000000), wk = 0.0026667 k( 5) = ( 0.0344828 0.0000000 0.0000000), wk = 0.0026667 k( 6) = ( 0.0431035 -0.0000000 0.0000000), wk = 0.0026667 k( 7) = ( 0.0517241 -0.0000000 0.0000000), wk = 0.0026667 k( 8) = ( 0.0603448 0.0000000 0.0000000), wk = 0.0026667 k( 9) = ( 0.0689655 0.0000000 0.0000000), wk = 0.0026667 k( 10) = ( 0.0775862 -0.0000000 0.0000000), wk = 0.0026667 k( 11) = ( 0.0862069 -0.0000000 0.0000000), wk = 0.0026667 k( 12) = ( 0.0948276 -0.0000000 0.0000000), wk = 0.0026667 k( 13) = ( 0.1034483 -0.0000000 0.0000000), wk = 0.0026667 k( 14) = ( 0.1120690 0.0000000 0.0000000), wk = 0.0026667 k( 15) = ( 0.1206897 0.0000000 0.0000000), wk = 0.0026667 k( 16) = ( 0.1293103 -0.0000000 0.0000000), wk = 0.0026667 k( 17) = ( 0.1379310 0.0000000 0.0000000), wk = 0.0026667 k( 18) = ( 0.1465517 -0.0000000 0.0000000), wk = 0.0026667 k( 19) = ( 0.1551724 0.0000000 0.0000000), wk = 0.0026667 k( 20) = ( 0.1637931 -0.0000000 0.0000000), wk = 0.0026667 k( 21) = ( 0.1724138 -0.0000000 0.0000000), wk = 0.0026667 k( 22) = ( 0.1810345 0.0000000 0.0000000), wk = 0.0026667 k( 23) = ( 0.1896552 -0.0000000 0.0000000), wk = 0.0026667 k( 24) = ( 0.1982759 -0.0000000 0.0000000), wk = 0.0026667 k( 25) = ( 0.2068966 -0.0000000 0.0000000), wk = 0.0026667 k( 26) = ( 0.2155172 0.0000000 0.0000000), wk = 0.0026667 k( 27) = ( 0.2241379 0.0000000 0.0000000), wk = 0.0026667 k( 28) = ( 0.2327586 -0.0000000 0.0000000), wk = 0.0026667 k( 29) = ( 0.2413793 -0.0000000 0.0000000), wk = 0.0026667 k( 30) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0026667 k( 31) = ( 0.2586207 0.0000000 0.0000000), wk = 0.0026667 k( 32) = ( 0.2672414 -0.0000000 -0.0000000), wk = 0.0026667 k( 33) = ( 0.2758621 -0.0000000 0.0000000), wk = 0.0026667 k( 34) = ( 0.2844828 0.0000000 0.0000000), wk = 0.0026667 k( 35) = ( 0.2931034 0.0000000 0.0000000), wk = 0.0026667 k( 36) = ( 0.3017241 -0.0000000 0.0000000), wk = 0.0026667 k( 37) = ( 0.3103448 0.0000000 0.0000000), wk = 0.0026667 k( 38) = ( 0.3189655 0.0000000 0.0000000), wk = 0.0026667 k( 39) = ( 0.3275862 0.0000000 0.0000000), wk = 0.0026667 k( 40) = ( 0.3362069 -0.0000000 0.0000000), wk = 0.0026667 k( 41) = ( 0.3448276 -0.0000000 0.0000000), wk = 0.0026667 k( 42) = ( 0.3534483 0.0000000 0.0000000), wk = 0.0026667 k( 43) = ( 0.3620690 -0.0000000 0.0000000), wk = 0.0026667 k( 44) = ( 0.3706897 0.0000000 0.0000000), wk = 0.0026667 k( 45) = ( 0.3793103 -0.0000000 0.0000000), wk = 0.0026667 k( 46) = ( 0.3879310 -0.0000000 0.0000000), wk = 0.0026667 k( 47) = ( 0.3965517 -0.0000000 0.0000000), wk = 0.0026667 k( 48) = ( 0.4051724 0.0000000 0.0000000), wk = 0.0026667 k( 49) = ( 0.4137931 -0.0000000 0.0000000), wk = 0.0026667 k( 50) = ( 0.4224138 -0.0000000 0.0000000), wk = 0.0026667 k( 51) = ( 0.4310345 0.0000000 0.0000000), wk = 0.0026667 k( 52) = ( 0.4396552 -0.0000000 0.0000000), wk = 0.0026667 k( 53) = ( 0.4482759 0.0000000 0.0000000), wk = 0.0026667 k( 54) = ( 0.4568966 0.0000000 0.0000000), wk = 0.0026667 k( 55) = ( 0.4655172 -0.0000000 0.0000000), wk = 0.0026667 k( 56) = ( 0.4741379 -0.0000000 0.0000000), wk = 0.0026667 k( 57) = ( 0.4827586 -0.0000000 0.0000000), wk = 0.0026667 k( 58) = ( 0.4913793 0.0000000 0.0000000), wk = 0.0026667 k( 59) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026667 k( 60) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026667 k( 61) = ( 0.5000000 0.0050446 -0.0050446), wk = 0.0026667 k( 62) = ( 0.5000000 0.0100892 -0.0100892), wk = 0.0026667 k( 63) = ( 0.5000000 0.0151338 -0.0151338), wk = 0.0026667 k( 64) = ( 0.5000000 0.0201784 -0.0201784), wk = 0.0026667 k( 65) = ( 0.5000000 0.0252230 -0.0252230), wk = 0.0026667 k( 66) = ( 0.5000000 0.0302677 -0.0302676), wk = 0.0026667 k( 67) = ( 0.5000000 0.0353122 -0.0353122), wk = 0.0026667 k( 68) = ( 0.5000000 0.0403569 -0.0403569), wk = 0.0026667 k( 69) = ( 0.5000000 0.0454015 -0.0454015), wk = 0.0026667 k( 70) = ( 0.5000000 0.0504461 -0.0504461), wk = 0.0026667 k( 71) = ( 0.5000000 0.0554907 -0.0554907), wk = 0.0026667 k( 72) = ( 0.5000000 0.0605353 -0.0605353), wk = 0.0026667 k( 73) = ( 0.5000000 0.0655799 -0.0655799), wk = 0.0026667 k( 74) = ( 0.5000000 0.0706245 -0.0706245), wk = 0.0026667 k( 75) = ( 0.5000000 0.0756691 -0.0756691), wk = 0.0026667 k( 76) = ( 0.5000000 0.0807137 -0.0807137), wk = 0.0026667 k( 77) = ( 0.5000000 0.0857583 -0.0857583), wk = 0.0026667 k( 78) = ( 0.5000000 0.0908029 -0.0908029), wk = 0.0026667 k( 79) = ( 0.5000000 0.0958475 -0.0958475), wk = 0.0026667 k( 80) = ( 0.5000000 0.1008922 -0.1008921), wk = 0.0026667 k( 81) = ( 0.5000000 0.1059368 -0.1059368), wk = 0.0026667 k( 82) = ( 0.5000000 0.1109814 -0.1109814), wk = 0.0026667 k( 83) = ( 0.5000000 0.1160260 -0.1160260), wk = 0.0026667 k( 84) = ( 0.5000000 0.1210706 -0.1210706), wk = 0.0026667 k( 85) = ( 0.5000000 0.1261152 -0.1261152), wk = 0.0026667 k( 86) = ( 0.5000000 0.1311598 -0.1311598), wk = 0.0026667 k( 87) = ( 0.5000000 0.1362044 -0.1362044), wk = 0.0026667 k( 88) = ( 0.5000000 0.1412490 -0.1412490), wk = 0.0026667 k( 89) = ( 0.5000000 0.1462936 -0.1462936), wk = 0.0026667 k( 90) = ( 0.5000000 0.1513382 -0.1513382), wk = 0.0026667 k( 91) = ( 0.5000000 0.1563828 -0.1563828), wk = 0.0026667 k( 92) = ( 0.5000000 0.1614274 -0.1614274), wk = 0.0026667 k( 93) = ( 0.5000000 0.1664721 -0.1664720), wk = 0.0026667 k( 94) = ( 0.5000000 0.1715167 -0.1715167), wk = 0.0026667 k( 95) = ( 0.5000000 0.1765613 -0.1765613), wk = 0.0026667 k( 96) = ( 0.5000000 0.1816059 -0.1816059), wk = 0.0026667 k( 97) = ( 0.8183941 0.5000000 0.1816059), wk = 0.0026667 k( 98) = ( 0.8134192 0.5000000 0.1865808), wk = 0.0026667 k( 99) = ( 0.8084443 0.5000000 0.1915557), wk = 0.0026667 k( 100) = ( 0.8034694 0.5000000 0.1965306), wk = 0.0026667 k( 101) = ( 0.7984945 0.5000000 0.2015055), wk = 0.0026667 k( 102) = ( 0.7935196 0.5000000 0.2064804), wk = 0.0026667 k( 103) = ( 0.7885447 0.5000000 0.2114553), wk = 0.0026667 k( 104) = ( 0.7835698 0.5000000 0.2164302), wk = 0.0026667 k( 105) = ( 0.7785949 0.5000000 0.2214051), wk = 0.0026667 k( 106) = ( 0.7736199 0.5000000 0.2263801), wk = 0.0026667 k( 107) = ( 0.7686450 0.5000000 0.2313550), wk = 0.0026667 k( 108) = ( 0.7636701 0.5000000 0.2363299), wk = 0.0026667 k( 109) = ( 0.7586952 0.5000000 0.2413048), wk = 0.0026667 k( 110) = ( 0.7537203 0.5000000 0.2462797), wk = 0.0026667 k( 111) = ( 0.7487454 0.5000000 0.2512546), wk = 0.0026667 k( 112) = ( 0.7437705 0.5000000 0.2562295), wk = 0.0026667 k( 113) = ( 0.7387956 0.5000000 0.2612044), wk = 0.0026667 k( 114) = ( 0.7338207 0.5000000 0.2661793), wk = 0.0026667 k( 115) = ( 0.7288458 0.5000000 0.2711542), wk = 0.0026667 k( 116) = ( 0.7238709 0.5000000 0.2761291), wk = 0.0026667 k( 117) = ( 0.7188960 0.5000000 0.2811040), wk = 0.0026667 k( 118) = ( 0.7139210 0.5000000 0.2860790), wk = 0.0026667 k( 119) = ( 0.7089462 0.5000000 0.2910539), wk = 0.0026667 k( 120) = ( 0.7039712 0.5000000 0.2960288), wk = 0.0026667 k( 121) = ( 0.6989963 0.5000000 0.3010037), wk = 0.0026667 k( 122) = ( 0.6940214 0.5000000 0.3059786), wk = 0.0026667 k( 123) = ( 0.6890465 0.5000000 0.3109535), wk = 0.0026667 k( 124) = ( 0.6840716 0.5000000 0.3159284), wk = 0.0026667 k( 125) = ( 0.6790967 0.5000000 0.3209033), wk = 0.0026667 k( 126) = ( 0.6741218 0.5000000 0.3258782), wk = 0.0026667 k( 127) = ( 0.6691469 0.5000000 0.3308531), wk = 0.0026667 k( 128) = ( 0.6641720 0.5000000 0.3358280), wk = 0.0026667 k( 129) = ( 0.6591971 0.5000000 0.3408029), wk = 0.0026667 k( 130) = ( 0.6542222 0.5000000 0.3457778), wk = 0.0026667 k( 131) = ( 0.6492473 0.5000000 0.3507528), wk = 0.0026667 k( 132) = ( 0.6442723 0.5000000 0.3557277), wk = 0.0026667 k( 133) = ( 0.6392974 0.5000000 0.3607026), wk = 0.0026667 k( 134) = ( 0.6343225 0.5000000 0.3656775), wk = 0.0026667 k( 135) = ( 0.6293476 0.5000000 0.3706524), wk = 0.0026667 k( 136) = ( 0.6243727 0.5000000 0.3756273), wk = 0.0026667 k( 137) = ( 0.6193978 0.5000000 0.3806022), wk = 0.0026667 k( 138) = ( 0.6144229 0.5000000 0.3855771), wk = 0.0026667 k( 139) = ( 0.6094480 0.5000000 0.3905520), wk = 0.0026667 k( 140) = ( 0.6044731 0.5000000 0.3955269), wk = 0.0026667 k( 141) = ( 0.5994982 0.5000000 0.4005018), wk = 0.0026667 k( 142) = ( 0.5945233 0.5000000 0.4054767), wk = 0.0026667 k( 143) = ( 0.5895484 0.5000000 0.4104517), wk = 0.0026667 k( 144) = ( 0.5845734 0.5000000 0.4154266), wk = 0.0026667 k( 145) = ( 0.5795985 0.5000000 0.4204015), wk = 0.0026667 k( 146) = ( 0.5746236 0.5000000 0.4253764), wk = 0.0026667 k( 147) = ( 0.5696487 0.5000000 0.4303513), wk = 0.0026667 k( 148) = ( 0.5646738 0.5000000 0.4353262), wk = 0.0026667 k( 149) = ( 0.5596989 0.5000000 0.4403011), wk = 0.0026667 k( 150) = ( 0.5547240 0.5000000 0.4452760), wk = 0.0026667 k( 151) = ( 0.5497491 0.5000000 0.4502509), wk = 0.0026667 k( 152) = ( 0.5447742 0.5000000 0.4552258), wk = 0.0026667 k( 153) = ( 0.5397993 0.5000000 0.4602007), wk = 0.0026667 k( 154) = ( 0.5348244 0.5000000 0.4651756), wk = 0.0026667 k( 155) = ( 0.5298495 0.5000000 0.4701506), wk = 0.0026667 k( 156) = ( 0.5248745 0.5000000 0.4751255), wk = 0.0026667 k( 157) = ( 0.5198996 0.5000000 0.4801004), wk = 0.0026667 k( 158) = ( 0.5149247 0.5000000 0.4850753), wk = 0.0026667 k( 159) = ( 0.5099498 0.5000000 0.4900502), wk = 0.0026667 k( 160) = ( 0.5049749 0.5000000 0.4950251), wk = 0.0026667 k( 161) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 k( 162) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 k( 163) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0026667 k( 164) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0026667 k( 165) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0026667 k( 166) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0026667 k( 167) = ( 0.4038462 0.4038462 0.4038462), wk = 0.0026667 k( 168) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0026667 k( 169) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0026667 k( 170) = ( 0.3461538 0.3461538 0.3461539), wk = 0.0026667 k( 171) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0026667 k( 172) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0026667 k( 173) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0026667 k( 174) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0026667 k( 175) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026667 k( 176) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0026667 k( 177) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0026667 k( 178) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0026667 k( 179) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0026667 k( 180) = ( 0.1538461 0.1538462 0.1538461), wk = 0.0026667 k( 181) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0026667 k( 182) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0026667 k( 183) = ( 0.0961538 0.0961538 0.0961539), wk = 0.0026667 k( 184) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0026667 k( 185) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0026667 k( 186) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0026667 k( 187) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0026667 k( 188) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 189) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 190) = ( 0.0050118 0.0000000 -0.0050118), wk = 0.0026667 k( 191) = ( 0.0100236 0.0000000 -0.0100236), wk = 0.0026667 k( 192) = ( 0.0150354 0.0000000 -0.0150354), wk = 0.0026667 k( 193) = ( 0.0200472 -0.0000000 -0.0200472), wk = 0.0026667 k( 194) = ( 0.0250590 0.0000000 -0.0250590), wk = 0.0026667 k( 195) = ( 0.0300708 0.0000000 -0.0300708), wk = 0.0026667 k( 196) = ( 0.0350827 -0.0000000 -0.0350827), wk = 0.0026667 k( 197) = ( 0.0400945 -0.0000000 -0.0400945), wk = 0.0026667 k( 198) = ( 0.0451063 -0.0000000 -0.0451063), wk = 0.0026667 k( 199) = ( 0.0501181 0.0000000 -0.0501181), wk = 0.0026667 k( 200) = ( 0.0551299 -0.0000000 -0.0551299), wk = 0.0026667 k( 201) = ( 0.0601417 0.0000000 -0.0601417), wk = 0.0026667 k( 202) = ( 0.0651535 -0.0000000 -0.0651535), wk = 0.0026667 k( 203) = ( 0.0701653 -0.0000000 -0.0701653), wk = 0.0026667 k( 204) = ( 0.0751771 0.0000000 -0.0751771), wk = 0.0026667 k( 205) = ( 0.0801889 0.0000000 -0.0801889), wk = 0.0026667 k( 206) = ( 0.0852007 -0.0000000 -0.0852007), wk = 0.0026667 k( 207) = ( 0.0902125 -0.0000000 -0.0902125), wk = 0.0026667 k( 208) = ( 0.0952243 -0.0000000 -0.0952243), wk = 0.0026667 k( 209) = ( 0.1002362 0.0000000 -0.1002362), wk = 0.0026667 k( 210) = ( 0.1052480 -0.0000000 -0.1052480), wk = 0.0026667 k( 211) = ( 0.1102598 0.0000000 -0.1102598), wk = 0.0026667 k( 212) = ( 0.1152716 0.0000000 -0.1152716), wk = 0.0026667 k( 213) = ( 0.1202834 0.0000000 -0.1202834), wk = 0.0026667 k( 214) = ( 0.1252952 0.0000000 -0.1252952), wk = 0.0026667 k( 215) = ( 0.1303070 0.0000000 -0.1303070), wk = 0.0026667 k( 216) = ( 0.1353188 0.0000000 -0.1353188), wk = 0.0026667 k( 217) = ( 0.1403306 -0.0000000 -0.1403306), wk = 0.0026667 k( 218) = ( 0.1453424 -0.0000000 -0.1453424), wk = 0.0026667 k( 219) = ( 0.1503542 0.0000000 -0.1503542), wk = 0.0026667 k( 220) = ( 0.1553660 -0.0000000 -0.1553660), wk = 0.0026667 k( 221) = ( 0.1603778 0.0000000 -0.1603778), wk = 0.0026667 k( 222) = ( 0.1653897 -0.0000000 -0.1653897), wk = 0.0026667 k( 223) = ( 0.1704015 -0.0000000 -0.1704015), wk = 0.0026667 k( 224) = ( 0.1754133 0.0000000 -0.1754133), wk = 0.0026667 k( 225) = ( 0.1804251 -0.0000000 -0.1804251), wk = 0.0026667 k( 226) = ( 0.1854369 0.0000000 -0.1854369), wk = 0.0026667 k( 227) = ( 0.1904487 -0.0000000 -0.1904487), wk = 0.0026667 k( 228) = ( 0.1954605 -0.0000000 -0.1954605), wk = 0.0026667 k( 229) = ( 0.2004723 0.0000000 -0.2004723), wk = 0.0026667 k( 230) = ( 0.2054841 -0.0000000 -0.2054841), wk = 0.0026667 k( 231) = ( 0.2104959 -0.0000000 -0.2104959), wk = 0.0026667 k( 232) = ( 0.2155077 -0.0000000 -0.2155077), wk = 0.0026667 k( 233) = ( 0.2205196 -0.0000000 -0.2205196), wk = 0.0026667 k( 234) = ( 0.2255314 -0.0000000 -0.2255314), wk = 0.0026667 k( 235) = ( 0.2305432 0.0000000 -0.2305432), wk = 0.0026667 k( 236) = ( 0.2355550 -0.0000000 -0.2355550), wk = 0.0026667 k( 237) = ( 0.2405668 0.0000000 -0.2405668), wk = 0.0026667 k( 238) = ( 0.2455786 -0.0000000 -0.2455786), wk = 0.0026667 k( 239) = ( 0.2505904 -0.0000000 -0.2505904), wk = 0.0026667 k( 240) = ( 0.2556022 0.0000000 -0.2556022), wk = 0.0026667 k( 241) = ( 0.2606140 -0.0000000 -0.2606140), wk = 0.0026667 k( 242) = ( 0.2656258 -0.0000000 -0.2656258), wk = 0.0026667 k( 243) = ( 0.2706376 -0.0000000 -0.2706376), wk = 0.0026667 k( 244) = ( 0.2756494 0.0000000 -0.2756494), wk = 0.0026667 k( 245) = ( 0.2806612 -0.0000000 -0.2806612), wk = 0.0026667 k( 246) = ( 0.2856730 0.0000000 -0.2856730), wk = 0.0026667 k( 247) = ( 0.2906849 -0.0000000 -0.2906849), wk = 0.0026667 k( 248) = ( 0.2956967 -0.0000000 -0.2956967), wk = 0.0026667 k( 249) = ( 0.3007085 0.0000000 -0.3007085), wk = 0.0026667 k( 250) = ( 0.3057203 0.0000000 -0.3057203), wk = 0.0026667 k( 251) = ( 0.3107321 -0.0000000 -0.3107321), wk = 0.0026667 k( 252) = ( 0.3157439 0.0000000 -0.3157439), wk = 0.0026667 k( 253) = ( 0.3207557 -0.0000000 -0.3207557), wk = 0.0026667 k( 254) = ( 0.3257675 -0.0000000 -0.3257675), wk = 0.0026667 k( 255) = ( 0.3307793 -0.0000000 -0.3307793), wk = 0.0026667 k( 256) = ( 0.3357911 0.0000000 -0.3357911), wk = 0.0026667 k( 257) = ( 0.3408029 -0.0000000 -0.3408029), wk = 0.0026667 k( 258) = ( 0.6591971 0.3408029 0.0000000), wk = 0.0026667 k( 259) = ( 0.6542222 0.3457778 0.0000000), wk = 0.0026667 k( 260) = ( 0.6492473 0.3507528 0.0000000), wk = 0.0026667 k( 261) = ( 0.6442723 0.3557277 0.0000000), wk = 0.0026667 k( 262) = ( 0.6392974 0.3607026 0.0000000), wk = 0.0026667 k( 263) = ( 0.6343225 0.3656775 0.0000000), wk = 0.0026667 k( 264) = ( 0.6293476 0.3706524 0.0000000), wk = 0.0026667 k( 265) = ( 0.6243727 0.3756273 0.0000000), wk = 0.0026667 k( 266) = ( 0.6193978 0.3806022 0.0000000), wk = 0.0026667 k( 267) = ( 0.6144229 0.3855771 0.0000000), wk = 0.0026667 k( 268) = ( 0.6094480 0.3905520 0.0000000), wk = 0.0026667 k( 269) = ( 0.6044731 0.3955269 0.0000000), wk = 0.0026667 k( 270) = ( 0.5994982 0.4005018 0.0000000), wk = 0.0026667 k( 271) = ( 0.5945233 0.4054767 0.0000000), wk = 0.0026667 k( 272) = ( 0.5895484 0.4104517 0.0000000), wk = 0.0026667 k( 273) = ( 0.5845734 0.4154266 0.0000000), wk = 0.0026667 k( 274) = ( 0.5795985 0.4204015 0.0000000), wk = 0.0026667 k( 275) = ( 0.5746236 0.4253764 0.0000000), wk = 0.0026667 k( 276) = ( 0.5696487 0.4303513 0.0000000), wk = 0.0026667 k( 277) = ( 0.5646738 0.4353262 0.0000000), wk = 0.0026667 k( 278) = ( 0.5596989 0.4403011 0.0000000), wk = 0.0026667 k( 279) = ( 0.5547240 0.4452760 0.0000000), wk = 0.0026667 k( 280) = ( 0.5497491 0.4502509 0.0000000), wk = 0.0026667 k( 281) = ( 0.5447742 0.4552258 0.0000000), wk = 0.0026667 k( 282) = ( 0.5397993 0.4602007 0.0000000), wk = 0.0026667 k( 283) = ( 0.5348244 0.4651756 0.0000000), wk = 0.0026667 k( 284) = ( 0.5298495 0.4701506 0.0000000), wk = 0.0026667 k( 285) = ( 0.5248745 0.4751255 -0.0000000), wk = 0.0026667 k( 286) = ( 0.5198996 0.4801004 0.0000000), wk = 0.0026667 k( 287) = ( 0.5149247 0.4850753 -0.0000000), wk = 0.0026667 k( 288) = ( 0.5099498 0.4900502 0.0000000), wk = 0.0026667 k( 289) = ( 0.5049749 0.4950251 0.0000000), wk = 0.0026667 k( 290) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026667 k( 291) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026667 k( 292) = ( 0.5176886 0.5176886 0.0201784), wk = 0.0026667 k( 293) = ( 0.5353771 0.5353771 0.0403569), wk = 0.0026667 k( 294) = ( 0.5530657 0.5530657 0.0605353), wk = 0.0026667 k( 295) = ( 0.5707543 0.5707543 0.0807137), wk = 0.0026667 k( 296) = ( 0.5884428 0.5884428 0.1008922), wk = 0.0026667 k( 297) = ( 0.6061314 0.6061314 0.1210706), wk = 0.0026667 k( 298) = ( 0.6238199 0.6238199 0.1412490), wk = 0.0026667 k( 299) = ( 0.6415085 0.6415085 0.1614274), wk = 0.0026667 k( 300) = ( 0.6591971 0.6591971 0.1816059), wk = 0.0026667 k( 301) = ( 0.6591971 0.6591971 0.1816059), wk = 0.0026667 k( 302) = ( 0.6563026 0.6563026 0.1873949), wk = 0.0026667 k( 303) = ( 0.6534081 0.6534081 0.1931838), wk = 0.0026667 k( 304) = ( 0.6505136 0.6505136 0.1989728), wk = 0.0026667 k( 305) = ( 0.6476191 0.6476191 0.2047618), wk = 0.0026667 k( 306) = ( 0.6447246 0.6447246 0.2105508), wk = 0.0026667 k( 307) = ( 0.6418301 0.6418301 0.2163398), wk = 0.0026667 k( 308) = ( 0.6389356 0.6389356 0.2221288), wk = 0.0026667 k( 309) = ( 0.6360411 0.6360411 0.2279178), wk = 0.0026667 k( 310) = ( 0.6331466 0.6331466 0.2337067), wk = 0.0026667 k( 311) = ( 0.6302521 0.6302521 0.2394957), wk = 0.0026667 k( 312) = ( 0.6273576 0.6273576 0.2452847), wk = 0.0026667 k( 313) = ( 0.6244632 0.6244632 0.2510737), wk = 0.0026667 k( 314) = ( 0.6215687 0.6215687 0.2568627), wk = 0.0026667 k( 315) = ( 0.6186742 0.6186742 0.2626517), wk = 0.0026667 k( 316) = ( 0.6157797 0.6157797 0.2684406), wk = 0.0026667 k( 317) = ( 0.6128852 0.6128852 0.2742296), wk = 0.0026667 k( 318) = ( 0.6099907 0.6099907 0.2800186), wk = 0.0026667 k( 319) = ( 0.6070962 0.6070962 0.2858076), wk = 0.0026667 k( 320) = ( 0.6042017 0.6042017 0.2915966), wk = 0.0026667 k( 321) = ( 0.6013072 0.6013072 0.2973856), wk = 0.0026667 k( 322) = ( 0.5984127 0.5984127 0.3031745), wk = 0.0026667 k( 323) = ( 0.5955182 0.5955182 0.3089635), wk = 0.0026667 k( 324) = ( 0.5926238 0.5926238 0.3147525), wk = 0.0026667 k( 325) = ( 0.5897292 0.5897292 0.3205415), wk = 0.0026667 k( 326) = ( 0.5868348 0.5868348 0.3263305), wk = 0.0026667 k( 327) = ( 0.5839403 0.5839403 0.3321195), wk = 0.0026667 k( 328) = ( 0.5810458 0.5810458 0.3379084), wk = 0.0026667 k( 329) = ( 0.5781513 0.5781513 0.3436974), wk = 0.0026667 k( 330) = ( 0.5752568 0.5752568 0.3494864), wk = 0.0026667 k( 331) = ( 0.5723623 0.5723623 0.3552754), wk = 0.0026667 k( 332) = ( 0.5694678 0.5694678 0.3610644), wk = 0.0026667 k( 333) = ( 0.5665733 0.5665733 0.3668534), wk = 0.0026667 k( 334) = ( 0.5636788 0.5636788 0.3726424), wk = 0.0026667 k( 335) = ( 0.5607843 0.5607843 0.3784313), wk = 0.0026667 k( 336) = ( 0.5578898 0.5578898 0.3842203), wk = 0.0026667 k( 337) = ( 0.5549953 0.5549953 0.3900093), wk = 0.0026667 k( 338) = ( 0.5521009 0.5521009 0.3957983), wk = 0.0026667 k( 339) = ( 0.5492064 0.5492064 0.4015873), wk = 0.0026667 k( 340) = ( 0.5463119 0.5463119 0.4073763), wk = 0.0026667 k( 341) = ( 0.5434174 0.5434174 0.4131652), wk = 0.0026667 k( 342) = ( 0.5405229 0.5405229 0.4189542), wk = 0.0026667 k( 343) = ( 0.5376284 0.5376284 0.4247432), wk = 0.0026667 k( 344) = ( 0.5347339 0.5347339 0.4305322), wk = 0.0026667 k( 345) = ( 0.5318394 0.5318394 0.4363212), wk = 0.0026667 k( 346) = ( 0.5289449 0.5289449 0.4421102), wk = 0.0026667 k( 347) = ( 0.5260504 0.5260504 0.4478991), wk = 0.0026667 k( 348) = ( 0.5231559 0.5231559 0.4536881), wk = 0.0026667 k( 349) = ( 0.5202614 0.5202614 0.4594771), wk = 0.0026667 k( 350) = ( 0.5173669 0.5173669 0.4652661), wk = 0.0026667 k( 351) = ( 0.5144725 0.5144725 0.4710551), wk = 0.0026667 k( 352) = ( 0.5115780 0.5115780 0.4768441), wk = 0.0026667 k( 353) = ( 0.5086835 0.5086835 0.4826331), wk = 0.0026667 k( 354) = ( 0.5057890 0.5057890 0.4884220), wk = 0.0026667 k( 355) = ( 0.5028945 0.5028945 0.4942110), wk = 0.0026667 k( 356) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 k( 357) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026667 k( 358) = ( 0.5176886 0.0189335 0.0189335), wk = 0.0026667 k( 359) = ( 0.5353771 0.0378670 0.0378670), wk = 0.0026667 k( 360) = ( 0.5530657 0.0568005 0.0568005), wk = 0.0026667 k( 361) = ( 0.5707543 0.0757340 0.0757340), wk = 0.0026667 k( 362) = ( 0.5884428 0.0946675 0.0946675), wk = 0.0026667 k( 363) = ( 0.6061314 0.1136010 0.1136010), wk = 0.0026667 k( 364) = ( 0.6238199 0.1325345 0.1325345), wk = 0.0026667 k( 365) = ( 0.6415085 0.1514680 0.1514680), wk = 0.0026667 k( 366) = ( 0.6591971 0.1704015 0.1704015), wk = 0.0026667 k( 367) = ( 0.6768856 0.1893350 0.1893350), wk = 0.0026667 k( 368) = ( 0.6945742 0.2082685 0.2082685), wk = 0.0026667 k( 369) = ( 0.7122627 0.2272020 0.2272020), wk = 0.0026667 k( 370) = ( 0.7299513 0.2461354 0.2461355), wk = 0.0026667 k( 371) = ( 0.7476399 0.2650689 0.2650690), wk = 0.0026667 k( 372) = ( 0.7653284 0.2840025 0.2840025), wk = 0.0026667 k( 373) = ( 0.7830170 0.3029359 0.3029359), wk = 0.0026667 k( 374) = ( 0.8007056 0.3218694 0.3218694), wk = 0.0026667 k( 375) = ( 0.8183941 0.3408029 0.3408029), wk = 0.0026667 Dense grid: 32633 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 17219 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 114, 34) NL pseudopotentials 0.09 Mb ( 57, 102) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 908) G-vector shells 0.01 Mb ( 771) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.24 Mb ( 114, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) 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 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.4 secs Computing kpt #: 5 total cpu time spent up to now is 4.6 secs Computing kpt #: 6 total cpu time spent up to now is 4.9 secs Computing kpt #: 7 total cpu time spent up to now is 5.1 secs Computing kpt #: 8 total cpu time spent up to now is 5.4 secs Computing kpt #: 9 total cpu time spent up to now is 5.6 secs Computing kpt #: 10 total cpu time spent up to now is 5.9 secs Computing kpt #: 11 total cpu time spent up to now is 6.1 secs Computing kpt #: 12 total cpu time spent up to now is 6.4 secs Computing kpt #: 13 total cpu time spent up to now is 6.6 secs Computing kpt #: 14 total cpu time spent up to now is 6.9 secs Computing kpt #: 15 total cpu time spent up to now is 7.1 secs Computing kpt #: 16 total cpu time spent up to now is 7.4 secs Computing kpt #: 17 total cpu time spent up to now is 7.6 secs Computing kpt #: 18 total cpu time spent up to now is 7.9 secs Computing kpt #: 19 total cpu time spent up to now is 8.1 secs Computing kpt #: 20 total cpu time spent up to now is 8.4 secs Computing kpt #: 21 total cpu time spent up to now is 8.6 secs Computing kpt #: 22 total cpu time spent up to now is 8.9 secs Computing kpt #: 23 total cpu time spent up to now is 9.2 secs Computing kpt #: 24 total cpu time spent up to now is 9.4 secs Computing kpt #: 25 total cpu time spent up to now is 9.7 secs Computing kpt #: 26 total cpu time spent up to now is 9.9 secs Computing kpt #: 27 total cpu time spent up to now is 10.2 secs Computing kpt #: 28 total cpu time spent up to now is 10.4 secs Computing kpt #: 29 total cpu time spent up to now is 10.7 secs Computing kpt #: 30 total cpu time spent up to now is 10.9 secs Computing kpt #: 31 total cpu time spent up to now is 11.2 secs Computing kpt #: 32 total cpu time spent up to now is 11.4 secs Computing kpt #: 33 total cpu time spent up to now is 11.7 secs Computing kpt #: 34 total cpu time spent up to now is 12.0 secs Computing kpt #: 35 total cpu time spent up to now is 12.2 secs Computing kpt #: 36 total cpu time spent up to now is 12.5 secs Computing kpt #: 37 total cpu time spent up to now is 12.8 secs Computing kpt #: 38 total cpu time spent up to now is 13.0 secs Computing kpt #: 39 total cpu time spent up to now is 13.3 secs Computing kpt #: 40 total cpu time spent up to now is 13.6 secs Computing kpt #: 41 total cpu time spent up to now is 13.8 secs Computing kpt #: 42 total cpu time spent up to now is 14.1 secs Computing kpt #: 43 total cpu time spent up to now is 14.3 secs Computing kpt #: 44 total cpu time spent up to now is 14.6 secs Computing kpt #: 45 total cpu time spent up to now is 14.9 secs Computing kpt #: 46 total cpu time spent up to now is 15.1 secs Computing kpt #: 47 total cpu time spent up to now is 15.4 secs Computing kpt #: 48 total cpu time spent up to now is 15.7 secs Computing kpt #: 49 total cpu time spent up to now is 15.9 secs Computing kpt #: 50 total cpu time spent up to now is 16.2 secs Computing kpt #: 51 total cpu time spent up to now is 16.5 secs Computing kpt #: 52 total cpu time spent up to now is 16.8 secs Computing kpt #: 53 total cpu time spent up to now is 17.0 secs Computing kpt #: 54 total cpu time spent up to now is 17.3 secs Computing kpt #: 55 total cpu time spent up to now is 17.6 secs Computing kpt #: 56 total cpu time spent up to now is 17.8 secs Computing kpt #: 57 total cpu time spent up to now is 18.1 secs Computing kpt #: 58 total cpu time spent up to now is 18.4 secs Computing kpt #: 59 total cpu time spent up to now is 18.7 secs Computing kpt #: 60 total cpu time spent up to now is 18.9 secs Computing kpt #: 61 total cpu time spent up to now is 19.2 secs Computing kpt #: 62 total cpu time spent up to now is 19.5 secs Computing kpt #: 63 total cpu time spent up to now is 19.7 secs Computing kpt #: 64 total cpu time spent up to now is 20.0 secs Computing kpt #: 65 total cpu time spent up to now is 20.3 secs Computing kpt #: 66 total cpu time spent up to now is 20.5 secs Computing kpt #: 67 total cpu time spent up to now is 20.8 secs Computing kpt #: 68 total cpu time spent up to now is 21.1 secs Computing kpt #: 69 total cpu time spent up to now is 21.3 secs Computing kpt #: 70 total cpu time spent up to now is 21.6 secs Computing kpt #: 71 total cpu time spent up to now is 21.9 secs Computing kpt #: 72 total cpu time spent up to now is 22.1 secs Computing kpt #: 73 total cpu time spent up to now is 22.4 secs Computing kpt #: 74 total cpu time spent up to now is 22.7 secs Computing kpt #: 75 total cpu time spent up to now is 22.9 secs Computing kpt #: 76 total cpu time spent up to now is 23.2 secs Computing kpt #: 77 total cpu time spent up to now is 23.4 secs Computing kpt #: 78 total cpu time spent up to now is 23.7 secs Computing kpt #: 79 total cpu time spent up to now is 24.0 secs Computing kpt #: 80 total cpu time spent up to now is 24.2 secs Computing kpt #: 81 total cpu time spent up to now is 24.5 secs Computing kpt #: 82 total cpu time spent up to now is 24.7 secs Computing kpt #: 83 total cpu time spent up to now is 25.0 secs Computing kpt #: 84 total cpu time spent up to now is 25.2 secs Computing kpt #: 85 total cpu time spent up to now is 25.5 secs Computing kpt #: 86 total cpu time spent up to now is 25.8 secs Computing kpt #: 87 total cpu time spent up to now is 26.0 secs Computing kpt #: 88 total cpu time spent up to now is 26.3 secs Computing kpt #: 89 total cpu time spent up to now is 26.5 secs Computing kpt #: 90 total cpu time spent up to now is 26.8 secs Computing kpt #: 91 total cpu time spent up to now is 27.1 secs Computing kpt #: 92 total cpu time spent up to now is 27.3 secs Computing kpt #: 93 total cpu time spent up to now is 27.6 secs Computing kpt #: 94 total cpu time spent up to now is 27.8 secs Computing kpt #: 95 total cpu time spent up to now is 28.1 secs Computing kpt #: 96 total cpu time spent up to now is 28.4 secs Computing kpt #: 97 total cpu time spent up to now is 28.6 secs Computing kpt #: 98 total cpu time spent up to now is 28.9 secs Computing kpt #: 99 total cpu time spent up to now is 29.1 secs Computing kpt #: 100 total cpu time spent up to now is 29.4 secs Computing kpt #: 101 total cpu time spent up to now is 29.7 secs Computing kpt #: 102 total cpu time spent up to now is 29.9 secs Computing kpt #: 103 total cpu time spent up to now is 30.2 secs Computing kpt #: 104 total cpu time spent up to now is 30.4 secs Computing kpt #: 105 total cpu time spent up to now is 30.7 secs Computing kpt #: 106 total cpu time spent up to now is 31.0 secs Computing kpt #: 107 total cpu time spent up to now is 31.2 secs Computing kpt #: 108 total cpu time spent up to now is 31.5 secs Computing kpt #: 109 total cpu time spent up to now is 31.8 secs Computing kpt #: 110 total cpu time spent up to now is 32.0 secs Computing kpt #: 111 total cpu time spent up to now is 32.3 secs Computing kpt #: 112 total cpu time spent up to now is 32.5 secs Computing kpt #: 113 total cpu time spent up to now is 32.8 secs Computing kpt #: 114 total cpu time spent up to now is 33.1 secs Computing kpt #: 115 total cpu time spent up to now is 33.3 secs Computing kpt #: 116 total cpu time spent up to now is 33.6 secs Computing kpt #: 117 total cpu time spent up to now is 33.9 secs Computing kpt #: 118 total cpu time spent up to now is 34.1 secs Computing kpt #: 119 total cpu time spent up to now is 34.4 secs Computing kpt #: 120 total cpu time spent up to now is 34.7 secs Computing kpt #: 121 total cpu time spent up to now is 34.9 secs Computing kpt #: 122 total cpu time spent up to now is 35.2 secs Computing kpt #: 123 total cpu time spent up to now is 35.4 secs Computing kpt #: 124 total cpu time spent up to now is 35.7 secs Computing kpt #: 125 total cpu time spent up to now is 36.0 secs Computing kpt #: 126 total cpu time spent up to now is 36.2 secs Computing kpt #: 127 total cpu time spent up to now is 36.5 secs Computing kpt #: 128 total cpu time spent up to now is 36.7 secs Computing kpt #: 129 total cpu time spent up to now is 37.0 secs Computing kpt #: 130 total cpu time spent up to now is 37.2 secs Computing kpt #: 131 total cpu time spent up to now is 37.5 secs Computing kpt #: 132 total cpu time spent up to now is 37.7 secs Computing kpt #: 133 total cpu time spent up to now is 38.0 secs Computing kpt #: 134 total cpu time spent up to now is 38.2 secs Computing kpt #: 135 total cpu time spent up to now is 38.5 secs Computing kpt #: 136 total cpu time spent up to now is 38.8 secs Computing kpt #: 137 total cpu time spent up to now is 39.0 secs Computing kpt #: 138 total cpu time spent up to now is 39.3 secs Computing kpt #: 139 total cpu time spent up to now is 39.5 secs Computing kpt #: 140 total cpu time spent up to now is 39.8 secs Computing kpt #: 141 total cpu time spent up to now is 40.0 secs Computing kpt #: 142 total cpu time spent up to now is 40.3 secs Computing kpt #: 143 total cpu time spent up to now is 40.5 secs Computing kpt #: 144 total cpu time spent up to now is 40.8 secs Computing kpt #: 145 total cpu time spent up to now is 41.0 secs Computing kpt #: 146 total cpu time spent up to now is 41.3 secs Computing kpt #: 147 total cpu time spent up to now is 41.6 secs Computing kpt #: 148 total cpu time spent up to now is 41.8 secs Computing kpt #: 149 total cpu time spent up to now is 42.7 secs Computing kpt #: 150 total cpu time spent up to now is 43.0 secs Computing kpt #: 151 total cpu time spent up to now is 43.3 secs Computing kpt #: 152 total cpu time spent up to now is 43.5 secs Computing kpt #: 153 total cpu time spent up to now is 43.8 secs Computing kpt #: 154 total cpu time spent up to now is 44.0 secs Computing kpt #: 155 total cpu time spent up to now is 44.3 secs Computing kpt #: 156 total cpu time spent up to now is 44.6 secs Computing kpt #: 157 total cpu time spent up to now is 44.8 secs Computing kpt #: 158 total cpu time spent up to now is 45.1 secs Computing kpt #: 159 total cpu time spent up to now is 45.4 secs Computing kpt #: 160 total cpu time spent up to now is 45.6 secs Computing kpt #: 161 total cpu time spent up to now is 45.8 secs Computing kpt #: 162 total cpu time spent up to now is 46.1 secs Computing kpt #: 163 total cpu time spent up to now is 46.3 secs Computing kpt #: 164 total cpu time spent up to now is 46.6 secs Computing kpt #: 165 total cpu time spent up to now is 46.8 secs Computing kpt #: 166 total cpu time spent up to now is 47.1 secs Computing kpt #: 167 total cpu time spent up to now is 47.3 secs Computing kpt #: 168 total cpu time spent up to now is 47.6 secs Computing kpt #: 169 total cpu time spent up to now is 47.8 secs Computing kpt #: 170 total cpu time spent up to now is 48.1 secs Computing kpt #: 171 total cpu time spent up to now is 48.3 secs Computing kpt #: 172 total cpu time spent up to now is 48.6 secs Computing kpt #: 173 total cpu time spent up to now is 48.8 secs Computing kpt #: 174 total cpu time spent up to now is 49.0 secs Computing kpt #: 175 total cpu time spent up to now is 49.3 secs Computing kpt #: 176 total cpu time spent up to now is 49.5 secs Computing kpt #: 177 total cpu time spent up to now is 49.8 secs Computing kpt #: 178 total cpu time spent up to now is 50.0 secs Computing kpt #: 179 total cpu time spent up to now is 50.2 secs Computing kpt #: 180 total cpu time spent up to now is 50.5 secs Computing kpt #: 181 total cpu time spent up to now is 50.7 secs Computing kpt #: 182 total cpu time spent up to now is 50.9 secs Computing kpt #: 183 total cpu time spent up to now is 51.2 secs Computing kpt #: 184 total cpu time spent up to now is 51.4 secs Computing kpt #: 185 total cpu time spent up to now is 51.7 secs Computing kpt #: 186 total cpu time spent up to now is 51.9 secs Computing kpt #: 187 total cpu time spent up to now is 52.1 secs Computing kpt #: 188 total cpu time spent up to now is 52.4 secs Computing kpt #: 189 total cpu time spent up to now is 52.6 secs Computing kpt #: 190 total cpu time spent up to now is 52.8 secs Computing kpt #: 191 total cpu time spent up to now is 53.1 secs Computing kpt #: 192 total cpu time spent up to now is 53.3 secs Computing kpt #: 193 total cpu time spent up to now is 53.6 secs Computing kpt #: 194 total cpu time spent up to now is 53.8 secs Computing kpt #: 195 total cpu time spent up to now is 54.1 secs Computing kpt #: 196 total cpu time spent up to now is 54.3 secs Computing kpt #: 197 total cpu time spent up to now is 54.6 secs Computing kpt #: 198 total cpu time spent up to now is 54.8 secs Computing kpt #: 199 total cpu time spent up to now is 55.1 secs Computing kpt #: 200 total cpu time spent up to now is 55.3 secs Computing kpt #: 201 total cpu time spent up to now is 55.6 secs Computing kpt #: 202 total cpu time spent up to now is 55.8 secs Computing kpt #: 203 total cpu time spent up to now is 56.1 secs Computing kpt #: 204 total cpu time spent up to now is 56.3 secs Computing kpt #: 205 total cpu time spent up to now is 56.6 secs Computing kpt #: 206 total cpu time spent up to now is 56.8 secs Computing kpt #: 207 total cpu time spent up to now is 57.1 secs Computing kpt #: 208 total cpu time spent up to now is 57.3 secs Computing kpt #: 209 total cpu time spent up to now is 57.6 secs Computing kpt #: 210 total cpu time spent up to now is 57.9 secs Computing kpt #: 211 total cpu time spent up to now is 58.1 secs Computing kpt #: 212 total cpu time spent up to now is 58.4 secs Computing kpt #: 213 total cpu time spent up to now is 58.6 secs Computing kpt #: 214 total cpu time spent up to now is 58.9 secs Computing kpt #: 215 total cpu time spent up to now is 59.1 secs Computing kpt #: 216 total cpu time spent up to now is 59.4 secs Computing kpt #: 217 total cpu time spent up to now is 59.6 secs Computing kpt #: 218 total cpu time spent up to now is 59.9 secs Computing kpt #: 219 total cpu time spent up to now is 60.1 secs Computing kpt #: 220 total cpu time spent up to now is 60.4 secs Computing kpt #: 221 total cpu time spent up to now is 60.6 secs Computing kpt #: 222 total cpu time spent up to now is 60.9 secs Computing kpt #: 223 total cpu time spent up to now is 61.1 secs Computing kpt #: 224 total cpu time spent up to now is 61.4 secs Computing kpt #: 225 total cpu time spent up to now is 61.7 secs Computing kpt #: 226 total cpu time spent up to now is 61.9 secs Computing kpt #: 227 total cpu time spent up to now is 62.2 secs Computing kpt #: 228 total cpu time spent up to now is 62.4 secs Computing kpt #: 229 total cpu time spent up to now is 62.7 secs Computing kpt #: 230 total cpu time spent up to now is 63.0 secs Computing kpt #: 231 total cpu time spent up to now is 63.2 secs Computing kpt #: 232 total cpu time spent up to now is 63.5 secs Computing kpt #: 233 total cpu time spent up to now is 63.8 secs Computing kpt #: 234 total cpu time spent up to now is 64.0 secs Computing kpt #: 235 total cpu time spent up to now is 64.3 secs Computing kpt #: 236 total cpu time spent up to now is 64.5 secs Computing kpt #: 237 total cpu time spent up to now is 64.8 secs Computing kpt #: 238 total cpu time spent up to now is 65.1 secs Computing kpt #: 239 total cpu time spent up to now is 65.4 secs Computing kpt #: 240 total cpu time spent up to now is 65.6 secs Computing kpt #: 241 total cpu time spent up to now is 65.9 secs Computing kpt #: 242 total cpu time spent up to now is 66.2 secs Computing kpt #: 243 total cpu time spent up to now is 66.4 secs Computing kpt #: 244 total cpu time spent up to now is 66.7 secs Computing kpt #: 245 total cpu time spent up to now is 66.9 secs Computing kpt #: 246 total cpu time spent up to now is 67.2 secs Computing kpt #: 247 total cpu time spent up to now is 67.5 secs Computing kpt #: 248 total cpu time spent up to now is 67.7 secs Computing kpt #: 249 total cpu time spent up to now is 68.0 secs Computing kpt #: 250 total cpu time spent up to now is 68.2 secs Computing kpt #: 251 total cpu time spent up to now is 68.5 secs Computing kpt #: 252 total cpu time spent up to now is 68.7 secs Computing kpt #: 253 total cpu time spent up to now is 69.0 secs Computing kpt #: 254 total cpu time spent up to now is 69.3 secs Computing kpt #: 255 total cpu time spent up to now is 69.5 secs Computing kpt #: 256 total cpu time spent up to now is 69.8 secs Computing kpt #: 257 total cpu time spent up to now is 70.0 secs Computing kpt #: 258 total cpu time spent up to now is 70.3 secs Computing kpt #: 259 total cpu time spent up to now is 70.6 secs Computing kpt #: 260 total cpu time spent up to now is 70.8 secs Computing kpt #: 261 total cpu time spent up to now is 71.1 secs Computing kpt #: 262 total cpu time spent up to now is 71.3 secs Computing kpt #: 263 total cpu time spent up to now is 71.6 secs Computing kpt #: 264 total cpu time spent up to now is 71.9 secs Computing kpt #: 265 total cpu time spent up to now is 72.1 secs Computing kpt #: 266 total cpu time spent up to now is 72.4 secs Computing kpt #: 267 total cpu time spent up to now is 72.7 secs Computing kpt #: 268 total cpu time spent up to now is 72.9 secs Computing kpt #: 269 total cpu time spent up to now is 73.2 secs Computing kpt #: 270 total cpu time spent up to now is 73.5 secs Computing kpt #: 271 total cpu time spent up to now is 73.8 secs Computing kpt #: 272 total cpu time spent up to now is 74.0 secs Computing kpt #: 273 total cpu time spent up to now is 74.3 secs Computing kpt #: 274 total cpu time spent up to now is 74.6 secs Computing kpt #: 275 total cpu time spent up to now is 74.9 secs Computing kpt #: 276 total cpu time spent up to now is 75.2 secs Computing kpt #: 277 total cpu time spent up to now is 75.5 secs Computing kpt #: 278 total cpu time spent up to now is 75.8 secs Computing kpt #: 279 total cpu time spent up to now is 76.1 secs Computing kpt #: 280 total cpu time spent up to now is 76.4 secs Computing kpt #: 281 total cpu time spent up to now is 76.7 secs Computing kpt #: 282 total cpu time spent up to now is 76.9 secs Computing kpt #: 283 total cpu time spent up to now is 77.7 secs Computing kpt #: 284 total cpu time spent up to now is 78.0 secs Computing kpt #: 285 total cpu time spent up to now is 78.3 secs Computing kpt #: 286 total cpu time spent up to now is 78.6 secs Computing kpt #: 287 total cpu time spent up to now is 78.9 secs Computing kpt #: 288 total cpu time spent up to now is 79.2 secs Computing kpt #: 289 total cpu time spent up to now is 79.6 secs Computing kpt #: 290 total cpu time spent up to now is 79.9 secs Computing kpt #: 291 total cpu time spent up to now is 80.3 secs Computing kpt #: 292 total cpu time spent up to now is 80.6 secs Computing kpt #: 293 total cpu time spent up to now is 80.9 secs Computing kpt #: 294 total cpu time spent up to now is 81.2 secs Computing kpt #: 295 total cpu time spent up to now is 81.5 secs Computing kpt #: 296 total cpu time spent up to now is 81.8 secs Computing kpt #: 297 total cpu time spent up to now is 82.1 secs Computing kpt #: 298 total cpu time spent up to now is 82.4 secs Computing kpt #: 299 total cpu time spent up to now is 82.7 secs Computing kpt #: 300 total cpu time spent up to now is 82.9 secs Computing kpt #: 301 total cpu time spent up to now is 83.2 secs Computing kpt #: 302 total cpu time spent up to now is 83.5 secs Computing kpt #: 303 total cpu time spent up to now is 83.8 secs Computing kpt #: 304 total cpu time spent up to now is 84.1 secs Computing kpt #: 305 total cpu time spent up to now is 84.4 secs Computing kpt #: 306 total cpu time spent up to now is 84.7 secs Computing kpt #: 307 total cpu time spent up to now is 85.0 secs Computing kpt #: 308 total cpu time spent up to now is 85.2 secs Computing kpt #: 309 total cpu time spent up to now is 85.5 secs Computing kpt #: 310 total cpu time spent up to now is 85.8 secs Computing kpt #: 311 total cpu time spent up to now is 86.1 secs Computing kpt #: 312 total cpu time spent up to now is 86.4 secs Computing kpt #: 313 total cpu time spent up to now is 86.7 secs Computing kpt #: 314 total cpu time spent up to now is 86.9 secs Computing kpt #: 315 total cpu time spent up to now is 87.2 secs Computing kpt #: 316 total cpu time spent up to now is 87.5 secs Computing kpt #: 317 total cpu time spent up to now is 87.7 secs Computing kpt #: 318 total cpu time spent up to now is 88.0 secs Computing kpt #: 319 total cpu time spent up to now is 88.3 secs Computing kpt #: 320 total cpu time spent up to now is 88.5 secs Computing kpt #: 321 total cpu time spent up to now is 88.8 secs Computing kpt #: 322 total cpu time spent up to now is 89.0 secs Computing kpt #: 323 total cpu time spent up to now is 89.3 secs Computing kpt #: 324 total cpu time spent up to now is 89.5 secs Computing kpt #: 325 total cpu time spent up to now is 89.8 secs Computing kpt #: 326 total cpu time spent up to now is 90.1 secs Computing kpt #: 327 total cpu time spent up to now is 90.3 secs Computing kpt #: 328 total cpu time spent up to now is 90.6 secs Computing kpt #: 329 total cpu time spent up to now is 90.8 secs Computing kpt #: 330 total cpu time spent up to now is 91.1 secs Computing kpt #: 331 total cpu time spent up to now is 91.3 secs Computing kpt #: 332 total cpu time spent up to now is 91.6 secs Computing kpt #: 333 total cpu time spent up to now is 91.8 secs Computing kpt #: 334 total cpu time spent up to now is 92.1 secs Computing kpt #: 335 total cpu time spent up to now is 92.3 secs Computing kpt #: 336 total cpu time spent up to now is 92.6 secs Computing kpt #: 337 total cpu time spent up to now is 92.8 secs Computing kpt #: 338 total cpu time spent up to now is 93.1 secs Computing kpt #: 339 total cpu time spent up to now is 93.3 secs Computing kpt #: 340 total cpu time spent up to now is 93.6 secs Computing kpt #: 341 total cpu time spent up to now is 93.8 secs Computing kpt #: 342 total cpu time spent up to now is 94.1 secs Computing kpt #: 343 total cpu time spent up to now is 94.3 secs Computing kpt #: 344 total cpu time spent up to now is 94.6 secs Computing kpt #: 345 total cpu time spent up to now is 94.9 secs Computing kpt #: 346 total cpu time spent up to now is 95.1 secs Computing kpt #: 347 total cpu time spent up to now is 95.4 secs Computing kpt #: 348 total cpu time spent up to now is 95.6 secs Computing kpt #: 349 total cpu time spent up to now is 95.9 secs Computing kpt #: 350 total cpu time spent up to now is 96.2 secs Computing kpt #: 351 total cpu time spent up to now is 96.4 secs Computing kpt #: 352 total cpu time spent up to now is 96.7 secs Computing kpt #: 353 total cpu time spent up to now is 97.0 secs Computing kpt #: 354 total cpu time spent up to now is 97.2 secs Computing kpt #: 355 total cpu time spent up to now is 97.5 secs Computing kpt #: 356 total cpu time spent up to now is 97.7 secs Computing kpt #: 357 total cpu time spent up to now is 98.0 secs Computing kpt #: 358 total cpu time spent up to now is 98.3 secs Computing kpt #: 359 total cpu time spent up to now is 98.5 secs Computing kpt #: 360 total cpu time spent up to now is 98.8 secs Computing kpt #: 361 total cpu time spent up to now is 99.1 secs Computing kpt #: 362 total cpu time spent up to now is 99.3 secs Computing kpt #: 363 total cpu time spent up to now is 99.6 secs Computing kpt #: 364 total cpu time spent up to now is 99.9 secs Computing kpt #: 365 total cpu time spent up to now is 100.2 secs Computing kpt #: 366 total cpu time spent up to now is 100.5 secs Computing kpt #: 367 total cpu time spent up to now is 100.8 secs Computing kpt #: 368 total cpu time spent up to now is 101.0 secs Computing kpt #: 369 total cpu time spent up to now is 101.3 secs Computing kpt #: 370 total cpu time spent up to now is 101.6 secs Computing kpt #: 371 total cpu time spent up to now is 101.9 secs Computing kpt #: 372 total cpu time spent up to now is 102.2 secs Computing kpt #: 373 total cpu time spent up to now is 102.4 secs Computing kpt #: 374 total cpu time spent up to now is 102.7 secs Computing kpt #: 375 total cpu time spent up to now is 103.0 secs ethr = 3.85E-08, avg # of iterations = 11.9 total cpu time spent up to now is 103.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2157 PWs) bands (ev): -50.4665 -50.4665 -26.2155 -26.2155 -23.7533 -23.7533 -23.6825 -23.6825 -3.9081 -3.9081 -2.2732 -2.2732 4.2180 4.2180 7.0579 7.0579 7.0891 7.0891 9.5115 9.5115 10.0422 10.0422 10.2619 10.2619 10.2813 10.2813 10.9901 10.9901 11.0810 11.0810 14.6548 14.6548 14.6808 14.6808 k = 0.0086-0.0157-0.0095 ( 2161 PWs) bands (ev): -50.4665 -50.4665 -26.2156 -26.2156 -23.7534 -23.7534 -23.6827 -23.6827 -3.9069 -3.9069 -2.2730 -2.2730 4.2196 4.2196 7.0565 7.0565 7.0879 7.0879 9.5132 9.5132 10.0413 10.0413 10.2538 10.2538 10.2746 10.2746 10.9961 10.9961 11.0861 11.0861 14.6518 14.6518 14.6780 14.6780 k = 0.0172-0.0314-0.0189 ( 2161 PWs) bands (ev): -50.4665 -50.4665 -26.2158 -26.2158 -23.7534 -23.7534 -23.6833 -23.6833 -3.9032 -3.9032 -2.2724 -2.2724 4.2244 4.2244 7.0507 7.0507 7.0858 7.0858 9.5183 9.5183 10.0379 10.0379 10.2303 10.2303 10.2559 10.2559 11.0129 11.0129 11.1013 11.1013 14.6412 14.6412 14.6711 14.6711 k = 0.0259-0.0471-0.0284 ( 2161 PWs) bands (ev): -50.4663 -50.4663 -26.2163 -26.2163 -23.7536 -23.7536 -23.6843 -23.6843 -3.8970 -3.8970 -2.2714 -2.2714 4.2325 4.2325 7.0380 7.0380 7.0857 7.0857 9.5262 9.5262 10.0297 10.0297 10.1942 10.1942 10.2285 10.2285 11.0376 11.0376 11.1260 11.1260 14.6209 14.6209 14.6631 14.6631 k = 0.0345-0.0628-0.0379 ( 2161 PWs) bands (ev): -50.4661 -50.4661 -26.2168 -26.2168 -23.7537 -23.7537 -23.6857 -23.6857 -3.8883 -3.8883 -2.2701 -2.2701 4.2437 4.2437 7.0177 7.0177 7.0885 7.0885 9.5365 9.5365 10.0117 10.0117 10.1500 10.1500 10.1977 10.1977 11.0665 11.0665 11.1597 11.1597 14.5910 14.5910 14.6548 14.6548 k = 0.0431-0.0785-0.0473 ( 2151 PWs) bands (ev): -50.4657 -50.4657 -26.2175 -26.2175 -23.7540 -23.7540 -23.6874 -23.6874 -3.8772 -3.8772 -2.2683 -2.2683 4.2580 4.2580 6.9908 6.9908 7.0937 7.0937 9.5482 9.5482 9.9758 9.9758 10.1026 10.1026 10.1710 10.1710 11.0966 11.0966 11.2013 11.2013 14.5535 14.5535 14.6455 14.6455 k = 0.0517-0.0942-0.0568 ( 2151 PWs) bands (ev): -50.4654 -50.4654 -26.2185 -26.2185 -23.7543 -23.7543 -23.6895 -23.6895 -3.8636 -3.8636 -2.2662 -2.2662 4.2755 4.2755 6.9583 6.9583 7.1007 7.1007 9.5601 9.5601 9.9184 9.9184 10.0536 10.0536 10.1547 10.1547 11.1264 11.1264 11.2491 11.2491 14.5098 14.5098 14.6352 14.6352 k = 0.0603-0.1099-0.0663 ( 2150 PWs) bands (ev): -50.4650 -50.4650 -26.2195 -26.2195 -23.7547 -23.7547 -23.6919 -23.6919 -3.8476 -3.8476 -2.2636 -2.2636 4.2961 4.2961 6.9211 6.9211 7.1091 7.1091 9.5701 9.5701 9.8447 9.8447 10.0020 10.0020 10.1487 10.1487 11.1555 11.1555 11.3013 11.3013 14.4617 14.4617 14.6238 14.6238 k = 0.0690-0.1256-0.0757 ( 2154 PWs) bands (ev): -50.4646 -50.4646 -26.2208 -26.2208 -23.7552 -23.7552 -23.6946 -23.6946 -3.8293 -3.8293 -2.2607 -2.2607 4.3196 4.3196 6.8800 6.8800 7.1189 7.1189 9.5733 9.5733 9.7644 9.7644 9.9483 9.9483 10.1493 10.1493 11.1836 11.1836 11.3563 11.3563 14.4106 14.4106 14.6113 14.6113 k = 0.0776-0.1413-0.0852 ( 2154 PWs) bands (ev): -50.4641 -50.4641 -26.2222 -26.2222 -23.7558 -23.7558 -23.6977 -23.6977 -3.8085 -3.8085 -2.2574 -2.2574 4.3461 4.3461 6.8357 6.8357 7.1297 7.1297 9.5541 9.5541 9.6953 9.6953 9.8937 9.8937 10.1536 10.1536 11.2110 11.2110 11.4127 11.4127 14.3580 14.3580 14.5981 14.5981 k = 0.0862-0.1570-0.0946 ( 2154 PWs) bands (ev): -50.4636 -50.4636 -26.2237 -26.2237 -23.7566 -23.7566 -23.7009 -23.7009 -3.7855 -3.7855 -2.2537 -2.2537 4.3755 4.3755 6.7887 6.7887 7.1415 7.1415 9.4880 9.4880 9.6631 9.6631 9.8398 9.8398 10.1597 10.1597 11.2376 11.2376 11.4697 11.4697 14.3051 14.3051 14.5842 14.5842 k = 0.0948-0.1727-0.1041 ( 2151 PWs) bands (ev): -50.4630 -50.4630 -26.2254 -26.2254 -23.7576 -23.7576 -23.7043 -23.7043 -3.7602 -3.7602 -2.2496 -2.2496 4.4076 4.4076 6.7397 6.7397 7.1541 7.1541 9.3880 9.3880 9.6541 9.6541 9.7885 9.7885 10.1662 10.1662 11.2639 11.2639 11.5264 11.5264 14.2533 14.2533 14.5700 14.5700 k = 0.1034-0.1885-0.1136 ( 2151 PWs) bands (ev): -50.4623 -50.4623 -26.2273 -26.2273 -23.7588 -23.7588 -23.7078 -23.7078 -3.7326 -3.7326 -2.2451 -2.2451 4.4423 4.4423 6.6894 6.6894 7.1674 7.1674 9.2738 9.2738 9.6454 9.6454 9.7443 9.7443 10.1721 10.1721 11.2899 11.2899 11.5824 11.5824 14.2037 14.2037 14.5558 14.5558 k = 0.1121-0.2042-0.1230 ( 2153 PWs) bands (ev): -50.4617 -50.4617 -26.2292 -26.2292 -23.7603 -23.7603 -23.7115 -23.7115 -3.7028 -3.7028 -2.2402 -2.2402 4.4796 4.4796 6.6383 6.6383 7.1811 7.1811 9.1519 9.1519 9.6237 9.6237 9.7148 9.7148 10.1763 10.1763 11.3159 11.3159 11.6371 11.6371 14.1576 14.1576 14.5417 14.5417 k = 0.1207-0.2199-0.1325 ( 2151 PWs) bands (ev): -50.4609 -50.4609 -26.2314 -26.2314 -23.7621 -23.7621 -23.7150 -23.7150 -3.6709 -3.6709 -2.2349 -2.2349 4.5193 4.5193 6.5869 6.5869 7.1951 7.1951 9.0248 9.0248 9.5867 9.5867 9.7011 9.7011 10.1778 10.1778 11.3422 11.3422 11.6902 11.6902 14.1160 14.1160 14.5280 14.5280 k = 0.1293-0.2356-0.1420 ( 2153 PWs) bands (ev): -50.4602 -50.4602 -26.2336 -26.2336 -23.7643 -23.7643 -23.7185 -23.7185 -3.6369 -3.6369 -2.2293 -2.2293 4.5611 4.5611 6.5357 6.5357 7.2092 7.2092 8.8937 8.8937 9.5429 9.5429 9.6940 9.6940 10.1757 10.1757 11.3692 11.3692 11.7413 11.7413 14.0797 14.0797 14.5151 14.5151 k = 0.1379-0.2513-0.1514 ( 2151 PWs) bands (ev): -50.4593 -50.4593 -26.2360 -26.2360 -23.7671 -23.7671 -23.7217 -23.7217 -3.6009 -3.6009 -2.2232 -2.2232 4.6050 4.6050 6.4852 6.4852 7.2231 7.2231 8.7593 8.7593 9.4979 9.4979 9.6879 9.6879 10.1692 10.1692 11.3972 11.3972 11.7902 11.7902 14.0495 14.0495 14.5030 14.5030 k = 0.1466-0.2670-0.1609 ( 2155 PWs) bands (ev): -50.4585 -50.4585 -26.2385 -26.2385 -23.7704 -23.7704 -23.7246 -23.7246 -3.5630 -3.5630 -2.2167 -2.2167 4.6505 4.6505 6.4360 6.4360 7.2367 7.2367 8.6223 8.6223 9.4542 9.4542 9.6807 9.6807 10.1576 10.1576 11.4263 11.4263 11.8366 11.8366 14.0262 14.0262 14.4920 14.4920 k = 0.1552-0.2827-0.1704 ( 2150 PWs) bands (ev): -50.4576 -50.4576 -26.2411 -26.2411 -23.7743 -23.7743 -23.7271 -23.7271 -3.5232 -3.5232 -2.2098 -2.2098 4.6976 4.6976 6.3885 6.3885 7.2496 7.2496 8.4832 8.4832 9.4127 9.4127 9.6714 9.6714 10.1404 10.1404 11.4570 11.4570 11.8805 11.8805 14.0101 14.0101 14.4823 14.4823 k = 0.1638-0.2984-0.1798 ( 2151 PWs) bands (ev): -50.4567 -50.4567 -26.2439 -26.2439 -23.7788 -23.7788 -23.7293 -23.7293 -3.4816 -3.4816 -2.2024 -2.2024 4.7457 4.7457 6.3431 6.3431 7.2617 7.2617 8.3424 8.3424 9.3740 9.3740 9.6595 9.6595 10.1174 10.1174 11.4895 11.4895 11.9215 11.9215 14.0015 14.0015 14.4741 14.4741 k = 0.1724-0.3141-0.1893 ( 2151 PWs) bands (ev): -50.4557 -50.4557 -26.2467 -26.2467 -23.7838 -23.7838 -23.7312 -23.7312 -3.4383 -3.4383 -2.1946 -2.1946 4.7946 4.7946 6.3005 6.3005 7.2727 7.2727 8.2004 8.2004 9.3385 9.3385 9.6445 9.6445 10.0888 10.0888 11.5240 11.5240 11.9597 11.9597 14.0006 14.0006 14.4675 14.4675 k = 0.1810-0.3298-0.1988 ( 2149 PWs) bands (ev): -50.4547 -50.4547 -26.2496 -26.2496 -23.7893 -23.7893 -23.7327 -23.7327 -3.3935 -3.3935 -2.1864 -2.1864 4.8438 4.8438 6.2611 6.2611 7.2823 7.2823 8.0576 8.0576 9.3066 9.3066 9.6262 9.6262 10.0548 10.0548 11.5606 11.5606 11.9951 11.9951 14.0073 14.0073 14.4625 14.4625 k = 0.1897-0.3455-0.2082 ( 2145 PWs) bands (ev): -50.4536 -50.4536 -26.2526 -26.2526 -23.7953 -23.7953 -23.7339 -23.7339 -3.3472 -3.3472 -2.1776 -2.1776 4.8927 4.8927 6.2254 6.2254 7.2904 7.2904 7.9142 7.9142 9.2785 9.2785 9.6039 9.6039 10.0163 10.0163 11.5994 11.5994 12.0274 12.0274 14.0212 14.0212 14.4592 14.4592 k = 0.1983-0.3612-0.2177 ( 2146 PWs) bands (ev): -50.4526 -50.4526 -26.2557 -26.2557 -23.8016 -23.8016 -23.7349 -23.7349 -3.2995 -3.2995 -2.1684 -2.1684 4.9408 4.9408 6.1942 6.1942 7.2966 7.2966 7.7708 7.7708 9.2544 9.2544 9.5768 9.5768 9.9745 9.9745 11.6405 11.6405 12.0569 12.0569 14.0421 14.0421 14.4577 14.4577 k = 0.2069-0.3769-0.2271 ( 2146 PWs) bands (ev): -50.4516 -50.4516 -26.2589 -26.2589 -23.8082 -23.8082 -23.7357 -23.7357 -3.2506 -3.2506 -2.1585 -2.1585 4.9872 4.9872 6.1679 6.1679 7.3009 7.3009 7.6277 7.6277 9.2343 9.2343 9.5442 9.5442 9.9309 9.9309 11.6839 11.6839 12.0836 12.0836 14.0695 14.0695 14.4579 14.4579 k = 0.2155-0.3926-0.2366 ( 2146 PWs) bands (ev): -50.4505 -50.4505 -26.2621 -26.2621 -23.8151 -23.8151 -23.7363 -23.7363 -3.2007 -3.2007 -2.1480 -2.1480 5.0314 5.0314 6.1473 6.1473 7.3028 7.3028 7.4854 7.4854 9.2183 9.2183 9.5050 9.5050 9.8872 9.8872 11.7294 11.7294 12.1076 12.1076 14.1028 14.1028 14.4598 14.4598 k = 0.2241-0.4083-0.2461 ( 2149 PWs) bands (ev): -50.4495 -50.4495 -26.2655 -26.2655 -23.8222 -23.8222 -23.7368 -23.7368 -3.1499 -3.1499 -2.1369 -2.1369 5.0724 5.0724 6.1328 6.1328 7.2997 7.2997 7.3472 7.3472 9.2063 9.2063 9.4586 9.4586 9.8450 9.8450 11.7771 11.7771 12.1291 12.1291 14.1414 14.1414 14.4633 14.4633 k = 0.2328-0.4240-0.2555 ( 2147 PWs) bands (ev): -50.4484 -50.4484 -26.2688 -26.2688 -23.8294 -23.8294 -23.7372 -23.7372 -3.0984 -3.0984 -2.1250 -2.1250 5.1095 5.1095 6.1248 6.1248 7.2009 7.2009 7.3040 7.3040 9.1980 9.1980 9.4049 9.4049 9.8055 9.8055 11.8268 11.8268 12.1483 12.1483 14.1846 14.1846 14.4683 14.4683 k = 0.2414-0.4397-0.2650 ( 2141 PWs) bands (ev): -50.4472 -50.4472 -26.2721 -26.2721 -23.8366 -23.8366 -23.7375 -23.7375 -3.0464 -3.0464 -2.1123 -2.1123 5.1421 5.1421 6.1235 6.1235 7.0642 7.0642 7.2987 7.2987 9.1924 9.1924 9.3448 9.3448 9.7695 9.7695 11.8782 11.8782 12.1654 12.1654 14.2318 14.2318 14.4747 14.4747 k = 0.2500-0.4554-0.2745 ( 2141 PWs) bands (ev): -50.4461 -50.4461 -26.2755 -26.2755 -23.8439 -23.8439 -23.7377 -23.7377 -2.9941 -2.9941 -2.0987 -2.0987 5.1696 5.1696 6.1282 6.1282 6.9299 6.9299 7.2921 7.2921 9.1859 9.1859 9.2826 9.2826 9.7370 9.7370 11.9311 11.9311 12.1807 12.1807 14.2824 14.2824 14.4823 14.4823 k = 0.2586-0.4711-0.2839 ( 2138 PWs) bands (ev): -50.4450 -50.4450 -26.2789 -26.2789 -23.8513 -23.8513 -23.7378 -23.7378 -2.9419 -2.9419 -2.0839 -2.0839 5.1921 5.1921 6.1375 6.1375 6.8004 6.8004 7.2837 7.2837 9.1610 9.1610 9.2370 9.2370 9.7077 9.7077 11.9851 11.9851 12.1946 12.1946 14.3356 14.3356 14.4910 14.4910 k = 0.2672-0.4868-0.2934 ( 2134 PWs) bands (ev): -50.4438 -50.4438 -26.2823 -26.2823 -23.8587 -23.8587 -23.7379 -23.7379 -2.8899 -2.8899 -2.0680 -2.0680 5.2095 5.2095 6.1481 6.1481 6.6788 6.6788 7.2734 7.2734 9.0987 9.0987 9.2280 9.2280 9.6811 9.6811 12.0397 12.0397 12.2079 12.2079 14.3908 14.3908 14.5008 14.5008 k = 0.2759-0.5025-0.3029 ( 2136 PWs) bands (ev): -50.4427 -50.4427 -26.2857 -26.2857 -23.8660 -23.8660 -23.7380 -23.7380 -2.8386 -2.8386 -2.0507 -2.0507 5.2222 5.2222 6.1529 6.1529 6.5718 6.5718 7.2614 7.2614 9.0211 9.0211 9.2347 9.2347 9.6567 9.6567 12.0936 12.0936 12.2218 12.2218 14.4471 14.4471 14.5119 14.5119 k = 0.2845-0.5182-0.3123 ( 2139 PWs) bands (ev): -50.4417 -50.4417 -26.2892 -26.2892 -23.8733 -23.8733 -23.7381 -23.7381 -2.7882 -2.7882 -2.0318 -2.0318 5.2307 5.2307 6.1384 6.1384 6.4920 6.4920 7.2480 7.2480 8.9390 8.9390 9.2471 9.2471 9.6341 9.6341 12.1437 12.1437 12.2393 12.2393 14.5005 14.5005 14.5274 14.5274 k = 0.2931-0.5339-0.3218 ( 2139 PWs) bands (ev): -50.4407 -50.4407 -26.2925 -26.2925 -23.8805 -23.8805 -23.7380 -23.7380 -2.7392 -2.7392 -2.0112 -2.0112 5.2356 5.2356 6.0895 6.0895 6.4538 6.4538 7.2332 7.2332 8.8556 8.8556 9.2631 9.2631 9.6130 9.6130 12.1832 12.1832 12.2674 12.2674 14.5277 14.5277 14.5703 14.5703 k = 0.3017-0.5496-0.3313 ( 2143 PWs) bands (ev): -50.4397 -50.4397 -26.2959 -26.2959 -23.8875 -23.8875 -23.7380 -23.7380 -2.6918 -2.6918 -1.9887 -1.9887 5.2371 5.2371 6.0090 6.0090 6.4535 6.4535 7.2173 7.2173 8.7728 8.7728 9.2817 9.2817 9.5932 9.5932 12.2070 12.2070 12.3111 12.3111 14.5409 14.5409 14.6276 14.6276 k = 0.3103-0.5654-0.3407 ( 2150 PWs) bands (ev): -50.4387 -50.4387 -26.2992 -26.2992 -23.8945 -23.8945 -23.7380 -23.7380 -2.6466 -2.6466 -1.9640 -1.9640 5.2352 5.2352 5.9129 5.9129 6.4748 6.4748 7.2006 7.2006 8.6919 8.6919 9.3023 9.3023 9.5745 9.5745 12.2207 12.2207 12.3647 12.3647 14.5529 14.5529 14.6860 14.6860 k = 0.3190-0.5811-0.3502 ( 2148 PWs) bands (ev): -50.4377 -50.4377 -26.3025 -26.3025 -23.9013 -23.9013 -23.7379 -23.7379 -2.6037 -2.6037 -1.9370 -1.9370 5.2293 5.2293 5.8133 5.8133 6.5055 6.5055 7.1833 7.1833 8.6142 8.6142 9.3245 9.3245 9.5567 9.5567 12.2302 12.2302 12.4225 12.4225 14.5646 14.5646 14.7442 14.7442 k = 0.3276-0.5968-0.3596 ( 2152 PWs) bands (ev): -50.4368 -50.4368 -26.3057 -26.3057 -23.9079 -23.9079 -23.7379 -23.7379 -2.5636 -2.5636 -1.9076 -1.9076 5.2177 5.2177 5.7178 5.7178 6.5389 6.5389 7.1656 7.1656 8.5410 8.5410 9.3479 9.3479 9.5399 9.5399 12.2377 12.2377 12.4818 12.4818 14.5760 14.5760 14.8017 14.8017 k = 0.3362-0.6125-0.3691 ( 2157 PWs) bands (ev): -50.4359 -50.4359 -26.3088 -26.3088 -23.9143 -23.9143 -23.7378 -23.7378 -2.5265 -2.5265 -1.8758 -1.8758 5.1975 5.1975 5.6322 5.6322 6.5711 6.5711 7.1476 7.1476 8.4738 8.4738 9.3720 9.3720 9.5239 9.5239 12.2443 12.2443 12.5416 12.5416 14.5872 14.5872 14.8580 14.8580 k = 0.3448-0.6282-0.3786 ( 2159 PWs) bands (ev): -50.4350 -50.4350 -26.3118 -26.3118 -23.9205 -23.9205 -23.7377 -23.7377 -2.4925 -2.4925 -1.8418 -1.8418 5.1644 5.1644 5.5628 5.5628 6.5994 6.5994 7.1296 7.1296 8.4137 8.4137 9.3965 9.3965 9.5087 9.5087 12.2505 12.2505 12.6012 12.6012 14.5980 14.5980 14.9130 14.9130 k = 0.3534-0.6439-0.3880 ( 2160 PWs) bands (ev): -50.4341 -50.4341 -26.3147 -26.3147 -23.9265 -23.9265 -23.7375 -23.7375 -2.4617 -2.4617 -1.8057 -1.8057 5.1152 5.1152 5.5139 5.5139 6.6215 6.6215 7.1117 7.1117 8.3621 8.3621 9.4210 9.4210 9.4944 9.4944 12.2564 12.2564 12.6602 12.6602 14.6084 14.6084 14.9663 14.9663 k = 0.3621-0.6596-0.3975 ( 2160 PWs) bands (ev): -50.4333 -50.4333 -26.3176 -26.3176 -23.9321 -23.9321 -23.7374 -23.7374 -2.4340 -2.4340 -1.7678 -1.7678 5.0508 5.0508 5.4854 5.4854 6.6358 6.6358 7.0941 7.0941 8.3199 8.3199 9.4445 9.4445 9.4817 9.4817 12.2623 12.2623 12.7183 12.7183 14.6183 14.6183 15.0178 15.0178 k = 0.3707-0.6753-0.4070 ( 2164 PWs) bands (ev): -50.4325 -50.4325 -26.3203 -26.3203 -23.9376 -23.9376 -23.7373 -23.7373 -2.4092 -2.4092 -1.7285 -1.7285 4.9760 4.9760 5.4735 5.4735 6.6411 6.6411 7.0770 7.0770 8.2878 8.2878 9.4591 9.4591 9.4782 9.4782 12.2682 12.2682 12.7749 12.7749 14.6277 14.6277 15.0672 15.0672 k = 0.3793-0.6910-0.4164 ( 2162 PWs) bands (ev): -50.4317 -50.4317 -26.3228 -26.3228 -23.9427 -23.9427 -23.7371 -23.7371 -2.3873 -2.3873 -1.6884 -1.6884 4.8959 4.8959 5.4734 5.4734 6.6365 6.6365 7.0604 7.0604 8.2662 8.2662 9.4515 9.4515 9.4970 9.4970 12.2741 12.2741 12.8299 12.8299 14.6366 14.6366 15.1144 15.1144 k = 0.3879-0.7067-0.4259 ( 2157 PWs) bands (ev): -50.4309 -50.4309 -26.3252 -26.3252 -23.9475 -23.9475 -23.7370 -23.7370 -2.3680 -2.3680 -1.6479 -1.6479 4.8146 4.8146 5.4818 5.4818 6.6220 6.6220 7.0445 7.0445 8.2548 8.2548 9.4404 9.4404 9.5190 9.5190 12.2801 12.2801 12.8828 12.8828 14.6449 14.6449 15.1592 15.1592 k = 0.3966-0.7224-0.4354 ( 2153 PWs) bands (ev): -50.4302 -50.4302 -26.3275 -26.3275 -23.9520 -23.9520 -23.7369 -23.7369 -2.3510 -2.3510 -1.6077 -1.6077 4.7344 4.7344 5.4967 5.4967 6.5981 6.5981 7.0294 7.0294 8.2526 8.2526 9.4295 9.4295 9.5405 9.5405 12.2861 12.2861 12.9334 12.9334 14.6527 14.6527 15.2015 15.2015 k = 0.4052-0.7381-0.4448 ( 2151 PWs) bands (ev): -50.4295 -50.4295 -26.3296 -26.3296 -23.9562 -23.9562 -23.7367 -23.7367 -2.3361 -2.3361 -1.5682 -1.5682 4.6572 4.6572 5.5168 5.5168 6.5655 6.5655 7.0152 7.0152 8.2585 8.2585 9.4191 9.4191 9.5609 9.5609 12.2921 12.2921 12.9813 12.9813 14.6598 14.6598 15.2412 15.2412 k = 0.4138-0.7538-0.4543 ( 2148 PWs) bands (ev): -50.4288 -50.4288 -26.3316 -26.3316 -23.9601 -23.9601 -23.7366 -23.7366 -2.3231 -2.3231 -1.5300 -1.5300 4.5841 4.5841 5.5413 5.5413 6.5255 6.5255 7.0020 7.0020 8.2709 8.2709 9.4093 9.4093 9.5801 9.5801 12.2981 12.2981 13.0261 13.0261 14.6663 14.6663 15.2780 15.2780 k = 0.4224-0.7695-0.4638 ( 2144 PWs) bands (ev): -50.4282 -50.4282 -26.3333 -26.3333 -23.9636 -23.9636 -23.7365 -23.7365 -2.3119 -2.3119 -1.4936 -1.4936 4.5159 4.5159 5.5698 5.5698 6.4794 6.4794 6.9898 6.9898 8.2880 8.2880 9.4001 9.4001 9.5977 9.5977 12.3038 12.3038 13.0677 13.0677 14.6722 14.6722 15.3120 15.3120 k = 0.4310-0.7852-0.4732 ( 2148 PWs) bands (ev): -50.4278 -50.4278 -26.3350 -26.3350 -23.9669 -23.9669 -23.7364 -23.7364 -2.3023 -2.3023 -1.4596 -1.4596 4.4532 4.4532 5.6020 5.6020 6.4285 6.4285 6.9787 6.9787 8.3082 8.3082 9.3917 9.3917 9.6138 9.6138 12.3093 12.3093 13.1057 13.1057 14.6775 14.6775 15.3430 15.3430 k = 0.4397-0.8009-0.4827 ( 2146 PWs) bands (ev): -50.4273 -50.4273 -26.3364 -26.3364 -23.9697 -23.9697 -23.7363 -23.7363 -2.2940 -2.2940 -1.4283 -1.4283 4.3967 4.3967 5.6376 5.6376 6.3740 6.3740 6.9688 6.9688 8.3299 8.3299 9.3841 9.3841 9.6282 9.6282 12.3145 12.3145 13.1398 13.1398 14.6821 14.6821 15.3709 15.3709 k = 0.4483-0.8166-0.4922 ( 2149 PWs) bands (ev): -50.4270 -50.4270 -26.3377 -26.3377 -23.9722 -23.9722 -23.7362 -23.7362 -2.2871 -2.2871 -1.4003 -1.4003 4.3468 4.3468 5.6765 5.6765 6.3171 6.3171 6.9601 6.9601 8.3517 8.3517 9.3773 9.3773 9.6408 9.6408 12.3192 12.3192 13.1698 13.1698 14.6862 14.6862 15.3954 15.3954 k = 0.4569-0.8323-0.5016 ( 2149 PWs) bands (ev): -50.4267 -50.4267 -26.3388 -26.3388 -23.9743 -23.9743 -23.7361 -23.7361 -2.2814 -2.2814 -1.3758 -1.3758 4.3038 4.3038 5.7183 5.7183 6.2586 6.2586 6.9527 6.9527 8.3722 8.3722 9.3713 9.3713 9.6515 9.6515 12.3233 12.3233 13.1956 13.1956 14.6895 14.6895 15.4166 15.4166 k = 0.4655-0.8480-0.5111 ( 2151 PWs) bands (ev): -50.4265 -50.4265 -26.3397 -26.3397 -23.9760 -23.9760 -23.7361 -23.7361 -2.2768 -2.2768 -1.3554 -1.3554 4.2682 4.2682 5.7631 5.7631 6.1995 6.1995 6.9466 6.9466 8.3905 8.3905 9.3663 9.3663 9.6604 9.6604 12.3269 12.3269 13.2169 13.2169 14.6923 14.6923 15.4341 15.4341 k = 0.4741-0.8637-0.5205 ( 2158 PWs) bands (ev): -50.4264 -50.4264 -26.3405 -26.3405 -23.9774 -23.9774 -23.7360 -23.7360 -2.2733 -2.2733 -1.3391 -1.3391 4.2402 4.2402 5.8106 5.8106 6.1404 6.1404 6.9418 6.9418 8.4056 8.4056 9.3624 9.3624 9.6673 9.6673 12.3297 12.3297 13.2337 13.2337 14.6945 14.6945 15.4480 15.4480 k = 0.4828-0.8794-0.5300 ( 2158 PWs) bands (ev): -50.4262 -50.4262 -26.3410 -26.3410 -23.9784 -23.9784 -23.7360 -23.7360 -2.2709 -2.2709 -1.3273 -1.3273 4.2201 4.2201 5.8605 5.8605 6.0819 6.0819 6.9384 6.9384 8.4169 8.4169 9.3595 9.3595 9.6723 9.6723 12.3318 12.3318 13.2457 13.2457 14.6960 14.6960 15.4580 15.4580 k = 0.4914-0.8951-0.5395 ( 2160 PWs) bands (ev): -50.4261 -50.4261 -26.3413 -26.3413 -23.9790 -23.9790 -23.7360 -23.7360 -2.2694 -2.2694 -1.3202 -1.3202 4.2079 4.2079 5.9124 5.9124 6.0247 6.0247 6.9363 6.9363 8.4238 8.4238 9.3577 9.3577 9.6753 9.6753 12.3331 12.3331 13.2529 13.2529 14.6969 14.6969 15.4640 15.4640 k = 0.5000-0.9108-0.5489 ( 2158 PWs) bands (ev): -50.4261 -50.4261 -26.3414 -26.3414 -23.9791 -23.9791 -23.7360 -23.7360 -2.2689 -2.2689 -1.3178 -1.3178 4.2039 4.2039 5.9580 5.9580 5.9773 5.9773 6.9356 6.9356 8.4262 8.4262 9.3571 9.3571 9.6763 9.6763 12.3335 12.3335 13.2554 13.2554 14.6972 14.6972 15.4660 15.4660 k = 0.5000-0.9108-0.5489 ( 2158 PWs) bands (ev): -50.4261 -50.4261 -26.3414 -26.3414 -23.9791 -23.9791 -23.7360 -23.7360 -2.2689 -2.2689 -1.3178 -1.3178 4.2039 4.2039 5.9580 5.9580 5.9773 5.9773 6.9356 6.9356 8.4262 8.4262 9.3571 9.3571 9.6763 9.6763 12.3335 12.3335 13.2554 13.2554 14.6972 14.6972 15.4660 15.4660 k = 0.5000-0.9004-0.5663 ( 2162 PWs) bands (ev): -50.4261 -50.4261 -26.3414 -26.3414 -23.9792 -23.9792 -23.7361 -23.7361 -2.2680 -2.2680 -1.3181 -1.3181 4.2054 4.2054 5.9558 5.9558 5.9786 5.9786 6.9373 6.9373 8.4250 8.4250 9.3317 9.3317 9.6989 9.6989 12.3338 12.3338 13.2540 13.2540 14.6894 14.6894 15.4658 15.4658 k = 0.5000-0.8899-0.5837 ( 2160 PWs) bands (ev): -50.4261 -50.4261 -26.3415 -26.3415 -23.9791 -23.9791 -23.7364 -23.7364 -2.2654 -2.2654 -1.3188 -1.3188 4.2099 4.2099 5.9492 5.9492 5.9822 5.9822 6.9421 6.9421 8.4213 8.4213 9.2694 9.2694 9.7528 9.7528 12.3348 12.3348 13.2498 13.2498 14.6663 14.6663 15.4651 15.4651 k = 0.5000-0.8794-0.6011 ( 2160 PWs) bands (ev): -50.4260 -50.4260 -26.3416 -26.3416 -23.9791 -23.9791 -23.7369 -23.7369 -2.2610 -2.2610 -1.3201 -1.3201 4.2174 4.2174 5.9385 5.9385 5.9883 5.9883 6.9500 6.9500 8.4151 8.4151 9.1885 9.1885 9.8199 9.8199 12.3364 12.3364 13.2429 13.2429 14.6292 14.6292 15.4638 15.4638 k = 0.5000-0.8689-0.6185 ( 2152 PWs) bands (ev): -50.4258 -50.4258 -26.3416 -26.3416 -23.9789 -23.9789 -23.7376 -23.7376 -2.2549 -2.2549 -1.3218 -1.3218 4.2279 4.2279 5.9239 5.9239 5.9967 5.9967 6.9608 6.9608 8.4064 8.4064 9.0978 9.0978 9.8916 9.8916 12.3387 12.3387 13.2332 13.2332 14.5801 14.5801 15.4621 15.4621 k = 0.5000-0.8584-0.6359 ( 2152 PWs) bands (ev): -50.4257 -50.4257 -26.3418 -26.3418 -23.9788 -23.9788 -23.7385 -23.7385 -2.2470 -2.2470 -1.3241 -1.3241 4.2413 4.2413 5.9058 5.9058 6.0075 6.0075 6.9741 6.9741 8.3949 8.3949 9.0010 9.0010 9.9644 9.9644 12.3417 12.3417 13.2207 13.2207 14.5213 14.5213 15.4599 15.4599 k = 0.5000-0.8479-0.6533 ( 2150 PWs) bands (ev): -50.4256 -50.4256 -26.3420 -26.3420 -23.9787 -23.9787 -23.7396 -23.7396 -2.2375 -2.2375 -1.3268 -1.3268 4.2576 4.2576 5.8847 5.8847 6.0205 6.0205 6.9898 6.9898 8.3806 8.3806 8.8998 8.8998 10.0370 10.0370 12.3453 12.3453 13.2055 13.2055 14.4550 14.4550 15.4570 15.4570 k = 0.5000-0.8375-0.6707 ( 2150 PWs) bands (ev): -50.4255 -50.4255 -26.3422 -26.3422 -23.9786 -23.9786 -23.7408 -23.7408 -2.2263 -2.2263 -1.3301 -1.3301 4.2769 4.2769 5.8609 5.8609 6.0357 6.0357 7.0075 7.0075 8.3633 8.3633 8.7953 8.7953 10.1089 10.1089 12.3495 12.3495 13.1876 13.1876 14.3834 14.3834 15.4536 15.4536 k = 0.5000-0.8270-0.6881 ( 2144 PWs) bands (ev): -50.4253 -50.4253 -26.3425 -26.3425 -23.9784 -23.9784 -23.7422 -23.7422 -2.2135 -2.2135 -1.3339 -1.3339 4.2990 4.2990 5.8350 5.8350 6.0530 6.0530 7.0269 7.0269 8.3428 8.3428 8.6883 8.6883 10.1799 10.1799 12.3541 12.3541 13.1669 13.1669 14.3086 14.3086 15.4496 15.4496 k = 0.5000-0.8165-0.7055 ( 2148 PWs) bands (ev): -50.4252 -50.4252 -26.3428 -26.3428 -23.9782 -23.9782 -23.7438 -23.7438 -2.1992 -2.1992 -1.3383 -1.3383 4.3239 4.3239 5.8074 5.8074 6.0723 6.0723 7.0477 7.0477 8.3187 8.3187 8.5795 8.5795 10.2500 10.2500 12.3591 12.3591 13.1436 13.1436 14.2325 14.2325 15.4448 15.4448 k = 0.5000-0.8060-0.7229 ( 2144 PWs) bands (ev): -50.4249 -50.4249 -26.3431 -26.3431 -23.9781 -23.9781 -23.7455 -23.7455 -2.1833 -2.1833 -1.3432 -1.3432 4.3516 4.3516 5.7785 5.7785 6.0935 6.0935 7.0699 7.0699 8.2902 8.2902 8.4701 8.4701 10.3192 10.3192 12.3639 12.3639 13.1176 13.1176 14.1568 14.1568 15.4394 15.4394 k = 0.5000-0.7955-0.7403 ( 2148 PWs) bands (ev): -50.4248 -50.4248 -26.3435 -26.3435 -23.9779 -23.9779 -23.7473 -23.7473 -2.1659 -2.1659 -1.3487 -1.3487 4.3820 4.3820 5.7488 5.7488 6.1162 6.1162 7.0931 7.0931 8.2548 8.2548 8.3632 8.3632 10.3877 10.3877 12.3684 12.3684 13.0890 13.0890 14.0832 14.0832 15.4332 15.4332 k = 0.5000-0.7850-0.7577 ( 2146 PWs) bands (ev): -50.4246 -50.4246 -26.3439 -26.3439 -23.9778 -23.9778 -23.7491 -23.7491 -2.1472 -2.1472 -1.3547 -1.3547 4.4150 4.4150 5.7185 5.7185 6.1404 6.1404 7.1172 7.1172 8.1995 8.1995 8.2720 8.2720 10.4556 10.4556 12.3719 12.3719 13.0579 13.0579 14.0131 14.0131 15.4261 15.4261 k = 0.5000-0.7746-0.7751 ( 2150 PWs) bands (ev): -50.4244 -50.4244 -26.3443 -26.3443 -23.9777 -23.9777 -23.7511 -23.7511 -2.1271 -2.1271 -1.3613 -1.3613 4.4506 4.4506 5.6880 5.6880 6.1657 6.1657 7.1420 7.1420 8.1070 8.1070 8.2145 8.2145 10.5232 10.5232 12.3737 12.3737 13.0243 13.0243 13.9481 13.9481 15.4181 15.4181 k = 0.5000-0.7641-0.7925 ( 2156 PWs) bands (ev): -50.4243 -50.4243 -26.3448 -26.3448 -23.9776 -23.9776 -23.7532 -23.7532 -2.1058 -2.1058 -1.3686 -1.3686 4.4888 4.4888 5.6577 5.6577 6.1917 6.1917 7.1676 7.1676 7.9993 7.9993 8.1696 8.1696 10.5906 10.5906 12.3732 12.3732 12.9882 12.9882 13.8894 13.8894 15.4091 15.4091 k = 0.5000-0.7536-0.8099 ( 2154 PWs) bands (ev): -50.4240 -50.4240 -26.3452 -26.3452 -23.9775 -23.9775 -23.7552 -23.7552 -2.0834 -2.0834 -1.3764 -1.3764 4.5294 4.5294 5.6279 5.6279 6.2179 6.2179 7.1937 7.1937 7.8891 7.8891 8.1250 8.1250 10.6580 10.6580 12.3695 12.3695 12.9498 12.9498 13.8386 13.8386 15.3990 15.3990 k = 0.5000-0.7431-0.8273 ( 2152 PWs) bands (ev): -50.4238 -50.4238 -26.3457 -26.3457 -23.9774 -23.9774 -23.7572 -23.7572 -2.0599 -2.0599 -1.3848 -1.3848 4.5724 4.5724 5.5987 5.5987 6.2437 6.2437 7.2204 7.2204 7.7799 7.7799 8.0785 8.0785 10.7255 10.7255 12.3619 12.3619 12.9091 12.9091 13.7966 13.7966 15.3878 15.3878 k = 0.5000-0.7326-0.8446 ( 2152 PWs) bands (ev): -50.4235 -50.4235 -26.3462 -26.3462 -23.9774 -23.9774 -23.7593 -23.7593 -2.0354 -2.0354 -1.3938 -1.3938 4.6177 4.6177 5.5704 5.5704 6.2682 6.2682 7.2474 7.2474 7.6734 7.6734 8.0295 8.0295 10.7934 10.7934 12.3495 12.3495 12.8662 12.8662 13.7646 13.7646 15.3752 15.3752 k = 0.5000-0.7221-0.8620 ( 2154 PWs) bands (ev): -50.4233 -50.4233 -26.3467 -26.3467 -23.9774 -23.9774 -23.7613 -23.7613 -2.0101 -2.0101 -1.4035 -1.4035 4.6652 4.6652 5.5433 5.5433 6.2902 6.2902 7.2746 7.2746 7.5713 7.5713 7.9780 7.9780 10.8616 10.8616 12.3321 12.3321 12.8213 12.8213 13.7432 13.7432 15.3613 15.3613 k = 0.5000-0.7117-0.8794 ( 2156 PWs) bands (ev): -50.4231 -50.4231 -26.3472 -26.3472 -23.9775 -23.9775 -23.7633 -23.7633 -1.9840 -1.9840 -1.4138 -1.4138 4.7148 4.7148 5.5176 5.5176 6.3084 6.3084 7.3013 7.3013 7.4759 7.4759 7.9242 7.9242 10.9304 10.9304 12.3093 12.3093 12.7745 12.7745 13.7327 13.7327 15.3458 15.3458 k = 0.5000-0.7012-0.8968 ( 2156 PWs) bands (ev): -50.4229 -50.4229 -26.3477 -26.3477 -23.9775 -23.9775 -23.7652 -23.7652 -1.9573 -1.9573 -1.4247 -1.4247 4.7665 4.7665 5.4933 5.4933 6.3206 6.3206 7.3238 7.3238 7.3933 7.3933 7.8682 7.8682 10.9998 10.9998 12.2812 12.2812 12.7259 12.7259 13.7330 13.7330 15.3286 15.3286 k = 0.5000-0.6907-0.9142 ( 2156 PWs) bands (ev): -50.4227 -50.4227 -26.3482 -26.3482 -23.9776 -23.9776 -23.7670 -23.7670 -1.9301 -1.9301 -1.4363 -1.4363 4.8201 4.8201 5.4706 5.4706 6.3245 6.3245 7.2975 7.2975 7.3703 7.3703 7.8103 7.8103 11.0699 11.0699 12.2484 12.2484 12.6757 12.6757 13.7437 13.7437 15.3096 15.3096 k = 0.5000-0.6802-0.9316 ( 2156 PWs) bands (ev): -50.4224 -50.4224 -26.3487 -26.3487 -23.9778 -23.9778 -23.7687 -23.7687 -1.9026 -1.9026 -1.4484 -1.4484 4.8757 4.8757 5.4498 5.4498 6.3176 6.3176 7.2381 7.2381 7.3939 7.3939 7.7511 7.7511 11.1408 11.1408 12.2113 12.2113 12.6240 12.6240 13.7641 13.7641 15.2887 15.2887 k = 0.5000-0.6697-0.9490 ( 2152 PWs) bands (ev): -50.4222 -50.4222 -26.3492 -26.3492 -23.9780 -23.9780 -23.7703 -23.7703 -1.8749 -1.8749 -1.4612 -1.4612 4.9330 4.9330 5.4307 5.4307 6.2977 6.2977 7.1907 7.1907 7.4205 7.4205 7.6915 7.6915 11.2124 11.2124 12.1708 12.1708 12.5711 12.5711 13.7933 13.7933 15.2656 15.2656 k = 0.5000-0.6592-0.9664 ( 2154 PWs) bands (ev): -50.4220 -50.4220 -26.3497 -26.3497 -23.9782 -23.9782 -23.7718 -23.7718 -1.8472 -1.8472 -1.4746 -1.4746 4.9919 4.9919 5.4137 5.4137 6.2636 6.2636 7.1595 7.1595 7.4454 7.4454 7.6335 7.6335 11.2848 11.2848 12.1277 12.1277 12.5172 12.5172 13.8303 13.8303 15.2403 15.2403 k = 0.5000-0.6488-0.9838 ( 2152 PWs) bands (ev): -50.4218 -50.4218 -26.3501 -26.3501 -23.9784 -23.9784 -23.7731 -23.7731 -1.8196 -1.8196 -1.4886 -1.4886 5.0525 5.0525 5.3987 5.3987 6.2160 6.2160 7.1444 7.1444 7.4612 7.4612 7.5842 7.5842 11.3579 11.3579 12.0828 12.0828 12.4625 12.4625 13.8742 13.8742 15.2126 15.2126 k = 0.5000-0.6383-1.0012 ( 2144 PWs) bands (ev): -50.4215 -50.4215 -26.3505 -26.3505 -23.9786 -23.9786 -23.7742 -23.7742 -1.7923 -1.7923 -1.5032 -1.5032 5.1144 5.1144 5.3857 5.3857 6.1572 6.1572 7.1436 7.1436 7.4472 7.4472 7.5645 7.5645 11.4317 11.4317 12.0369 12.0369 12.4073 12.4073 13.9239 13.9239 15.1823 15.1823 k = 0.5000-0.6278-1.0186 ( 2142 PWs) bands (ev): -50.4213 -50.4213 -26.3508 -26.3508 -23.9789 -23.9789 -23.7752 -23.7752 -1.7656 -1.7656 -1.5183 -1.5183 5.1775 5.1775 5.3749 5.3749 6.0899 6.0899 7.1542 7.1542 7.3994 7.3994 7.5787 7.5787 11.5060 11.5060 11.9906 11.9906 12.3517 12.3517 13.9786 13.9786 15.1495 15.1495 k = 0.5000-0.6173-1.0360 ( 2142 PWs) bands (ev): -50.4211 -50.4211 -26.3512 -26.3512 -23.9792 -23.9792 -23.7761 -23.7761 -1.7396 -1.7396 -1.5339 -1.5339 5.2415 5.2415 5.3664 5.3664 6.0172 6.0172 7.1734 7.1734 7.3394 7.3394 7.6056 7.6056 11.5804 11.5804 11.9447 11.9447 12.2961 12.2961 14.0376 14.0376 15.1139 15.1139 k = 0.5000-0.6068-1.0534 ( 2142 PWs) bands (ev): -50.4210 -50.4210 -26.3515 -26.3515 -23.9794 -23.9794 -23.7768 -23.7768 -1.7146 -1.7146 -1.5499 -1.5499 5.3052 5.3052 5.3610 5.3610 5.9419 5.9419 7.1987 7.1987 7.2759 7.2759 7.6367 7.6367 11.6542 11.6542 11.9002 11.9002 12.2408 12.2408 14.0999 14.0999 15.0756 15.0756 k = 0.5000-0.5963-1.0708 ( 2144 PWs) bands (ev): -50.4209 -50.4209 -26.3517 -26.3517 -23.9796 -23.9796 -23.7773 -23.7773 -1.6908 -1.6908 -1.5663 -1.5663 5.3476 5.3476 5.3790 5.3790 5.8663 5.8663 7.2108 7.2108 7.2287 7.2287 7.6699 7.6699 11.7242 11.7242 11.8602 11.8602 12.1861 12.1861 14.1651 14.1651 15.0346 15.0346 k = 0.5000-0.5859-1.0882 ( 2144 PWs) bands (ev): -50.4209 -50.4209 -26.3519 -26.3519 -23.9798 -23.9798 -23.7777 -23.7777 -1.6689 -1.6689 -1.5826 -1.5826 5.3486 5.3486 5.4393 5.4393 5.7933 5.7933 7.1465 7.1465 7.2604 7.2604 7.7045 7.7045 11.7685 11.7685 11.8466 11.8466 12.1328 12.1328 14.2324 14.2324 14.9909 14.9909 k = 0.5000-0.5754-1.1056 ( 2146 PWs) bands (ev): -50.4209 -50.4209 -26.3520 -26.3520 -23.9799 -23.9799 -23.7780 -23.7780 -1.6501 -1.6501 -1.5977 -1.5977 5.3480 5.3480 5.4976 5.4976 5.7283 5.7283 7.0826 7.0826 7.2938 7.2938 7.7401 7.7401 11.7487 11.7487 11.8961 11.8961 12.0826 12.0826 14.3012 14.3012 14.9447 14.9447 k = 0.5000-0.5649-1.1230 ( 2146 PWs) bands (ev): -50.4208 -50.4208 -26.3521 -26.3521 -23.9800 -23.9800 -23.7780 -23.7780 -1.6402 -1.6402 -1.6061 -1.6061 5.3486 5.3486 5.5342 5.5342 5.6889 5.6889 7.0198 7.0198 7.3274 7.3274 7.7768 7.7768 11.7113 11.7113 11.9525 11.9525 12.0452 12.0452 14.3711 14.3711 14.8961 14.8961 k = 0.5000-0.5544-1.1404 ( 2146 PWs) bands (ev): -50.4209 -50.4209 -26.3520 -26.3520 -23.9799 -23.9799 -23.7780 -23.7780 -1.6481 -1.6481 -1.5990 -1.5990 5.3505 5.3505 5.5173 5.5173 5.7075 5.7075 6.9586 6.9586 7.3604 7.3604 7.8144 7.8144 11.6723 11.6723 11.9512 11.9512 12.0692 12.0692 14.4414 14.4414 14.8452 14.8452 k = 0.5000-0.5439-1.1578 ( 2142 PWs) bands (ev): -50.4208 -50.4208 -26.3519 -26.3519 -23.9798 -23.9798 -23.7778 -23.7778 -1.6643 -1.6643 -1.5861 -1.5861 5.3532 5.3532 5.4680 5.4680 5.7636 5.7636 6.8994 6.8994 7.3921 7.3921 7.8528 7.8528 11.6339 11.6339 11.9098 11.9098 12.1351 12.1351 14.5116 14.5116 14.7925 14.7925 k = 0.5000-0.5334-1.1751 ( 2144 PWs) bands (ev): -50.4210 -50.4210 -26.3517 -26.3517 -23.9795 -23.9795 -23.7774 -23.7774 -1.6828 -1.6828 -1.5737 -1.5737 5.3557 5.3557 5.4143 5.4143 5.8307 5.8307 6.8427 6.8427 7.4219 7.4219 7.8922 7.8922 11.5967 11.5967 11.8638 11.8638 12.2064 12.2064 14.5811 14.5811 14.7383 14.7383 k = 0.8184-0.4518-1.0206 ( 2144 PWs) bands (ev): -50.4210 -50.4210 -26.3517 -26.3517 -23.9795 -23.9795 -23.7774 -23.7774 -1.6828 -1.6828 -1.5737 -1.5737 5.3557 5.3557 5.4143 5.4143 5.8307 5.8307 6.8427 6.8427 7.4219 7.4219 7.8922 7.8922 11.5967 11.5967 11.8638 11.8638 12.2064 12.2064 14.5811 14.5811 14.7383 14.7383 k = 0.8134-0.4427-1.0035 ( 2146 PWs) bands (ev): -50.4211 -50.4211 -26.3514 -26.3514 -23.9791 -23.9791 -23.7770 -23.7770 -1.7018 -1.7018 -1.5633 -1.5633 5.3459 5.3459 5.3759 5.3759 5.9007 5.9007 6.7896 6.7896 7.4489 7.4489 7.9319 7.9319 11.5613 11.5613 11.8186 11.8186 12.2770 12.2770 14.6472 14.6472 14.6851 14.6851 k = 0.8084-0.4337-0.9863 ( 2144 PWs) bands (ev): -50.4212 -50.4212 -26.3510 -26.3510 -23.9786 -23.9786 -23.7764 -23.7764 -1.7214 -1.7214 -1.5554 -1.5554 5.3043 5.3043 5.3736 5.3736 5.9726 5.9726 6.7398 6.7398 7.4730 7.4730 7.9725 7.9725 11.5272 11.5272 11.7747 11.7747 12.3464 12.3464 14.6266 14.6266 14.7163 14.7163 k = 0.8035-0.4246-0.9691 ( 2144 PWs) bands (ev): -50.4214 -50.4214 -26.3505 -26.3505 -23.9778 -23.9778 -23.7758 -23.7758 -1.7414 -1.7414 -1.5501 -1.5501 5.2608 5.2608 5.3781 5.3781 6.0455 6.0455 6.6938 6.6938 7.4940 7.4940 8.0139 8.0139 11.4946 11.4946 11.7324 11.7324 12.4140 12.4140 14.5712 14.5712 14.7799 14.7799 k = 0.7985-0.4156-0.9520 ( 2148 PWs) bands (ev): -50.4217 -50.4217 -26.3499 -26.3499 -23.9770 -23.9770 -23.7751 -23.7751 -1.7617 -1.7617 -1.5476 -1.5476 5.2219 5.2219 5.3832 5.3832 6.1191 6.1191 6.6520 6.6520 7.5113 7.5113 8.0563 8.0563 11.4632 11.4632 11.6917 11.6917 12.4791 12.4791 14.5156 14.5156 14.8414 14.8414 k = 0.7935-0.4065-0.9348 ( 2146 PWs) bands (ev): -50.4219 -50.4219 -26.3491 -26.3491 -23.9759 -23.9759 -23.7743 -23.7743 -1.7823 -1.7823 -1.5482 -1.5482 5.1886 5.1886 5.3880 5.3880 6.1930 6.1930 6.6149 6.6149 7.5248 7.5248 8.0995 8.0995 11.4332 11.4332 11.6528 11.6528 12.5412 12.5412 14.4606 14.4606 14.8998 14.8998 k = 0.7885-0.3974-0.9177 ( 2154 PWs) bands (ev): -50.4223 -50.4223 -26.3483 -26.3483 -23.9746 -23.9746 -23.7734 -23.7734 -1.8031 -1.8031 -1.5519 -1.5519 5.1611 5.1611 5.3919 5.3919 6.2670 6.2670 6.5832 6.5832 7.5342 7.5342 8.1436 8.1436 11.4044 11.4044 11.6154 11.6154 12.5998 12.5998 14.4068 14.4068 14.9547 14.9547 k = 0.7836-0.3884-0.9005 ( 2156 PWs) bands (ev): -50.4227 -50.4227 -26.3474 -26.3474 -23.9731 -23.9731 -23.7725 -23.7725 -1.8241 -1.8241 -1.5589 -1.5589 5.1399 5.1399 5.3946 5.3946 6.3409 6.3409 6.5573 6.5573 7.5393 7.5393 8.1886 8.1886 11.3768 11.3768 11.5796 11.5796 12.6546 12.6546 14.3548 14.3548 15.0056 15.0056 k = 0.7786-0.3793-0.8834 ( 2158 PWs) bands (ev): -50.4231 -50.4231 -26.3463 -26.3463 -23.9714 -23.9714 -23.7715 -23.7715 -1.8452 -1.8452 -1.5692 -1.5692 5.1251 5.1251 5.3957 5.3957 6.4141 6.4141 6.5379 6.5379 7.5402 7.5402 8.2345 8.2345 11.3504 11.3504 11.5450 11.5450 12.7051 12.7051 14.3049 14.3049 15.0519 15.0519 k = 0.7736-0.3702-0.8662 ( 2166 PWs) bands (ev): -50.4237 -50.4237 -26.3451 -26.3451 -23.9695 -23.9695 -23.7705 -23.7705 -1.8665 -1.8665 -1.5828 -1.5828 5.1168 5.1168 5.3949 5.3949 6.4833 6.4833 6.5284 6.5284 7.5366 7.5366 8.2812 8.2812 11.3250 11.3250 11.5115 11.5115 12.7511 12.7511 14.2578 14.2578 15.0931 15.0931 k = 0.7686-0.3612-0.8491 ( 2164 PWs) bands (ev): -50.4241 -50.4241 -26.3438 -26.3438 -23.9673 -23.9673 -23.7694 -23.7694 -1.8879 -1.8879 -1.5997 -1.5997 5.1150 5.1150 5.3921 5.3921 6.5100 6.5100 6.5674 6.5674 7.5288 7.5288 8.3287 8.3287 11.3006 11.3006 11.4788 11.4788 12.7922 12.7922 14.2136 14.2136 15.1289 15.1289 k = 0.7637-0.3521-0.8319 ( 2156 PWs) bands (ev): -50.4245 -50.4245 -26.3422 -26.3422 -23.9648 -23.9648 -23.7683 -23.7683 -1.9093 -1.9093 -1.6200 -1.6200 5.1199 5.1199 5.3872 5.3872 6.5120 6.5120 6.6369 6.6369 7.5167 7.5167 8.3769 8.3769 11.2771 11.2771 11.4465 11.4465 12.8284 12.8284 14.1728 14.1728 15.1588 15.1588 k = 0.7587-0.3431-0.8148 ( 2156 PWs) bands (ev): -50.4250 -50.4250 -26.3406 -26.3406 -23.9621 -23.9621 -23.7672 -23.7672 -1.9308 -1.9308 -1.6435 -1.6435 5.1313 5.1313 5.3805 5.3805 6.5186 6.5186 6.7072 6.7072 7.5007 7.5007 8.4258 8.4258 11.2545 11.2545 11.4145 11.4145 12.8598 12.8598 14.1354 14.1354 15.1826 15.1826 k = 0.7537-0.3340-0.7976 ( 2154 PWs) bands (ev): -50.4256 -50.4256 -26.3389 -26.3389 -23.9592 -23.9592 -23.7660 -23.7660 -1.9523 -1.9523 -1.6703 -1.6703 5.1493 5.1493 5.3720 5.3720 6.5312 6.5312 6.7763 6.7763 7.4810 7.4810 8.4753 8.4753 11.2328 11.2328 11.3823 11.3823 12.8866 12.8866 14.1014 14.1014 15.2000 15.2000 k = 0.7487-0.3249-0.7804 ( 2150 PWs) bands (ev): -50.4261 -50.4261 -26.3370 -26.3370 -23.9559 -23.9559 -23.7649 -23.7649 -1.9738 -1.9738 -1.7002 -1.7002 5.1737 5.1737 5.3622 5.3622 6.5499 6.5499 6.8435 6.8435 7.4581 7.4581 8.5253 8.5253 11.2118 11.2118 11.3497 11.3497 12.9089 12.9089 14.0709 14.0709 15.2108 15.2108 k = 0.7438-0.3159-0.7633 ( 2148 PWs) bands (ev): -50.4268 -50.4268 -26.3350 -26.3350 -23.9525 -23.9525 -23.7637 -23.7637 -1.9954 -1.9954 -1.7330 -1.7330 5.2045 5.2045 5.3513 5.3513 6.5742 6.5742 6.9079 6.9079 7.4328 7.4328 8.5756 8.5756 11.1914 11.1914 11.3168 11.3168 12.9273 12.9273 14.0436 14.0436 15.2151 15.2151 k = 0.7388-0.3068-0.7461 ( 2146 PWs) bands (ev): -50.4274 -50.4274 -26.3328 -26.3328 -23.9488 -23.9488 -23.7626 -23.7626 -2.0169 -2.0169 -1.7687 -1.7687 5.2414 5.2414 5.3399 5.3399 6.6039 6.6039 6.9682 6.9682 7.4065 7.4065 8.6262 8.6262 11.1715 11.1715 11.2834 11.2834 12.9422 12.9422 14.0191 14.0191 15.2128 15.2128 k = 0.7338-0.2977-0.7290 ( 2148 PWs) bands (ev): -50.4282 -50.4282 -26.3306 -26.3306 -23.9448 -23.9448 -23.7614 -23.7614 -2.0384 -2.0384 -1.8070 -1.8070 5.2840 5.2840 5.3286 5.3286 6.6385 6.6385 7.0221 7.0221 7.3814 7.3814 8.6767 8.6767 11.1518 11.1518 11.2499 11.2499 12.9541 12.9541 13.9974 13.9974 15.2040 15.2040 k = 0.7288-0.2887-0.7118 ( 2148 PWs) bands (ev): -50.4290 -50.4290 -26.3283 -26.3283 -23.9406 -23.9406 -23.7603 -23.7603 -2.0598 -2.0598 -1.8479 -1.8479 5.3150 5.3150 5.3351 5.3351 6.6776 6.6776 7.0654 7.0654 7.3618 7.3618 8.7269 8.7269 11.1316 11.1316 11.2171 11.2171 12.9633 12.9633 13.9781 13.9781 15.1889 15.1889 k = 0.7239-0.2796-0.6947 ( 2144 PWs) bands (ev): -50.4297 -50.4297 -26.3257 -26.3257 -23.9361 -23.9361 -23.7592 -23.7592 -2.0812 -2.0812 -1.8910 -1.8910 5.3054 5.3054 5.3884 5.3884 6.7209 6.7209 7.0912 7.0912 7.3547 7.3547 8.7767 8.7767 11.1096 11.1096 11.1866 11.1866 12.9701 12.9701 13.9612 13.9612 15.1678 15.1678 k = 0.7189-0.2705-0.6775 ( 2142 PWs) bands (ev): -50.4306 -50.4306 -26.3231 -26.3231 -23.9314 -23.9314 -23.7581 -23.7581 -2.1026 -2.1026 -1.9362 -1.9362 5.2958 5.2958 5.4482 5.4482 6.7679 6.7679 7.0933 7.0933 7.3661 7.3661 8.8258 8.8258 11.0840 11.0840 11.1604 11.1604 12.9748 12.9748 13.9464 13.9464 15.1410 15.1410 k = 0.7139-0.2615-0.6604 ( 2140 PWs) bands (ev): -50.4314 -50.4314 -26.3204 -26.3204 -23.9265 -23.9265 -23.7570 -23.7570 -2.1240 -2.1240 -1.9832 -1.9832 5.2875 5.2875 5.5132 5.5132 6.8184 6.8184 7.0736 7.0736 7.3945 7.3945 8.8737 8.8737 11.0537 11.0537 11.1402 11.1402 12.9772 12.9772 13.9340 13.9340 15.1088 15.1088 k = 0.7089-0.2524-0.6432 ( 2140 PWs) bands (ev): -50.4323 -50.4323 -26.3176 -26.3176 -23.9213 -23.9213 -23.7559 -23.7559 -2.1455 -2.1455 -2.0318 -2.0318 5.2807 5.2807 5.5831 5.5831 6.8718 6.8718 7.0392 7.0392 7.4327 7.4327 8.9203 8.9203 11.0195 11.0195 11.1257 11.1257 12.9774 12.9774 13.9240 13.9240 15.0717 15.0717 k = 0.7040-0.2434-0.6261 ( 2142 PWs) bands (ev): -50.4333 -50.4333 -26.3147 -26.3147 -23.9159 -23.9159 -23.7549 -23.7549 -2.1672 -2.1672 -2.0814 -2.0814 5.2758 5.2758 5.6576 5.6576 6.9275 6.9275 6.9966 6.9966 7.4750 7.4750 8.9649 8.9649 10.9829 10.9829 11.1161 11.1161 12.9751 12.9751 13.9167 13.9167 15.0299 15.0299 k = 0.6990-0.2343-0.6089 ( 2144 PWs) bands (ev): -50.4343 -50.4343 -26.3118 -26.3118 -23.9103 -23.9103 -23.7539 -23.7539 -2.1901 -2.1901 -2.1312 -2.1312 5.2729 5.2729 5.7365 5.7365 6.9439 6.9439 6.9903 6.9903 7.5180 7.5180 9.0074 9.0074 10.9454 10.9454 11.1106 11.1106 12.9700 12.9700 13.9125 13.9125 14.9840 14.9840 k = 0.6940-0.2252-0.5917 ( 2146 PWs) bands (ev): -50.4353 -50.4353 -26.3087 -26.3087 -23.9045 -23.9045 -23.7529 -23.7529 -2.2168 -2.2168 -2.1780 -2.1780 5.2723 5.2723 5.8193 5.8193 6.8927 6.8927 7.0502 7.0502 7.5601 7.5601 9.0471 9.0471 10.9080 10.9080 11.1089 11.1089 12.9619 12.9619 13.9116 13.9116 14.9344 14.9344 k = 0.6890-0.2162-0.5746 ( 2146 PWs) bands (ev): -50.4363 -50.4363 -26.3056 -26.3056 -23.8985 -23.8985 -23.7520 -23.7520 -2.2555 -2.2555 -2.2137 -2.2137 5.2742 5.2742 5.9057 5.9057 6.8377 6.8377 7.1136 7.1136 7.6003 7.6003 9.0838 9.0838 10.8715 10.8715 11.1111 11.1111 12.9504 12.9504 13.9143 13.9143 14.8816 14.8816 k = 0.6841-0.2071-0.5574 ( 2142 PWs) bands (ev): -50.4373 -50.4373 -26.3023 -26.3023 -23.8923 -23.8923 -23.7510 -23.7510 -2.3052 -2.3052 -2.2390 -2.2390 5.2786 5.2786 5.9953 5.9953 6.7806 6.7806 7.1791 7.1791 7.6381 7.6381 9.1170 9.1170 10.8364 10.8364 11.1172 11.1172 12.9354 12.9354 13.9208 13.9208 14.8261 14.8261 k = 0.6791-0.1980-0.5403 ( 2140 PWs) bands (ev): -50.4383 -50.4383 -26.2991 -26.2991 -23.8860 -23.8860 -23.7501 -23.7501 -2.3587 -2.3587 -2.2607 -2.2607 5.2857 5.2857 6.0876 6.0876 6.7221 6.7221 7.2463 7.2463 7.6733 7.6733 9.1463 9.1463 10.8032 10.8032 11.1274 11.1274 12.9168 12.9168 13.9312 13.9312 14.7684 14.7684 k = 0.6741-0.1890-0.5231 ( 2140 PWs) bands (ev): -50.4394 -50.4394 -26.2958 -26.2958 -23.8795 -23.8795 -23.7492 -23.7492 -2.4136 -2.4136 -2.2812 -2.2812 5.2955 5.2955 6.1818 6.1818 6.6631 6.6631 7.3150 7.3150 7.7058 7.7058 9.1714 9.1714 10.7724 10.7724 11.1416 11.1416 12.8945 12.8945 13.9455 13.9455 14.7089 14.7089 k = 0.6691-0.1799-0.5060 ( 2144 PWs) bands (ev): -50.4405 -50.4405 -26.2924 -26.2924 -23.8729 -23.8729 -23.7483 -23.7483 -2.4691 -2.4691 -2.3011 -2.3011 5.3082 5.3082 6.2766 6.2766 6.6045 6.6045 7.3850 7.3850 7.7358 7.7358 9.1921 9.1921 10.7442 10.7442 11.1598 11.1598 12.8688 12.8688 13.9635 13.9635 14.6483 14.6483 k = 0.6642-0.1709-0.4888 ( 2144 PWs) bands (ev): -50.4416 -50.4416 -26.2890 -26.2890 -23.8662 -23.8662 -23.7475 -23.7475 -2.5248 -2.5248 -2.3206 -2.3206 5.3238 5.3238 6.3680 6.3680 6.5502 6.5502 7.4560 7.4560 7.7636 7.7636 9.2082 9.2082 10.7190 10.7190 11.1821 11.1821 12.8397 12.8397 13.9850 13.9850 14.5871 14.5871 k = 0.6592-0.1618-0.4717 ( 2144 PWs) bands (ev): -50.4427 -50.4427 -26.2856 -26.2856 -23.8594 -23.8594 -23.7466 -23.7466 -2.5805 -2.5805 -2.3396 -2.3396 5.3423 5.3423 6.4263 6.4263 6.5290 6.5290 7.5277 7.5277 7.7898 7.7898 9.2197 9.2197 10.6968 10.6968 11.2081 11.2081 12.8077 12.8077 14.0097 14.0097 14.5259 14.5259 k = 0.6542-0.1527-0.4545 ( 2142 PWs) bands (ev): -50.4438 -50.4438 -26.2822 -26.2822 -23.8526 -23.8526 -23.7458 -23.7458 -2.6361 -2.6361 -2.3583 -2.3583 5.3638 5.3638 6.3960 6.3960 6.5963 6.5963 7.5997 7.5997 7.8152 7.8152 9.2268 9.2268 10.6778 10.6778 11.2375 11.2375 12.7730 12.7730 14.0372 14.0372 14.4653 14.4653 k = 0.6492-0.1437-0.4374 ( 2142 PWs) bands (ev): -50.4449 -50.4449 -26.2788 -26.2788 -23.8456 -23.8456 -23.7449 -23.7449 -2.6912 -2.6912 -2.3767 -2.3767 5.3883 5.3883 6.3400 6.3400 6.6877 6.6877 7.6715 7.6715 7.8411 7.8411 9.2296 9.2296 10.6620 10.6620 11.2698 11.2698 12.7358 12.7358 14.0671 14.0671 14.4059 14.4059 k = 0.6443-0.1346-0.4202 ( 2142 PWs) bands (ev): -50.4460 -50.4460 -26.2754 -26.2754 -23.8387 -23.8387 -23.7441 -23.7441 -2.7458 -2.7458 -2.3946 -2.3946 5.4157 5.4157 6.2804 6.2804 6.7804 6.7804 7.7424 7.7424 7.8690 7.8690 9.2286 9.2286 10.6492 10.6492 11.3043 11.3043 12.6966 12.6966 14.0990 14.0990 14.3486 14.3486 k = 0.6393-0.1255-0.4031 ( 2148 PWs) bands (ev): -50.4472 -50.4472 -26.2720 -26.2720 -23.8319 -23.8319 -23.7432 -23.7432 -2.7998 -2.7998 -2.4123 -2.4123 5.4462 5.4462 6.2201 6.2201 6.8698 6.8698 7.8112 7.8112 7.9016 7.9016 9.2243 9.2243 10.6395 10.6395 11.3403 11.3403 12.6556 12.6556 14.1325 14.1325 14.2942 14.2942 k = 0.6343-0.1165-0.3859 ( 2144 PWs) bands (ev): -50.4483 -50.4483 -26.2687 -26.2687 -23.8250 -23.8250 -23.7423 -23.7423 -2.8529 -2.8529 -2.4295 -2.4295 5.4796 5.4796 6.1598 6.1598 6.9532 6.9532 7.8759 7.8759 7.9422 7.9422 9.2173 9.2173 10.6326 10.6326 11.3769 11.3769 12.6130 12.6130 14.1664 14.1664 14.2441 14.2441 k = 0.6293-0.1074-0.3687 ( 2142 PWs) bands (ev): -50.4493 -50.4493 -26.2653 -26.2653 -23.8182 -23.8182 -23.7413 -23.7413 -2.9051 -2.9051 -2.4463 -2.4463 5.5159 5.5159 6.1001 6.1001 7.0285 7.0285 7.9355 7.9355 7.9933 7.9933 9.2085 9.2085 10.6284 10.6284 11.4131 11.4131 12.5691 12.5691 14.1851 14.1851 14.2147 14.2147 k = 0.6244-0.0984-0.3516 ( 2134 PWs) bands (ev): -50.4503 -50.4503 -26.2620 -26.2620 -23.8115 -23.8115 -23.7403 -23.7403 -2.9563 -2.9563 -2.4628 -2.4628 5.5552 5.5552 6.0411 6.0411 7.0934 7.0934 7.9942 7.9942 8.0519 8.0519 9.1990 9.1990 10.6265 10.6265 11.4479 11.4479 12.5242 12.5242 14.1504 14.1504 14.2443 14.2443 k = 0.6194-0.0893-0.3344 ( 2132 PWs) bands (ev): -50.4514 -50.4514 -26.2588 -26.2588 -23.8050 -23.8050 -23.7391 -23.7391 -3.0063 -3.0063 -2.4787 -2.4787 5.5973 5.5973 5.9830 5.9830 7.1466 7.1466 8.0570 8.0570 8.1134 8.1134 9.1901 9.1901 10.6268 10.6268 11.4803 11.4803 12.4782 12.4782 14.1153 14.1153 14.2807 14.2807 k = 0.6144-0.0802-0.3173 ( 2138 PWs) bands (ev): -50.4525 -50.4525 -26.2556 -26.2556 -23.7988 -23.7988 -23.7379 -23.7379 -3.0550 -3.0550 -2.4943 -2.4943 5.6422 5.6422 5.9262 5.9262 7.1875 7.1875 8.1239 8.1239 8.1768 8.1768 9.1832 9.1832 10.6290 10.6290 11.5091 11.5091 12.4315 12.4315 14.0863 14.0863 14.3178 14.3178 k = 0.6094-0.0712-0.3001 ( 2136 PWs) bands (ev): -50.4535 -50.4535 -26.2525 -26.2525 -23.7929 -23.7929 -23.7364 -23.7364 -3.1024 -3.1024 -2.5093 -2.5093 5.6898 5.6898 5.8706 5.8706 7.2168 7.2168 8.1866 8.1866 8.2485 8.2485 9.1803 9.1803 10.6328 10.6328 11.5335 11.5335 12.3840 12.3840 14.0647 14.0647 14.3549 14.3549 k = 0.6045-0.0621-0.2830 ( 2140 PWs) bands (ev): -50.4546 -50.4546 -26.2495 -26.2495 -23.7873 -23.7873 -23.7348 -23.7348 -3.1483 -3.1483 -2.5239 -2.5239 5.7401 5.7401 5.8164 5.8164 7.2359 7.2359 8.2350 8.2350 8.3352 8.3352 9.1833 9.1833 10.6380 10.6380 11.5524 11.5524 12.3358 12.3358 14.0511 14.0511 14.3915 14.3915 k = 0.5995-0.0530-0.2658 ( 2136 PWs) bands (ev): -50.4555 -50.4555 -26.2466 -26.2466 -23.7821 -23.7821 -23.7329 -23.7329 -3.1926 -3.1926 -2.5380 -2.5380 5.7637 5.7637 5.7933 5.7933 7.2463 7.2463 8.2689 8.2689 8.4338 8.4338 9.1941 9.1941 10.6444 10.6444 11.5651 11.5651 12.2871 12.2871 14.0461 14.0461 14.4274 14.4274 k = 0.5945-0.0440-0.2487 ( 2140 PWs) bands (ev): -50.4565 -50.4565 -26.2438 -26.2438 -23.7774 -23.7774 -23.7307 -23.7307 -3.2353 -3.2353 -2.5515 -2.5515 5.7129 5.7129 5.8486 5.8486 7.2499 7.2499 8.2890 8.2890 8.5404 8.5404 9.2142 9.2142 10.6517 10.6517 11.5711 11.5711 12.2377 12.2377 14.0500 14.0500 14.4623 14.4623 k = 0.5895-0.0349-0.2315 ( 2140 PWs) bands (ev): -50.4574 -50.4574 -26.2411 -26.2411 -23.7732 -23.7732 -23.7282 -23.7282 -3.2763 -3.2763 -2.5645 -2.5645 5.6639 5.6639 5.9064 5.9064 7.2482 7.2482 8.2958 8.2958 8.6524 8.6524 9.2442 9.2442 10.6598 10.6598 11.5701 11.5701 12.1877 12.1877 14.0626 14.0626 14.4961 14.4961 k = 0.5846-0.0259-0.2144 ( 2136 PWs) bands (ev): -50.4582 -50.4582 -26.2384 -26.2384 -23.7695 -23.7695 -23.7254 -23.7254 -3.3155 -3.3155 -2.5769 -2.5769 5.6168 5.6168 5.9666 5.9666 7.2425 7.2425 8.2897 8.2897 8.7680 8.7680 9.2842 9.2842 10.6685 10.6685 11.5619 11.5619 12.1371 12.1371 14.0839 14.0839 14.5284 14.5284 k = 0.5796-0.0168-0.1972 ( 2140 PWs) bands (ev): -50.4592 -50.4592 -26.2359 -26.2359 -23.7665 -23.7665 -23.7222 -23.7222 -3.3529 -3.3529 -2.5887 -2.5887 5.5718 5.5718 6.0290 6.0290 7.2339 7.2339 8.2719 8.2719 8.8860 8.8860 9.3329 9.3329 10.6777 10.6777 11.5468 11.5468 12.0857 12.0857 14.1131 14.1131 14.5591 14.5591 k = 0.5746-0.0077-0.1800 ( 2140 PWs) bands (ev): -50.4600 -50.4600 -26.2336 -26.2336 -23.7639 -23.7639 -23.7188 -23.7188 -3.3883 -3.3883 -2.5999 -2.5999 5.5290 5.5290 6.0934 6.0934 7.2233 7.2233 8.2439 8.2439 9.0053 9.0053 9.3892 9.3892 10.6873 10.6873 11.5251 11.5251 12.0336 12.0336 14.1497 14.1497 14.5881 14.5881 k = 0.5696 0.0013-0.1629 ( 2138 PWs) bands (ev): -50.4607 -50.4607 -26.2313 -26.2313 -23.7618 -23.7618 -23.7153 -23.7153 -3.4217 -3.4217 -2.6105 -2.6105 5.4884 5.4884 6.1598 6.1598 7.2113 7.2113 8.2072 8.2072 9.1249 9.1249 9.4513 9.4513 10.6973 10.6973 11.4973 11.4973 11.9806 11.9806 14.1927 14.1927 14.6151 14.6151 k = 0.5647 0.0104-0.1457 ( 2138 PWs) bands (ev): -50.4614 -50.4614 -26.2292 -26.2292 -23.7600 -23.7600 -23.7116 -23.7116 -3.4530 -3.4530 -2.6204 -2.6204 5.4502 5.4502 6.2280 6.2280 7.1986 7.1986 8.1632 8.1632 9.2439 9.2439 9.5180 9.5180 10.7076 10.7076 11.4640 11.4640 11.9267 11.9267 14.2409 14.2409 14.6401 14.6401 k = 0.5597 0.0195-0.1286 ( 2138 PWs) bands (ev): -50.4621 -50.4621 -26.2272 -26.2272 -23.7586 -23.7586 -23.7079 -23.7079 -3.4823 -3.4823 -2.6297 -2.6297 5.4145 5.4145 6.2979 6.2979 7.1855 7.1855 8.1132 8.1132 9.3616 9.3616 9.5878 9.5878 10.7183 10.7183 11.4258 11.4258 11.8717 11.8717 14.2933 14.2933 14.6630 14.6630 k = 0.5547 0.0285-0.1114 ( 2142 PWs) bands (ev): -50.4628 -50.4628 -26.2254 -26.2254 -23.7575 -23.7575 -23.7044 -23.7044 -3.5094 -3.5094 -2.6383 -2.6383 5.3813 5.3813 6.3692 6.3692 7.1725 7.1725 8.0582 8.0582 9.4770 9.4770 9.6598 9.6598 10.7296 10.7296 11.3835 11.3835 11.8157 11.8157 14.3486 14.3486 14.6838 14.6838 k = 0.5497 0.0376-0.0943 ( 2142 PWs) bands (ev): -50.4634 -50.4634 -26.2237 -26.2237 -23.7566 -23.7566 -23.7009 -23.7009 -3.5343 -3.5343 -2.6461 -2.6461 5.3508 5.3508 6.4419 6.4419 7.1599 7.1599 7.9991 7.9991 9.5893 9.5893 9.7328 9.7328 10.7415 10.7415 11.3379 11.3379 11.7586 11.7586 14.4055 14.4055 14.7025 14.7025 k = 0.5448 0.0466-0.0771 ( 2144 PWs) bands (ev): -50.4640 -50.4640 -26.2221 -26.2221 -23.7558 -23.7558 -23.6977 -23.6977 -3.5570 -3.5570 -2.6533 -2.6533 5.3229 5.3229 6.5156 6.5156 7.1478 7.1478 7.9366 7.9366 9.6976 9.6976 9.8061 9.8061 10.7543 10.7543 11.2896 11.2896 11.7005 11.7005 14.4627 14.4627 14.7190 14.7190 k = 0.5398 0.0557-0.0600 ( 2144 PWs) bands (ev): -50.4645 -50.4645 -26.2208 -26.2208 -23.7552 -23.7552 -23.6947 -23.6947 -3.5773 -3.5773 -2.6598 -2.6598 5.2978 5.2978 6.5902 6.5902 7.1366 7.1366 7.8713 7.8713 9.8007 9.8007 9.8789 9.8789 10.7684 10.7684 11.2395 11.2395 11.6413 11.6413 14.5188 14.5188 14.7334 14.7334 k = 0.5348 0.0648-0.0428 ( 2142 PWs) bands (ev): -50.4649 -50.4649 -26.2195 -26.2195 -23.7547 -23.7547 -23.6919 -23.6919 -3.5954 -3.5954 -2.6655 -2.6655 5.2755 5.2755 6.6652 6.6652 7.1264 7.1264 7.8039 7.8039 9.8974 9.8974 9.9501 9.9501 10.7842 10.7842 11.1884 11.1884 11.5814 11.5814 14.5726 14.5726 14.7459 14.7459 k = 0.5298 0.0738-0.0257 ( 2142 PWs) bands (ev): -50.4652 -50.4652 -26.2184 -26.2184 -23.7543 -23.7543 -23.6895 -23.6895 -3.6111 -3.6111 -2.6705 -2.6705 5.2561 5.2561 6.7404 6.7404 7.1173 7.1173 7.7350 7.7350 9.9861 9.9861 10.0189 10.0189 10.8021 10.8021 11.1376 11.1376 11.5211 11.5211 14.6227 14.6227 14.7565 14.7565 k = 0.5249 0.0829-0.0085 ( 2142 PWs) bands (ev): -50.4656 -50.4656 -26.2175 -26.2175 -23.7540 -23.7540 -23.6874 -23.6874 -3.6244 -3.6244 -2.6747 -2.6747 5.2396 5.2396 6.8149 6.8149 7.1095 7.1095 7.6654 7.6654 10.0651 10.0651 10.0840 10.0840 10.8224 10.8224 11.0886 11.0886 11.4611 11.4611 14.6677 14.6677 14.7654 14.7654 k = 0.5199 0.0920 0.0087 ( 2136 PWs) bands (ev): -50.4657 -50.4657 -26.2167 -26.2167 -23.7537 -23.7537 -23.6856 -23.6856 -3.6354 -3.6354 -2.6782 -2.6782 5.2260 5.2260 6.8879 6.8879 7.1032 7.1032 7.5961 7.5961 10.1324 10.1324 10.1438 10.1438 10.8446 10.8446 11.0436 11.0436 11.4027 11.4027 14.7062 14.7062 14.7729 14.7729 k = 0.5149 0.1010 0.0258 ( 2136 PWs) bands (ev): -50.4659 -50.4659 -26.2161 -26.2161 -23.7535 -23.7535 -23.6843 -23.6843 -3.6439 -3.6439 -2.6809 -2.6809 5.2155 5.2155 6.9575 6.9575 7.0986 7.0986 7.5290 7.5290 10.1864 10.1864 10.1961 10.1961 10.8666 10.8666 11.0064 11.0064 11.3477 11.3477 14.7368 14.7368 14.7793 14.7793 k = 0.5099 0.1101 0.0430 ( 2134 PWs) bands (ev): -50.4661 -50.4661 -26.2157 -26.2157 -23.7534 -23.7534 -23.6833 -23.6833 -3.6500 -3.6500 -2.6829 -2.6829 5.2079 5.2079 7.0192 7.0192 7.0964 7.0964 7.4678 7.4678 10.2260 10.2260 10.2374 10.2374 10.8828 10.8828 10.9832 10.9832 11.2999 11.2999 14.7577 14.7577 14.7856 14.7856 k = 0.5050 0.1191 0.0601 ( 2138 PWs) bands (ev): -50.4662 -50.4662 -26.2155 -26.2155 -23.7533 -23.7533 -23.6827 -23.6827 -3.6537 -3.6537 -2.6840 -2.6840 5.2033 5.2033 7.0623 7.0623 7.0999 7.0999 7.4203 7.4203 10.2501 10.2501 10.2643 10.2643 10.8875 10.8875 10.9776 10.9776 11.2653 11.2653 14.7684 14.7684 14.7915 14.7915 k = 0.5000 0.1282 0.0773 ( 2138 PWs) bands (ev): -50.4662 -50.4662 -26.2154 -26.2154 -23.7533 -23.7533 -23.6825 -23.6825 -3.6549 -3.6549 -2.6844 -2.6844 5.2018 5.2018 7.0742 7.0742 7.1068 7.1068 7.4010 7.4010 10.2582 10.2582 10.2736 10.2736 10.8870 10.8870 10.9790 10.9790 11.2523 11.2523 14.7713 14.7713 14.7941 14.7941 k = 0.5000 0.1282 0.0773 ( 2138 PWs) bands (ev): -50.4662 -50.4662 -26.2154 -26.2154 -23.7533 -23.7533 -23.6825 -23.6825 -3.6549 -3.6549 -2.6844 -2.6844 5.2018 5.2018 7.0742 7.0742 7.1068 7.1068 7.4010 7.4010 10.2582 10.2582 10.2736 10.2736 10.8870 10.8870 10.9790 10.9790 11.2523 11.2523 14.7713 14.7713 14.7941 14.7941 k = 0.4808 0.1233 0.0743 ( 2138 PWs) bands (ev): -50.4662 -50.4662 -26.2154 -26.2154 -23.7533 -23.7533 -23.6825 -23.6825 -3.6562 -3.6562 -2.6826 -2.6826 5.1964 5.1964 7.0741 7.0741 7.1068 7.1068 7.4084 7.4084 10.2582 10.2582 10.2736 10.2736 10.8873 10.8873 10.9794 10.9794 11.2503 11.2503 14.7709 14.7709 14.7937 14.7937 k = 0.4615 0.1183 0.0713 ( 2147 PWs) bands (ev): -50.4664 -50.4664 -26.2155 -26.2155 -23.7533 -23.7533 -23.6825 -23.6825 -3.6599 -3.6599 -2.6772 -2.6772 5.1805 5.1805 7.0739 7.0739 7.1066 7.1066 7.4303 7.4303 10.2581 10.2581 10.2734 10.2734 10.8884 10.8884 10.9805 10.9805 11.2441 11.2441 14.7696 14.7696 14.7925 14.7925 k = 0.4423 0.1134 0.0684 ( 2144 PWs) bands (ev): -50.4663 -50.4663 -26.2154 -26.2154 -23.7533 -23.7533 -23.6825 -23.6825 -3.6660 -3.6660 -2.6684 -2.6684 5.1547 5.1547 7.0736 7.0736 7.1062 7.1062 7.4659 7.4659 10.2578 10.2578 10.2732 10.2732 10.8901 10.8901 10.9823 10.9823 11.2338 11.2338 14.7675 14.7675 14.7904 14.7904 k = 0.4231 0.1085 0.0654 ( 2138 PWs) bands (ev): -50.4662 -50.4662 -26.2154 -26.2154 -23.7533 -23.7533 -23.6825 -23.6825 -3.6743 -3.6743 -2.6564 -2.6564 5.1203 5.1203 7.0732 7.0732 7.1058 7.1058 7.5142 7.5142 10.2575 10.2575 10.2728 10.2728 10.8926 10.8926 10.9849 10.9849 11.2194 11.2194 14.7646 14.7646 14.7876 14.7876 k = 0.4038 0.1036 0.0624 ( 2138 PWs) bands (ev): -50.4662 -50.4662 -26.2154 -26.2154 -23.7533 -23.7533 -23.6825 -23.6825 -3.6845 -3.6845 -2.6415 -2.6415 5.0784 5.0784 7.0727 7.0727 7.1052 7.1052 7.5738 7.5738 10.2571 10.2571 10.2724 10.2724 10.8956 10.8956 10.9881 10.9881 11.2009 11.2009 14.7610 14.7610 14.7841 14.7841 k = 0.3846 0.0986 0.0594 ( 2141 PWs) bands (ev): -50.4663 -50.4663 -26.2154 -26.2154 -23.7533 -23.7533 -23.6825 -23.6825 -3.6963 -3.6963 -2.6241 -2.6241 5.0306 5.0306 7.0721 7.0721 7.1045 7.1045 7.6434 7.6434 10.2566 10.2566 10.2719 10.2719 10.8992 10.8992 10.9919 10.9919 11.1782 11.1782 14.7566 14.7566 14.7798 14.7798 k = 0.3654 0.0937 0.0565 ( 2141 PWs) bands (ev): -50.4663 -50.4663 -26.2154 -26.2154 -23.7533 -23.7533 -23.6825 -23.6825 -3.7094 -3.7094 -2.6045 -2.6045 4.9781 4.9781 7.0714 7.0714 7.1038 7.1038 7.7216 7.7216 10.2560 10.2560 10.2713 10.2713 10.9032 10.9032 10.9963 10.9963 11.1515 11.1515 14.7516 14.7516 14.7750 14.7750 k = 0.3462 0.0888 0.0535 ( 2141 PWs) bands (ev): -50.4663 -50.4663 -26.2154 -26.2154 -23.7533 -23.7533 -23.6825 -23.6825 -3.7235 -3.7235 -2.5832 -2.5832 4.9223 4.9223 7.0706 7.0706 7.1029 7.1029 7.8071 7.8071 10.2554 10.2554 10.2707 10.2707 10.9076 10.9076 11.0012 11.0012 11.1206 11.1206 14.7461 14.7461 14.7696 14.7696 k = 0.3269 0.0838 0.0505 ( 2141 PWs) bands (ev): -50.4663 -50.4663 -26.2154 -26.2154 -23.7533 -23.7533 -23.6825 -23.6825 -3.7383 -3.7383 -2.5604 -2.5604 4.8644 4.8644 7.0698 7.0698 7.1020 7.1020 7.8987 7.8987 10.2547 10.2547 10.2700 10.2700 10.9121 10.9121 11.0065 11.0065 11.0859 11.0859 14.7400 14.7400 14.7637 14.7637 k = 0.3077 0.0789 0.0476 ( 2147 PWs) bands (ev): -50.4664 -50.4664 -26.2154 -26.2154 -23.7533 -23.7533 -23.6825 -23.6825 -3.7535 -3.7535 -2.5367 -2.5367 4.8054 4.8054 7.0689 7.0689 7.1010 7.1010 7.9953 7.9953 10.2540 10.2540 10.2693 10.2693 10.9164 10.9164 11.0121 11.0121 11.0475 11.0475 14.7336 14.7336 14.7575 14.7575 k = 0.2885 0.0740 0.0446 ( 2147 PWs) bands (ev): -50.4664 -50.4664 -26.2154 -26.2154 -23.7533 -23.7533 -23.6825 -23.6825 -3.7689 -3.7689 -2.5124 -2.5124 4.7463 4.7463 7.0680 7.0680 7.1000 7.1000 8.0961 8.0961 10.2531 10.2531 10.2686 10.2686 10.9194 10.9194 11.0065 11.0065 11.0180 11.0180 14.7269 14.7269 14.7509 14.7509 k = 0.2692 0.0690 0.0416 ( 2147 PWs) bands (ev): -50.4664 -50.4664 -26.2154 -26.2154 -23.7533 -23.7533 -23.6825 -23.6825 -3.7842 -3.7842 -2.4879 -2.4879 4.6878 4.6878 7.0670 7.0670 7.0990 7.0990 8.2002 8.2002 10.2522 10.2522 10.2679 10.2679 10.9156 10.9156 10.9683 10.9683 11.0241 11.0241 14.7200 14.7200 14.7442 14.7442 k = 0.2500 0.0641 0.0386 ( 2159 PWs) bands (ev): -50.4666 -50.4666 -26.2155 -26.2155 -23.7534 -23.7534 -23.6826 -23.6826 -3.7992 -3.7992 -2.4634 -2.4634 4.6307 4.6307 7.0660 7.0660 7.0979 7.0979 8.3069 8.3069 10.2512 10.2512 10.2672 10.2672 10.8871 10.8871 10.9510 10.9510 11.0302 11.0302 14.7129 14.7129 14.7374 14.7374 k = 0.2308 0.0592 0.0357 ( 2159 PWs) bands (ev): -50.4666 -50.4666 -26.2155 -26.2155 -23.7534 -23.7534 -23.6826 -23.6826 -3.8137 -3.8137 -2.4393 -2.4393 4.5756 4.5756 7.0650 7.0650 7.0968 7.0968 8.4154 8.4154 10.2501 10.2501 10.2665 10.2665 10.8374 10.8374 10.9509 10.9509 11.0364 11.0364 14.7059 14.7059 14.7305 14.7305 k = 0.2115 0.0542 0.0327 ( 2159 PWs) bands (ev): -50.4666 -50.4666 -26.2155 -26.2155 -23.7534 -23.7534 -23.6825 -23.6825 -3.8276 -3.8276 -2.4160 -2.4160 4.5230 4.5230 7.0640 7.0640 7.0958 7.0958 8.5252 8.5252 10.2489 10.2489 10.2658 10.2658 10.7799 10.7799 10.9548 10.9548 11.0424 11.0424 14.6990 14.6990 14.7238 14.7238 k = 0.1923 0.0493 0.0297 ( 2159 PWs) bands (ev): -50.4666 -50.4666 -26.2155 -26.2155 -23.7534 -23.7534 -23.6825 -23.6825 -3.8407 -3.8407 -2.3936 -2.3936 4.4735 4.4735 7.0631 7.0631 7.0948 7.0948 8.6356 8.6356 10.2473 10.2473 10.2651 10.2651 10.7179 10.7179 10.9595 10.9595 11.0483 11.0483 14.6923 14.6923 14.7173 14.7173 k = 0.1731 0.0444 0.0267 ( 2156 PWs) bands (ev): -50.4665 -50.4665 -26.2155 -26.2155 -23.7533 -23.7533 -23.6825 -23.6825 -3.8528 -3.8528 -2.3726 -2.3726 4.4275 4.4275 7.0622 7.0622 7.0938 7.0938 8.7461 8.7461 10.2454 10.2454 10.2646 10.2646 10.6524 10.6524 10.9645 10.9645 11.0539 11.0539 14.6859 14.6859 14.7111 14.7111 k = 0.1538 0.0394 0.0238 ( 2162 PWs) bands (ev): -50.4666 -50.4666 -26.2155 -26.2155 -23.7534 -23.7534 -23.6825 -23.6825 -3.8640 -3.8640 -2.3530 -2.3530 4.3853 4.3853 7.0614 7.0614 7.0929 7.0929 8.8559 8.8559 10.2427 10.2427 10.2640 10.2640 10.5843 10.5843 10.9693 10.9693 11.0591 11.0591 14.6799 14.6799 14.7052 14.7052 k = 0.1346 0.0345 0.0208 ( 2168 PWs) bands (ev): -50.4667 -50.4667 -26.2156 -26.2156 -23.7534 -23.7534 -23.6826 -23.6826 -3.8740 -3.8740 -2.3352 -2.3352 4.3472 4.3472 7.0606 7.0606 7.0921 7.0921 8.9645 8.9645 10.2386 10.2386 10.2635 10.2635 10.5147 10.5147 10.9738 10.9738 11.0639 11.0639 14.6744 14.6744 14.6999 14.6999 k = 0.1154 0.0296 0.0178 ( 2168 PWs) bands (ev): -50.4667 -50.4667 -26.2155 -26.2155 -23.7534 -23.7534 -23.6826 -23.6826 -3.8829 -3.8829 -2.3193 -2.3193 4.3137 4.3137 7.0599 7.0599 7.0913 7.0913 9.0708 9.0708 10.2317 10.2317 10.2631 10.2631 10.4459 10.4459 10.9779 10.9779 11.0683 11.0683 14.6694 14.6694 14.6950 14.6950 k = 0.0962 0.0247 0.0149 ( 2159 PWs) bands (ev): -50.4665 -50.4665 -26.2155 -26.2155 -23.7534 -23.7534 -23.6825 -23.6825 -3.8905 -3.8905 -2.3056 -2.3056 4.2849 4.2849 7.0593 7.0593 7.0907 7.0907 9.1738 9.1738 10.2187 10.2187 10.2627 10.2627 10.3822 10.3822 10.9815 10.9815 11.0720 11.0720 14.6651 14.6651 14.6908 14.6908 k = 0.0769 0.0197 0.0119 ( 2159 PWs) bands (ev): -50.4665 -50.4665 -26.2155 -26.2155 -23.7533 -23.7533 -23.6825 -23.6825 -3.8968 -3.8968 -2.2941 -2.2941 4.2611 4.2611 7.0588 7.0588 7.0901 7.0901 9.2715 9.2715 10.1926 10.1926 10.2624 10.2624 10.3321 10.3321 10.9845 10.9845 11.0752 11.0752 14.6614 14.6614 14.6873 14.6873 k = 0.0577 0.0148 0.0089 ( 2159 PWs) bands (ev): -50.4665 -50.4665 -26.2155 -26.2155 -23.7533 -23.7533 -23.6825 -23.6825 -3.9017 -3.9017 -2.2850 -2.2850 4.2423 4.2423 7.0584 7.0584 7.0897 7.0897 9.3611 9.3611 10.1494 10.1494 10.2622 10.2622 10.3026 10.3026 10.9869 10.9869 11.0777 11.0777 14.6586 14.6586 14.6845 14.6845 k = 0.0385 0.0099 0.0059 ( 2162 PWs) bands (ev): -50.4666 -50.4666 -26.2155 -26.2155 -23.7533 -23.7533 -23.6826 -23.6826 -3.9053 -3.9053 -2.2785 -2.2785 4.2288 4.2288 7.0581 7.0581 7.0894 7.0894 9.4373 9.4373 10.0991 10.0991 10.2620 10.2620 10.2888 10.2888 10.9887 10.9887 11.0795 11.0795 14.6565 14.6565 14.6825 14.6825 k = 0.0192 0.0049 0.0030 ( 2162 PWs) bands (ev): -50.4666 -50.4666 -26.2155 -26.2155 -23.7533 -23.7533 -23.6826 -23.6826 -3.9074 -3.9074 -2.2745 -2.2745 4.2207 4.2207 7.0579 7.0579 7.0892 7.0892 9.4914 9.4914 10.0583 10.0583 10.2619 10.2619 10.2829 10.2829 10.9897 10.9897 11.0806 11.0806 14.6552 14.6552 14.6812 14.6812 k = 0.0000 0.0000 0.0000 ( 2157 PWs) bands (ev): -50.4665 -50.4665 -26.2155 -26.2155 -23.7533 -23.7533 -23.6825 -23.6825 -3.9081 -3.9081 -2.2732 -2.2732 4.2180 4.2180 7.0579 7.0579 7.0891 7.0891 9.5115 9.5115 10.0422 10.0422 10.2619 10.2619 10.2813 10.2813 10.9901 10.9901 11.0810 11.0810 14.6548 14.6548 14.6808 14.6808 k = 0.0000 0.0000 0.0000 ( 2157 PWs) bands (ev): -50.4665 -50.4665 -26.2155 -26.2155 -23.7533 -23.7533 -23.6825 -23.6825 -3.9081 -3.9081 -2.2732 -2.2732 4.2180 4.2180 7.0579 7.0579 7.0891 7.0891 9.5115 9.5115 10.0422 10.0422 10.2619 10.2619 10.2813 10.2813 10.9901 10.9901 11.0810 11.0810 14.6548 14.6548 14.6808 14.6808 k = 0.0050-0.0091-0.0173 ( 2161 PWs) bands (ev): -50.4665 -50.4665 -26.2156 -26.2156 -23.7534 -23.7534 -23.6828 -23.6828 -3.9069 -3.9069 -2.2730 -2.2730 4.2196 4.2196 7.0564 7.0564 7.0879 7.0879 9.5137 9.5137 10.0409 10.0409 10.2537 10.2537 10.2745 10.2745 10.9962 10.9962 11.0862 11.0862 14.6517 14.6517 14.6779 14.6779 k = 0.0100-0.0183-0.0346 ( 2163 PWs) bands (ev): -50.4665 -50.4665 -26.2159 -26.2159 -23.7535 -23.7535 -23.6834 -23.6834 -3.9032 -3.9032 -2.2723 -2.2723 4.2243 4.2243 7.0506 7.0506 7.0858 7.0858 9.5202 9.5202 10.0365 10.0365 10.2298 10.2298 10.2554 10.2554 11.0133 11.0133 11.1015 11.1015 14.6412 14.6412 14.6707 14.6707 k = 0.0150-0.0274-0.0518 ( 2159 PWs) bands (ev): -50.4663 -50.4663 -26.2163 -26.2163 -23.7536 -23.7536 -23.6843 -23.6843 -3.8969 -3.8969 -2.2711 -2.2711 4.2321 4.2321 7.0377 7.0377 7.0857 7.0857 9.5306 9.5306 10.0271 10.0271 10.1925 10.1925 10.2275 10.2275 11.0387 11.0387 11.1263 11.1263 14.6212 14.6212 14.6620 14.6620 k = 0.0200-0.0365-0.0691 ( 2159 PWs) bands (ev): -50.4661 -50.4661 -26.2169 -26.2169 -23.7537 -23.7537 -23.6857 -23.6857 -3.8883 -3.8883 -2.2695 -2.2695 4.2431 4.2431 7.0171 7.0171 7.0885 7.0885 9.5440 9.5440 10.0093 10.0093 10.1448 10.1448 10.1959 10.1959 11.0688 11.0688 11.1596 11.1596 14.5921 14.5921 14.6522 14.6522 k = 0.0251-0.0456-0.0864 ( 2157 PWs) bands (ev): -50.4658 -50.4658 -26.2176 -26.2176 -23.7540 -23.7540 -23.6875 -23.6875 -3.8771 -3.8771 -2.2675 -2.2675 4.2571 4.2571 6.9899 6.9899 7.0937 7.0937 9.5594 9.5594 9.9776 9.9776 10.0900 10.0900 10.1677 10.1677 11.1014 11.1014 11.1998 11.1998 14.5559 14.5559 14.6409 14.6409 k = 0.0301-0.0548-0.1037 ( 2155 PWs) bands (ev): -50.4654 -50.4654 -26.2185 -26.2185 -23.7543 -23.7543 -23.6896 -23.6896 -3.8635 -3.8635 -2.2650 -2.2650 4.2742 4.2742 6.9572 6.9572 7.1006 7.1006 9.5753 9.5753 9.9284 9.9284 10.0314 10.0314 10.1479 10.1479 11.1350 11.1350 11.2451 11.2451 14.5145 14.5145 14.6274 14.6274 k = 0.0351-0.0639-0.1210 ( 2155 PWs) bands (ev): -50.4650 -50.4650 -26.2196 -26.2196 -23.7547 -23.7547 -23.6921 -23.6921 -3.8475 -3.8475 -2.2621 -2.2621 4.2944 4.2944 6.9197 6.9197 7.1089 7.1089 9.5889 9.5889 9.8630 9.8630 9.9722 9.9722 10.1366 10.1366 11.1690 11.1690 11.2936 11.2936 14.4699 14.4699 14.6115 14.6115 k = 0.0401-0.0730-0.1383 ( 2161 PWs) bands (ev): -50.4647 -50.4647 -26.2209 -26.2209 -23.7553 -23.7553 -23.6949 -23.6949 -3.8291 -3.8291 -2.2587 -2.2587 4.3176 4.3176 6.8783 6.8783 7.1183 7.1183 9.5960 9.5960 9.7853 9.7853 9.9168 9.9168 10.1311 10.1311 11.2033 11.2033 11.3435 11.3435 14.4238 14.4238 14.5931 14.5931 k = 0.0451-0.0822-0.1555 ( 2159 PWs) bands (ev): -50.4642 -50.4642 -26.2223 -26.2223 -23.7559 -23.7559 -23.6979 -23.6979 -3.8084 -3.8084 -2.2550 -2.2550 4.3437 4.3437 6.8336 6.8336 7.1287 7.1287 9.5897 9.5897 9.6992 9.6992 9.8716 9.8716 10.1292 10.1292 11.2379 11.2379 11.3936 11.3936 14.3779 14.3779 14.5719 14.5719 k = 0.0501-0.0913-0.1728 ( 2161 PWs) bands (ev): -50.4637 -50.4637 -26.2239 -26.2239 -23.7567 -23.7567 -23.7012 -23.7012 -3.7853 -3.7853 -2.2508 -2.2508 4.3727 4.3727 6.7864 6.7864 7.1398 7.1398 9.5602 9.5602 9.6095 9.6095 9.8436 9.8436 10.1295 10.1295 11.2728 11.2728 11.4426 11.4426 14.3339 14.3339 14.5480 14.5480 k = 0.0551-0.1004-0.1901 ( 2161 PWs) bands (ev): -50.4631 -50.4631 -26.2256 -26.2256 -23.7576 -23.7576 -23.7047 -23.7047 -3.7599 -3.7599 -2.2462 -2.2462 4.4046 4.4046 6.7371 6.7371 7.1513 7.1513 9.4920 9.4920 9.5320 9.5320 9.8339 9.8339 10.1312 10.1312 11.3082 11.3082 11.4897 11.4897 14.2935 14.2935 14.5212 14.5212 k = 0.0601-0.1096-0.2074 ( 2161 PWs) bands (ev): -50.4624 -50.4624 -26.2275 -26.2275 -23.7588 -23.7588 -23.7083 -23.7083 -3.7322 -3.7322 -2.2412 -2.2412 4.4393 4.4393 6.6863 6.6863 7.1630 7.1630 9.3941 9.3941 9.4644 9.4644 9.8366 9.8366 10.1339 10.1339 11.3442 11.3442 11.5340 11.5340 14.2581 14.2581 14.4917 14.4917 k = 0.0652-0.1187-0.2247 ( 2159 PWs) bands (ev): -50.4617 -50.4617 -26.2295 -26.2295 -23.7603 -23.7603 -23.7120 -23.7120 -3.7023 -3.7023 -2.2358 -2.2358 4.4767 4.4767 6.6346 6.6346 7.1745 7.1745 9.2891 9.2891 9.3915 9.3915 9.8448 9.8448 10.1372 10.1372 11.3810 11.3810 11.5748 11.5748 14.2291 14.2291 14.4595 14.4595 k = 0.0702-0.1278-0.2419 ( 2157 PWs) bands (ev): -50.4609 -50.4609 -26.2316 -26.2316 -23.7620 -23.7620 -23.7157 -23.7157 -3.6702 -3.6702 -2.2300 -2.2300 4.5168 4.5168 6.5823 6.5823 7.1855 7.1855 9.1812 9.1812 9.3139 9.3139 9.8544 9.8544 10.1410 10.1410 11.4185 11.4185 11.6117 11.6117 14.2077 14.2077 14.4245 14.4245 k = 0.0752-0.1369-0.2592 ( 2157 PWs) bands (ev): -50.4601 -50.4601 -26.2339 -26.2339 -23.7642 -23.7642 -23.7193 -23.7193 -3.6360 -3.6360 -2.2239 -2.2239 4.5595 4.5595 6.5300 6.5300 7.1954 7.1954 9.0718 9.0718 9.2334 9.2334 9.8626 9.8626 10.1451 10.1451 11.4570 11.4570 11.6442 11.6442 14.1949 14.1949 14.3871 14.3871 k = 0.0802-0.1461-0.2765 ( 2153 PWs) bands (ev): -50.4593 -50.4593 -26.2363 -26.2363 -23.7668 -23.7668 -23.7227 -23.7227 -3.5998 -3.5998 -2.2174 -2.2174 4.6047 4.6047 6.4779 6.4779 7.2036 7.2036 8.9620 8.9620 9.1511 9.1511 9.8679 9.8679 10.1496 10.1496 11.4965 11.4965 11.6721 11.6721 14.1916 14.1916 14.3472 14.3472 k = 0.0852-0.1552-0.2938 ( 2153 PWs) bands (ev): -50.4584 -50.4584 -26.2388 -26.2388 -23.7700 -23.7700 -23.7258 -23.7258 -3.5615 -3.5615 -2.2106 -2.2106 4.6523 4.6523 6.4263 6.4263 7.2095 7.2095 8.8529 8.8529 9.0676 9.0676 9.8692 9.8692 10.1544 10.1544 11.5371 11.5371 11.6954 11.6954 14.1982 14.1982 14.3052 14.3052 k = 0.0902-0.1643-0.3111 ( 2155 PWs) bands (ev): -50.4575 -50.4575 -26.2415 -26.2415 -23.7738 -23.7738 -23.7286 -23.7286 -3.5213 -3.5213 -2.2034 -2.2034 4.7022 4.7022 6.3757 6.3757 7.2122 7.2122 8.7456 8.7456 8.9835 8.9835 9.8657 9.8657 10.1594 10.1594 11.5786 11.5786 11.7145 11.7146 14.2145 14.2145 14.2617 14.2617 k = 0.0952-0.1735-0.3283 ( 2149 PWs) bands (ev): -50.4565 -50.4565 -26.2442 -26.2442 -23.7780 -23.7780 -23.7311 -23.7311 -3.4792 -3.4792 -2.1959 -2.1959 4.7544 4.7544 6.3262 6.3262 7.2107 7.2107 8.6412 8.6412 8.8992 8.8992 9.8569 9.8569 10.1649 10.1649 11.6207 11.6207 11.7302 11.7302 14.2121 14.2121 14.2452 14.2452 k = 0.1002-0.1826-0.3456 ( 2151 PWs) bands (ev): -50.4556 -50.4556 -26.2471 -26.2471 -23.7828 -23.7828 -23.7333 -23.7333 -3.4352 -3.4352 -2.1881 -2.1881 4.8087 4.8087 6.2780 6.2780 7.2039 7.2039 8.5410 8.5410 8.8149 8.8149 9.8422 9.8422 10.1707 10.1707 11.6623 11.6623 11.7442 11.7442 14.1658 14.1658 14.2809 14.2809 k = 0.1052-0.1917-0.3629 ( 2151 PWs) bands (ev): -50.4546 -50.4546 -26.2501 -26.2501 -23.7881 -23.7881 -23.7352 -23.7352 -3.3895 -3.3895 -2.1800 -2.1800 4.8649 4.8649 6.2313 6.2313 7.1906 7.1906 8.4462 8.4462 8.7310 8.7310 9.8216 9.8216 10.1772 10.1772 11.6994 11.6994 11.7611 11.7611 14.1168 14.1168 14.3272 14.3272 k = 0.1103-0.2009-0.3802 ( 2149 PWs) bands (ev): -50.4535 -50.4535 -26.2531 -26.2531 -23.7938 -23.7938 -23.7368 -23.7368 -3.3422 -3.3422 -2.1717 -2.1717 4.9231 4.9231 6.1864 6.1864 7.1695 7.1695 8.3583 8.3583 8.6476 8.6476 9.7948 9.7948 10.1843 10.1843 11.7236 11.7236 11.7899 11.7899 14.0665 14.0665 14.3823 14.3823 k = 0.1153-0.2100-0.3975 ( 2149 PWs) bands (ev): -50.4525 -50.4525 -26.2562 -26.2562 -23.7999 -23.7999 -23.7382 -23.7382 -3.2933 -3.2933 -2.1630 -2.1630 4.9829 4.9829 6.1434 6.1434 7.1393 7.1393 8.2782 8.2782 8.5649 8.5649 9.7620 9.7620 10.1923 10.1923 11.7344 11.7344 11.8317 11.8317 14.0153 14.0153 14.4453 14.4453 k = 0.1203-0.2191-0.4148 ( 2151 PWs) bands (ev): -50.4515 -50.4515 -26.2594 -26.2594 -23.8062 -23.8062 -23.7394 -23.7394 -3.2428 -3.2428 -2.1541 -2.1541 5.0444 5.0444 6.1023 6.1023 7.0994 7.0994 8.2069 8.2069 8.4832 8.4832 9.7232 9.7232 10.2015 10.2015 11.7389 11.7389 11.8801 11.8801 13.9634 13.9634 14.5152 14.5152 k = 0.1253-0.2282-0.4320 ( 2151 PWs) bands (ev): -50.4504 -50.4504 -26.2627 -26.2627 -23.8128 -23.8128 -23.7405 -23.7405 -3.1910 -3.1910 -2.1449 -2.1449 5.1073 5.1073 6.0633 6.0633 7.0492 7.0492 8.1445 8.1445 8.4026 8.4026 9.6787 9.6787 10.2119 10.2119 11.7409 11.7409 11.9316 11.9316 13.9111 13.9111 14.5912 14.5912 k = 0.1303-0.2374-0.4493 ( 2147 PWs) bands (ev): -50.4492 -50.4492 -26.2660 -26.2660 -23.8195 -23.8195 -23.7415 -23.7415 -3.1379 -3.1379 -2.1354 -2.1354 5.1714 5.1714 6.0264 6.0264 6.9894 6.9894 8.0906 8.0906 8.3234 8.3234 9.6289 9.6289 10.2240 10.2240 11.7418 11.7418 11.9853 11.9853 13.8587 13.8587 14.6722 14.6722 k = 0.1353-0.2465-0.4666 ( 2147 PWs) bands (ev): -50.4481 -50.4481 -26.2693 -26.2693 -23.8263 -23.8263 -23.7425 -23.7425 -3.0835 -3.0835 -2.1258 -2.1258 5.2364 5.2364 5.9918 5.9918 6.9207 6.9207 8.0441 8.0441 8.2458 8.2458 9.5741 9.5741 10.2378 10.2378 11.7423 11.7423 12.0407 12.0407 13.8064 13.8064 14.7574 14.7574 k = 0.1403-0.2556-0.4839 ( 2143 PWs) bands (ev): -50.4469 -50.4469 -26.2727 -26.2727 -23.8332 -23.8332 -23.7434 -23.7434 -3.0281 -3.0281 -2.1159 -2.1159 5.3023 5.3023 5.9595 5.9595 6.8447 6.8447 8.0033 8.0033 8.1703 8.1703 9.5149 9.5149 10.2537 10.2537 11.7426 11.7426 12.0973 12.0973 13.7545 13.7545 14.8459 14.8459 k = 0.1453-0.2648-0.5012 ( 2147 PWs) bands (ev): -50.4459 -50.4459 -26.2762 -26.2762 -23.8402 -23.8402 -23.7443 -23.7443 -2.9716 -2.9716 -2.1057 -2.1057 5.3685 5.3685 5.9294 5.9294 6.7631 6.7631 7.9660 7.9660 8.0973 8.0973 9.4516 9.4516 10.2720 10.2720 11.7431 11.7431 12.1550 12.1550 13.7032 13.7032 14.9368 14.9368 k = 0.1504-0.2739-0.5184 ( 2147 PWs) bands (ev): -50.4448 -50.4448 -26.2796 -26.2796 -23.8472 -23.8472 -23.7451 -23.7451 -2.9144 -2.9144 -2.0953 -2.0953 5.4347 5.4347 5.9016 5.9016 6.6778 6.6778 7.9295 7.9295 8.0283 8.0283 9.3849 9.3849 10.2927 10.2927 11.7438 11.7438 12.2135 12.2135 13.6528 13.6528 15.0293 15.0293 k = 0.1554-0.2830-0.5357 ( 2151 PWs) bands (ev): -50.4437 -50.4437 -26.2831 -26.2831 -23.8542 -23.8542 -23.7460 -23.7460 -2.8563 -2.8563 -2.0848 -2.0848 5.5002 5.5002 5.8761 5.8761 6.5907 6.5907 7.8896 7.8896 7.9660 7.9660 9.3151 9.3151 10.3162 10.3162 11.7448 11.7448 12.2725 12.2725 13.6036 13.6036 15.1226 15.1226 k = 0.1604-0.2922-0.5530 ( 2155 PWs) bands (ev): -50.4426 -50.4426 -26.2865 -26.2865 -23.8611 -23.8611 -23.7468 -23.7468 -2.7977 -2.7977 -2.0740 -2.0740 5.5641 5.5641 5.8528 5.8528 6.5038 6.5038 7.8414 7.8414 7.9142 7.9142 9.2429 9.2429 10.3426 10.3426 11.7461 11.7461 12.3317 12.3317 13.5557 13.5557 15.2159 15.2159 k = 0.1654-0.3013-0.5703 ( 2153 PWs) bands (ev): -50.4415 -50.4415 -26.2899 -26.2899 -23.8679 -23.8679 -23.7477 -23.7477 -2.7385 -2.7385 -2.0630 -2.0630 5.6248 5.6248 5.8318 5.8318 6.4196 6.4196 7.7848 7.7848 7.8721 7.8721 9.1686 9.1686 10.3719 10.3719 11.7476 11.7476 12.3908 12.3908 13.5095 13.5095 15.3086 15.3086 k = 0.1704-0.3104-0.5876 ( 2151 PWs) bands (ev): -50.4404 -50.4404 -26.2933 -26.2933 -23.8746 -23.8746 -23.7485 -23.7485 -2.6791 -2.6791 -2.0518 -2.0518 5.6797 5.6797 5.8130 5.8130 6.3414 6.3414 7.7248 7.7248 7.8342 7.8342 9.0927 9.0927 10.4043 10.4043 11.7493 11.7493 12.4493 12.4493 13.4651 13.4651 15.3998 15.3998 k = 0.1754-0.3195-0.6049 ( 2155 PWs) bands (ev): -50.4393 -50.4393 -26.2967 -26.2967 -23.8813 -23.8813 -23.7494 -23.7494 -2.6195 -2.6195 -2.0403 -2.0403 5.7240 5.7240 5.7967 5.7967 6.2744 6.2744 7.6648 7.6648 7.7965 7.7965 9.0156 9.0156 10.4396 10.4396 11.7512 11.7512 12.5069 12.5069 13.4229 13.4229 15.4887 15.4887 k = 0.1804-0.3287-0.6221 ( 2151 PWs) bands (ev): -50.4382 -50.4382 -26.3000 -26.3000 -23.8877 -23.8877 -23.7503 -23.7503 -2.5599 -2.5599 -2.0287 -2.0287 5.7496 5.7496 5.7834 5.7834 6.2264 6.2264 7.6062 7.6062 7.7574 7.7574 8.9377 8.9377 10.4779 10.4779 11.7532 11.7532 12.5631 12.5631 13.3831 13.3831 15.5748 15.5748 k = 0.1854-0.3378-0.6394 ( 2147 PWs) bands (ev): -50.4371 -50.4371 -26.3032 -26.3032 -23.8941 -23.8941 -23.7512 -23.7512 -2.5004 -2.5004 -2.0169 -2.0169 5.7493 5.7493 5.7716 5.7716 6.2061 6.2061 7.5499 7.5499 7.7159 7.7159 8.8593 8.8593 10.5189 10.5189 11.7552 11.7552 12.6173 12.6173 13.3459 13.3459 15.6572 15.6572 k = 0.1904-0.3469-0.6567 ( 2149 PWs) bands (ev): -50.4361 -50.4361 -26.3065 -26.3065 -23.9002 -23.9002 -23.7522 -23.7522 -2.4412 -2.4412 -2.0049 -2.0049 5.7254 5.7254 5.7568 5.7568 6.2163 6.2163 7.4962 7.4962 7.6717 7.6717 8.7807 8.7807 10.5625 10.5625 11.7573 11.7573 12.6691 12.6691 13.3118 13.3118 15.7351 15.7351 k = 0.1955-0.3561-0.6740 ( 2151 PWs) bands (ev): -50.4351 -50.4351 -26.3096 -26.3096 -23.9062 -23.9062 -23.7532 -23.7532 -2.3826 -2.3826 -1.9927 -1.9927 5.6790 5.6790 5.7446 5.7446 6.2500 6.2500 7.4456 7.4456 7.6246 7.6246 8.7023 8.7023 10.6084 10.6084 11.7594 11.7594 12.7179 12.7179 13.2810 13.2810 15.8079 15.8079 k = 0.2005-0.3652-0.6913 ( 2149 PWs) bands (ev): -50.4341 -50.4341 -26.3127 -26.3127 -23.9120 -23.9120 -23.7542 -23.7542 -2.3247 -2.3247 -1.9803 -1.9803 5.6198 5.6198 5.7348 5.7348 6.2979 6.2979 7.3982 7.3982 7.5746 7.5746 8.6242 8.6242 10.6563 10.6563 11.7615 11.7615 12.7630 12.7630 13.2538 13.2538 15.8749 15.8749 k = 0.2055-0.3743-0.7085 ( 2151 PWs) bands (ev): -50.4331 -50.4331 -26.3157 -26.3157 -23.9176 -23.9176 -23.7552 -23.7552 -2.2677 -2.2677 -1.9677 -1.9677 5.5553 5.5553 5.7263 5.7263 6.3534 6.3534 7.3543 7.3543 7.5219 7.5219 8.5467 8.5467 10.7059 10.7059 11.7636 11.7636 12.8038 12.8038 13.2306 13.2306 15.9352 15.9352 k = 0.2105-0.3835-0.7258 ( 2139 PWs) bands (ev): -50.4320 -50.4320 -26.3185 -26.3185 -23.9229 -23.9229 -23.7562 -23.7562 -2.2118 -2.2118 -1.9549 -1.9549 5.4896 5.4896 5.7187 5.7187 6.4126 6.4126 7.3142 7.3142 7.4667 7.4667 8.4700 8.4700 10.7567 10.7567 11.7658 11.7658 12.8398 12.8398 13.2116 13.2116 15.9883 15.9883 k = 0.2155-0.3926-0.7431 ( 2139 PWs) bands (ev): -50.4311 -50.4311 -26.3213 -26.3213 -23.9280 -23.9280 -23.7573 -23.7573 -2.1573 -2.1573 -1.9418 -1.9418 5.4250 5.4250 5.7117 5.7117 6.4732 6.4732 7.2779 7.2779 7.4093 7.4093 8.3943 8.3943 10.8084 10.8084 11.7681 11.7681 12.8706 12.8706 13.1969 13.1969 16.0334 16.0334 k = 0.2205-0.4017-0.7604 ( 2139 PWs) bands (ev): -50.4302 -50.4302 -26.3240 -26.3240 -23.9329 -23.9329 -23.7584 -23.7584 -2.1043 -2.1043 -1.9286 -1.9286 5.3630 5.3630 5.7050 5.7050 6.5335 6.5335 7.2455 7.2455 7.3506 7.3506 8.3198 8.3198 10.8606 10.8606 11.7705 11.7705 12.8959 12.8959 13.1867 13.1867 16.0701 16.0701 k = 0.2255-0.4108-0.7777 ( 2143 PWs) bands (ev): -50.4294 -50.4294 -26.3266 -26.3266 -23.9376 -23.9376 -23.7595 -23.7595 -2.0532 -2.0532 -1.9150 -1.9150 5.3046 5.3046 5.6984 5.6984 6.5922 6.5922 7.2166 7.2166 7.2917 7.2917 8.2465 8.2465 10.9129 10.9129 11.7731 11.7731 12.9157 12.9157 13.1808 13.1808 16.0977 16.0977 k = 0.2305-0.4200-0.7950 ( 2143 PWs) bands (ev): -50.4286 -50.4286 -26.3290 -26.3290 -23.9420 -23.9420 -23.7606 -23.7606 -2.0043 -2.0043 -1.9010 -1.9010 5.2503 5.2503 5.6918 5.6918 6.6477 6.6477 7.1886 7.1886 7.2365 7.2365 8.1747 8.1747 10.9649 10.9649 11.7760 11.7760 12.9301 12.9301 13.1788 13.1788 16.1159 16.1159 k = 0.2356-0.4291-0.8122 ( 2137 PWs) bands (ev): -50.4278 -50.4278 -26.3313 -26.3313 -23.9462 -23.9462 -23.7618 -23.7618 -1.9580 -1.9580 -1.8863 -1.8863 5.2008 5.2008 5.6848 5.6848 6.6979 6.6979 7.1519 7.1519 7.1968 7.1968 8.1044 8.1044 11.0161 11.0161 11.7792 11.7792 12.9390 12.9390 13.1807 13.1807 16.1245 16.1245 k = 0.2406-0.4382-0.8295 ( 2139 PWs) bands (ev): -50.4271 -50.4271 -26.3336 -26.3336 -23.9501 -23.9501 -23.7629 -23.7629 -1.9157 -1.9157 -1.8698 -1.8698 5.1564 5.1564 5.6775 5.6775 6.7387 6.7387 7.1059 7.1059 7.1770 7.1770 8.0359 8.0359 11.0663 11.0663 11.7828 11.7828 12.9421 12.9421 13.1869 13.1869 16.1233 16.1233 k = 0.2456-0.4474-0.8468 ( 2141 PWs) bands (ev): -50.4264 -50.4264 -26.3357 -26.3357 -23.9537 -23.9537 -23.7641 -23.7641 -1.8809 -1.8809 -1.8481 -1.8481 5.1174 5.1174 5.6696 5.6696 6.7627 6.7627 7.0679 7.0679 7.1670 7.1670 7.9691 7.9691 11.1152 11.1152 11.7870 11.7870 12.9386 12.9386 13.1981 13.1981 16.1123 16.1123 k = 0.2506-0.4565-0.8641 ( 2139 PWs) bands (ev): -50.4257 -50.4257 -26.3376 -26.3376 -23.9571 -23.9571 -23.7652 -23.7652 -1.8576 -1.8576 -1.8176 -1.8176 5.0843 5.0843 5.6611 5.6611 6.7601 6.7601 7.0513 7.0513 7.1633 7.1633 7.9043 7.9043 11.1626 11.1626 11.7917 11.7917 12.9275 12.9275 13.2153 13.2153 16.0918 16.0918 k = 0.2556-0.4656-0.8814 ( 2141 PWs) bands (ev): -50.4252 -50.4252 -26.3395 -26.3395 -23.9602 -23.9602 -23.7664 -23.7664 -1.8404 -1.8404 -1.7837 -1.7837 5.0572 5.0572 5.6520 5.6520 6.7281 6.7281 7.0595 7.0595 7.1649 7.1649 7.8415 7.8415 11.2084 11.2084 11.7971 11.7971 12.9081 12.9081 13.2396 13.2396 16.0620 16.0620 k = 0.2606-0.4748-0.8986 ( 2143 PWs) bands (ev): -50.4246 -50.4246 -26.3412 -26.3412 -23.9631 -23.9631 -23.7675 -23.7675 -1.8250 -1.8250 -1.7509 -1.7509 5.0363 5.0363 5.6424 5.6424 6.6754 6.6754 7.0840 7.0840 7.1713 7.1713 7.7811 7.7811 11.2525 11.2525 11.8032 11.8032 12.8801 12.8801 13.2712 13.2712 16.0235 16.0235 k = 0.2656-0.4839-0.9159 ( 2143 PWs) bands (ev): -50.4241 -50.4241 -26.3427 -26.3427 -23.9657 -23.9657 -23.7687 -23.7687 -1.8103 -1.8103 -1.7205 -1.7205 5.0218 5.0218 5.6322 5.6322 6.6112 6.6112 7.1156 7.1156 7.1820 7.1820 7.7233 7.7233 11.2951 11.2951 11.8102 11.8102 12.8438 12.8438 13.3103 13.3103 15.9768 15.9768 k = 0.2706-0.4930-0.9332 ( 2141 PWs) bands (ev): -50.4236 -50.4236 -26.3442 -26.3442 -23.9681 -23.9681 -23.7698 -23.7698 -1.7958 -1.7958 -1.6931 -1.6931 5.0137 5.0137 5.6218 5.6218 6.5408 6.5408 7.1490 7.1490 7.1965 7.1965 7.6685 7.6685 11.3362 11.3362 11.8181 11.8181 12.7997 12.7997 13.3566 13.3566 15.9226 15.9226 k = 0.2756-0.5021-0.9505 ( 2141 PWs) bands (ev): -50.4231 -50.4231 -26.3455 -26.3455 -23.9702 -23.9702 -23.7708 -23.7708 -1.7815 -1.7815 -1.6688 -1.6688 5.0123 5.0123 5.6111 5.6111 6.4669 6.4669 7.1815 7.1815 7.2138 7.2138 7.6176 7.6176 11.3760 11.3760 11.8269 11.8269 12.7484 12.7484 13.4096 13.4096 15.8616 15.8616 k = 0.2807-0.5113-0.9678 ( 2143 PWs) bands (ev): -50.4227 -50.4227 -26.3467 -26.3467 -23.9721 -23.9721 -23.7719 -23.7719 -1.7673 -1.7673 -1.6478 -1.6478 5.0174 5.0174 5.6004 5.6004 6.3910 6.3910 7.2115 7.2115 7.2325 7.2325 7.5718 7.5718 11.4148 11.4148 11.8368 11.8368 12.6907 12.6907 13.4689 13.4689 15.7946 15.7946 k = 0.2857-0.5204-0.9850 ( 2141 PWs) bands (ev): -50.4223 -50.4223 -26.3477 -26.3477 -23.9737 -23.9737 -23.7728 -23.7728 -1.7531 -1.7531 -1.6301 -1.6301 5.0290 5.0290 5.5899 5.5899 6.3138 6.3138 7.2372 7.2372 7.2506 7.2506 7.5337 7.5337 11.4528 11.4528 11.8478 11.8478 12.6275 12.6275 13.5340 13.5340 15.7224 15.7224 k = 0.2907-0.5295-1.0023 ( 2145 PWs) bands (ev): -50.4221 -50.4221 -26.3486 -26.3486 -23.9751 -23.9751 -23.7738 -23.7738 -1.7391 -1.7391 -1.6158 -1.6158 5.0471 5.0471 5.5798 5.5798 6.2361 6.2361 7.2528 7.2528 7.2693 7.2693 7.5075 7.5075 11.4902 11.4902 11.8599 11.8599 12.5595 12.5595 13.6044 13.6044 15.6457 15.6457 k = 0.2957-0.5387-1.0196 ( 2147 PWs) bands (ev): -50.4218 -50.4218 -26.3495 -26.3495 -23.9764 -23.9764 -23.7746 -23.7746 -1.7252 -1.7252 -1.6048 -1.6048 5.0715 5.0715 5.5702 5.5702 6.1584 6.1584 7.2522 7.2522 7.2890 7.2890 7.4980 7.4980 11.5273 11.5273 11.8732 11.8732 12.4877 12.4877 13.6797 13.6797 15.5654 15.5654 k = 0.3007-0.5478-1.0369 ( 2145 PWs) bands (ev): -50.4215 -50.4215 -26.3501 -26.3501 -23.9774 -23.9774 -23.7754 -23.7754 -1.7115 -1.7115 -1.5970 -1.5970 5.1019 5.1019 5.5614 5.5614 6.0811 6.0811 7.2366 7.2366 7.3063 7.3063 7.5070 7.5070 11.5640 11.5640 11.8874 11.8874 12.4131 12.4131 13.7593 13.7593 15.4821 15.4821 k = 0.3057-0.5569-1.0542 ( 2145 PWs) bands (ev): -50.4213 -50.4213 -26.3507 -26.3507 -23.9782 -23.9782 -23.7761 -23.7761 -1.6980 -1.6980 -1.5924 -1.5924 5.1378 5.1378 5.5536 5.5536 6.0048 6.0048 7.2102 7.2102 7.3200 7.3200 7.5310 7.5310 11.6002 11.6002 11.9027 11.9027 12.3367 12.3367 13.8428 13.8428 15.3967 15.3967 k = 0.3107-0.5661-1.0715 ( 2145 PWs) bands (ev): -50.4212 -50.4212 -26.3512 -26.3512 -23.9788 -23.9788 -23.7767 -23.7767 -1.6848 -1.6848 -1.5908 -1.5908 5.1786 5.1786 5.5469 5.5469 5.9302 5.9302 7.1778 7.1778 7.3298 7.3298 7.5654 7.5654 11.6355 11.6355 11.9187 11.9187 12.2602 12.2602 13.9296 13.9296 15.3099 15.3099 k = 0.3157-0.5752-1.0887 ( 2147 PWs) bands (ev): -50.4211 -50.4211 -26.3515 -26.3515 -23.9793 -23.9793 -23.7772 -23.7772 -1.6721 -1.6721 -1.5919 -1.5919 5.2229 5.2229 5.5416 5.5416 5.8586 5.8586 7.1426 7.1426 7.3357 7.3357 7.6065 7.6065 11.6686 11.6686 11.9349 11.9349 12.1859 12.1859 14.0194 14.0194 15.2223 15.2223 k = 0.3208-0.5843-1.1060 ( 2143 PWs) bands (ev): -50.4209 -50.4209 -26.3518 -26.3518 -23.9796 -23.9796 -23.7776 -23.7776 -1.6599 -1.6599 -1.5954 -1.5954 5.2686 5.2686 5.5377 5.5377 5.7922 5.7922 7.1065 7.1065 7.3378 7.3378 7.6522 7.6522 11.6969 11.6969 11.9501 11.9501 12.1182 12.1182 14.1117 14.1117 15.1347 15.1347 k = 0.3258-0.5934-1.1233 ( 2141 PWs) bands (ev): -50.4208 -50.4208 -26.3519 -26.3519 -23.9798 -23.9798 -23.7779 -23.7779 -1.6491 -1.6491 -1.6005 -1.6005 5.3111 5.3111 5.5354 5.5354 5.7353 5.7353 7.0706 7.0706 7.3362 7.3362 7.7012 7.7012 11.7147 11.7147 11.9607 11.9607 12.0669 12.0669 14.2061 14.2061 15.0477 15.0477 k = 0.3308-0.6026-1.1406 ( 2139 PWs) bands (ev): -50.4207 -50.4207 -26.3520 -26.3520 -23.9799 -23.9799 -23.7780 -23.7780 -1.6415 -1.6415 -1.6053 -1.6053 5.3417 5.3417 5.5349 5.5349 5.6966 5.6966 7.0354 7.0354 7.3311 7.3311 7.7525 7.7525 11.7117 11.7117 11.9629 11.9629 12.0464 12.0464 14.3021 14.3021 14.9620 14.9620 k = 0.3358-0.6117-1.1579 ( 2139 PWs) bands (ev): -50.4207 -50.4207 -26.3520 -26.3520 -23.9799 -23.9799 -23.7780 -23.7780 -1.6414 -1.6414 -1.6051 -1.6051 5.3474 5.3474 5.5360 5.5360 5.6890 5.6890 7.0013 7.0013 7.3228 7.3228 7.8054 7.8054 11.6796 11.6796 11.9682 11.9682 12.0536 12.0536 14.3995 14.3995 14.8784 14.8784 k = 0.3408-0.6208-1.1751 ( 2141 PWs) bands (ev): -50.4208 -50.4208 -26.3519 -26.3519 -23.9799 -23.9799 -23.7779 -23.7779 -1.6500 -1.6500 -1.5985 -1.5985 5.3229 5.3229 5.5386 5.5386 5.7179 5.7179 6.9685 6.9685 7.3115 7.3115 7.8594 7.8594 11.6234 11.6234 11.9871 11.9871 12.0731 12.0731 14.4976 14.4976 14.7975 14.7975 k = 0.6592-0.4926-1.0979 ( 2141 PWs) bands (ev): -50.4208 -50.4208 -26.3519 -26.3519 -23.9799 -23.9799 -23.7779 -23.7779 -1.6500 -1.6500 -1.5985 -1.5985 5.3229 5.3229 5.5386 5.5386 5.7179 5.7179 6.9685 6.9685 7.3115 7.3115 7.8594 7.8594 11.6234 11.6234 11.9871 11.9871 12.0731 12.0731 14.4976 14.4976 14.7975 14.7975 k = 0.6542-0.4732-1.0979 ( 2145 PWs) bands (ev): -50.4209 -50.4209 -26.3518 -26.3518 -23.9797 -23.9797 -23.7776 -23.7776 -1.6637 -1.6637 -1.5891 -1.5891 5.2772 5.2772 5.5429 5.5429 5.7738 5.7738 6.9375 6.9375 7.2976 7.2976 7.9137 7.9137 11.5544 11.5544 12.0146 12.0146 12.0985 12.0985 14.5954 14.5954 14.7208 14.7208 k = 0.6492-0.4538-1.0979 ( 2153 PWs) bands (ev): -50.4211 -50.4211 -26.3517 -26.3517 -23.9796 -23.9796 -23.7772 -23.7772 -1.6802 -1.6802 -1.5789 -1.5789 5.2205 5.2205 5.5489 5.5489 5.8460 5.8460 6.9081 6.9081 7.2815 7.2815 7.9682 7.9682 11.4792 11.4792 12.0448 12.0448 12.1288 12.1288 14.6462 14.6462 14.6952 14.6952 k = 0.6443-0.4344-1.0979 ( 2153 PWs) bands (ev): -50.4212 -50.4212 -26.3514 -26.3514 -23.9794 -23.9794 -23.7766 -23.7766 -1.6986 -1.6986 -1.5686 -1.5686 5.1587 5.1587 5.5568 5.5568 5.9285 5.9285 6.8804 6.8804 7.2634 7.2634 8.0224 8.0224 11.4013 11.4013 12.0739 12.0739 12.1641 12.1641 14.5790 14.5790 14.7922 14.7922 k = 0.6393-0.4150-1.0979 ( 2153 PWs) bands (ev): -50.4213 -50.4213 -26.3511 -26.3511 -23.9791 -23.9791 -23.7758 -23.7758 -1.7185 -1.7185 -1.5585 -1.5585 5.0948 5.0948 5.5665 5.5665 6.0178 6.0178 6.8545 6.8545 7.2439 7.2439 8.0759 8.0759 11.3223 11.3223 12.1002 12.1002 12.2040 12.2040 14.5166 14.5166 14.8894 14.8894 k = 0.6343-0.3956-1.0979 ( 2147 PWs) bands (ev): -50.4214 -50.4214 -26.3507 -26.3507 -23.9788 -23.9788 -23.7749 -23.7749 -1.7397 -1.7397 -1.5486 -1.5486 5.0302 5.0302 5.5778 5.5778 6.1120 6.1120 6.8306 6.8306 7.2234 7.2234 8.1284 8.1284 11.2434 11.2434 12.1234 12.1234 12.2474 12.2474 14.4602 14.4602 14.9857 14.9857 k = 0.6293-0.3762-1.0979 ( 2157 PWs) bands (ev): -50.4217 -50.4217 -26.3504 -26.3504 -23.9786 -23.9786 -23.7739 -23.7739 -1.7618 -1.7618 -1.5390 -1.5390 4.9660 4.9660 5.5907 5.5907 6.2098 6.2098 6.8088 6.8088 7.2026 7.2026 8.1795 8.1795 11.1649 11.1649 12.1437 12.1437 12.2932 12.2932 14.4108 14.4108 15.0806 15.0806 k = 0.6244-0.3568-1.0979 ( 2154 PWs) bands (ev): -50.4219 -50.4219 -26.3500 -26.3500 -23.9784 -23.9784 -23.7726 -23.7726 -1.7846 -1.7846 -1.5298 -1.5298 4.9025 4.9025 5.6050 5.6050 6.3097 6.3097 6.7892 6.7892 7.1822 7.1822 8.2287 8.2287 11.0873 11.0873 12.1613 12.1613 12.3403 12.3403 14.3688 14.3688 15.1738 15.1738 k = 0.6194-0.3374-1.0979 ( 2156 PWs) bands (ev): -50.4221 -50.4221 -26.3495 -26.3495 -23.9781 -23.9781 -23.7713 -23.7713 -1.8080 -1.8080 -1.5210 -1.5210 4.8402 4.8402 5.6206 5.6206 6.4103 6.4103 6.7721 6.7721 7.1636 7.1636 8.2756 8.2756 11.0109 11.0109 12.1764 12.1764 12.3881 12.3881 14.3348 14.3348 15.2648 15.2648 k = 0.6144-0.3180-1.0979 ( 2148 PWs) bands (ev): -50.4222 -50.4222 -26.3490 -26.3490 -23.9779 -23.9779 -23.7698 -23.7698 -1.8317 -1.8317 -1.5126 -1.5126 4.7793 4.7793 5.6373 5.6373 6.5093 6.5093 6.7575 6.7575 7.1486 7.1486 8.3198 8.3198 10.9356 10.9356 12.1889 12.1889 12.4359 12.4359 14.3094 14.3094 15.3533 15.3533 k = 0.6094-0.2986-1.0979 ( 2148 PWs) bands (ev): -50.4224 -50.4224 -26.3485 -26.3485 -23.9777 -23.9777 -23.7682 -23.7682 -1.8556 -1.8556 -1.5046 -1.5046 4.7200 4.7200 5.6548 5.6548 6.6029 6.6029 6.7461 6.7461 7.1404 7.1404 8.3611 8.3611 10.8616 10.8616 12.1991 12.1991 12.4834 12.4834 14.2926 14.2926 15.4388 15.4388 k = 0.6045-0.2792-1.0979 ( 2146 PWs) bands (ev): -50.4226 -50.4226 -26.3480 -26.3480 -23.9776 -23.9776 -23.7664 -23.7664 -1.8796 -1.8796 -1.4971 -1.4971 4.6625 4.6625 5.6730 5.6730 6.6830 6.6830 6.7405 6.7405 7.1446 7.1446 8.3989 8.3989 10.7889 10.7889 12.2071 12.2071 12.5301 12.5301 14.2848 14.2848 15.5209 15.5209 k = 0.5995-0.2598-1.0979 ( 2144 PWs) bands (ev): -50.4228 -50.4228 -26.3475 -26.3475 -23.9774 -23.9774 -23.7646 -23.7646 -1.9033 -1.9033 -1.4900 -1.4900 4.6069 4.6069 5.6915 5.6915 6.7186 6.7186 6.7635 6.7635 7.1692 7.1692 8.4329 8.4329 10.7174 10.7174 12.2132 12.2132 12.5758 12.5758 14.2859 14.2859 15.5991 15.5991 k = 0.5945-0.2404-1.0979 ( 2146 PWs) bands (ev): -50.4230 -50.4230 -26.3470 -26.3470 -23.9774 -23.9774 -23.7627 -23.7627 -1.9268 -1.9268 -1.4832 -1.4832 4.5533 4.5533 5.7101 5.7101 6.7197 6.7197 6.7988 6.7988 7.2208 7.2208 8.4628 8.4628 10.6472 10.6472 12.2177 12.2177 12.6203 12.6203 14.2955 14.2955 15.6732 15.6732 k = 0.5895-0.2210-1.0979 ( 2144 PWs) bands (ev): -50.4232 -50.4232 -26.3465 -26.3465 -23.9774 -23.9774 -23.7608 -23.7608 -1.9499 -1.9499 -1.4770 -1.4770 4.5019 4.5019 5.7285 5.7285 6.7201 6.7201 6.8139 6.8139 7.2978 7.2978 8.4884 8.4884 10.5780 10.5780 12.2212 12.2212 12.6632 12.6632 14.3135 14.3135 15.7426 15.7426 k = 0.5846-0.2016-1.0979 ( 2156 PWs) bands (ev): -50.4236 -50.4236 -26.3461 -26.3461 -23.9774 -23.9774 -23.7588 -23.7588 -1.9725 -1.9725 -1.4711 -1.4711 4.4527 4.4527 5.7465 5.7465 6.7229 6.7229 6.8134 6.8134 7.3926 7.3926 8.5095 8.5095 10.5099 10.5099 12.2241 12.2241 12.7044 12.7044 14.3392 14.3392 15.8070 15.8070 k = 0.5796-0.1822-1.0979 ( 2156 PWs) bands (ev): -50.4239 -50.4239 -26.3456 -26.3456 -23.9775 -23.9775 -23.7568 -23.7568 -1.9943 -1.9943 -1.4657 -1.4657 4.4058 4.4058 5.7637 5.7637 6.7285 6.7285 6.8039 6.8039 7.4978 7.4978 8.5258 8.5258 10.4427 10.4427 12.2269 12.2269 12.7437 12.7437 14.3720 14.3720 15.8660 15.8660 k = 0.5746-0.1628-1.0979 ( 2152 PWs) bands (ev): -50.4240 -50.4240 -26.3451 -26.3451 -23.9775 -23.9775 -23.7547 -23.7547 -2.0154 -2.0154 -1.4606 -1.4606 4.3613 4.3613 5.7799 5.7799 6.7366 6.7366 6.7902 6.7902 7.6088 7.6088 8.5375 8.5375 10.3763 10.3763 12.2301 12.2301 12.7810 12.7810 14.4114 14.4114 15.9194 15.9194 k = 0.5696-0.1434-1.0979 ( 2154 PWs) bands (ev): -50.4243 -50.4243 -26.3447 -26.3447 -23.9776 -23.9776 -23.7527 -23.7527 -2.0356 -2.0356 -1.4560 -1.4560 4.3194 4.3194 5.7950 5.7950 6.7450 6.7450 6.7769 6.7769 7.7231 7.7231 8.5445 8.5445 10.3104 10.3104 12.2339 12.2339 12.8160 12.8160 14.4565 14.4565 15.9667 15.9667 k = 0.5647-0.1240-1.0979 ( 2148 PWs) bands (ev): -50.4244 -50.4244 -26.3442 -26.3442 -23.9777 -23.9777 -23.7507 -23.7507 -2.0548 -2.0548 -1.4517 -1.4517 4.2800 4.2800 5.8087 5.8087 6.7429 6.7429 6.7761 6.7761 7.8387 7.8387 8.5471 8.5471 10.2449 10.2449 12.2388 12.2388 12.8488 12.8488 14.5065 14.5065 16.0079 16.0079 k = 0.5597-0.1046-1.0979 ( 2146 PWs) bands (ev): -50.4246 -50.4246 -26.3438 -26.3438 -23.9778 -23.9778 -23.7488 -23.7488 -2.0729 -2.0729 -1.4478 -1.4478 4.2433 4.2433 5.8211 5.8211 6.7284 6.7284 6.7902 6.7902 7.9545 7.9545 8.5456 8.5456 10.1796 10.1796 12.2449 12.2449 12.8791 12.8791 14.5607 14.5607 16.0428 16.0428 k = 0.5547-0.0852-1.0979 ( 2148 PWs) bands (ev): -50.4248 -50.4248 -26.3435 -26.3435 -23.9780 -23.9780 -23.7470 -23.7470 -2.0898 -2.0898 -1.4443 -1.4443 4.2092 4.2092 5.8320 5.8320 6.7115 6.7115 6.8095 6.8095 8.0695 8.0695 8.5405 8.5405 10.1143 10.1143 12.2521 12.2521 12.9070 12.9070 14.6182 14.6182 16.0714 16.0714 k = 0.5497-0.0658-1.0979 ( 2146 PWs) bands (ev): -50.4250 -50.4250 -26.3431 -26.3431 -23.9781 -23.9781 -23.7452 -23.7452 -2.1056 -2.1056 -1.4411 -1.4411 4.1779 4.1779 5.8415 5.8415 6.6947 6.6947 6.8315 6.8315 8.1828 8.1828 8.5326 8.5326 10.0489 10.0489 12.2605 12.2605 12.9323 12.9323 14.6782 14.6782 16.0940 16.0940 k = 0.5448-0.0464-1.0979 ( 2152 PWs) bands (ev): -50.4252 -50.4252 -26.3428 -26.3428 -23.9783 -23.9783 -23.7436 -23.7436 -2.1200 -2.1200 -1.4383 -1.4383 4.1495 4.1495 5.8497 5.8497 6.6786 6.6786 6.8550 6.8550 8.2926 8.2926 8.5236 8.5236 9.9831 9.9831 12.2698 12.2698 12.9552 12.9552 14.7396 14.7396 16.1109 16.1109 k = 0.5398-0.0270-1.0979 ( 2150 PWs) bands (ev): -50.4254 -50.4254 -26.3425 -26.3425 -23.9784 -23.9784 -23.7421 -23.7421 -2.1331 -2.1331 -1.4358 -1.4358 4.1239 4.1239 5.8565 5.8565 6.6638 6.6638 6.8794 6.8794 8.3936 8.3936 8.5189 8.5189 9.9168 9.9168 12.2797 12.2797 12.9754 12.9754 14.8017 14.8017 16.1227 16.1227 k = 0.5348-0.0076-1.0979 ( 2148 PWs) bands (ev): -50.4255 -50.4255 -26.3422 -26.3422 -23.9786 -23.9786 -23.7407 -23.7407 -2.1448 -2.1448 -1.4336 -1.4336 4.1012 4.1012 5.8622 5.8622 6.6504 6.6504 6.9037 6.9037 8.4545 8.4545 8.5500 8.5500 9.8499 9.8499 12.2899 12.2899 12.9932 12.9932 14.8632 14.8632 16.1300 16.1300 k = 0.5298 0.0118-1.0979 ( 2142 PWs) bands (ev): -50.4255 -50.4255 -26.3419 -26.3419 -23.9787 -23.9787 -23.7394 -23.7394 -2.1550 -2.1550 -1.4318 -1.4318 4.0814 4.0814 5.8669 5.8669 6.6385 6.6385 6.9272 6.9272 8.4568 8.4568 8.6357 8.6357 9.7827 9.7827 12.3000 12.3000 13.0084 13.0084 14.9229 14.9229 16.1337 16.1337 k = 0.5249 0.0312-1.0979 ( 2144 PWs) bands (ev): -50.4256 -50.4256 -26.3417 -26.3417 -23.9788 -23.9788 -23.7384 -23.7384 -2.1637 -2.1637 -1.4302 -1.4302 4.0646 4.0646 5.8706 5.8706 6.6283 6.6283 6.9490 6.9490 8.4458 8.4458 8.7305 8.7305 9.7152 9.7152 12.3094 12.3094 13.0212 13.0212 14.9794 14.9794 16.1347 16.1347 k = 0.5199 0.0506-1.0979 ( 2148 PWs) bands (ev): -50.4258 -50.4258 -26.3416 -26.3416 -23.9789 -23.9789 -23.7375 -23.7375 -2.1708 -2.1708 -1.4289 -1.4289 4.0509 4.0509 5.8734 5.8734 6.6198 6.6198 6.9683 6.9683 8.4333 8.4333 8.8222 8.8222 9.6486 9.6486 12.3179 12.3179 13.0316 13.0316 15.0309 15.0309 16.1330 16.1330 k = 0.5149 0.0700-1.0979 ( 2146 PWs) bands (ev): -50.4258 -50.4258 -26.3415 -26.3415 -23.9790 -23.9790 -23.7368 -23.7368 -2.1765 -2.1765 -1.4279 -1.4279 4.0402 4.0402 5.8756 5.8756 6.6132 6.6132 6.9844 6.9844 8.4220 8.4220 8.9067 8.9067 9.5844 9.5844 12.3249 12.3249 13.0396 13.0396 15.0751 15.0751 16.0938 16.0938 k = 0.5099 0.0894-1.0979 ( 2142 PWs) bands (ev): -50.4258 -50.4258 -26.3414 -26.3414 -23.9790 -23.9790 -23.7363 -23.7363 -2.1805 -2.1805 -1.4272 -1.4272 4.0325 4.0325 5.8770 5.8770 6.6084 6.6084 6.9964 6.9964 8.4132 8.4132 8.9794 8.9794 9.5268 9.5268 12.3302 12.3302 13.0453 13.0453 15.1096 15.1096 16.0528 16.0528 k = 0.5050 0.1088-1.0979 ( 2142 PWs) bands (ev): -50.4258 -50.4258 -26.3413 -26.3413 -23.9791 -23.9791 -23.7360 -23.7360 -2.1829 -2.1829 -1.4268 -1.4268 4.0279 4.0279 5.8779 5.8779 6.6055 6.6055 7.0038 7.0038 8.4076 8.4076 9.0319 9.0319 9.4834 9.4834 12.3335 12.3335 13.0487 13.0487 15.1318 15.1318 16.0267 16.0267 k = 0.5000 0.1282-1.0979 ( 2150 PWs) bands (ev): -50.4260 -50.4260 -26.3413 -26.3413 -23.9791 -23.9791 -23.7359 -23.7359 -2.1837 -2.1837 -1.4267 -1.4267 4.0263 4.0263 5.8782 5.8782 6.6045 6.6045 7.0063 7.0063 8.4057 8.4057 9.0518 9.0518 9.4666 9.4666 12.3346 12.3346 13.0498 13.0498 15.1394 15.1394 16.0177 16.0177 k = 0.5000 0.1282-1.0979 ( 2150 PWs) bands (ev): -50.4260 -50.4260 -26.3413 -26.3413 -23.9791 -23.9791 -23.7359 -23.7359 -2.1837 -2.1837 -1.4267 -1.4267 4.0263 4.0263 5.8782 5.8782 6.6045 6.6045 7.0063 7.0063 8.4057 8.4057 9.0518 9.0518 9.4666 9.4666 12.3346 12.3346 13.0498 13.0498 15.1394 15.1394 16.0177 16.0177 k = 0.5177 0.1327-1.0893 ( 2148 PWs) bands (ev): -50.4259 -50.4259 -26.3413 -26.3413 -23.9791 -23.9791 -23.7359 -23.7359 -2.1842 -2.1842 -1.4263 -1.4263 4.0271 4.0271 5.8755 5.8755 6.6056 6.6056 7.0062 7.0062 8.4058 8.4058 9.0529 9.0529 9.4671 9.4671 12.3346 12.3346 13.0505 13.0505 15.1379 15.1379 15.9972 15.9972 k = 0.5354 0.1373-1.0807 ( 2149 PWs) bands (ev): -50.4260 -50.4260 -26.3413 -26.3413 -23.9791 -23.9791 -23.7359 -23.7359 -2.1856 -2.1856 -1.4251 -1.4251 4.0293 4.0293 5.8678 5.8678 6.6089 6.6089 7.0056 7.0056 8.4061 8.4061 9.0559 9.0559 9.4688 9.4688 12.3344 12.3344 13.0526 13.0526 15.1334 15.1334 15.9564 15.9564 k = 0.5531 0.1418-1.0721 ( 2151 PWs) bands (ev): -50.4260 -50.4260 -26.3413 -26.3413 -23.9790 -23.9790 -23.7359 -23.7359 -2.1880 -2.1880 -1.4231 -1.4231 4.0330 4.0330 5.8554 5.8554 6.6138 6.6138 7.0048 7.0048 8.4067 8.4067 9.0609 9.0609 9.4716 9.4716 12.3342 12.3342 13.0561 13.0561 15.1260 15.1260 15.9113 15.9113 k = 0.5708 0.1464-1.0635 ( 2153 PWs) bands (ev): -50.4260 -50.4260 -26.3412 -26.3412 -23.9789 -23.9789 -23.7359 -23.7359 -2.1912 -2.1912 -1.4204 -1.4204 4.0382 4.0382 5.8388 5.8388 6.6199 6.6199 7.0036 7.0036 8.4075 8.4075 9.0677 9.0677 9.4755 9.4755 12.3338 12.3338 13.0608 13.0608 15.1158 15.1158 15.8658 15.8658 k = 0.5884 0.1509-1.0550 ( 2153 PWs) bands (ev): -50.4261 -50.4261 -26.3411 -26.3411 -23.9787 -23.9787 -23.7359 -23.7359 -2.1953 -2.1953 -1.4172 -1.4172 4.0448 4.0448 5.8188 5.8188 6.6266 6.6266 7.0022 7.0022 8.4088 8.4088 9.0762 9.0762 9.4803 9.4803 12.3334 12.3334 13.0667 13.0667 15.1030 15.1030 15.8212 15.8212 k = 0.6061 0.1554-1.0464 ( 2149 PWs) bands (ev): -50.4260 -50.4260 -26.3410 -26.3410 -23.9786 -23.9786 -23.7359 -23.7359 -2.2001 -2.2001 -1.4134 -1.4134 4.0528 4.0528 5.7962 5.7962 6.6333 6.6333 7.0005 7.0005 8.4104 8.4104 9.0862 9.0862 9.4862 9.4862 12.3328 12.3328 13.0737 13.0737 15.0877 15.0877 15.7779 15.7779 k = 0.6238 0.1600-1.0378 ( 2151 PWs) bands (ev): -50.4261 -50.4261 -26.3409 -26.3409 -23.9784 -23.9784 -23.7359 -23.7359 -2.2054 -2.2054 -1.4093 -1.4093 4.0621 4.0621 5.7718 5.7718 6.6393 6.6393 6.9985 6.9985 8.4126 8.4126 9.0975 9.0975 9.4928 9.4928 12.3322 12.3322 13.0816 13.0816 15.0702 15.0702 15.7360 15.7360 k = 0.6415 0.1645-1.0292 ( 2155 PWs) bands (ev): -50.4262 -50.4262 -26.3408 -26.3408 -23.9781 -23.9781 -23.7360 -23.7360 -2.2113 -2.2113 -1.4050 -1.4050 4.0729 4.0729 5.7461 5.7461 6.6441 6.6441 6.9964 6.9964 8.4153 8.4153 9.1098 9.1098 9.5002 9.5002 12.3315 12.3315 13.0904 13.0904 15.0507 15.0507 15.6955 15.6955 k = 0.6592 0.1690-1.0206 ( 2157 PWs) bands (ev): -50.4263 -50.4263 -26.3407 -26.3407 -23.9779 -23.9779 -23.7360 -23.7360 -2.2177 -2.2177 -1.4006 -1.4006 4.0849 4.0849 5.7200 5.7200 6.6473 6.6473 6.9941 6.9941 8.4184 8.4184 9.1230 9.1230 9.5083 9.5083 12.3308 12.3308 13.0998 13.0998 15.0295 15.0295 15.6566 15.6566 k = 0.6592 0.1690-1.0206 ( 2157 PWs) bands (ev): -50.4263 -50.4263 -26.3407 -26.3407 -23.9779 -23.9779 -23.7360 -23.7360 -2.2177 -2.2177 -1.4006 -1.4006 4.0849 4.0849 5.7200 5.7200 6.6473 6.6473 6.9941 6.9941 8.4184 8.4184 9.1230 9.1230 9.5083 9.5083 12.3308 12.3308 13.0998 13.0998 15.0295 15.0295 15.6566 15.6566 k = 0.6563 0.1683-1.0006 ( 2155 PWs) bands (ev): -50.4264 -50.4264 -26.3401 -26.3401 -23.9767 -23.9767 -23.7360 -23.7360 -2.2231 -2.2231 -1.4108 -1.4108 4.1047 4.1047 5.6783 5.6783 6.6973 6.6973 6.9989 6.9989 8.4266 8.4266 9.1188 9.1188 9.5017 9.5017 12.3267 12.3267 13.0851 13.0851 15.0298 15.0298 15.6279 15.6279 k = 0.6534 0.1675-0.9807 ( 2149 PWs) bands (ev): -50.4266 -50.4266 -26.3392 -26.3392 -23.9750 -23.9750 -23.7361 -23.7361 -2.2292 -2.2292 -1.4258 -1.4258 4.1323 4.1323 5.6377 5.6377 6.7486 6.7486 7.0051 7.0051 8.4293 8.4293 9.1194 9.1194 9.4937 9.4937 12.3212 12.3212 13.0644 13.0644 15.0292 15.0292 15.6009 15.6009 k = 0.6505 0.1668-0.9607 ( 2146 PWs) bands (ev): -50.4268 -50.4268 -26.3382 -26.3382 -23.9730 -23.9730 -23.7361 -23.7361 -2.2361 -2.2361 -1.4455 -1.4455 4.1674 4.1674 5.5986 5.5986 6.7999 6.7999 7.0127 7.0127 8.4270 8.4270 9.1245 9.1245 9.4842 9.4842 12.3144 12.3144 13.0386 13.0386 15.0275 15.0275 15.5740 15.5740 k = 0.6476 0.1661-0.9408 ( 2146 PWs) bands (ev): -50.4272 -50.4272 -26.3369 -26.3369 -23.9707 -23.9707 -23.7362 -23.7362 -2.2437 -2.2437 -1.4696 -1.4696 4.2096 4.2096 5.5618 5.5618 6.8503 6.8503 7.0217 7.0217 8.4208 8.4208 9.1337 9.1337 9.4733 9.4733 12.3064 12.3064 13.0084 13.0084 15.0250 15.0250 15.5453 15.5453 k = 0.6447 0.1653-0.9208 ( 2146 PWs) bands (ev): -50.4276 -50.4276 -26.3355 -26.3355 -23.9679 -23.9679 -23.7363 -23.7363 -2.2521 -2.2521 -1.4980 -1.4980 4.2586 4.2586 5.5277 5.5277 6.8986 6.8986 7.0321 7.0321 8.4119 8.4119 9.1463 9.1463 9.4611 9.4611 12.2973 12.2973 12.9747 12.9747 15.0214 15.0214 15.5131 15.5131 k = 0.6418 0.1646-0.9008 ( 2140 PWs) bands (ev): -50.4280 -50.4280 -26.3339 -26.3339 -23.9648 -23.9648 -23.7364 -23.7364 -2.2612 -2.2612 -1.5303 -1.5303 4.3140 4.3140 5.4967 5.4967 6.9435 6.9435 7.0439 7.0439 8.4020 8.4020 9.1617 9.1617 9.4475 9.4475 12.2873 12.2873 12.9384 12.9384 15.0169 15.0169 15.4756 15.4756 k = 0.6389 0.1638-0.8809 ( 2140 PWs) bands (ev): -50.4285 -50.4285 -26.3322 -26.3322 -23.9614 -23.9614 -23.7365 -23.7365 -2.2711 -2.2711 -1.5662 -1.5662 4.3751 4.3751 5.4695 5.4695 6.9834 6.9834 7.0572 7.0572 8.3926 8.3926 9.1792 9.1792 9.4327 9.4327 12.2766 12.2766 12.9002 12.9002 15.0113 15.0113 15.4316 15.4316 k = 0.6360 0.1631-0.8609 ( 2142 PWs) bands (ev): -50.4291 -50.4291 -26.3302 -26.3302 -23.9576 -23.9576 -23.7366 -23.7366 -2.2818 -2.2818 -1.6053 -1.6053 4.4413 4.4413 5.4465 5.4465 7.0171 7.0171 7.0722 7.0722 8.3853 8.3853 9.1985 9.1985 9.4169 9.4169 12.2653 12.2653 12.8608 12.8608 15.0049 15.0049 15.3802 15.3802 k = 0.6331 0.1624-0.8410 ( 2142 PWs) bands (ev): -50.4298 -50.4298 -26.3281 -26.3281 -23.9534 -23.9534 -23.7367 -23.7367 -2.2933 -2.2933 -1.6473 -1.6473 4.5117 4.5117 5.4284 5.4284 7.0433 7.0433 7.0885 7.0885 8.3818 8.3818 9.2191 9.2191 9.4001 9.4001 12.2536 12.2536 12.8208 12.8208 14.9974 14.9974 15.3214 15.3214 k = 0.6303 0.1616-0.8210 ( 2144 PWs) bands (ev): -50.4305 -50.4305 -26.3259 -26.3259 -23.9490 -23.9490 -23.7369 -23.7369 -2.3058 -2.3058 -1.6919 -1.6919 4.5855 4.5855 5.4160 5.4160 7.0622 7.0622 7.1046 7.1046 8.3832 8.3832 9.2406 9.2406 9.3827 9.3827 12.2416 12.2416 12.7809 12.7809 14.9888 14.9888 15.2556 15.2556 k = 0.6274 0.1609-0.8010 ( 2142 PWs) bands (ev): -50.4312 -50.4312 -26.3235 -26.3235 -23.9442 -23.9442 -23.7370 -23.7370 -2.3191 -2.3191 -1.7385 -1.7385 4.6611 4.6611 5.4105 5.4105 7.0737 7.0737 7.1196 7.1196 8.3906 8.3906 9.2624 9.2624 9.3653 9.3653 12.2294 12.2294 12.7415 12.7415 14.9792 14.9792 15.1836 15.1836 k = 0.6245 0.1601-0.7811 ( 2142 PWs) bands (ev): -50.4319 -50.4319 -26.3210 -26.3210 -23.9391 -23.9391 -23.7371 -23.7371 -2.3336 -2.3336 -1.7868 -1.7868 4.7368 4.7368 5.4133 5.4133 7.0765 7.0765 7.1342 7.1342 8.4044 8.4044 9.2829 9.2829 9.3501 9.3501 12.2172 12.2172 12.7031 12.7031 14.9682 14.9682 15.1068 15.1068 k = 0.6216 0.1594-0.7611 ( 2144 PWs) bands (ev): -50.4328 -50.4328 -26.3183 -26.3183 -23.9338 -23.9338 -23.7373 -23.7373 -2.3492 -2.3492 -1.8364 -1.8364 4.8104 4.8104 5.4266 5.4266 7.0692 7.0692 7.1496 7.1496 8.4243 8.4243 9.2944 9.2944 9.3448 9.3448 12.2050 12.2050 12.6659 12.6659 14.9545 14.9545 15.0277 15.0277 k = 0.6187 0.1586-0.7411 ( 2142 PWs) bands (ev): -50.4336 -50.4336 -26.3155 -26.3155 -23.9281 -23.9281 -23.7374 -23.7374 -2.3661 -2.3661 -1.8868 -1.8868 4.8792 4.8792 5.4526 5.4526 7.0518 7.0518 7.1659 7.1659 8.4497 8.4497 9.2872 9.2872 9.3598 9.3598 12.1930 12.1930 12.6302 12.6302 14.9225 14.9225 14.9628 14.9628 k = 0.6158 0.1579-0.7212 ( 2140 PWs) bands (ev): -50.4344 -50.4344 -26.3126 -26.3126 -23.9222 -23.9222 -23.7375 -23.7375 -2.3845 -2.3845 -1.9375 -1.9375 4.9406 4.9406 5.4937 5.4937 7.0253 7.0253 7.1830 7.1830 8.4796 8.4796 9.2706 9.2706 9.3863 9.3863 12.1812 12.1812 12.5963 12.5963 14.8458 14.8458 14.9398 14.9398 k = 0.6129 0.1572-0.7012 ( 2134 PWs) bands (ev): -50.4353 -50.4353 -26.3095 -26.3095 -23.9160 -23.9160 -23.7376 -23.7376 -2.4047 -2.4047 -1.9880 -1.9880 4.9929 4.9929 5.5512 5.5512 6.9907 6.9907 7.2006 7.2006 8.5124 8.5124 9.2516 9.2516 9.4178 9.4178 12.1696 12.1696 12.5643 12.5643 14.7594 14.7594 14.9246 14.9246 k = 0.6100 0.1564-0.6813 ( 2133 PWs) bands (ev): -50.4362 -50.4362 -26.3064 -26.3064 -23.9096 -23.9096 -23.7377 -23.7377 -2.4269 -2.4269 -2.0377 -2.0377 5.0362 5.0362 5.6247 5.6247 6.9495 6.9495 7.2182 7.2182 8.5468 8.5468 9.2322 9.2322 9.4532 9.4532 12.1582 12.1582 12.5343 12.5343 14.6714 14.6714 14.9099 14.9099 k = 0.6071 0.1557-0.6613 ( 2137 PWs) bands (ev): -50.4373 -50.4373 -26.3033 -26.3033 -23.9030 -23.9030 -23.7378 -23.7378 -2.4515 -2.4515 -2.0859 -2.0859 5.0723 5.0723 5.7122 5.7122 6.9027 6.9027 7.2356 7.2356 8.5813 8.5813 9.2131 9.2131 9.4922 9.4922 12.1469 12.1469 12.5065 12.5065 14.5836 14.5836 14.8949 14.8949 k = 0.6042 0.1549-0.6413 ( 2139 PWs) bands (ev): -50.4383 -50.4383 -26.3000 -26.3000 -23.8963 -23.8963 -23.7379 -23.7379 -2.4790 -2.4790 -2.1321 -2.1321 5.1033 5.1033 5.8110 5.8110 6.8515 6.8515 7.2526 7.2526 8.6144 8.6144 9.1950 9.1950 9.5348 9.5348 12.1358 12.1358 12.4807 12.4807 14.4967 14.4967 14.8795 14.8795 k = 0.6013 0.1542-0.6214 ( 2139 PWs) bands (ev): -50.4393 -50.4393 -26.2967 -26.2967 -23.8893 -23.8893 -23.7380 -23.7380 -2.5095 -2.5095 -2.1756 -2.1756 5.1314 5.1314 5.9183 5.9183 6.7974 6.7974 7.2690 7.2690 8.6452 8.6452 9.1782 9.1782 9.5811 9.5811 12.1247 12.1247 12.4572 12.4572 14.4117 14.4117 14.8638 14.8638 k = 0.5984 0.1534-0.6014 ( 2139 PWs) bands (ev): -50.4404 -50.4404 -26.2934 -26.2934 -23.8822 -23.8822 -23.7380 -23.7380 -2.5435 -2.5435 -2.2161 -2.2161 5.1584 5.1584 6.0314 6.0314 6.7416 6.7416 7.2844 7.2844 8.6728 8.6728 9.1631 9.1631 9.6309 9.6309 12.1135 12.1135 12.4357 12.4357 14.3290 14.3290 14.8479 14.8479 k = 0.5955 0.1527-0.5815 ( 2139 PWs) bands (ev): -50.4415 -50.4415 -26.2900 -26.2900 -23.8750 -23.8750 -23.7381 -23.7381 -2.5809 -2.5809 -2.2531 -2.2531 5.1855 5.1855 6.1475 6.1475 6.6864 6.6864 7.2987 7.2987 8.6966 8.6966 9.1501 9.1501 9.6839 9.6839 12.1020 12.1020 12.4163 12.4163 14.2496 14.2496 14.8319 14.8319 k = 0.5926 0.1520-0.5615 ( 2142 PWs) bands (ev): -50.4426 -50.4426 -26.2866 -26.2866 -23.8677 -23.8677 -23.7381 -23.7381 -2.6215 -2.6215 -2.2867 -2.2867 5.2134 5.2134 6.2610 6.2610 6.6368 6.6368 7.3116 7.3116 8.7163 8.7163 9.1395 9.1395 9.7395 9.7395 12.0902 12.0902 12.3987 12.3987 14.1739 14.1739 14.8158 14.8158 k = 0.5897 0.1512-0.5415 ( 2142 PWs) bands (ev): -50.4437 -50.4437 -26.2831 -26.2831 -23.8604 -23.8604 -23.7380 -23.7380 -2.6650 -2.6650 -2.3171 -2.3171 5.2428 5.2428 6.3554 6.3554 6.6089 6.6089 7.3228 7.3228 8.7317 8.7317 9.1318 9.1318 9.7971 9.7971 12.0778 12.0778 12.3827 12.3827 14.1028 14.1028 14.8000 14.8000 k = 0.5868 0.1505-0.5216 ( 2140 PWs) bands (ev): -50.4447 -50.4447 -26.2797 -26.2797 -23.8529 -23.8529 -23.7379 -23.7379 -2.7108 -2.7108 -2.3447 -2.3447 5.2740 5.2740 6.3891 6.3891 6.6442 6.6442 7.3322 7.3322 8.7429 8.7429 9.1273 9.1273 9.8562 9.8562 12.0647 12.0647 12.3682 12.3682 14.0370 14.0370 14.7844 14.7844 k = 0.5839 0.1497-0.5016 ( 2142 PWs) bands (ev): -50.4459 -50.4459 -26.2762 -26.2762 -23.8455 -23.8455 -23.7378 -23.7378 -2.7582 -2.7582 -2.3698 -2.3698 5.3071 5.3071 6.3604 6.3604 6.7444 6.7444 7.3397 7.3397 8.7498 8.7498 9.1262 9.1262 9.9158 9.9158 12.0505 12.0505 12.3546 12.3546 13.9772 13.9772 14.7694 14.7694 k = 0.5810 0.1490-0.4817 ( 2142 PWs) bands (ev): -50.4470 -50.4470 -26.2728 -26.2728 -23.8381 -23.8381 -23.7375 -23.7375 -2.8067 -2.8067 -2.3930 -2.3930 5.3424 5.3424 6.3093 6.3093 6.8692 6.8692 7.3449 7.3449 8.7528 8.7528 9.1288 9.1288 9.9754 9.9754 12.0351 12.0351 12.3416 12.3416 13.9242 13.9242 14.7550 14.7550 k = 0.5782 0.1483-0.4617 ( 2136 PWs) bands (ev): -50.4480 -50.4480 -26.2694 -26.2694 -23.8307 -23.8307 -23.7372 -23.7372 -2.8559 -2.8559 -2.4144 -2.4144 5.3797 5.3797 6.2517 6.2517 7.0026 7.0026 7.3480 7.3480 8.7520 8.7520 9.1354 9.1354 10.0342 10.0342 12.0182 12.0182 12.3286 12.3286 13.8787 13.8787 14.7415 14.7415 k = 0.5753 0.1475-0.4417 ( 2138 PWs) bands (ev): -50.4491 -50.4491 -26.2660 -26.2660 -23.8235 -23.8235 -23.7369 -23.7369 -2.9052 -2.9052 -2.4345 -2.4345 5.4189 5.4189 6.1924 6.1924 7.1397 7.1397 7.3490 7.3490 8.7476 8.7476 9.1460 9.1460 10.0917 10.0917 11.9996 11.9996 12.3150 12.3150 13.8417 13.8417 14.7289 14.7289 k = 0.5724 0.1468-0.4218 ( 2141 PWs) bands (ev): -50.4502 -50.4502 -26.2627 -26.2627 -23.8164 -23.8164 -23.7364 -23.7364 -2.9543 -2.9543 -2.4534 -2.4534 5.4599 5.4599 6.1335 6.1335 7.2771 7.2771 7.3493 7.3493 8.7401 8.7401 9.1608 9.1608 10.1474 10.1474 11.9791 11.9791 12.3002 12.3002 13.8137 13.8137 14.7176 14.7176 k = 0.5695 0.1460-0.4018 ( 2141 PWs) bands (ev): -50.4513 -50.4513 -26.2595 -26.2595 -23.8094 -23.8094 -23.7358 -23.7358 -3.0029 -3.0029 -2.4713 -2.4713 5.5021 5.5021 6.0763 6.0763 7.3398 7.3398 7.4225 7.4225 8.7297 8.7297 9.1798 9.1798 10.2008 10.2008 11.9565 11.9565 12.2836 12.2836 13.7954 13.7954 14.7076 14.7076 k = 0.5666 0.1453-0.3818 ( 2143 PWs) bands (ev): -50.4524 -50.4524 -26.2563 -26.2563 -23.8027 -23.8027 -23.7350 -23.7350 -3.0508 -3.0508 -2.4882 -2.4882 5.5445 5.5445 6.0222 6.0222 7.3354 7.3354 7.5602 7.5602 8.7172 8.7172 9.2031 9.2031 10.2518 10.2518 11.9315 11.9315 12.2646 12.2646 13.7871 13.7871 14.6991 14.6991 k = 0.5637 0.1445-0.3619 ( 2147 PWs) bands (ev): -50.4535 -50.4535 -26.2531 -26.2531 -23.7963 -23.7963 -23.7341 -23.7341 -3.0976 -3.0976 -2.5044 -2.5044 5.5855 5.5855 5.9733 5.9733 7.3277 7.3277 7.6971 7.6971 8.7034 8.7034 9.2305 9.2305 10.3001 10.3001 11.9041 11.9041 12.2428 12.2428 13.7891 13.7891 14.6921 14.6921 k = 0.5608 0.1438-0.3419 ( 2147 PWs) bands (ev): -50.4545 -50.4545 -26.2501 -26.2501 -23.7903 -23.7903 -23.7329 -23.7329 -3.1432 -3.1432 -2.5199 -2.5199 5.6214 5.6214 5.9334 5.9334 7.3180 7.3180 7.8301 7.8301 8.6901 8.6901 9.2619 9.2619 10.3456 10.3456 11.8741 11.8741 12.2179 12.2179 13.8011 13.8011 14.6868 14.6868 k = 0.5579 0.1431-0.3220 ( 2146 PWs) bands (ev): -50.4555 -50.4555 -26.2471 -26.2471 -23.7846 -23.7846 -23.7314 -23.7314 -3.1875 -3.1875 -2.5346 -2.5346 5.6454 5.6454 5.9094 5.9094 7.3068 7.3068 7.9559 7.9559 8.6802 8.6802 9.2972 9.2972 10.3884 10.3884 11.8414 11.8414 12.1898 12.1898 13.8229 13.8229 14.6831 14.6831 k = 0.5550 0.1423-0.3020 ( 2144 PWs) bands (ev): -50.4564 -50.4564 -26.2442 -26.2442 -23.7794 -23.7794 -23.7296 -23.7296 -3.2303 -3.2303 -2.5487 -2.5487 5.6492 5.6492 5.9098 5.9098 7.2942 7.2942 8.0687 8.0687 8.6792 8.6792 9.3362 9.3362 10.4285 10.4285 11.8060 11.8060 12.1584 12.1584 13.8539 13.8539 14.6812 14.6812 k = 0.5521 0.1416-0.2820 ( 2136 PWs) bands (ev): -50.4572 -50.4572 -26.2414 -26.2414 -23.7748 -23.7748 -23.7274 -23.7274 -3.2715 -3.2715 -2.5621 -2.5621 5.6319 5.6319 5.9356 5.9356 7.2805 7.2805 8.1592 8.1592 8.6961 8.6961 9.3786 9.3786 10.4661 10.4661 11.7677 11.7677 12.1238 12.1238 13.8932 13.8932 14.6810 14.6810 k = 0.5492 0.1408-0.2621 ( 2136 PWs) bands (ev): -50.4581 -50.4581 -26.2388 -26.2388 -23.7708 -23.7708 -23.7249 -23.7249 -3.3110 -3.3110 -2.5749 -2.5749 5.6015 5.6015 5.9788 5.9788 7.2660 7.2660 8.2170 8.2170 8.7410 8.7410 9.4242 9.4242 10.5012 10.5012 11.7268 11.7268 12.0861 12.0861 13.9398 13.9398 14.6824 14.6824 k = 0.5463 0.1401-0.2421 ( 2134 PWs) bands (ev): -50.4590 -50.4590 -26.2362 -26.2362 -23.7674 -23.7674 -23.7220 -23.7220 -3.3487 -3.3487 -2.5870 -2.5870 5.5651 5.5651 6.0323 6.0323 7.2510 7.2510 8.2386 8.2386 8.8171 8.8171 9.4727 9.4727 10.5341 10.5341 11.6831 11.6831 12.0457 12.0457 13.9927 13.9927 14.6853 14.6853 k = 0.5434 0.1393-0.2222 ( 2138 PWs) bands (ev): -50.4599 -50.4599 -26.2338 -26.2338 -23.7645 -23.7645 -23.7188 -23.7188 -3.3845 -3.3845 -2.5985 -2.5985 5.5268 5.5268 6.0920 6.0920 7.2356 7.2356 8.2311 8.2311 8.9172 8.9172 9.5239 9.5239 10.5650 10.5650 11.6369 11.6369 12.0027 12.0027 14.0507 14.0507 14.6897 14.6897 k = 0.5405 0.1386-0.2022 ( 2137 PWs) bands (ev): -50.4606 -50.4606 -26.2315 -26.2315 -23.7622 -23.7622 -23.7154 -23.7154 -3.4183 -3.4183 -2.6093 -2.6093 5.4886 5.4886 6.1559 6.1559 7.2203 7.2203 8.2041 8.2041 9.0313 9.0313 9.5775 9.5775 10.5942 10.5942 11.5883 11.5883 11.9572 11.9572 14.1127 14.1127 14.6953 14.6953 k = 0.5376 0.1379-0.1822 ( 2139 PWs) bands (ev): -50.4614 -50.4614 -26.2294 -26.2294 -23.7604 -23.7604 -23.7118 -23.7118 -3.4501 -3.4501 -2.6194 -2.6194 5.4516 5.4516 6.2228 6.2228 7.2050 7.2050 8.1646 8.1646 9.1522 9.1522 9.6331 9.6331 10.6217 10.6217 11.5374 11.5374 11.9095 11.9095 14.1776 14.1776 14.7019 14.7019 k = 0.5347 0.1371-0.1623 ( 2143 PWs) bands (ev): -50.4621 -50.4621 -26.2274 -26.2274 -23.7589 -23.7589 -23.7082 -23.7082 -3.4797 -3.4797 -2.6288 -2.6288 5.4164 5.4164 6.2922 6.2922 7.1902 7.1902 8.1165 8.1165 9.2756 9.2756 9.6905 9.6905 10.6479 10.6479 11.4845 11.4845 11.8596 11.8596 14.2442 14.2442 14.7094 14.7094 k = 0.5318 0.1364-0.1423 ( 2143 PWs) bands (ev): -50.4628 -50.4628 -26.2255 -26.2255 -23.7576 -23.7576 -23.7046 -23.7046 -3.5072 -3.5072 -2.6375 -2.6375 5.3833 5.3833 6.3634 6.3634 7.1758 7.1758 8.0623 8.0623 9.3988 9.3988 9.7493 9.7493 10.6729 10.6729 11.4299 11.4299 11.8076 11.8076 14.3114 14.3114 14.7176 14.7176 k = 0.5289 0.1356-0.1223 ( 2141 PWs) bands (ev): -50.4634 -50.4634 -26.2238 -26.2238 -23.7567 -23.7567 -23.7011 -23.7011 -3.5325 -3.5325 -2.6455 -2.6455 5.3527 5.3527 6.4363 6.4363 7.1622 7.1622 8.0034 8.0034 9.5200 9.5200 9.8090 9.8090 10.6971 10.6971 11.3740 11.3740 11.7537 11.7537 14.3780 14.3780 14.7261 14.7261 k = 0.5261 0.1349-0.1024 ( 2139 PWs) bands (ev): -50.4639 -50.4639 -26.2222 -26.2222 -23.7558 -23.7558 -23.6979 -23.6979 -3.5555 -3.5555 -2.6528 -2.6528 5.3246 5.3246 6.5104 6.5104 7.1495 7.1495 7.9408 7.9408 9.6375 9.6375 9.8693 9.8693 10.7206 10.7206 11.3171 11.3171 11.6980 11.6980 14.4430 14.4430 14.7348 14.7348 k = 0.5232 0.1341-0.0824 ( 2139 PWs) bands (ev): -50.4644 -50.4644 -26.2208 -26.2208 -23.7552 -23.7552 -23.6948 -23.6948 -3.5761 -3.5761 -2.6594 -2.6594 5.2992 5.2992 6.5855 6.5855 7.1378 7.1378 7.8753 7.8753 9.7501 9.7501 9.9297 9.9297 10.7439 10.7439 11.2599 11.2599 11.6407 11.6407 14.5053 14.5053 14.7434 14.7434 k = 0.5203 0.1334-0.0625 ( 2138 PWs) bands (ev): -50.4648 -50.4648 -26.2195 -26.2195 -23.7547 -23.7547 -23.6920 -23.6920 -3.5945 -3.5945 -2.6652 -2.6652 5.2766 5.2766 6.6611 6.6611 7.1272 7.1272 7.8075 7.8075 9.8563 9.8563 9.9893 9.9893 10.7673 10.7673 11.2030 11.2030 11.5820 11.5820 14.5637 14.5637 14.7518 14.7518 k = 0.5174 0.1327-0.0425 ( 2135 PWs) bands (ev): -50.4651 -50.4651 -26.2184 -26.2184 -23.7543 -23.7543 -23.6896 -23.6896 -3.6104 -3.6104 -2.6703 -2.6703 5.2569 5.2569 6.7368 6.7368 7.1178 7.1178 7.7382 7.7382 9.9545 9.9545 10.0474 10.0474 10.7913 10.7913 11.1475 11.1475 11.5224 11.5224 14.6171 14.6171 14.7596 14.7596 k = 0.5145 0.1319-0.0225 ( 2137 PWs) bands (ev): -50.4655 -50.4655 -26.2175 -26.2175 -23.7540 -23.7540 -23.6874 -23.6874 -3.6240 -3.6240 -2.6746 -2.6746 5.2402 5.2402 6.8120 6.8120 7.1099 7.1099 7.6681 7.6681 10.0428 10.0428 10.1029 10.1029 10.8161 10.8161 11.0947 11.0947 11.4627 11.4627 14.6644 14.6644 14.7668 14.7668 k = 0.5116 0.1312-0.0026 ( 2139 PWs) bands (ev): -50.4658 -50.4658 -26.2168 -26.2168 -23.7537 -23.7537 -23.6857 -23.6857 -3.6351 -3.6351 -2.6781 -2.6781 5.2264 5.2264 6.8857 6.8857 7.1034 7.1034 7.5982 7.5982 10.1192 10.1192 10.1541 10.1541 10.8414 10.8414 11.0469 11.0469 11.4041 11.4041 14.7045 14.7045 14.7733 14.7733 k = 0.5087 0.1304 0.0174 ( 2138 PWs) bands (ev): -50.4660 -50.4660 -26.2162 -26.2162 -23.7535 -23.7535 -23.6843 -23.6843 -3.6437 -3.6437 -2.6809 -2.6809 5.2157 5.2157 6.9559 6.9559 7.0986 7.0986 7.5306 7.5306 10.1811 10.1811 10.1994 10.1994 10.8654 10.8654 11.0078 11.0078 11.3488 11.3488 14.7360 14.7360 14.7794 14.7794 k = 0.5058 0.1297 0.0373 ( 2136 PWs) bands (ev): -50.4661 -50.4661 -26.2157 -26.2157 -23.7534 -23.7534 -23.6833 -23.6833 -3.6499 -3.6499 -2.6828 -2.6828 5.2080 5.2080 7.0184 7.0184 7.0964 7.0964 7.4687 7.4687 10.2250 10.2250 10.2374 10.2374 10.8825 10.8825 10.9835 10.9835 11.3005 11.3005 14.7574 14.7574 14.7855 14.7855 k = 0.5029 0.1290 0.0573 ( 2138 PWs) bands (ev): -50.4662 -50.4662 -26.2155 -26.2155 -23.7533 -23.7533 -23.6827 -23.6827 -3.6536 -3.6536 -2.6840 -2.6840 5.2034 5.2034 7.0621 7.0621 7.0998 7.0998 7.4205 7.4205 10.2500 10.2500 10.2641 10.2641 10.8875 10.8875 10.9776 10.9776 11.2655 11.2655 14.7683 14.7683 14.7914 14.7914 k = 0.5000 0.1282 0.0773 ( 2138 PWs) bands (ev): -50.4662 -50.4662 -26.2154 -26.2154 -23.7533 -23.7533 -23.6825 -23.6825 -3.6549 -3.6549 -2.6844 -2.6844 5.2018 5.2018 7.0742 7.0742 7.1068 7.1068 7.4010 7.4010 10.2582 10.2582 10.2736 10.2736 10.8870 10.8870 10.9790 10.9790 11.2523 11.2523 14.7713 14.7713 14.7941 14.7941 k = 0.5000-0.9108-0.5489 ( 2158 PWs) bands (ev): -50.4261 -50.4261 -26.3414 -26.3414 -23.9791 -23.9791 -23.7360 -23.7360 -2.2689 -2.2689 -1.3178 -1.3178 4.2039 4.2039 5.9580 5.9580 5.9773 5.9773 6.9356 6.9356 8.4262 8.4262 9.3571 9.3571 9.6763 9.6763 12.3335 12.3335 13.2554 13.2554 14.6972 14.6972 15.4660 15.4660 k = 0.5177-0.9037-0.5446 ( 2160 PWs) bands (ev): -50.4261 -50.4261 -26.3414 -26.3414 -23.9791 -23.9791 -23.7360 -23.7360 -2.2687 -2.2687 -1.3181 -1.3181 4.2033 4.2033 5.9297 5.9297 6.0077 6.0077 6.9359 6.9359 8.4260 8.4260 9.3562 9.3562 9.6755 9.6755 12.3335 12.3335 13.2549 13.2549 14.6987 14.6987 15.4663 15.4663 k = 0.5354-0.8966-0.5404 ( 2158 PWs) bands (ev): -50.4261 -50.4261 -26.3414 -26.3414 -23.9791 -23.9791 -23.7360 -23.7360 -2.2681 -2.2681 -1.3190 -1.3190 4.2015 4.2015 5.8958 5.8958 6.0476 6.0476 6.9366 6.9366 8.4253 8.4253 9.3534 9.3534 9.6732 9.6732 12.3335 12.3335 13.2534 13.2534 14.7031 14.7031 15.4672 15.4672 k = 0.5531-0.8895-0.5361 ( 2156 PWs) bands (ev): -50.4261 -50.4261 -26.3413 -26.3413 -23.9791 -23.9791 -23.7360 -23.7360 -2.2672 -2.2672 -1.3205 -1.3205 4.1985 4.1985 5.8640 5.8640 6.0893 6.0893 6.9379 6.9379 8.4242 8.4242 9.3489 9.3489 9.6693 9.6693 12.3336 12.3336 13.2509 13.2509 14.7104 14.7104 15.4687 15.4687 k = 0.5708-0.8824-0.5318 ( 2160 PWs) bands (ev): -50.4261 -50.4261 -26.3413 -26.3413 -23.9791 -23.9791 -23.7360 -23.7360 -2.2658 -2.2658 -1.3225 -1.3225 4.1944 4.1944 5.8347 5.8347 6.1323 6.1323 6.9396 6.9396 8.4228 8.4228 9.3425 9.3425 9.6640 9.6640 12.3336 12.3336 13.2475 13.2475 14.7205 14.7205 15.4710 15.4710 k = 0.5884-0.8752-0.5275 ( 2161 PWs) bands (ev): -50.4261 -50.4261 -26.3413 -26.3413 -23.9791 -23.9791 -23.7360 -23.7360 -2.2641 -2.2641 -1.3251 -1.3251 4.1893 4.1893 5.8083 5.8083 6.1761 6.1761 6.9418 6.9418 8.4211 8.4211 9.3343 9.3343 9.6573 9.6573 12.3337 12.3337 13.2430 13.2430 14.7332 14.7332 15.4742 15.4742 k = 0.6061-0.8681-0.5232 ( 2159 PWs) bands (ev): -50.4261 -50.4261 -26.3413 -26.3413 -23.9790 -23.9790 -23.7360 -23.7360 -2.2620 -2.2620 -1.3283 -1.3283 4.1831 4.1831 5.7847 5.7847 6.2203 6.2203 6.9444 6.9444 8.4192 8.4192 9.3245 9.3245 9.6493 9.6493 12.3337 12.3337 13.2375 13.2375 14.7485 14.7485 15.4784 15.4784 k = 0.6238-0.8610-0.5189 ( 2158 PWs) bands (ev): -50.4261 -50.4261 -26.3413 -26.3413 -23.9790 -23.9790 -23.7360 -23.7360 -2.2596 -2.2596 -1.3320 -1.3320 4.1761 4.1761 5.7640 5.7640 6.2647 6.2647 6.9474 6.9474 8.4173 8.4173 9.3130 9.3130 9.6401 9.6401 12.3338 12.3338 13.2309 13.2309 14.7660 14.7660 15.4839 15.4839 k = 0.6415-0.8539-0.5146 ( 2155 PWs) bands (ev): -50.4261 -50.4261 -26.3412 -26.3412 -23.9789 -23.9789 -23.7360 -23.7360 -2.2568 -2.2568 -1.3362 -1.3362 4.1684 4.1684 5.7464 5.7464 6.3087 6.3087 6.9508 6.9508 8.4154 8.4154 9.3000 9.3000 9.6300 9.6300 12.3338 12.3338 13.2233 13.2233 14.7857 14.7857 15.4907 15.4907 k = 0.6592-0.8467-0.5103 ( 2155 PWs) bands (ev): -50.4261 -50.4261 -26.3412 -26.3412 -23.9788 -23.9788 -23.7360 -23.7360 -2.2538 -2.2538 -1.3409 -1.3409 4.1600 4.1600 5.7318 5.7318 6.3519 6.3519 6.9545 6.9545 8.4137 8.4137 9.2856 9.2856 9.6189 9.6189 12.3338 12.3338 13.2146 13.2146 14.8071 14.8071 15.4991 15.4991 k = 0.6769-0.8396-0.5060 ( 2158 PWs) bands (ev): -50.4261 -50.4261 -26.3412 -26.3412 -23.9788 -23.9788 -23.7360 -23.7360 -2.2505 -2.2505 -1.3461 -1.3461 4.1512 4.1512 5.7202 5.7202 6.3941 6.3941 6.9584 6.9584 8.4124 8.4124 9.2698 9.2698 9.6072 9.6072 12.3337 12.3337 13.2049 13.2049 14.8301 14.8301 15.5091 15.5091 k = 0.6946-0.8325-0.5017 ( 2158 PWs) bands (ev): -50.4262 -50.4262 -26.3411 -26.3411 -23.9787 -23.9787 -23.7360 -23.7360 -2.2469 -2.2469 -1.3518 -1.3518 4.1421 4.1421 5.7115 5.7115 6.4347 6.4347 6.9627 6.9627 8.4114 8.4114 9.2528 9.2528 9.5949 9.5949 12.3336 12.3336 13.1942 13.1943 14.8543 14.8543 15.5209 15.5209 k = 0.7123-0.8254-0.4974 ( 2159 PWs) bands (ev): -50.4262 -50.4262 -26.3411 -26.3411 -23.9786 -23.9786 -23.7360 -23.7360 -2.2431 -2.2431 -1.3578 -1.3578 4.1329 4.1329 5.7056 5.7056 6.4735 6.4735 6.9671 6.9671 8.4110 8.4110 9.2349 9.2349 9.5822 9.5822 12.3334 12.3334 13.1826 13.1826 14.8795 14.8795 15.5347 15.5347 k = 0.7300-0.8182-0.4931 ( 2157 PWs) bands (ev): -50.4262 -50.4262 -26.3410 -26.3410 -23.9785 -23.9785 -23.7360 -23.7360 -2.2391 -2.2391 -1.3643 -1.3643 4.1237 4.1237 5.7023 5.7023 6.5100 6.5100 6.9716 6.9716 8.4112 8.4112 9.2162 9.2162 9.5693 9.5693 12.3332 12.3332 13.1702 13.1702 14.9052 14.9052 15.5503 15.5503 k = 0.7476-0.8111-0.4888 ( 2154 PWs) bands (ev): -50.4261 -50.4261 -26.3409 -26.3409 -23.9784 -23.9784 -23.7360 -23.7360 -2.2349 -2.2349 -1.3711 -1.3711 4.1148 4.1148 5.7016 5.7016 6.5438 6.5438 6.9762 6.9762 8.4120 8.4120 9.1970 9.1970 9.5565 9.5565 12.3329 12.3329 13.1570 13.1570 14.9311 14.9311 15.5679 15.5679 k = 0.7653-0.8040-0.4845 ( 2153 PWs) bands (ev): -50.4262 -50.4262 -26.3409 -26.3409 -23.9782 -23.9782 -23.7359 -23.7359 -2.2307 -2.2307 -1.3781 -1.3781 4.1062 4.1062 5.7031 5.7031 6.5747 6.5747 6.9808 6.9808 8.4133 8.4133 9.1777 9.1777 9.5438 9.5438 12.3325 12.3325 13.1432 13.1432 14.9569 14.9569 15.5875 15.5875 k = 0.7830-0.7969-0.4803 ( 2151 PWs) bands (ev): -50.4261 -50.4261 -26.3408 -26.3408 -23.9781 -23.9781 -23.7359 -23.7359 -2.2264 -2.2264 -1.3854 -1.3854 4.0983 4.0983 5.7069 5.7069 6.6024 6.6024 6.9854 6.9854 8.4150 8.4150 9.1586 9.1586 9.5314 9.5314 12.3320 12.3320 13.1290 13.1290 14.9821 14.9821 15.6088 15.6088 k = 0.8007-0.7898-0.4760 ( 2157 PWs) bands (ev): -50.4263 -50.4263 -26.3408 -26.3408 -23.9780 -23.9780 -23.7360 -23.7360 -2.2220 -2.2220 -1.3930 -1.3930 4.0911 4.0911 5.7125 5.7125 6.6267 6.6267 6.9898 6.9898 8.4168 8.4168 9.1402 9.1402 9.5195 9.5195 12.3314 12.3314 13.1144 13.1144 15.0064 15.0064 15.6319 15.6319 k = 0.8184-0.7826-0.4717 ( 2157 PWs) bands (ev): -50.4263 -50.4263 -26.3407 -26.3407 -23.9779 -23.9779 -23.7360 -23.7360 -2.2177 -2.2177 -1.4006 -1.4006 4.0849 4.0849 5.7200 5.7200 6.6473 6.6473 6.9941 6.9941 8.4184 8.4184 9.1230 9.1230 9.5083 9.5083 12.3308 12.3308 13.0998 13.0998 15.0295 15.0295 15.6566 15.6566 Writing output data file MoS2.save init_run : 0.70s CPU 0.83s WALL ( 1 calls) electrons : 98.40s CPU 99.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 98.39s CPU 99.64s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 375 calls) cegterg : 86.69s CPU 87.63s WALL ( 377 calls) Called by sum_band: Called by *egterg: h_psi : 73.05s CPU 74.06s WALL ( 5214 calls) s_psi : 1.70s CPU 1.71s WALL ( 5214 calls) g_psi : 0.05s CPU 0.06s WALL ( 4462 calls) cdiaghg : 16.87s CPU 17.12s WALL ( 4837 calls) cegterg:over : 1.56s CPU 1.58s WALL ( 4462 calls) cegterg:upda : 1.02s CPU 1.04s WALL ( 4462 calls) cegterg:last : 0.89s CPU 0.79s WALL ( 1127 calls) cdiaghg:chol : 0.92s CPU 0.93s WALL ( 4837 calls) cdiaghg:inve : 0.33s CPU 0.40s WALL ( 4837 calls) cdiaghg:para : 1.05s CPU 1.04s WALL ( 9674 calls) Called by h_psi: h_psi:vloc : 69.20s CPU 70.22s WALL ( 5214 calls) h_psi:vnl : 3.80s CPU 3.79s WALL ( 5214 calls) add_vuspsi : 2.19s CPU 2.13s WALL ( 5214 calls) General routines calbec : 1.62s CPU 1.65s WALL ( 5214 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 64.90s CPU 65.75s WALL ( 448756 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.10s WALL ( 750 calls) Parallel routines fft_scatter : 15.02s CPU 15.51s WALL ( 448779 calls) PWSCF : 1m49.64s CPU 2m20.79s WALL This run was terminated on: 21: 1:56 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=