Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55: 9 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: ./RbN3.save/ file Rb.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 85 46 13 2721 1096 167 Max 86 47 14 2723 1114 169 Sum 3069 1685 479 97985 39843 6029 bravais-lattice index = 14 lattice parameter (alat) = 11.0263 a.u. unit-cell volume = 1009.7036 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.026261 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.416362 celldm(5)= -0.416362 celldm(6)= -0.167276 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.167276 0.985910 0.000000 ) a(3) = ( -0.416362 -0.492955 0.763962 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.169667 0.654483 ) b(2) = ( 0.000000 1.014291 0.654483 ) b(3) = ( 0.000000 0.000000 1.308966 ) PseudoPot. # 1 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 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 N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Rb 9.00 85.46780 Rb( 1.00) N 5.00 14.00670 N( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.4163620 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.4929551 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.4163620 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.4929551 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 291 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0000000 0.0000000 0.0181801), wk = 0.0034364 k( 3) = ( 0.0000000 0.0000000 0.0363602), wk = 0.0034364 k( 4) = ( 0.0000000 0.0000000 0.0545402), wk = 0.0034364 k( 5) = ( 0.0000000 0.0000000 0.0727203), wk = 0.0034364 k( 6) = ( 0.0000000 0.0000000 0.0909004), wk = 0.0034364 k( 7) = ( 0.0000000 0.0000000 0.1090805), wk = 0.0034364 k( 8) = ( 0.0000000 0.0000000 0.1272605), wk = 0.0034364 k( 9) = ( 0.0000000 0.0000000 0.1454406), wk = 0.0034364 k( 10) = ( 0.0000000 0.0000000 0.1636207), wk = 0.0034364 k( 11) = ( 0.0000000 0.0000000 0.1818008), wk = 0.0034364 k( 12) = ( 0.0000000 0.0000000 0.1999809), wk = 0.0034364 k( 13) = ( 0.0000000 0.0000000 0.2181609), wk = 0.0034364 k( 14) = ( 0.0000000 0.0000000 0.2363410), wk = 0.0034364 k( 15) = ( 0.0000000 0.0000000 0.2545211), wk = 0.0034364 k( 16) = ( 0.0000000 0.0000000 0.2727012), wk = 0.0034364 k( 17) = ( 0.0000000 0.0000000 0.2908812), wk = 0.0034364 k( 18) = ( 0.0000000 0.0000000 0.3090613), wk = 0.0034364 k( 19) = ( 0.0000000 0.0000000 0.3272414), wk = 0.0034364 k( 20) = ( 0.0000000 0.0000000 0.3454215), wk = 0.0034364 k( 21) = ( 0.0000000 0.0000000 0.3636016), wk = 0.0034364 k( 22) = ( 0.0000000 0.0000000 0.3817816), wk = 0.0034364 k( 23) = ( 0.0000000 0.0000000 0.3999617), wk = 0.0034364 k( 24) = ( 0.0000000 0.0000000 0.4181418), wk = 0.0034364 k( 25) = ( 0.0000000 0.0000000 0.4363219), wk = 0.0034364 k( 26) = ( 0.0000000 0.0000000 0.4545019), wk = 0.0034364 k( 27) = ( 0.0000000 0.0000000 0.4726820), wk = 0.0034364 k( 28) = ( 0.0000000 0.0000000 0.4908621), wk = 0.0034364 k( 29) = ( 0.0000000 0.0000000 0.5090422), wk = 0.0034364 k( 30) = ( 0.0000000 0.0000000 0.5272222), wk = 0.0034364 k( 31) = ( 0.0000000 0.0000000 0.5454023), wk = 0.0034364 k( 32) = ( 0.0000000 0.0000000 0.5635824), wk = 0.0034364 k( 33) = ( 0.0000000 0.0000000 0.5817625), wk = 0.0034364 k( 34) = ( 0.0000000 0.0000000 0.5999425), wk = 0.0034364 k( 35) = ( 0.0000000 0.0000000 0.6181226), wk = 0.0034364 k( 36) = ( 0.0000000 0.0000000 0.6363027), wk = 0.0034364 k( 37) = ( 0.0000000 0.0000000 0.6544828), wk = 0.0034364 k( 38) = ( 0.0000000 0.0000000 0.6544828), wk = 0.0034364 k( 39) = ( -0.0140176 0.0118396 0.6544828), wk = 0.0034364 k( 40) = ( -0.0280351 0.0236792 0.6544828), wk = 0.0034364 k( 41) = ( -0.0420527 0.0355187 0.6544828), wk = 0.0034364 k( 42) = ( -0.0560702 0.0473583 0.6544828), wk = 0.0034364 k( 43) = ( -0.0700878 0.0591979 0.6544828), wk = 0.0034364 k( 44) = ( -0.0841054 0.0710375 0.6544828), wk = 0.0034364 k( 45) = ( -0.0981229 0.0828770 0.6544828), wk = 0.0034364 k( 46) = ( -0.1121405 0.0947166 0.6544828), wk = 0.0034364 k( 47) = ( -0.1261580 0.1065562 0.6544828), wk = 0.0034364 k( 48) = ( -0.1401756 0.1183958 0.6544828), wk = 0.0034364 k( 49) = ( -0.1541932 0.1302354 0.6544828), wk = 0.0034364 k( 50) = ( -0.1682107 0.1420749 0.6544828), wk = 0.0034364 k( 51) = ( -0.1822283 0.1539145 0.6544828), wk = 0.0034364 k( 52) = ( -0.1962458 0.1657541 0.6544828), wk = 0.0034364 k( 53) = ( -0.2102634 0.1775937 0.6544828), wk = 0.0034364 k( 54) = ( -0.2242810 0.1894332 0.6544828), wk = 0.0034364 k( 55) = ( -0.2382985 0.2012728 0.6544828), wk = 0.0034364 k( 56) = ( -0.2523161 0.2131124 0.6544828), wk = 0.0034364 k( 57) = ( -0.2663337 0.2249520 0.6544828), wk = 0.0034364 k( 58) = ( -0.2803512 0.2367916 0.6544828), wk = 0.0034364 k( 59) = ( -0.2943688 0.2486311 0.6544828), wk = 0.0034364 k( 60) = ( -0.3083863 0.2604707 0.6544828), wk = 0.0034364 k( 61) = ( -0.3224039 0.2723103 0.6544828), wk = 0.0034364 k( 62) = ( -0.3364215 0.2841499 0.6544828), wk = 0.0034364 k( 63) = ( -0.3504390 0.2959894 0.6544828), wk = 0.0034364 k( 64) = ( -0.3504390 0.2959894 0.6544828), wk = 0.0034364 k( 65) = ( -0.3597866 0.3038846 0.6422472), wk = 0.0034364 k( 66) = ( -0.3691341 0.3117798 0.6300115), wk = 0.0034364 k( 67) = ( -0.3784817 0.3196750 0.6177759), wk = 0.0034364 k( 68) = ( -0.3878293 0.3275702 0.6055402), wk = 0.0034364 k( 69) = ( -0.3971768 0.3354654 0.5933046), wk = 0.0034364 k( 70) = ( -0.4065244 0.3433605 0.5810690), wk = 0.0034364 k( 71) = ( -0.4158719 0.3512557 0.5688333), wk = 0.0034364 k( 72) = ( -0.4252195 0.3591509 0.5565977), wk = 0.0034364 k( 73) = ( -0.4252195 0.3591509 0.5565977), wk = 0.0034364 k( 74) = ( -0.4153307 0.3507986 0.5436536), wk = 0.0034364 k( 75) = ( -0.4054419 0.3424462 0.5307094), wk = 0.0034364 k( 76) = ( -0.3955530 0.3340939 0.5177653), wk = 0.0034364 k( 77) = ( -0.3856642 0.3257415 0.5048212), wk = 0.0034364 k( 78) = ( -0.3757754 0.3173892 0.4918770), wk = 0.0034364 k( 79) = ( -0.3658866 0.3090368 0.4789329), wk = 0.0034364 k( 80) = ( -0.3559977 0.3006845 0.4659888), wk = 0.0034364 k( 81) = ( -0.3461089 0.2923321 0.4530446), wk = 0.0034364 k( 82) = ( -0.3362201 0.2839798 0.4401005), wk = 0.0034364 k( 83) = ( -0.3263313 0.2756274 0.4271564), wk = 0.0034364 k( 84) = ( -0.3164424 0.2672751 0.4142122), wk = 0.0034364 k( 85) = ( -0.3065536 0.2589227 0.4012681), wk = 0.0034364 k( 86) = ( -0.2966648 0.2505704 0.3883240), wk = 0.0034364 k( 87) = ( -0.2867760 0.2422180 0.3753798), wk = 0.0034364 k( 88) = ( -0.2768871 0.2338657 0.3624357), wk = 0.0034364 k( 89) = ( -0.2669983 0.2255134 0.3494916), wk = 0.0034364 k( 90) = ( -0.2571095 0.2171610 0.3365474), wk = 0.0034364 k( 91) = ( -0.2472206 0.2088087 0.3236033), wk = 0.0034364 k( 92) = ( -0.2373318 0.2004563 0.3106592), wk = 0.0034364 k( 93) = ( -0.2274430 0.1921040 0.2977150), wk = 0.0034364 k( 94) = ( -0.2175542 0.1837516 0.2847709), wk = 0.0034364 k( 95) = ( -0.2076653 0.1753993 0.2718268), wk = 0.0034364 k( 96) = ( -0.1977765 0.1670469 0.2588827), wk = 0.0034364 k( 97) = ( -0.1878877 0.1586946 0.2459385), wk = 0.0034364 k( 98) = ( -0.1779989 0.1503422 0.2329944), wk = 0.0034364 k( 99) = ( -0.1681100 0.1419899 0.2200503), wk = 0.0034364 k( 100) = ( -0.1582212 0.1336375 0.2071061), wk = 0.0034364 k( 101) = ( -0.1483324 0.1252852 0.1941620), wk = 0.0034364 k( 102) = ( -0.1384436 0.1169328 0.1812179), wk = 0.0034364 k( 103) = ( -0.1285547 0.1085805 0.1682737), wk = 0.0034364 k( 104) = ( -0.1186659 0.1002282 0.1553296), wk = 0.0034364 k( 105) = ( -0.1087771 0.0918758 0.1423855), wk = 0.0034364 k( 106) = ( -0.0988883 0.0835235 0.1294413), wk = 0.0034364 k( 107) = ( -0.0889994 0.0751711 0.1164972), wk = 0.0034364 k( 108) = ( -0.0791106 0.0668188 0.1035531), wk = 0.0034364 k( 109) = ( -0.0692218 0.0584664 0.0906089), wk = 0.0034364 k( 110) = ( -0.0593330 0.0501141 0.0776648), wk = 0.0034364 k( 111) = ( -0.0494441 0.0417617 0.0647207), wk = 0.0034364 k( 112) = ( -0.0395553 0.0334094 0.0517765), wk = 0.0034364 k( 113) = ( -0.0296665 0.0250570 0.0388324), wk = 0.0034364 k( 114) = ( -0.0197777 0.0167047 0.0258883), wk = 0.0034364 k( 115) = ( -0.0098888 0.0083523 0.0129441), wk = 0.0034364 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 118) = ( 0.0119048 0.0140947 -0.0000000), wk = 0.0034364 k( 119) = ( 0.0238095 0.0281895 -0.0000000), wk = 0.0034364 k( 120) = ( 0.0357143 0.0422842 -0.0000000), wk = 0.0034364 k( 121) = ( 0.0476191 0.0563789 -0.0000000), wk = 0.0034364 k( 122) = ( 0.0595238 0.0704737 -0.0000000), wk = 0.0034364 k( 123) = ( 0.0714286 0.0845684 -0.0000000), wk = 0.0034364 k( 124) = ( 0.0833333 0.0986631 -0.0000000), wk = 0.0034364 k( 125) = ( 0.0952381 0.1127579 -0.0000000), wk = 0.0034364 k( 126) = ( 0.1071429 0.1268526 -0.0000000), wk = 0.0034364 k( 127) = ( 0.1190476 0.1409474 -0.0000000), wk = 0.0034364 k( 128) = ( 0.1309524 0.1550421 -0.0000000), wk = 0.0034364 k( 129) = ( 0.1428571 0.1691368 -0.0000000), wk = 0.0034364 k( 130) = ( 0.1547619 0.1832316 -0.0000000), wk = 0.0034364 k( 131) = ( 0.1666667 0.1973263 -0.0000000), wk = 0.0034364 k( 132) = ( 0.1785714 0.2114210 -0.0000000), wk = 0.0034364 k( 133) = ( 0.1904762 0.2255158 -0.0000000), wk = 0.0034364 k( 134) = ( 0.2023810 0.2396105 -0.0000000), wk = 0.0034364 k( 135) = ( 0.2142857 0.2537052 -0.0000000), wk = 0.0034364 k( 136) = ( 0.2261905 0.2678000 -0.0000000), wk = 0.0034364 k( 137) = ( 0.2380952 0.2818947 -0.0000000), wk = 0.0034364 k( 138) = ( 0.2500000 0.2959895 -0.0000000), wk = 0.0034364 k( 139) = ( 0.2619048 0.3100842 -0.0000000), wk = 0.0034364 k( 140) = ( 0.2738095 0.3241789 -0.0000000), wk = 0.0034364 k( 141) = ( 0.2857143 0.3382737 -0.0000000), wk = 0.0034364 k( 142) = ( 0.2976190 0.3523684 -0.0000000), wk = 0.0034364 k( 143) = ( 0.3095238 0.3664631 -0.0000000), wk = 0.0034364 k( 144) = ( 0.3214286 0.3805579 -0.0000000), wk = 0.0034364 k( 145) = ( 0.3333333 0.3946526 -0.0000000), wk = 0.0034364 k( 146) = ( 0.3452381 0.4087473 -0.0000000), wk = 0.0034364 k( 147) = ( 0.3571429 0.4228421 -0.0000000), wk = 0.0034364 k( 148) = ( 0.3690476 0.4369368 -0.0000000), wk = 0.0034364 k( 149) = ( 0.3809524 0.4510315 -0.0000000), wk = 0.0034364 k( 150) = ( 0.3928571 0.4651263 -0.0000000), wk = 0.0034364 k( 151) = ( 0.4047619 0.4792210 -0.0000000), wk = 0.0034364 k( 152) = ( 0.4166667 0.4933158 -0.0000000), wk = 0.0034364 k( 153) = ( 0.4285714 0.5074105 -0.0000000), wk = 0.0034364 k( 154) = ( 0.4404762 0.5215052 -0.0000000), wk = 0.0034364 k( 155) = ( 0.4523810 0.5356000 -0.0000000), wk = 0.0034364 k( 156) = ( 0.4642857 0.5496947 -0.0000000), wk = 0.0034364 k( 157) = ( 0.4761905 0.5637894 -0.0000000), wk = 0.0034364 k( 158) = ( 0.4880952 0.5778842 -0.0000000), wk = 0.0034364 k( 159) = ( 0.5000000 0.5919789 -0.0000000), wk = 0.0034364 k( 160) = ( 0.5000000 0.5919789 -0.0000000), wk = 0.0034364 k( 161) = ( 0.4906524 0.5998741 0.0122356), wk = 0.0034364 k( 162) = ( 0.4813049 0.6077693 0.0244713), wk = 0.0034364 k( 163) = ( 0.4719573 0.6156644 0.0367069), wk = 0.0034364 k( 164) = ( 0.4626098 0.6235596 0.0489425), wk = 0.0034364 k( 165) = ( 0.4532622 0.6314548 0.0611782), wk = 0.0034364 k( 166) = ( 0.4439146 0.6393500 0.0734138), wk = 0.0034364 k( 167) = ( 0.4345671 0.6472452 0.0856495), wk = 0.0034364 k( 168) = ( 0.4252195 0.6551404 0.0978851), wk = 0.0034364 k( 169) = ( 0.4252195 0.6551404 0.0978851), wk = 0.0034364 k( 170) = ( 0.4100331 0.6498548 0.1060764), wk = 0.0034364 k( 171) = ( 0.3948467 0.6445693 0.1142677), wk = 0.0034364 k( 172) = ( 0.3796603 0.6392838 0.1224590), wk = 0.0034364 k( 173) = ( 0.3644739 0.6339982 0.1306503), wk = 0.0034364 k( 174) = ( 0.3492875 0.6287127 0.1388416), wk = 0.0034364 k( 175) = ( 0.3341010 0.6234272 0.1470329), wk = 0.0034364 k( 176) = ( 0.3189146 0.6181417 0.1552242), wk = 0.0034364 k( 177) = ( 0.3037282 0.6128561 0.1634155), wk = 0.0034364 k( 178) = ( 0.2885418 0.6075706 0.1716068), wk = 0.0034364 k( 179) = ( 0.2733554 0.6022851 0.1797981), wk = 0.0034364 k( 180) = ( 0.2581690 0.5969996 0.1879893), wk = 0.0034364 k( 181) = ( 0.2429826 0.5917140 0.1961806), wk = 0.0034364 k( 182) = ( 0.2277962 0.5864285 0.2043719), wk = 0.0034364 k( 183) = ( 0.2126098 0.5811430 0.2125632), wk = 0.0034364 k( 184) = ( 0.1974233 0.5758575 0.2207545), wk = 0.0034364 k( 185) = ( 0.1822369 0.5705719 0.2289458), wk = 0.0034364 k( 186) = ( 0.1670505 0.5652864 0.2371371), wk = 0.0034364 k( 187) = ( 0.1518641 0.5600009 0.2453284), wk = 0.0034364 k( 188) = ( 0.1366777 0.5547154 0.2535197), wk = 0.0034364 k( 189) = ( 0.1214913 0.5494298 0.2617110), wk = 0.0034364 k( 190) = ( 0.1063049 0.5441443 0.2699023), wk = 0.0034364 k( 191) = ( 0.0911185 0.5388588 0.2780936), wk = 0.0034364 k( 192) = ( 0.0759321 0.5335733 0.2862849), wk = 0.0034364 k( 193) = ( 0.0607456 0.5282877 0.2944762), wk = 0.0034364 k( 194) = ( 0.0455592 0.5230022 0.3026675), wk = 0.0034364 k( 195) = ( 0.0303728 0.5177167 0.3108588), wk = 0.0034364 k( 196) = ( 0.0151864 0.5124311 0.3190501), wk = 0.0034364 k( 197) = ( 0.0000000 0.5071456 0.3272414), wk = 0.0034364 k( 198) = ( 0.0000000 0.5071456 0.3272414), wk = 0.0034364 k( 199) = ( 0.0100000 0.4986994 0.3403310), wk = 0.0034364 k( 200) = ( 0.0200000 0.4902531 0.3534207), wk = 0.0034364 k( 201) = ( 0.0300000 0.4818069 0.3665104), wk = 0.0034364 k( 202) = ( 0.0400000 0.4733606 0.3796000), wk = 0.0034364 k( 203) = ( 0.0500000 0.4649144 0.3926897), wk = 0.0034364 k( 204) = ( 0.0600000 0.4564681 0.4057793), wk = 0.0034364 k( 205) = ( 0.0700000 0.4480219 0.4188690), wk = 0.0034364 k( 206) = ( 0.0800000 0.4395756 0.4319586), wk = 0.0034364 k( 207) = ( 0.0900000 0.4311294 0.4450483), wk = 0.0034364 k( 208) = ( 0.1000000 0.4226832 0.4581380), wk = 0.0034364 k( 209) = ( 0.1100000 0.4142369 0.4712276), wk = 0.0034364 k( 210) = ( 0.1200000 0.4057907 0.4843173), wk = 0.0034364 k( 211) = ( 0.1300000 0.3973444 0.4974069), wk = 0.0034364 k( 212) = ( 0.1400000 0.3888982 0.5104966), wk = 0.0034364 k( 213) = ( 0.1500000 0.3804519 0.5235862), wk = 0.0034364 k( 214) = ( 0.1600000 0.3720057 0.5366759), wk = 0.0034364 k( 215) = ( 0.1700000 0.3635594 0.5497655), wk = 0.0034364 k( 216) = ( 0.1800000 0.3551132 0.5628552), wk = 0.0034364 k( 217) = ( 0.1900000 0.3466669 0.5759449), wk = 0.0034364 k( 218) = ( 0.2000000 0.3382207 0.5890345), wk = 0.0034364 k( 219) = ( 0.2100000 0.3297744 0.6021242), wk = 0.0034364 k( 220) = ( 0.2200000 0.3213282 0.6152138), wk = 0.0034364 k( 221) = ( 0.2300000 0.3128819 0.6283035), wk = 0.0034364 k( 222) = ( 0.2400000 0.3044357 0.6413931), wk = 0.0034364 k( 223) = ( 0.2500000 0.2959895 0.6544828), wk = 0.0034364 k( 224) = ( 0.2500000 0.2959895 0.6544828), wk = 0.0034364 k( 225) = ( 0.2575758 0.3049588 0.6405824), wk = 0.0034364 k( 226) = ( 0.2651515 0.3139282 0.6266820), wk = 0.0034364 k( 227) = ( 0.2727273 0.3228976 0.6127816), wk = 0.0034364 k( 228) = ( 0.2803030 0.3318670 0.5988813), wk = 0.0034364 k( 229) = ( 0.2878788 0.3408363 0.5849809), wk = 0.0034364 k( 230) = ( 0.2954545 0.3498057 0.5710805), wk = 0.0034364 k( 231) = ( 0.3030303 0.3587751 0.5571801), wk = 0.0034364 k( 232) = ( 0.3106061 0.3677445 0.5432797), wk = 0.0034364 k( 233) = ( 0.3181818 0.3767139 0.5293793), wk = 0.0034364 k( 234) = ( 0.3257576 0.3856832 0.5154790), wk = 0.0034364 k( 235) = ( 0.3333333 0.3946526 0.5015786), wk = 0.0034364 k( 236) = ( 0.3409091 0.4036220 0.4876782), wk = 0.0034364 k( 237) = ( 0.3484849 0.4125914 0.4737778), wk = 0.0034364 k( 238) = ( 0.3560606 0.4215607 0.4598774), wk = 0.0034364 k( 239) = ( 0.3636364 0.4305301 0.4459770), wk = 0.0034364 k( 240) = ( 0.3712121 0.4394995 0.4320767), wk = 0.0034364 k( 241) = ( 0.3787879 0.4484689 0.4181763), wk = 0.0034364 k( 242) = ( 0.3863636 0.4574382 0.4042759), wk = 0.0034364 k( 243) = ( 0.3939394 0.4664076 0.3903755), wk = 0.0034364 k( 244) = ( 0.4015151 0.4753770 0.3764751), wk = 0.0034364 k( 245) = ( 0.4090909 0.4843464 0.3625748), wk = 0.0034364 k( 246) = ( 0.4166667 0.4933158 0.3486744), wk = 0.0034364 k( 247) = ( 0.4242424 0.5022851 0.3347740), wk = 0.0034364 k( 248) = ( 0.4318182 0.5112545 0.3208736), wk = 0.0034364 k( 249) = ( 0.4393939 0.5202239 0.3069732), wk = 0.0034364 k( 250) = ( 0.4469697 0.5291933 0.2930728), wk = 0.0034364 k( 251) = ( 0.4545455 0.5381626 0.2791725), wk = 0.0034364 k( 252) = ( 0.4621212 0.5471320 0.2652721), wk = 0.0034364 k( 253) = ( 0.4696970 0.5561014 0.2513717), wk = 0.0034364 k( 254) = ( 0.4772727 0.5650708 0.2374713), wk = 0.0034364 k( 255) = ( 0.4848485 0.5740401 0.2235709), wk = 0.0034364 k( 256) = ( 0.4924242 0.5830095 0.2096706), wk = 0.0034364 k( 257) = ( 0.5000000 0.5919789 0.1957702), wk = 0.0034364 k( 258) = ( 0.5000000 0.5919789 0.1957702), wk = 0.0034364 k( 259) = ( 0.5000000 0.5919789 0.1779729), wk = 0.0034364 k( 260) = ( 0.5000000 0.5919789 0.1601756), wk = 0.0034364 k( 261) = ( 0.5000000 0.5919789 0.1423783), wk = 0.0034364 k( 262) = ( 0.5000000 0.5919789 0.1245810), wk = 0.0034364 k( 263) = ( 0.5000000 0.5919789 0.1067837), wk = 0.0034364 k( 264) = ( 0.5000000 0.5919789 0.0889864), wk = 0.0034364 k( 265) = ( 0.5000000 0.5919789 0.0711892), wk = 0.0034364 k( 266) = ( 0.5000000 0.5919789 0.0533919), wk = 0.0034364 k( 267) = ( 0.5000000 0.5919789 0.0355946), wk = 0.0034364 k( 268) = ( 0.5000000 0.5919789 0.0177973), wk = 0.0034364 k( 269) = ( 0.5000000 0.5919789 -0.0000000), wk = 0.0034364 k( 270) = ( 0.0000000 0.0000000 0.6544828), wk = 0.0034364 k( 271) = ( 0.0119048 0.0140947 0.6544828), wk = 0.0034364 k( 272) = ( 0.0238095 0.0281895 0.6544828), wk = 0.0034364 k( 273) = ( 0.0357143 0.0422842 0.6544828), wk = 0.0034364 k( 274) = ( 0.0476191 0.0563789 0.6544828), wk = 0.0034364 k( 275) = ( 0.0595238 0.0704737 0.6544828), wk = 0.0034364 k( 276) = ( 0.0714286 0.0845684 0.6544828), wk = 0.0034364 k( 277) = ( 0.0833333 0.0986631 0.6544828), wk = 0.0034364 k( 278) = ( 0.0952381 0.1127579 0.6544828), wk = 0.0034364 k( 279) = ( 0.1071429 0.1268526 0.6544828), wk = 0.0034364 k( 280) = ( 0.1190476 0.1409474 0.6544828), wk = 0.0034364 k( 281) = ( 0.1309524 0.1550421 0.6544828), wk = 0.0034364 k( 282) = ( 0.1428571 0.1691368 0.6544828), wk = 0.0034364 k( 283) = ( 0.1547619 0.1832316 0.6544828), wk = 0.0034364 k( 284) = ( 0.1666667 0.1973263 0.6544828), wk = 0.0034364 k( 285) = ( 0.1785714 0.2114210 0.6544828), wk = 0.0034364 k( 286) = ( 0.1904762 0.2255158 0.6544828), wk = 0.0034364 k( 287) = ( 0.2023810 0.2396105 0.6544828), wk = 0.0034364 k( 288) = ( 0.2142857 0.2537052 0.6544828), wk = 0.0034364 k( 289) = ( 0.2261905 0.2678000 0.6544828), wk = 0.0034364 k( 290) = ( 0.2380952 0.2818947 0.6544828), wk = 0.0034364 k( 291) = ( 0.2500000 0.2959895 0.6544828), wk = 0.0034364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 2) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0034364 k( 3) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0034364 k( 4) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0034364 k( 5) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0034364 k( 6) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0034364 k( 7) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0034364 k( 8) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0034364 k( 9) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0034364 k( 10) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0034364 k( 11) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0034364 k( 12) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0034364 k( 13) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034364 k( 14) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0034364 k( 15) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0034364 k( 16) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0034364 k( 17) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0034364 k( 18) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0034364 k( 19) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034364 k( 20) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0034364 k( 21) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0034364 k( 22) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0034364 k( 23) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0034364 k( 24) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0034364 k( 25) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034364 k( 26) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0034364 k( 27) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0034364 k( 28) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0034364 k( 29) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0034364 k( 30) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0034364 k( 31) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0034364 k( 32) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0034364 k( 33) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0034364 k( 34) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0034364 k( 35) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0034364 k( 36) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0034364 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034364 k( 38) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034364 k( 39) = ( -0.0140176 0.0140176 0.5000000), wk = 0.0034364 k( 40) = ( -0.0280351 0.0280351 0.5000000), wk = 0.0034364 k( 41) = ( -0.0420527 0.0420527 0.5000000), wk = 0.0034364 k( 42) = ( -0.0560702 0.0560702 0.5000000), wk = 0.0034364 k( 43) = ( -0.0700878 0.0700878 0.5000000), wk = 0.0034364 k( 44) = ( -0.0841054 0.0841054 0.5000000), wk = 0.0034364 k( 45) = ( -0.0981229 0.0981229 0.5000000), wk = 0.0034364 k( 46) = ( -0.1121405 0.1121405 0.5000000), wk = 0.0034364 k( 47) = ( -0.1261580 0.1261581 0.5000000), wk = 0.0034364 k( 48) = ( -0.1401756 0.1401756 0.5000000), wk = 0.0034364 k( 49) = ( -0.1541932 0.1541932 0.5000000), wk = 0.0034364 k( 50) = ( -0.1682107 0.1682107 0.5000000), wk = 0.0034364 k( 51) = ( -0.1822283 0.1822283 0.5000000), wk = 0.0034364 k( 52) = ( -0.1962458 0.1962459 0.5000000), wk = 0.0034364 k( 53) = ( -0.2102634 0.2102634 0.5000000), wk = 0.0034364 k( 54) = ( -0.2242810 0.2242810 0.5000000), wk = 0.0034364 k( 55) = ( -0.2382985 0.2382985 0.5000000), wk = 0.0034364 k( 56) = ( -0.2523161 0.2523161 0.5000000), wk = 0.0034364 k( 57) = ( -0.2663337 0.2663337 0.5000000), wk = 0.0034364 k( 58) = ( -0.2803512 0.2803512 0.5000000), wk = 0.0034364 k( 59) = ( -0.2943688 0.2943688 0.5000000), wk = 0.0034364 k( 60) = ( -0.3083863 0.3083863 0.5000000), wk = 0.0034364 k( 61) = ( -0.3224039 0.3224039 0.5000000), wk = 0.0034364 k( 62) = ( -0.3364215 0.3364215 0.5000000), wk = 0.0034364 k( 63) = ( -0.3504390 0.3504390 0.5000000), wk = 0.0034364 k( 64) = ( -0.3504390 0.3504390 0.5000000), wk = 0.0034364 k( 65) = ( -0.3597866 0.3597866 0.4906524), wk = 0.0034364 k( 66) = ( -0.3691341 0.3691341 0.4813049), wk = 0.0034364 k( 67) = ( -0.3784817 0.3784817 0.4719573), wk = 0.0034364 k( 68) = ( -0.3878293 0.3878293 0.4626098), wk = 0.0034364 k( 69) = ( -0.3971768 0.3971768 0.4532622), wk = 0.0034364 k( 70) = ( -0.4065244 0.4065244 0.4439146), wk = 0.0034364 k( 71) = ( -0.4158719 0.4158720 0.4345671), wk = 0.0034364 k( 72) = ( -0.4252195 0.4252195 0.4252195), wk = 0.0034364 k( 73) = ( -0.4252195 0.4252195 0.4252195), wk = 0.0034364 k( 74) = ( -0.4153307 0.4153307 0.4153307), wk = 0.0034364 k( 75) = ( -0.4054419 0.4054419 0.4054419), wk = 0.0034364 k( 76) = ( -0.3955530 0.3955530 0.3955530), wk = 0.0034364 k( 77) = ( -0.3856642 0.3856642 0.3856642), wk = 0.0034364 k( 78) = ( -0.3757754 0.3757754 0.3757754), wk = 0.0034364 k( 79) = ( -0.3658866 0.3658866 0.3658866), wk = 0.0034364 k( 80) = ( -0.3559977 0.3559977 0.3559977), wk = 0.0034364 k( 81) = ( -0.3461089 0.3461089 0.3461089), wk = 0.0034364 k( 82) = ( -0.3362201 0.3362201 0.3362201), wk = 0.0034364 k( 83) = ( -0.3263313 0.3263313 0.3263313), wk = 0.0034364 k( 84) = ( -0.3164424 0.3164424 0.3164424), wk = 0.0034364 k( 85) = ( -0.3065536 0.3065536 0.3065536), wk = 0.0034364 k( 86) = ( -0.2966648 0.2966648 0.2966648), wk = 0.0034364 k( 87) = ( -0.2867760 0.2867760 0.2867760), wk = 0.0034364 k( 88) = ( -0.2768871 0.2768871 0.2768871), wk = 0.0034364 k( 89) = ( -0.2669983 0.2669983 0.2669983), wk = 0.0034364 k( 90) = ( -0.2571095 0.2571095 0.2571095), wk = 0.0034364 k( 91) = ( -0.2472206 0.2472206 0.2472206), wk = 0.0034364 k( 92) = ( -0.2373318 0.2373318 0.2373318), wk = 0.0034364 k( 93) = ( -0.2274430 0.2274430 0.2274430), wk = 0.0034364 k( 94) = ( -0.2175542 0.2175542 0.2175542), wk = 0.0034364 k( 95) = ( -0.2076653 0.2076653 0.2076653), wk = 0.0034364 k( 96) = ( -0.1977765 0.1977765 0.1977765), wk = 0.0034364 k( 97) = ( -0.1878877 0.1878877 0.1878877), wk = 0.0034364 k( 98) = ( -0.1779989 0.1779989 0.1779989), wk = 0.0034364 k( 99) = ( -0.1681100 0.1681100 0.1681100), wk = 0.0034364 k( 100) = ( -0.1582212 0.1582212 0.1582212), wk = 0.0034364 k( 101) = ( -0.1483324 0.1483324 0.1483324), wk = 0.0034364 k( 102) = ( -0.1384436 0.1384436 0.1384436), wk = 0.0034364 k( 103) = ( -0.1285547 0.1285547 0.1285547), wk = 0.0034364 k( 104) = ( -0.1186659 0.1186659 0.1186659), wk = 0.0034364 k( 105) = ( -0.1087771 0.1087771 0.1087771), wk = 0.0034364 k( 106) = ( -0.0988883 0.0988883 0.0988883), wk = 0.0034364 k( 107) = ( -0.0889994 0.0889994 0.0889994), wk = 0.0034364 k( 108) = ( -0.0791106 0.0791106 0.0791106), wk = 0.0034364 k( 109) = ( -0.0692218 0.0692218 0.0692218), wk = 0.0034364 k( 110) = ( -0.0593330 0.0593330 0.0593330), wk = 0.0034364 k( 111) = ( -0.0494441 0.0494441 0.0494441), wk = 0.0034364 k( 112) = ( -0.0395553 0.0395553 0.0395553), wk = 0.0034364 k( 113) = ( -0.0296665 0.0296665 0.0296665), wk = 0.0034364 k( 114) = ( -0.0197777 0.0197777 0.0197777), wk = 0.0034364 k( 115) = ( -0.0098888 0.0098888 0.0098888), wk = 0.0034364 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034364 k( 118) = ( 0.0119048 0.0119048 -0.0119048), wk = 0.0034364 k( 119) = ( 0.0238095 0.0238095 -0.0238095), wk = 0.0034364 k( 120) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0034364 k( 121) = ( 0.0476191 0.0476191 -0.0476191), wk = 0.0034364 k( 122) = ( 0.0595238 0.0595238 -0.0595238), wk = 0.0034364 k( 123) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0034364 k( 124) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0034364 k( 125) = ( 0.0952381 0.0952381 -0.0952381), wk = 0.0034364 k( 126) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0034364 k( 127) = ( 0.1190476 0.1190476 -0.1190476), wk = 0.0034364 k( 128) = ( 0.1309524 0.1309524 -0.1309524), wk = 0.0034364 k( 129) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0034364 k( 130) = ( 0.1547619 0.1547619 -0.1547619), wk = 0.0034364 k( 131) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0034364 k( 132) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0034364 k( 133) = ( 0.1904762 0.1904762 -0.1904762), wk = 0.0034364 k( 134) = ( 0.2023810 0.2023810 -0.2023810), wk = 0.0034364 k( 135) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0034364 k( 136) = ( 0.2261905 0.2261905 -0.2261905), wk = 0.0034364 k( 137) = ( 0.2380952 0.2380952 -0.2380952), wk = 0.0034364 k( 138) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0034364 k( 139) = ( 0.2619048 0.2619048 -0.2619048), wk = 0.0034364 k( 140) = ( 0.2738095 0.2738095 -0.2738095), wk = 0.0034364 k( 141) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0034364 k( 142) = ( 0.2976190 0.2976190 -0.2976190), wk = 0.0034364 k( 143) = ( 0.3095238 0.3095238 -0.3095238), wk = 0.0034364 k( 144) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0034364 k( 145) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0034364 k( 146) = ( 0.3452381 0.3452381 -0.3452381), wk = 0.0034364 k( 147) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0034364 k( 148) = ( 0.3690476 0.3690476 -0.3690476), wk = 0.0034364 k( 149) = ( 0.3809524 0.3809524 -0.3809524), wk = 0.0034364 k( 150) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0034364 k( 151) = ( 0.4047619 0.4047619 -0.4047619), wk = 0.0034364 k( 152) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0034364 k( 153) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0034364 k( 154) = ( 0.4404762 0.4404762 -0.4404762), wk = 0.0034364 k( 155) = ( 0.4523810 0.4523810 -0.4523810), wk = 0.0034364 k( 156) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0034364 k( 157) = ( 0.4761905 0.4761905 -0.4761905), wk = 0.0034364 k( 158) = ( 0.4880952 0.4880952 -0.4880952), wk = 0.0034364 k( 159) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034364 k( 160) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034364 k( 161) = ( 0.4906524 0.5093476 -0.4906524), wk = 0.0034364 k( 162) = ( 0.4813049 0.5186951 -0.4813049), wk = 0.0034364 k( 163) = ( 0.4719573 0.5280427 -0.4719573), wk = 0.0034364 k( 164) = ( 0.4626098 0.5373902 -0.4626098), wk = 0.0034364 k( 165) = ( 0.4532622 0.5467378 -0.4532622), wk = 0.0034364 k( 166) = ( 0.4439146 0.5560854 -0.4439146), wk = 0.0034364 k( 167) = ( 0.4345671 0.5654329 -0.4345671), wk = 0.0034364 k( 168) = ( 0.4252195 0.5747805 -0.4252195), wk = 0.0034364 k( 169) = ( 0.4252195 0.5747805 -0.4252195), wk = 0.0034364 k( 170) = ( 0.4100331 0.5721098 -0.4100331), wk = 0.0034364 k( 171) = ( 0.3948467 0.5694390 -0.3948467), wk = 0.0034364 k( 172) = ( 0.3796603 0.5667683 -0.3796603), wk = 0.0034364 k( 173) = ( 0.3644739 0.5640976 -0.3644739), wk = 0.0034364 k( 174) = ( 0.3492875 0.5614268 -0.3492875), wk = 0.0034364 k( 175) = ( 0.3341010 0.5587561 -0.3341010), wk = 0.0034364 k( 176) = ( 0.3189146 0.5560854 -0.3189146), wk = 0.0034364 k( 177) = ( 0.3037282 0.5534146 -0.3037282), wk = 0.0034364 k( 178) = ( 0.2885418 0.5507439 -0.2885418), wk = 0.0034364 k( 179) = ( 0.2733554 0.5480732 -0.2733554), wk = 0.0034364 k( 180) = ( 0.2581690 0.5454024 -0.2581690), wk = 0.0034364 k( 181) = ( 0.2429826 0.5427317 -0.2429826), wk = 0.0034364 k( 182) = ( 0.2277962 0.5400610 -0.2277962), wk = 0.0034364 k( 183) = ( 0.2126098 0.5373902 -0.2126098), wk = 0.0034364 k( 184) = ( 0.1974233 0.5347195 -0.1974233), wk = 0.0034364 k( 185) = ( 0.1822369 0.5320488 -0.1822369), wk = 0.0034364 k( 186) = ( 0.1670505 0.5293781 -0.1670505), wk = 0.0034364 k( 187) = ( 0.1518641 0.5267073 -0.1518641), wk = 0.0034364 k( 188) = ( 0.1366777 0.5240366 -0.1366777), wk = 0.0034364 k( 189) = ( 0.1214913 0.5213659 -0.1214913), wk = 0.0034364 k( 190) = ( 0.1063049 0.5186951 -0.1063049), wk = 0.0034364 k( 191) = ( 0.0911185 0.5160244 -0.0911185), wk = 0.0034364 k( 192) = ( 0.0759321 0.5133537 -0.0759321), wk = 0.0034364 k( 193) = ( 0.0607456 0.5106829 -0.0607456), wk = 0.0034364 k( 194) = ( 0.0455592 0.5080122 -0.0455592), wk = 0.0034364 k( 195) = ( 0.0303728 0.5053415 -0.0303728), wk = 0.0034364 k( 196) = ( 0.0151864 0.5026707 -0.0151864), wk = 0.0034364 k( 197) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034364 k( 198) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034364 k( 199) = ( 0.0100000 0.4900000 0.0100000), wk = 0.0034364 k( 200) = ( 0.0200000 0.4800000 0.0200000), wk = 0.0034364 k( 201) = ( 0.0300000 0.4700000 0.0300000), wk = 0.0034364 k( 202) = ( 0.0400000 0.4600000 0.0400000), wk = 0.0034364 k( 203) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0034364 k( 204) = ( 0.0600000 0.4400000 0.0600000), wk = 0.0034364 k( 205) = ( 0.0700000 0.4300000 0.0700000), wk = 0.0034364 k( 206) = ( 0.0800000 0.4200000 0.0800000), wk = 0.0034364 k( 207) = ( 0.0900000 0.4100000 0.0900000), wk = 0.0034364 k( 208) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0034364 k( 209) = ( 0.1100000 0.3900000 0.1100000), wk = 0.0034364 k( 210) = ( 0.1200000 0.3800000 0.1200000), wk = 0.0034364 k( 211) = ( 0.1300000 0.3700000 0.1300000), wk = 0.0034364 k( 212) = ( 0.1400000 0.3600000 0.1400000), wk = 0.0034364 k( 213) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0034364 k( 214) = ( 0.1600000 0.3400000 0.1600000), wk = 0.0034364 k( 215) = ( 0.1700000 0.3300000 0.1700000), wk = 0.0034364 k( 216) = ( 0.1800000 0.3200000 0.1800000), wk = 0.0034364 k( 217) = ( 0.1900000 0.3100000 0.1900000), wk = 0.0034364 k( 218) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0034364 k( 219) = ( 0.2100000 0.2900000 0.2100000), wk = 0.0034364 k( 220) = ( 0.2200000 0.2800000 0.2200000), wk = 0.0034364 k( 221) = ( 0.2300000 0.2700000 0.2300000), wk = 0.0034364 k( 222) = ( 0.2400000 0.2600000 0.2400000), wk = 0.0034364 k( 223) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034364 k( 224) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034364 k( 225) = ( 0.2575758 0.2575758 0.2318049), wk = 0.0034364 k( 226) = ( 0.2651515 0.2651515 0.2136098), wk = 0.0034364 k( 227) = ( 0.2727273 0.2727273 0.1954146), wk = 0.0034364 k( 228) = ( 0.2803030 0.2803030 0.1772195), wk = 0.0034364 k( 229) = ( 0.2878788 0.2878788 0.1590244), wk = 0.0034364 k( 230) = ( 0.2954545 0.2954545 0.1408293), wk = 0.0034364 k( 231) = ( 0.3030303 0.3030303 0.1226341), wk = 0.0034364 k( 232) = ( 0.3106061 0.3106061 0.1044390), wk = 0.0034364 k( 233) = ( 0.3181818 0.3181818 0.0862439), wk = 0.0034364 k( 234) = ( 0.3257576 0.3257576 0.0680488), wk = 0.0034364 k( 235) = ( 0.3333333 0.3333333 0.0498537), wk = 0.0034364 k( 236) = ( 0.3409091 0.3409091 0.0316585), wk = 0.0034364 k( 237) = ( 0.3484849 0.3484849 0.0134634), wk = 0.0034364 k( 238) = ( 0.3560606 0.3560606 -0.0047317), wk = 0.0034364 k( 239) = ( 0.3636364 0.3636364 -0.0229268), wk = 0.0034364 k( 240) = ( 0.3712121 0.3712121 -0.0411219), wk = 0.0034364 k( 241) = ( 0.3787879 0.3787879 -0.0593171), wk = 0.0034364 k( 242) = ( 0.3863636 0.3863636 -0.0775122), wk = 0.0034364 k( 243) = ( 0.3939394 0.3939394 -0.0957073), wk = 0.0034364 k( 244) = ( 0.4015151 0.4015151 -0.1139024), wk = 0.0034364 k( 245) = ( 0.4090909 0.4090909 -0.1320976), wk = 0.0034364 k( 246) = ( 0.4166667 0.4166667 -0.1502927), wk = 0.0034364 k( 247) = ( 0.4242424 0.4242424 -0.1684878), wk = 0.0034364 k( 248) = ( 0.4318182 0.4318182 -0.1866829), wk = 0.0034364 k( 249) = ( 0.4393939 0.4393939 -0.2048780), wk = 0.0034364 k( 250) = ( 0.4469697 0.4469697 -0.2230732), wk = 0.0034364 k( 251) = ( 0.4545455 0.4545455 -0.2412683), wk = 0.0034364 k( 252) = ( 0.4621212 0.4621212 -0.2594634), wk = 0.0034364 k( 253) = ( 0.4696970 0.4696970 -0.2776585), wk = 0.0034364 k( 254) = ( 0.4772727 0.4772727 -0.2958537), wk = 0.0034364 k( 255) = ( 0.4848485 0.4848485 -0.3140488), wk = 0.0034364 k( 256) = ( 0.4924242 0.4924242 -0.3322439), wk = 0.0034364 k( 257) = ( 0.5000000 0.5000000 -0.3504390), wk = 0.0034364 k( 258) = ( 0.5000000 0.5000000 -0.3504390), wk = 0.0034364 k( 259) = ( 0.5000000 0.5000000 -0.3640355), wk = 0.0034364 k( 260) = ( 0.5000000 0.5000000 -0.3776319), wk = 0.0034364 k( 261) = ( 0.5000000 0.5000000 -0.3912284), wk = 0.0034364 k( 262) = ( 0.5000000 0.5000000 -0.4048248), wk = 0.0034364 k( 263) = ( 0.5000000 0.5000000 -0.4184213), wk = 0.0034364 k( 264) = ( 0.5000000 0.5000000 -0.4320177), wk = 0.0034364 k( 265) = ( 0.5000000 0.5000000 -0.4456142), wk = 0.0034364 k( 266) = ( 0.5000000 0.5000000 -0.4592106), wk = 0.0034364 k( 267) = ( 0.5000000 0.5000000 -0.4728071), wk = 0.0034364 k( 268) = ( 0.5000000 0.5000000 -0.4864036), wk = 0.0034364 k( 269) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034364 k( 270) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034364 k( 271) = ( 0.0119048 0.0119048 0.4880952), wk = 0.0034364 k( 272) = ( 0.0238095 0.0238095 0.4761905), wk = 0.0034364 k( 273) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0034364 k( 274) = ( 0.0476191 0.0476191 0.4523810), wk = 0.0034364 k( 275) = ( 0.0595238 0.0595238 0.4404762), wk = 0.0034364 k( 276) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0034364 k( 277) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0034364 k( 278) = ( 0.0952381 0.0952381 0.4047619), wk = 0.0034364 k( 279) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0034364 k( 280) = ( 0.1190476 0.1190476 0.3809524), wk = 0.0034364 k( 281) = ( 0.1309524 0.1309524 0.3690476), wk = 0.0034364 k( 282) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0034364 k( 283) = ( 0.1547619 0.1547619 0.3452381), wk = 0.0034364 k( 284) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0034364 k( 285) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0034364 k( 286) = ( 0.1904762 0.1904762 0.3095238), wk = 0.0034364 k( 287) = ( 0.2023810 0.2023810 0.2976190), wk = 0.0034364 k( 288) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0034364 k( 289) = ( 0.2261905 0.2261905 0.2738095), wk = 0.0034364 k( 290) = ( 0.2380952 0.2380952 0.2619048), wk = 0.0034364 k( 291) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034364 Dense grid: 97985 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 39843 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 284, 58) NL pseudopotentials 0.33 Mb ( 142, 152) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2722) G-vector shells 0.01 Mb ( 1234) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.01 Mb ( 284, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.27 Mb ( 152, 2, 58) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./RbN3.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 4.2 secs Computing kpt #: 6 total cpu time spent up to now is 4.7 secs Computing kpt #: 7 total cpu time spent up to now is 5.2 secs Computing kpt #: 8 total cpu time spent up to now is 5.7 secs Computing kpt #: 9 total cpu time spent up to now is 6.3 secs Computing kpt #: 10 total cpu time spent up to now is 6.8 secs Computing kpt #: 11 total cpu time spent up to now is 7.3 secs Computing kpt #: 12 total cpu time spent up to now is 7.8 secs Computing kpt #: 13 total cpu time spent up to now is 8.3 secs Computing kpt #: 14 total cpu time spent up to now is 8.8 secs Computing kpt #: 15 total cpu time spent up to now is 9.3 secs Computing kpt #: 16 total cpu time spent up to now is 9.8 secs Computing kpt #: 17 total cpu time spent up to now is 10.4 secs Computing kpt #: 18 total cpu time spent up to now is 10.9 secs Computing kpt #: 19 total cpu time spent up to now is 11.4 secs Computing kpt #: 20 total cpu time spent up to now is 11.9 secs Computing kpt #: 21 total cpu time spent up to now is 12.4 secs Computing kpt #: 22 total cpu time spent up to now is 12.9 secs Computing kpt #: 23 total cpu time spent up to now is 13.4 secs Computing kpt #: 24 total cpu time spent up to now is 13.9 secs Computing kpt #: 25 total cpu time spent up to now is 14.4 secs Computing kpt #: 26 total cpu time spent up to now is 14.9 secs Computing kpt #: 27 total cpu time spent up to now is 15.4 secs Computing kpt #: 28 total cpu time spent up to now is 15.9 secs Computing kpt #: 29 total cpu time spent up to now is 16.4 secs Computing kpt #: 30 total cpu time spent up to now is 17.0 secs Computing kpt #: 31 total cpu time spent up to now is 17.5 secs Computing kpt #: 32 total cpu time spent up to now is 18.0 secs Computing kpt #: 33 total cpu time spent up to now is 18.5 secs Computing kpt #: 34 total cpu time spent up to now is 19.0 secs Computing kpt #: 35 total cpu time spent up to now is 19.5 secs Computing kpt #: 36 total cpu time spent up to now is 20.0 secs Computing kpt #: 37 total cpu time spent up to now is 20.5 secs Computing kpt #: 38 total cpu time spent up to now is 21.0 secs Computing kpt #: 39 total cpu time spent up to now is 21.5 secs Computing kpt #: 40 total cpu time spent up to now is 22.0 secs Computing kpt #: 41 total cpu time spent up to now is 22.5 secs Computing kpt #: 42 total cpu time spent up to now is 23.0 secs Computing kpt #: 43 total cpu time spent up to now is 23.5 secs Computing kpt #: 44 total cpu time spent up to now is 24.0 secs Computing kpt #: 45 total cpu time spent up to now is 24.5 secs Computing kpt #: 46 total cpu time spent up to now is 25.0 secs Computing kpt #: 47 total cpu time spent up to now is 25.5 secs Computing kpt #: 48 total cpu time spent up to now is 26.0 secs Computing kpt #: 49 total cpu time spent up to now is 26.5 secs Computing kpt #: 50 total cpu time spent up to now is 27.1 secs Computing kpt #: 51 total cpu time spent up to now is 27.6 secs Computing kpt #: 52 total cpu time spent up to now is 28.1 secs Computing kpt #: 53 total cpu time spent up to now is 28.6 secs Computing kpt #: 54 total cpu time spent up to now is 29.1 secs Computing kpt #: 55 total cpu time spent up to now is 29.6 secs Computing kpt #: 56 total cpu time spent up to now is 30.2 secs Computing kpt #: 57 total cpu time spent up to now is 30.7 secs Computing kpt #: 58 total cpu time spent up to now is 31.2 secs Computing kpt #: 59 total cpu time spent up to now is 31.7 secs Computing kpt #: 60 total cpu time spent up to now is 32.2 secs Computing kpt #: 61 total cpu time spent up to now is 32.7 secs Computing kpt #: 62 total cpu time spent up to now is 33.2 secs Computing kpt #: 63 total cpu time spent up to now is 33.8 secs Computing kpt #: 64 total cpu time spent up to now is 34.3 secs Computing kpt #: 65 total cpu time spent up to now is 34.8 secs Computing kpt #: 66 total cpu time spent up to now is 35.3 secs Computing kpt #: 67 total cpu time spent up to now is 35.8 secs Computing kpt #: 68 total cpu time spent up to now is 36.3 secs Computing kpt #: 69 total cpu time spent up to now is 36.8 secs Computing kpt #: 70 total cpu time spent up to now is 37.3 secs Computing kpt #: 71 total cpu time spent up to now is 37.8 secs Computing kpt #: 72 total cpu time spent up to now is 38.3 secs Computing kpt #: 73 total cpu time spent up to now is 38.8 secs Computing kpt #: 74 total cpu time spent up to now is 39.3 secs Computing kpt #: 75 total cpu time spent up to now is 39.8 secs Computing kpt #: 76 total cpu time spent up to now is 40.4 secs Computing kpt #: 77 total cpu time spent up to now is 40.9 secs Computing kpt #: 78 total cpu time spent up to now is 41.4 secs Computing kpt #: 79 total cpu time spent up to now is 41.9 secs Computing kpt #: 80 total cpu time spent up to now is 42.4 secs Computing kpt #: 81 total cpu time spent up to now is 42.9 secs Computing kpt #: 82 total cpu time spent up to now is 43.5 secs Computing kpt #: 83 total cpu time spent up to now is 44.0 secs Computing kpt #: 84 total cpu time spent up to now is 44.5 secs Computing kpt #: 85 total cpu time spent up to now is 45.0 secs Computing kpt #: 86 total cpu time spent up to now is 45.5 secs Computing kpt #: 87 total cpu time spent up to now is 46.0 secs Computing kpt #: 88 total cpu time spent up to now is 46.6 secs Computing kpt #: 89 total cpu time spent up to now is 47.1 secs Computing kpt #: 90 total cpu time spent up to now is 47.6 secs Computing kpt #: 91 total cpu time spent up to now is 48.1 secs Computing kpt #: 92 total cpu time spent up to now is 48.7 secs Computing kpt #: 93 total cpu time spent up to now is 49.2 secs Computing kpt #: 94 total cpu time spent up to now is 49.7 secs Computing kpt #: 95 total cpu time spent up to now is 50.3 secs Computing kpt #: 96 total cpu time spent up to now is 50.8 secs Computing kpt #: 97 total cpu time spent up to now is 51.3 secs Computing kpt #: 98 total cpu time spent up to now is 51.9 secs Computing kpt #: 99 total cpu time spent up to now is 52.4 secs Computing kpt #: 100 total cpu time spent up to now is 52.9 secs Computing kpt #: 101 total cpu time spent up to now is 53.4 secs Computing kpt #: 102 total cpu time spent up to now is 53.9 secs Computing kpt #: 103 total cpu time spent up to now is 54.4 secs Computing kpt #: 104 total cpu time spent up to now is 55.0 secs Computing kpt #: 105 total cpu time spent up to now is 55.5 secs Computing kpt #: 106 total cpu time spent up to now is 56.0 secs Computing kpt #: 107 total cpu time spent up to now is 56.5 secs Computing kpt #: 108 total cpu time spent up to now is 57.0 secs Computing kpt #: 109 total cpu time spent up to now is 57.5 secs Computing kpt #: 110 total cpu time spent up to now is 58.1 secs Computing kpt #: 111 total cpu time spent up to now is 58.6 secs Computing kpt #: 112 total cpu time spent up to now is 59.1 secs Computing kpt #: 113 total cpu time spent up to now is 59.6 secs Computing kpt #: 114 total cpu time spent up to now is 60.1 secs Computing kpt #: 115 total cpu time spent up to now is 60.6 secs Computing kpt #: 116 total cpu time spent up to now is 61.1 secs Computing kpt #: 117 total cpu time spent up to now is 61.5 secs Computing kpt #: 118 total cpu time spent up to now is 62.0 secs Computing kpt #: 119 total cpu time spent up to now is 62.5 secs Computing kpt #: 120 total cpu time spent up to now is 63.0 secs Computing kpt #: 121 total cpu time spent up to now is 63.5 secs Computing kpt #: 122 total cpu time spent up to now is 64.1 secs Computing kpt #: 123 total cpu time spent up to now is 64.5 secs Computing kpt #: 124 total cpu time spent up to now is 65.0 secs Computing kpt #: 125 total cpu time spent up to now is 65.5 secs Computing kpt #: 126 total cpu time spent up to now is 66.0 secs Computing kpt #: 127 total cpu time spent up to now is 66.5 secs Computing kpt #: 128 total cpu time spent up to now is 67.0 secs Computing kpt #: 129 total cpu time spent up to now is 67.5 secs Computing kpt #: 130 total cpu time spent up to now is 67.9 secs Computing kpt #: 131 total cpu time spent up to now is 68.4 secs Computing kpt #: 132 total cpu time spent up to now is 68.9 secs Computing kpt #: 133 total cpu time spent up to now is 69.4 secs Computing kpt #: 134 total cpu time spent up to now is 69.9 secs Computing kpt #: 135 total cpu time spent up to now is 70.4 secs Computing kpt #: 136 total cpu time spent up to now is 70.9 secs Computing kpt #: 137 total cpu time spent up to now is 71.4 secs Computing kpt #: 138 total cpu time spent up to now is 72.1 secs Computing kpt #: 139 total cpu time spent up to now is 72.7 secs Computing kpt #: 140 total cpu time spent up to now is 73.3 secs Computing kpt #: 141 total cpu time spent up to now is 74.0 secs Computing kpt #: 142 total cpu time spent up to now is 74.6 secs Computing kpt #: 143 total cpu time spent up to now is 75.2 secs Computing kpt #: 144 total cpu time spent up to now is 75.9 secs Computing kpt #: 145 total cpu time spent up to now is 76.4 secs Computing kpt #: 146 total cpu time spent up to now is 77.0 secs Computing kpt #: 147 total cpu time spent up to now is 77.5 secs Computing kpt #: 148 total cpu time spent up to now is 78.0 secs Computing kpt #: 149 total cpu time spent up to now is 78.5 secs Computing kpt #: 150 total cpu time spent up to now is 79.0 secs Computing kpt #: 151 total cpu time spent up to now is 79.5 secs Computing kpt #: 152 total cpu time spent up to now is 80.0 secs Computing kpt #: 153 total cpu time spent up to now is 80.5 secs Computing kpt #: 154 total cpu time spent up to now is 81.0 secs Computing kpt #: 155 total cpu time spent up to now is 81.5 secs Computing kpt #: 156 total cpu time spent up to now is 81.9 secs Computing kpt #: 157 total cpu time spent up to now is 82.4 secs Computing kpt #: 158 total cpu time spent up to now is 82.9 secs Computing kpt #: 159 total cpu time spent up to now is 83.4 secs Computing kpt #: 160 total cpu time spent up to now is 83.8 secs Computing kpt #: 161 total cpu time spent up to now is 84.3 secs Computing kpt #: 162 total cpu time spent up to now is 84.8 secs Computing kpt #: 163 total cpu time spent up to now is 85.3 secs Computing kpt #: 164 total cpu time spent up to now is 85.8 secs Computing kpt #: 165 total cpu time spent up to now is 86.2 secs Computing kpt #: 166 total cpu time spent up to now is 86.7 secs Computing kpt #: 167 total cpu time spent up to now is 87.2 secs Computing kpt #: 168 total cpu time spent up to now is 87.7 secs Computing kpt #: 169 total cpu time spent up to now is 88.2 secs Computing kpt #: 170 total cpu time spent up to now is 88.7 secs Computing kpt #: 171 total cpu time spent up to now is 89.3 secs Computing kpt #: 172 total cpu time spent up to now is 89.8 secs Computing kpt #: 173 total cpu time spent up to now is 90.3 secs Computing kpt #: 174 total cpu time spent up to now is 90.8 secs Computing kpt #: 175 total cpu time spent up to now is 91.3 secs Computing kpt #: 176 total cpu time spent up to now is 91.9 secs Computing kpt #: 177 total cpu time spent up to now is 92.4 secs Computing kpt #: 178 total cpu time spent up to now is 92.9 secs Computing kpt #: 179 total cpu time spent up to now is 93.4 secs Computing kpt #: 180 total cpu time spent up to now is 94.0 secs Computing kpt #: 181 total cpu time spent up to now is 94.5 secs Computing kpt #: 182 total cpu time spent up to now is 95.0 secs Computing kpt #: 183 total cpu time spent up to now is 95.5 secs Computing kpt #: 184 total cpu time spent up to now is 96.0 secs Computing kpt #: 185 total cpu time spent up to now is 96.6 secs Computing kpt #: 186 total cpu time spent up to now is 97.1 secs Computing kpt #: 187 total cpu time spent up to now is 97.6 secs Computing kpt #: 188 total cpu time spent up to now is 98.2 secs Computing kpt #: 189 total cpu time spent up to now is 98.7 secs Computing kpt #: 190 total cpu time spent up to now is 99.2 secs Computing kpt #: 191 total cpu time spent up to now is 99.8 secs Computing kpt #: 192 total cpu time spent up to now is 100.3 secs Computing kpt #: 193 total cpu time spent up to now is 100.9 secs Computing kpt #: 194 total cpu time spent up to now is 101.5 secs Computing kpt #: 195 total cpu time spent up to now is 102.1 secs Computing kpt #: 196 total cpu time spent up to now is 102.7 secs Computing kpt #: 197 total cpu time spent up to now is 103.3 secs Computing kpt #: 198 total cpu time spent up to now is 103.8 secs Computing kpt #: 199 total cpu time spent up to now is 104.5 secs Computing kpt #: 200 total cpu time spent up to now is 105.2 secs Computing kpt #: 201 total cpu time spent up to now is 105.9 secs Computing kpt #: 202 total cpu time spent up to now is 106.6 secs Computing kpt #: 203 total cpu time spent up to now is 107.3 secs Computing kpt #: 204 total cpu time spent up to now is 108.0 secs Computing kpt #: 205 total cpu time spent up to now is 108.7 secs Computing kpt #: 206 total cpu time spent up to now is 109.4 secs Computing kpt #: 207 total cpu time spent up to now is 110.1 secs Computing kpt #: 208 total cpu time spent up to now is 110.8 secs Computing kpt #: 209 total cpu time spent up to now is 111.5 secs Computing kpt #: 210 total cpu time spent up to now is 112.2 secs Computing kpt #: 211 total cpu time spent up to now is 112.9 secs Computing kpt #: 212 total cpu time spent up to now is 113.6 secs Computing kpt #: 213 total cpu time spent up to now is 114.2 secs Computing kpt #: 214 total cpu time spent up to now is 114.7 secs Computing kpt #: 215 total cpu time spent up to now is 115.4 secs Computing kpt #: 216 total cpu time spent up to now is 116.1 secs Computing kpt #: 217 total cpu time spent up to now is 116.8 secs Computing kpt #: 218 total cpu time spent up to now is 117.5 secs Computing kpt #: 219 total cpu time spent up to now is 118.0 secs Computing kpt #: 220 total cpu time spent up to now is 118.7 secs Computing kpt #: 221 total cpu time spent up to now is 119.3 secs Computing kpt #: 222 total cpu time spent up to now is 120.0 secs Computing kpt #: 223 total cpu time spent up to now is 120.6 secs Computing kpt #: 224 total cpu time spent up to now is 121.1 secs Computing kpt #: 225 total cpu time spent up to now is 121.8 secs Computing kpt #: 226 total cpu time spent up to now is 122.5 secs Computing kpt #: 227 total cpu time spent up to now is 123.1 secs Computing kpt #: 228 total cpu time spent up to now is 123.8 secs Computing kpt #: 229 total cpu time spent up to now is 124.5 secs Computing kpt #: 230 total cpu time spent up to now is 125.1 secs Computing kpt #: 231 total cpu time spent up to now is 125.8 secs Computing kpt #: 232 total cpu time spent up to now is 126.4 secs Computing kpt #: 233 total cpu time spent up to now is 127.0 secs Computing kpt #: 234 total cpu time spent up to now is 127.6 secs Computing kpt #: 235 total cpu time spent up to now is 128.1 secs Computing kpt #: 236 total cpu time spent up to now is 128.7 secs Computing kpt #: 237 total cpu time spent up to now is 129.3 secs Computing kpt #: 238 total cpu time spent up to now is 129.8 secs Computing kpt #: 239 total cpu time spent up to now is 130.4 secs Computing kpt #: 240 total cpu time spent up to now is 130.9 secs Computing kpt #: 241 total cpu time spent up to now is 131.4 secs Computing kpt #: 242 total cpu time spent up to now is 131.9 secs Computing kpt #: 243 total cpu time spent up to now is 132.5 secs Computing kpt #: 244 total cpu time spent up to now is 133.0 secs Computing kpt #: 245 total cpu time spent up to now is 133.5 secs Computing kpt #: 246 total cpu time spent up to now is 134.1 secs Computing kpt #: 247 total cpu time spent up to now is 134.6 secs Computing kpt #: 248 total cpu time spent up to now is 135.2 secs Computing kpt #: 249 total cpu time spent up to now is 135.7 secs Computing kpt #: 250 total cpu time spent up to now is 136.2 secs Computing kpt #: 251 total cpu time spent up to now is 136.7 secs Computing kpt #: 252 total cpu time spent up to now is 137.2 secs Computing kpt #: 253 total cpu time spent up to now is 137.7 secs Computing kpt #: 254 total cpu time spent up to now is 138.3 secs Computing kpt #: 255 total cpu time spent up to now is 138.8 secs Computing kpt #: 256 total cpu time spent up to now is 139.3 secs Computing kpt #: 257 total cpu time spent up to now is 139.8 secs Computing kpt #: 258 total cpu time spent up to now is 140.3 secs Computing kpt #: 259 total cpu time spent up to now is 140.8 secs Computing kpt #: 260 total cpu time spent up to now is 141.3 secs Computing kpt #: 261 total cpu time spent up to now is 141.8 secs Computing kpt #: 262 total cpu time spent up to now is 142.3 secs Computing kpt #: 263 total cpu time spent up to now is 142.8 secs Computing kpt #: 264 total cpu time spent up to now is 143.3 secs Computing kpt #: 265 total cpu time spent up to now is 143.8 secs Computing kpt #: 266 total cpu time spent up to now is 144.3 secs Computing kpt #: 267 total cpu time spent up to now is 144.8 secs Computing kpt #: 268 total cpu time spent up to now is 145.2 secs Computing kpt #: 269 total cpu time spent up to now is 145.7 secs Computing kpt #: 270 total cpu time spent up to now is 146.2 secs Computing kpt #: 271 total cpu time spent up to now is 146.7 secs Computing kpt #: 272 total cpu time spent up to now is 147.2 secs Computing kpt #: 273 total cpu time spent up to now is 147.7 secs Computing kpt #: 274 total cpu time spent up to now is 148.2 secs Computing kpt #: 275 total cpu time spent up to now is 148.6 secs Computing kpt #: 276 total cpu time spent up to now is 149.1 secs Computing kpt #: 277 total cpu time spent up to now is 149.6 secs Computing kpt #: 278 total cpu time spent up to now is 150.1 secs Computing kpt #: 279 total cpu time spent up to now is 150.6 secs Computing kpt #: 280 total cpu time spent up to now is 151.1 secs Computing kpt #: 281 total cpu time spent up to now is 151.7 secs Computing kpt #: 282 total cpu time spent up to now is 152.2 secs Computing kpt #: 283 total cpu time spent up to now is 152.7 secs Computing kpt #: 284 total cpu time spent up to now is 153.2 secs Computing kpt #: 285 total cpu time spent up to now is 153.8 secs Computing kpt #: 286 total cpu time spent up to now is 154.3 secs Computing kpt #: 287 total cpu time spent up to now is 154.9 secs Computing kpt #: 288 total cpu time spent up to now is 155.4 secs Computing kpt #: 289 total cpu time spent up to now is 156.0 secs Computing kpt #: 290 total cpu time spent up to now is 156.6 secs Computing kpt #: 291 total cpu time spent up to now is 157.1 secs ethr = 2.08E-08, avg # of iterations = 16.7 total cpu time spent up to now is 157.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4991 PWs) bands (ev): -22.1769 -22.1769 -22.1000 -22.1000 -19.3203 -19.3203 -19.2712 -19.2712 -15.0136 -15.0136 -15.0135 -15.0135 -7.0354 -7.0354 -6.8033 -6.8033 -6.2486 -6.2486 -6.0515 -6.0515 -6.0205 -6.0205 -5.8168 -5.8168 -3.6604 -3.6604 -3.4524 -3.4524 -3.4338 -3.4338 -3.2240 -3.2240 -2.9384 -2.9384 -2.6525 -2.6525 -1.2837 -1.2837 -1.2777 -1.2777 2.5984 2.5984 2.6890 2.6890 2.7112 2.7112 2.8984 2.8984 7.6482 7.6482 8.5500 8.5500 8.5841 8.5841 8.6047 8.6047 8.8611 8.8611 k = 0.0000 0.0000 0.0182 ( 4987 PWs) bands (ev): -22.1769 -22.1769 -22.1000 -22.1000 -19.3203 -19.3203 -19.2713 -19.2713 -15.0136 -15.0136 -15.0135 -15.0135 -7.0354 -7.0354 -6.8034 -6.8034 -6.2487 -6.2487 -6.0514 -6.0514 -6.0207 -6.0207 -5.8168 -5.8168 -3.6601 -3.6601 -3.4531 -3.4531 -3.4345 -3.4345 -3.2241 -3.2241 -2.9361 -2.9361 -2.6519 -2.6519 -1.2840 -1.2840 -1.2780 -1.2780 2.5982 2.5982 2.6887 2.6887 2.7109 2.7109 2.8981 2.8981 7.6499 7.6499 8.5500 8.5500 8.5822 8.5822 8.6030 8.6030 8.8601 8.8601 k = 0.0000 0.0000 0.0364 ( 4975 PWs) bands (ev): -22.1768 -22.1768 -22.1000 -22.1000 -19.3203 -19.3203 -19.2714 -19.2714 -15.0136 -15.0136 -15.0134 -15.0134 -7.0355 -7.0355 -6.8038 -6.8038 -6.2489 -6.2489 -6.0513 -6.0513 -6.0213 -6.0213 -5.8167 -5.8167 -3.6591 -3.6591 -3.4557 -3.4557 -3.4362 -3.4362 -3.2244 -3.2244 -2.9292 -2.9292 -2.6503 -2.6503 -1.2856 -1.2856 -1.2782 -1.2782 2.5977 2.5977 2.6878 2.6878 2.7100 2.7100 2.8974 2.8974 7.6549 7.6549 8.5501 8.5501 8.5749 8.5749 8.5999 8.5999 8.8571 8.8571 k = 0.0000 0.0000 0.0545 ( 4983 PWs) bands (ev): -22.1767 -22.1767 -22.1001 -22.1001 -19.3202 -19.3202 -19.2715 -19.2715 -15.0136 -15.0136 -15.0134 -15.0134 -7.0356 -7.0356 -6.8044 -6.8044 -6.2492 -6.2492 -6.0510 -6.0510 -6.0224 -6.0224 -5.8165 -5.8165 -3.6576 -3.6576 -3.4609 -3.4609 -3.4376 -3.4376 -3.2249 -3.2249 -2.9183 -2.9183 -2.6476 -2.6476 -1.2890 -1.2890 -1.2777 -1.2777 2.5968 2.5968 2.6861 2.6861 2.7087 2.7087 2.8962 2.8962 7.6631 7.6631 8.5498 8.5498 8.5609 8.5609 8.5977 8.5977 8.8520 8.8520 k = 0.0000 0.0000 0.0727 ( 4987 PWs) bands (ev): -22.1765 -22.1765 -22.1002 -22.1002 -19.3202 -19.3202 -19.2717 -19.2717 -15.0137 -15.0137 -15.0133 -15.0133 -7.0358 -7.0358 -6.8052 -6.8052 -6.2497 -6.2497 -6.0506 -6.0506 -6.0238 -6.0238 -5.8163 -5.8163 -3.6554 -3.6554 -3.4691 -3.4691 -3.4380 -3.4380 -3.2256 -3.2256 -2.9037 -2.9037 -2.6439 -2.6439 -1.2944 -1.2944 -1.2764 -1.2764 2.5955 2.5955 2.6834 2.6834 2.7072 2.7072 2.8946 2.8946 7.6745 7.6745 8.5386 8.5386 8.5516 8.5516 8.5967 8.5967 8.8451 8.8451 k = 0.0000 0.0000 0.0909 ( 4993 PWs) bands (ev): -22.1763 -22.1763 -22.1003 -22.1003 -19.3202 -19.3202 -19.2720 -19.2720 -15.0137 -15.0137 -15.0132 -15.0132 -7.0360 -7.0360 -6.8063 -6.8063 -6.2503 -6.2503 -6.0500 -6.0500 -6.0256 -6.0256 -5.8159 -5.8159 -3.6527 -3.6527 -3.4796 -3.4796 -3.4375 -3.4375 -3.2264 -3.2264 -2.8862 -2.8862 -2.6392 -2.6392 -1.3014 -1.3014 -1.2745 -1.2745 2.5939 2.5939 2.6796 2.6796 2.7058 2.7058 2.8924 2.8924 7.6889 7.6889 8.5142 8.5142 8.5513 8.5513 8.5964 8.5964 8.8364 8.8364 k = 0.0000 0.0000 0.1091 ( 4997 PWs) bands (ev): -22.1760 -22.1760 -22.1005 -22.1005 -19.3202 -19.3202 -19.2723 -19.2723 -15.0138 -15.0138 -15.0132 -15.0132 -7.0363 -7.0363 -6.8077 -6.8077 -6.2511 -6.2511 -6.0492 -6.0492 -6.0278 -6.0278 -5.8155 -5.8155 -3.6494 -3.6494 -3.4916 -3.4916 -3.4364 -3.4364 -3.2274 -3.2274 -2.8663 -2.8663 -2.6336 -2.6336 -1.3098 -1.3098 -1.2721 -1.2721 2.5919 2.5919 2.6743 2.6743 2.7045 2.7045 2.8899 2.8899 7.7060 7.7060 8.4868 8.4868 8.5513 8.5513 8.5963 8.5963 8.8260 8.8260 k = 0.0000 0.0000 0.1273 ( 5001 PWs) bands (ev): -22.1757 -22.1757 -22.1006 -22.1006 -19.3201 -19.3201 -19.2727 -19.2727 -15.0138 -15.0138 -15.0130 -15.0130 -7.0367 -7.0367 -6.8093 -6.8093 -6.2520 -6.2520 -6.0482 -6.0482 -6.0304 -6.0304 -5.8149 -5.8149 -3.6456 -3.6456 -3.5046 -3.5046 -3.4348 -3.4348 -3.2286 -3.2286 -2.8448 -2.8448 -2.6272 -2.6272 -1.3193 -1.3193 -1.2691 -1.2691 2.5896 2.5896 2.6677 2.6677 2.7036 2.7036 2.8871 2.8871 7.7255 7.7255 8.4580 8.4580 8.5514 8.5514 8.5963 8.5963 8.8139 8.8139 k = 0.0000 0.0000 0.1454 ( 4998 PWs) bands (ev): -22.1753 -22.1753 -22.1008 -22.1008 -19.3201 -19.3201 -19.2731 -19.2731 -15.0139 -15.0139 -15.0129 -15.0129 -7.0371 -7.0371 -6.8111 -6.8111 -6.2532 -6.2532 -6.0471 -6.0471 -6.0333 -6.0333 -5.8143 -5.8143 -3.6413 -3.6413 -3.5179 -3.5179 -3.4328 -3.4328 -3.2298 -3.2298 -2.8220 -2.8220 -2.6201 -2.6201 -1.3298 -1.3298 -1.2658 -1.2658 2.5869 2.5869 2.6599 2.6599 2.7030 2.7030 2.8838 2.8838 7.7470 7.7470 8.4291 8.4291 8.5513 8.5513 8.5964 8.5964 8.8005 8.8005 k = 0.0000 0.0000 0.1636 ( 4996 PWs) bands (ev): -22.1749 -22.1749 -22.1011 -22.1011 -19.3200 -19.3200 -19.2736 -19.2736 -15.0140 -15.0140 -15.0128 -15.0128 -7.0375 -7.0375 -6.8131 -6.8131 -6.2545 -6.2545 -6.0456 -6.0456 -6.0365 -6.0365 -5.8135 -5.8135 -3.6365 -3.6365 -3.5311 -3.5311 -3.4305 -3.4305 -3.2312 -3.2312 -2.7986 -2.7986 -2.6123 -2.6123 -1.3409 -1.3409 -1.2619 -1.2619 2.5838 2.5838 2.6508 2.6508 2.7026 2.7026 2.8803 2.8803 7.7699 7.7699 8.4014 8.4014 8.5511 8.5511 8.5966 8.5966 8.7858 8.7858 k = 0.0000 0.0000 0.1818 ( 4996 PWs) bands (ev): -22.1744 -22.1744 -22.1013 -22.1013 -19.3199 -19.3199 -19.2741 -19.2741 -15.0140 -15.0140 -15.0126 -15.0126 -7.0380 -7.0380 -6.8154 -6.8154 -6.2561 -6.2561 -6.0441 -6.0441 -6.0399 -6.0399 -5.8126 -5.8126 -3.6313 -3.6313 -3.5440 -3.5440 -3.4280 -3.4280 -3.2328 -3.2328 -2.7750 -2.7750 -2.6041 -2.6041 -1.3525 -1.3525 -1.2577 -1.2577 2.5803 2.5803 2.6408 2.6408 2.7024 2.7024 2.8765 2.8765 7.7934 7.7934 8.3760 8.3760 8.5507 8.5507 8.5968 8.5968 8.7701 8.7701 k = 0.0000 0.0000 0.2000 ( 5000 PWs) bands (ev): -22.1739 -22.1739 -22.1015 -22.1015 -19.3198 -19.3198 -19.2747 -19.2747 -15.0141 -15.0141 -15.0124 -15.0124 -7.0386 -7.0386 -6.8179 -6.8179 -6.2579 -6.2579 -6.0445 -6.0445 -6.0412 -6.0412 -5.8115 -5.8115 -3.6258 -3.6258 -3.5562 -3.5562 -3.4252 -3.4252 -3.2344 -3.2344 -2.7517 -2.7517 -2.5956 -2.5956 -1.3642 -1.3642 -1.2532 -1.2532 2.5765 2.5765 2.6298 2.6298 2.7023 2.7023 2.8725 2.8725 7.8163 7.8163 8.3544 8.3544 8.5498 8.5498 8.5969 8.5969 8.7535 8.7535 k = 0.0000 0.0000 0.2182 ( 5004 PWs) bands (ev): -22.1734 -22.1734 -22.1018 -22.1018 -19.3198 -19.3198 -19.2753 -19.2753 -15.0142 -15.0142 -15.0123 -15.0123 -7.0392 -7.0392 -6.8206 -6.8206 -6.2599 -6.2599 -6.0482 -6.0482 -6.0392 -6.0392 -5.8104 -5.8104 -3.6199 -3.6199 -3.5675 -3.5675 -3.4223 -3.4223 -3.2361 -3.2361 -2.7288 -2.7288 -2.5870 -2.5870 -1.3758 -1.3758 -1.2482 -1.2482 2.5723 2.5723 2.6180 2.6180 2.7023 2.7023 2.8683 2.8683 7.8373 7.8373 8.3384 8.3384 8.5485 8.5485 8.5969 8.5969 8.7363 8.7363 k = 0.0000 0.0000 0.2363 ( 5000 PWs) bands (ev): -22.1729 -22.1729 -22.1021 -22.1021 -19.3197 -19.3197 -19.2759 -19.2759 -15.0143 -15.0143 -15.0121 -15.0121 -7.0399 -7.0399 -6.8235 -6.8235 -6.2621 -6.2621 -6.0523 -6.0523 -6.0366 -6.0366 -5.8091 -5.8091 -3.6139 -3.6139 -3.5778 -3.5778 -3.4192 -3.4192 -3.2379 -3.2379 -2.7069 -2.7069 -2.5784 -2.5784 -1.3870 -1.3870 -1.2430 -1.2430 2.5677 2.5677 2.6056 2.6056 2.7025 2.7025 2.8640 2.8640 7.8546 7.8546 8.3296 8.3296 8.5466 8.5466 8.5969 8.5969 8.7189 8.7189 k = 0.0000 0.0000 0.2545 ( 4994 PWs) bands (ev): -22.1723 -22.1723 -22.1024 -22.1024 -19.3196 -19.3196 -19.2765 -19.2765 -15.0144 -15.0144 -15.0119 -15.0119 -7.0406 -7.0406 -6.8265 -6.8265 -6.2645 -6.2645 -6.0566 -6.0566 -6.0337 -6.0337 -5.8078 -5.8078 -3.6078 -3.6078 -3.5868 -3.5868 -3.4161 -3.4161 -3.2397 -3.2397 -2.6861 -2.6861 -2.5701 -2.5701 -1.3975 -1.3975 -1.2374 -1.2374 2.5627 2.5627 2.5926 2.5926 2.7028 2.7028 2.8595 2.8595 7.8666 7.8666 8.3300 8.3300 8.5439 8.5439 8.5968 8.5968 8.7016 8.7016 k = 0.0000 0.0000 0.2727 ( 4994 PWs) bands (ev): -22.1717 -22.1717 -22.1027 -22.1027 -19.3195 -19.3195 -19.2772 -19.2772 -15.0145 -15.0145 -15.0117 -15.0117 -7.0413 -7.0413 -6.8298 -6.8298 -6.2671 -6.2671 -6.0611 -6.0611 -6.0304 -6.0304 -5.8063 -5.8063 -3.6025 -3.6025 -3.5934 -3.5934 -3.4129 -3.4129 -3.2416 -3.2416 -2.6668 -2.6668 -2.5622 -2.5622 -1.4069 -1.4069 -1.2316 -1.2316 2.5572 2.5572 2.5793 2.5793 2.7031 2.7031 2.8551 2.8551 7.8720 7.8720 8.3407 8.3407 8.5401 8.5401 8.5965 8.5965 8.6847 8.6847 k = 0.0000 0.0000 0.2909 ( 4994 PWs) bands (ev): -22.1711 -22.1711 -22.1030 -22.1030 -19.3194 -19.3194 -19.2779 -19.2779 -15.0147 -15.0147 -15.0115 -15.0115 -7.0421 -7.0421 -6.8332 -6.8332 -6.2699 -6.2699 -6.0656 -6.0656 -6.0269 -6.0269 -5.8047 -5.8047 -3.6036 -3.6036 -3.5923 -3.5923 -3.4096 -3.4096 -3.2436 -3.2436 -2.6493 -2.6493 -2.5547 -2.5547 -1.4151 -1.4151 -1.2255 -1.2255 2.5509 2.5509 2.5661 2.5661 2.7034 2.7034 2.8506 2.8506 7.8707 7.8707 8.3621 8.3621 8.5349 8.5349 8.5962 8.5962 8.6687 8.6687 k = 0.0000 0.0000 0.3091 ( 4992 PWs) bands (ev): -22.1705 -22.1705 -22.1033 -22.1033 -19.3193 -19.3193 -19.2786 -19.2786 -15.0148 -15.0148 -15.0113 -15.0113 -7.0430 -7.0430 -6.8367 -6.8367 -6.2728 -6.2728 -6.0701 -6.0701 -6.0231 -6.0231 -5.8031 -5.8031 -3.6081 -3.6081 -3.5863 -3.5863 -3.4063 -3.4063 -3.2455 -3.2455 -2.6340 -2.6340 -2.5476 -2.5476 -1.4217 -1.4217 -1.2193 -1.2193 2.5428 2.5428 2.5543 2.5543 2.7039 2.7039 2.8462 2.8462 7.8634 7.8634 8.3935 8.3935 8.5280 8.5280 8.5958 8.5958 8.6542 8.6542 k = 0.0000 0.0000 0.3272 ( 4992 PWs) bands (ev): -22.1699 -22.1699 -22.1036 -22.1036 -19.3193 -19.3193 -19.2793 -19.2793 -15.0149 -15.0149 -15.0111 -15.0111 -7.0438 -7.0438 -6.8403 -6.8403 -6.2758 -6.2758 -6.0746 -6.0746 -6.0191 -6.0191 -5.8014 -5.8014 -3.6119 -3.6119 -3.5797 -3.5797 -3.4031 -3.4031 -3.2475 -3.2475 -2.6214 -2.6214 -2.5406 -2.5406 -1.4267 -1.4267 -1.2129 -1.2129 2.5314 2.5314 2.5453 2.5453 2.7043 2.7043 2.8418 2.8418 7.8512 7.8512 8.4334 8.4334 8.5193 8.5193 8.5953 8.5953 8.6415 8.6415 k = 0.0000 0.0000 0.3454 ( 4968 PWs) bands (ev): -22.1693 -22.1693 -22.1040 -22.1040 -19.3192 -19.3192 -19.2799 -19.2799 -15.0149 -15.0149 -15.0109 -15.0109 -7.0447 -7.0447 -6.8439 -6.8439 -6.2789 -6.2789 -6.0791 -6.0791 -6.0149 -6.0149 -5.7996 -5.7996 -3.6145 -3.6145 -3.5731 -3.5731 -3.3998 -3.3998 -3.2495 -3.2495 -2.6121 -2.6121 -2.5333 -2.5333 -1.4299 -1.4299 -1.2063 -1.2063 2.5179 2.5179 2.5383 2.5383 2.7049 2.7049 2.8376 2.8376 7.8356 7.8356 8.4801 8.4801 8.5089 8.5089 8.5948 8.5948 8.6310 8.6310 k = 0.0000 0.0000 0.3636 ( 4968 PWs) bands (ev): -22.1686 -22.1686 -22.1043 -22.1043 -19.3191 -19.3191 -19.2806 -19.2806 -15.0151 -15.0151 -15.0107 -15.0107 -7.0456 -7.0456 -6.8476 -6.8476 -6.2820 -6.2820 -6.0835 -6.0835 -6.0105 -6.0105 -5.7978 -5.7978 -3.6158 -3.6158 -3.5665 -3.5665 -3.3966 -3.3966 -3.2515 -3.2515 -2.6067 -2.6067 -2.5252 -2.5252 -1.4312 -1.4312 -1.1998 -1.1998 2.5037 2.5037 2.5318 2.5318 2.7054 2.7054 2.8334 2.8334 7.8178 7.8178 8.4954 8.4954 8.5336 8.5336 8.5944 8.5944 8.6225 8.6225 k = 0.0000 0.0000 0.3818 ( 4964 PWs) bands (ev): -22.1680 -22.1680 -22.1046 -22.1046 -19.3190 -19.3190 -19.2813 -19.2813 -15.0152 -15.0152 -15.0105 -15.0105 -7.0464 -7.0464 -6.8514 -6.8514 -6.2851 -6.2851 -6.0877 -6.0877 -6.0061 -6.0061 -5.7960 -5.7960 -3.6158 -3.6158 -3.5600 -3.5600 -3.3936 -3.3936 -3.2534 -3.2534 -2.6052 -2.6052 -2.5162 -2.5162 -1.4309 -1.4309 -1.1932 -1.1932 2.4895 2.4895 2.5256 2.5256 2.7059 2.7059 2.8295 2.8295 7.7989 7.7989 8.4816 8.4816 8.5839 8.5839 8.6004 8.6004 8.6161 8.6161 k = 0.0000 0.0000 0.4000 ( 4968 PWs) bands (ev): -22.1674 -22.1674 -22.1049 -22.1049 -19.3189 -19.3189 -19.2820 -19.2820 -15.0153 -15.0153 -15.0103 -15.0103 -7.0473 -7.0473 -6.8551 -6.8551 -6.2883 -6.2883 -6.0918 -6.0918 -6.0016 -6.0016 -5.7943 -5.7943 -3.6147 -3.6147 -3.5538 -3.5538 -3.3906 -3.3906 -3.2553 -3.2553 -2.6075 -2.6075 -2.5065 -2.5065 -1.4288 -1.4288 -1.1868 -1.1868 2.4753 2.4753 2.5194 2.5194 2.7065 2.7065 2.8257 2.8257 7.7794 7.7794 8.4666 8.4666 8.5899 8.5899 8.6106 8.6106 8.6553 8.6553 k = 0.0000 0.0000 0.4181 ( 4968 PWs) bands (ev): -22.1669 -22.1669 -22.1052 -22.1052 -19.3188 -19.3188 -19.2826 -19.2826 -15.0154 -15.0154 -15.0101 -15.0101 -7.0482 -7.0482 -6.8587 -6.8587 -6.2913 -6.2913 -6.0957 -6.0957 -5.9971 -5.9971 -5.7925 -5.7925 -3.6125 -3.6125 -3.5477 -3.5477 -3.3878 -3.3878 -3.2571 -3.2571 -2.6129 -2.6129 -2.4964 -2.4964 -1.4253 -1.4253 -1.1804 -1.1804 2.4615 2.4615 2.5134 2.5134 2.7071 2.7071 2.8221 2.8221 7.7601 7.7601 8.4511 8.4511 8.5891 8.5891 8.6069 8.6069 8.7196 8.7196 k = 0.0000 0.0000 0.4363 ( 4964 PWs) bands (ev): -22.1663 -22.1663 -22.1055 -22.1055 -19.3187 -19.3187 -19.2832 -19.2832 -15.0155 -15.0155 -15.0099 -15.0099 -7.0490 -7.0490 -6.8623 -6.8623 -6.2943 -6.2943 -6.0994 -6.0994 -5.9927 -5.9927 -5.7908 -5.7908 -3.6093 -3.6093 -3.5419 -3.5419 -3.3851 -3.3851 -3.2588 -3.2588 -2.6209 -2.6209 -2.4863 -2.4863 -1.4205 -1.4205 -1.1742 -1.1742 2.4482 2.4482 2.5076 2.5076 2.7076 2.7076 2.8187 2.8187 7.7412 7.7412 8.4356 8.4356 8.5878 8.5878 8.6041 8.6041 8.7869 8.7869 k = 0.0000 0.0000 0.4545 ( 4966 PWs) bands (ev): -22.1658 -22.1658 -22.1057 -22.1057 -19.3187 -19.3187 -19.2838 -19.2838 -15.0155 -15.0155 -15.0098 -15.0098 -7.0498 -7.0498 -6.8657 -6.8657 -6.2972 -6.2972 -6.1028 -6.1028 -5.9885 -5.9885 -5.7892 -5.7892 -3.6053 -3.6053 -3.5364 -3.5364 -3.3826 -3.3826 -3.2604 -3.2604 -2.6309 -2.6309 -2.4765 -2.4765 -1.4147 -1.4147 -1.1682 -1.1682 2.4354 2.4354 2.5020 2.5020 2.7082 2.7082 2.8156 2.8156 7.7232 7.7232 8.4204 8.4204 8.5864 8.5864 8.6019 8.6019 8.8564 8.8564 k = 0.0000 0.0000 0.4727 ( 4950 PWs) bands (ev): -22.1653 -22.1653 -22.1060 -22.1060 -19.3186 -19.3186 -19.2843 -19.2843 -15.0156 -15.0156 -15.0096 -15.0096 -7.0506 -7.0506 -6.8690 -6.8690 -6.2999 -6.2999 -6.1060 -6.1060 -5.9843 -5.9843 -5.7876 -5.7876 -3.6004 -3.6004 -3.5313 -3.5313 -3.3803 -3.3803 -3.2619 -3.2619 -2.6423 -2.6423 -2.4671 -2.4671 -1.4082 -1.4082 -1.1625 -1.1625 2.4234 2.4234 2.4967 2.4967 2.7087 2.7087 2.8128 2.8128 7.7063 7.7063 8.4058 8.4058 8.5850 8.5850 8.6002 8.6002 8.9273 8.9273 k = 0.0000 0.0000 0.4909 ( 4946 PWs) bands (ev): -22.1649 -22.1649 -22.1062 -22.1062 -19.3185 -19.3185 -19.2849 -19.2849 -15.0157 -15.0157 -15.0095 -15.0095 -7.0513 -7.0513 -6.8721 -6.8721 -6.3024 -6.3024 -6.1089 -6.1089 -5.9804 -5.9804 -5.7862 -5.7862 -3.5952 -3.5952 -3.5265 -3.5265 -3.3781 -3.3781 -3.2633 -3.2633 -2.6545 -2.6545 -2.4584 -2.4584 -1.4013 -1.4013 -1.1572 -1.1572 2.4122 2.4122 2.4916 2.4916 2.7092 2.7092 2.8101 2.8101 7.6906 7.6906 8.3919 8.3919 8.5836 8.5836 8.5989 8.5989 8.9993 8.9993 k = 0.0000 0.0000 0.5090 ( 4942 PWs) bands (ev): -22.1644 -22.1644 -22.1064 -22.1064 -19.3185 -19.3185 -19.2853 -19.2853 -15.0158 -15.0158 -15.0093 -15.0093 -7.0520 -7.0520 -6.8750 -6.8750 -6.3048 -6.3048 -6.1116 -6.1116 -5.9768 -5.9768 -5.7848 -5.7848 -3.5897 -3.5897 -3.5222 -3.5222 -3.3762 -3.3762 -3.2646 -3.2646 -2.6672 -2.6672 -2.4504 -2.4504 -1.3942 -1.3942 -1.1522 -1.1522 2.4019 2.4019 2.4869 2.4869 2.7097 2.7097 2.8078 2.8078 7.6762 7.6762 8.3791 8.3791 8.5822 8.5822 8.5978 8.5978 9.0716 9.0716 k = 0.0000 0.0000 0.5272 ( 4946 PWs) bands (ev): -22.1641 -22.1641 -22.1066 -22.1066 -19.3184 -19.3184 -19.2857 -19.2857 -15.0158 -15.0158 -15.0092 -15.0092 -7.0526 -7.0526 -6.8776 -6.8776 -6.3069 -6.3069 -6.1140 -6.1140 -5.9735 -5.9735 -5.7836 -5.7836 -3.5841 -3.5841 -3.5184 -3.5184 -3.3744 -3.3744 -3.2657 -3.2657 -2.6798 -2.6798 -2.4431 -2.4431 -1.3872 -1.3872 -1.1477 -1.1477 2.3925 2.3925 2.4827 2.4827 2.7101 2.7101 2.8057 2.8057 7.6634 7.6634 8.3675 8.3675 8.5810 8.5810 8.5969 8.5969 9.1436 9.1436 k = 0.0000 0.0000 0.5454 ( 4946 PWs) bands (ev): -22.1637 -22.1637 -22.1068 -22.1068 -19.3184 -19.3184 -19.2861 -19.2861 -15.0159 -15.0159 -15.0091 -15.0091 -7.0532 -7.0532 -6.8799 -6.8799 -6.3088 -6.3088 -6.1160 -6.1160 -5.9705 -5.9705 -5.7825 -5.7825 -3.5785 -3.5785 -3.5150 -3.5150 -3.3729 -3.3729 -3.2667 -3.2667 -2.6918 -2.6918 -2.4368 -2.4368 -1.3807 -1.3807 -1.1437 -1.1437 2.3843 2.3843 2.4789 2.4789 2.7105 2.7105 2.8039 2.8039 7.6520 7.6520 8.3572 8.3572 8.5799 8.5799 8.5961 8.5961 9.2145 9.2145 k = 0.0000 0.0000 0.5636 ( 4956 PWs) bands (ev): -22.1634 -22.1634 -22.1070 -22.1070 -19.3183 -19.3183 -19.2864 -19.2864 -15.0159 -15.0159 -15.0090 -15.0090 -7.0536 -7.0536 -6.8819 -6.8819 -6.3104 -6.3104 -6.1178 -6.1178 -5.9679 -5.9679 -5.7816 -5.7816 -3.5735 -3.5735 -3.5121 -3.5121 -3.3716 -3.3716 -3.2676 -3.2676 -2.7029 -2.7029 -2.4313 -2.4313 -1.3748 -1.3748 -1.1402 -1.1402 2.3772 2.3772 2.4756 2.4756 2.7108 2.7108 2.8023 2.8023 7.6424 7.6424 8.3483 8.3483 8.5790 8.5790 8.5955 8.5955 9.2830 9.2830 k = 0.0000 0.0000 0.5818 ( 4954 PWs) bands (ev): -22.1632 -22.1632 -22.1071 -22.1071 -19.3183 -19.3183 -19.2867 -19.2867 -15.0160 -15.0160 -15.0090 -15.0090 -7.0540 -7.0540 -6.8836 -6.8836 -6.3117 -6.3117 -6.1192 -6.1192 -5.9658 -5.9658 -5.7808 -5.7808 -3.5689 -3.5689 -3.5096 -3.5096 -3.3705 -3.3705 -3.2683 -3.2683 -2.7125 -2.7125 -2.4268 -2.4268 -1.3697 -1.3697 -1.1373 -1.1373 2.3712 2.3712 2.4728 2.4728 2.7111 2.7111 2.8010 2.8010 7.6344 7.6344 8.3410 8.3410 8.5782 8.5782 8.5950 8.5950 9.3474 9.3474 k = 0.0000 0.0000 0.5999 ( 4966 PWs) bands (ev): -22.1630 -22.1630 -22.1072 -22.1072 -19.3183 -19.3183 -19.2869 -19.2869 -15.0160 -15.0160 -15.0089 -15.0089 -7.0543 -7.0543 -6.8849 -6.8849 -6.3128 -6.3128 -6.1204 -6.1204 -5.9641 -5.9641 -5.7802 -5.7802 -3.5651 -3.5651 -3.5078 -3.5078 -3.3697 -3.3697 -3.2689 -3.2689 -2.7204 -2.7204 -2.4233 -2.4233 -1.3655 -1.3655 -1.1350 -1.1350 2.3666 2.3666 2.4706 2.4706 2.7113 2.7113 2.8000 2.8000 7.6282 7.6282 8.3352 8.3352 8.5776 8.5776 8.5947 8.5947 9.4053 9.4053 k = 0.0000 0.0000 0.6181 ( 4966 PWs) bands (ev): -22.1629 -22.1629 -22.1072 -22.1072 -19.3183 -19.3183 -19.2871 -19.2871 -15.0160 -15.0160 -15.0089 -15.0089 -7.0546 -7.0546 -6.8859 -6.8859 -6.3136 -6.3136 -6.1212 -6.1212 -5.9629 -5.9629 -5.7797 -5.7797 -3.5622 -3.5622 -3.5064 -3.5064 -3.3691 -3.3691 -3.2693 -3.2693 -2.7263 -2.7263 -2.4208 -2.4208 -1.3625 -1.3625 -1.1334 -1.1334 2.3632 2.3632 2.4691 2.4691 2.7114 2.7114 2.7994 2.7994 7.6238 7.6238 8.3309 8.3309 8.5771 8.5771 8.5944 8.5944 9.4528 9.4528 k = 0.0000 0.0000 0.6363 ( 4966 PWs) bands (ev): -22.1628 -22.1628 -22.1073 -22.1073 -19.3183 -19.3183 -19.2872 -19.2872 -15.0161 -15.0161 -15.0089 -15.0089 -7.0547 -7.0547 -6.8865 -6.8865 -6.3140 -6.3140 -6.1217 -6.1217 -5.9621 -5.9621 -5.7794 -5.7794 -3.5605 -3.5605 -3.5056 -3.5056 -3.3688 -3.3688 -3.2696 -3.2696 -2.7299 -2.7299 -2.4192 -2.4192 -1.3606 -1.3606 -1.1324 -1.1324 2.3612 2.3612 2.4681 2.4681 2.7115 2.7115 2.7990 2.7990 7.6210 7.6210 8.3283 8.3283 8.5768 8.5768 8.5942 8.5942 9.4850 9.4850 k = 0.0000 0.0000 0.6545 ( 4974 PWs) bands (ev): -22.1628 -22.1628 -22.1073 -22.1073 -19.3183 -19.3183 -19.2872 -19.2872 -15.0161 -15.0161 -15.0089 -15.0089 -7.0547 -7.0547 -6.8867 -6.8867 -6.3142 -6.3142 -6.1218 -6.1218 -5.9619 -5.9619 -5.7794 -5.7794 -3.5599 -3.5599 -3.5054 -3.5054 -3.3687 -3.3687 -3.2696 -3.2696 -2.7311 -2.7311 -2.4187 -2.4187 -1.3600 -1.3600 -1.1321 -1.1321 2.3605 2.3605 2.4678 2.4678 2.7115 2.7115 2.7988 2.7988 7.6201 7.6201 8.3275 8.3275 8.5767 8.5767 8.5941 8.5941 9.4965 9.4965 k = 0.0000 0.0000 0.6545 ( 4974 PWs) bands (ev): -22.1628 -22.1628 -22.1073 -22.1073 -19.3183 -19.3183 -19.2872 -19.2872 -15.0161 -15.0161 -15.0089 -15.0089 -7.0547 -7.0547 -6.8867 -6.8867 -6.3142 -6.3142 -6.1218 -6.1218 -5.9619 -5.9619 -5.7794 -5.7794 -3.5599 -3.5599 -3.5054 -3.5054 -3.3687 -3.3687 -3.2696 -3.2696 -2.7311 -2.7311 -2.4187 -2.4187 -1.3600 -1.3600 -1.1321 -1.1321 2.3605 2.3605 2.4678 2.4678 2.7115 2.7115 2.7988 2.7988 7.6201 7.6201 8.3275 8.3275 8.5767 8.5767 8.5941 8.5941 9.4965 9.4965 k =-0.0140 0.0118 0.6545 ( 4972 PWs) bands (ev): -22.1628 -22.1628 -22.1073 -22.1073 -19.3182 -19.3182 -19.2872 -19.2872 -15.0161 -15.0161 -15.0089 -15.0089 -7.0547 -7.0547 -6.8867 -6.8867 -6.3140 -6.3140 -6.1221 -6.1221 -5.9618 -5.9618 -5.7794 -5.7794 -3.5595 -3.5595 -3.5058 -3.5058 -3.3689 -3.3689 -3.2696 -3.2696 -2.7305 -2.7305 -2.4185 -2.4185 -1.3596 -1.3596 -1.1324 -1.1324 2.3611 2.3611 2.4686 2.4686 2.7115 2.7115 2.7972 2.7972 7.6219 7.6219 8.3258 8.3258 8.5742 8.5742 8.5908 8.5908 9.4947 9.4947 k =-0.0280 0.0237 0.6545 ( 4970 PWs) bands (ev): -22.1627 -22.1627 -22.1074 -22.1074 -19.3181 -19.3181 -19.2873 -19.2873 -15.0161 -15.0161 -15.0089 -15.0089 -7.0547 -7.0547 -6.8869 -6.8869 -6.3134 -6.3134 -6.1228 -6.1228 -5.9616 -5.9616 -5.7797 -5.7797 -3.5585 -3.5585 -3.5073 -3.5073 -3.3696 -3.3696 -3.2694 -3.2694 -2.7289 -2.7289 -2.4178 -2.4178 -1.3584 -1.3584 -1.1333 -1.1333 2.3631 2.3631 2.4712 2.4712 2.7113 2.7113 2.7923 2.7923 7.6271 7.6271 8.3210 8.3210 8.5659 8.5659 8.5819 8.5819 9.4891 9.4891 k =-0.0421 0.0355 0.6545 ( 4958 PWs) bands (ev): -22.1626 -22.1626 -22.1074 -22.1074 -19.3179 -19.3179 -19.2875 -19.2875 -15.0161 -15.0161 -15.0090 -15.0090 -7.0547 -7.0547 -6.8872 -6.8872 -6.3124 -6.3124 -6.1240 -6.1240 -5.9613 -5.9613 -5.7801 -5.7801 -3.5568 -3.5568 -3.5096 -3.5096 -3.3707 -3.3707 -3.2692 -3.2692 -2.7261 -2.7261 -2.4166 -2.4166 -1.3564 -1.3564 -1.1349 -1.1349 2.3663 2.3663 2.4754 2.4754 2.7111 2.7111 2.7842 2.7842 7.6358 7.6358 8.3131 8.3131 8.5495 8.5495 8.5701 8.5701 9.4798 9.4798 k =-0.0561 0.0474 0.6545 ( 4968 PWs) bands (ev): -22.1625 -22.1625 -22.1075 -22.1075 -19.3177 -19.3177 -19.2877 -19.2877 -15.0162 -15.0162 -15.0092 -15.0092 -7.0547 -7.0547 -6.8877 -6.8877 -6.3110 -6.3110 -6.1256 -6.1256 -5.9608 -5.9608 -5.7807 -5.7807 -3.5544 -3.5544 -3.5128 -3.5128 -3.3723 -3.3723 -3.2688 -3.2688 -2.7223 -2.7223 -2.4151 -2.4151 -1.3537 -1.3537 -1.1371 -1.1371 2.3707 2.3707 2.4812 2.4812 2.7107 2.7107 2.7732 2.7732 7.6476 7.6476 8.3020 8.3020 8.5245 8.5245 8.5568 8.5568 9.4669 9.4669 k =-0.0701 0.0592 0.6545 ( 4966 PWs) bands (ev): -22.1623 -22.1623 -22.1077 -22.1077 -19.3174 -19.3174 -19.2880 -19.2880 -15.0162 -15.0162 -15.0094 -15.0094 -7.0546 -7.0546 -6.8882 -6.8882 -6.3093 -6.3093 -6.1277 -6.1277 -5.9602 -5.9602 -5.7814 -5.7814 -3.5515 -3.5515 -3.5170 -3.5170 -3.3742 -3.3742 -3.2683 -3.2683 -2.7174 -2.7174 -2.4132 -2.4132 -1.3502 -1.3502 -1.1397 -1.1397 2.3763 2.3763 2.4886 2.4886 2.7100 2.7100 2.7595 2.7595 7.6626 7.6626 8.2878 8.2878 8.4924 8.4924 8.5415 8.5415 9.4506 9.4506 k =-0.0841 0.0710 0.6545 ( 4974 PWs) bands (ev): -22.1621 -22.1621 -22.1078 -22.1078 -19.3170 -19.3170 -19.2884 -19.2884 -15.0163 -15.0163 -15.0096 -15.0096 -7.0546 -7.0546 -6.8889 -6.8889 -6.3071 -6.3071 -6.1302 -6.1302 -5.9595 -5.9595 -5.7822 -5.7822 -3.5480 -3.5480 -3.5219 -3.5219 -3.3765 -3.3765 -3.2678 -3.2678 -2.7116 -2.7116 -2.4112 -2.4112 -1.3460 -1.3460 -1.1428 -1.1428 2.3831 2.3831 2.4972 2.4972 2.7086 2.7086 2.7437 2.7437 7.6803 7.6803 8.2707 8.2707 8.4545 8.4545 8.5240 8.5240 9.4308 9.4308 k =-0.0981 0.0829 0.6545 ( 4966 PWs) bands (ev): -22.1619 -22.1619 -22.1080 -22.1080 -19.3165 -19.3165 -19.2888 -19.2888 -15.0164 -15.0164 -15.0099 -15.0099 -7.0545 -7.0545 -6.8898 -6.8898 -6.3047 -6.3047 -6.1332 -6.1332 -5.9586 -5.9586 -5.7831 -5.7831 -3.5442 -3.5442 -3.5274 -3.5274 -3.3790 -3.3790 -3.2671 -3.2671 -2.7048 -2.7048 -2.4091 -2.4091 -1.3411 -1.3411 -1.1462 -1.1462 2.3911 2.3911 2.5070 2.5070 2.7051 2.7051 2.7279 2.7279 7.7006 7.7006 8.2509 8.2509 8.4119 8.4119 8.5045 8.5045 9.4078 9.4078 k =-0.1121 0.0947 0.6545 ( 4958 PWs) bands (ev): -22.1616 -22.1616 -22.1082 -22.1082 -19.3160 -19.3160 -19.2893 -19.2893 -15.0164 -15.0164 -15.0102 -15.0102 -7.0545 -7.0545 -6.8907 -6.8907 -6.3019 -6.3019 -6.1365 -6.1365 -5.9575 -5.9575 -5.7841 -5.7841 -3.5411 -3.5411 -3.5326 -3.5326 -3.3817 -3.3817 -3.2664 -3.2664 -2.6971 -2.6971 -2.4070 -2.4070 -1.3355 -1.3355 -1.1497 -1.1497 2.4000 2.4000 2.5175 2.5175 2.6942 2.6942 2.7176 2.7176 7.7231 7.7231 8.2286 8.2286 8.3654 8.3654 8.4834 8.4834 9.3818 9.3818 k =-0.1262 0.1066 0.6545 ( 4966 PWs) bands (ev): -22.1614 -22.1614 -22.1084 -22.1084 -19.3155 -19.3155 -19.2899 -19.2899 -15.0166 -15.0166 -15.0105 -15.0105 -7.0544 -7.0544 -6.8918 -6.8918 -6.2989 -6.2989 -6.1401 -6.1401 -5.9562 -5.9562 -5.7852 -5.7852 -3.5441 -3.5441 -3.5319 -3.5319 -3.3847 -3.3847 -3.2656 -3.2656 -2.6886 -2.6886 -2.4050 -2.4050 -1.3292 -1.3292 -1.1534 -1.1534 2.4100 2.4100 2.5278 2.5278 2.6759 2.6759 2.7140 2.7140 7.7473 7.7473 8.2038 8.2038 8.3158 8.3158 8.4608 8.4608 9.3530 9.3530 k =-0.1402 0.1184 0.6545 ( 4958 PWs) bands (ev): -22.1610 -22.1610 -22.1087 -22.1087 -19.3149 -19.3149 -19.2904 -19.2904 -15.0167 -15.0167 -15.0108 -15.0108 -7.0544 -7.0544 -6.8931 -6.8931 -6.2956 -6.2956 -6.1441 -6.1441 -5.9548 -5.9548 -5.7862 -5.7862 -3.5516 -3.5516 -3.5271 -3.5271 -3.3877 -3.3877 -3.2646 -3.2646 -2.6794 -2.6794 -2.4033 -2.4033 -1.3223 -1.3223 -1.1569 -1.1569 2.4209 2.4209 2.5362 2.5362 2.6568 2.6568 2.7126 2.7126 7.7731 7.7731 8.1768 8.1768 8.2641 8.2641 8.4372 8.4372 9.3217 9.3217 k =-0.1542 0.1302 0.6545 ( 4954 PWs) bands (ev): -22.1607 -22.1607 -22.1090 -22.1090 -19.3142 -19.3142 -19.2910 -19.2910 -15.0168 -15.0168 -15.0112 -15.0112 -7.0543 -7.0543 -6.8944 -6.8944 -6.2920 -6.2920 -6.1483 -6.1483 -5.9531 -5.9531 -5.7872 -5.7872 -3.5602 -3.5602 -3.5214 -3.5214 -3.3907 -3.3907 -3.2636 -3.2636 -2.6696 -2.6696 -2.4020 -2.4020 -1.3148 -1.3148 -1.1603 -1.1603 2.4326 2.4326 2.5391 2.5391 2.6420 2.6420 2.7116 2.7116 7.7998 7.7998 8.1477 8.1477 8.2108 8.2108 8.4129 8.4129 9.2881 9.2881 k =-0.1682 0.1421 0.6545 ( 4954 PWs) bands (ev): -22.1604 -22.1604 -22.1092 -22.1092 -19.3135 -19.3135 -19.2917 -19.2917 -15.0169 -15.0169 -15.0116 -15.0116 -7.0543 -7.0543 -6.8959 -6.8959 -6.2883 -6.2883 -6.1527 -6.1527 -5.9512 -5.9512 -5.7883 -5.7883 -3.5697 -3.5697 -3.5153 -3.5153 -3.3936 -3.3936 -3.2626 -3.2626 -2.6592 -2.6592 -2.4012 -2.4012 -1.3067 -1.3067 -1.1635 -1.1635 2.4450 2.4450 2.5315 2.5315 2.6372 2.6372 2.7108 2.7108 7.8270 7.8270 8.1163 8.1163 8.1570 8.1570 8.3881 8.3881 9.2525 9.2525 k =-0.1822 0.1539 0.6545 ( 4968 PWs) bands (ev): -22.1600 -22.1600 -22.1096 -22.1096 -19.3128 -19.3128 -19.2924 -19.2924 -15.0170 -15.0170 -15.0121 -15.0121 -7.0542 -7.0542 -6.8976 -6.8976 -6.2844 -6.2844 -6.1574 -6.1574 -5.9490 -5.9490 -5.7893 -5.7893 -3.5798 -3.5798 -3.5090 -3.5090 -3.3965 -3.3965 -3.2614 -3.2614 -2.6484 -2.6484 -2.4010 -2.4010 -1.2982 -1.2982 -1.1662 -1.1662 2.4580 2.4580 2.5127 2.5127 2.6431 2.6431 2.7102 2.7102 7.8543 7.8543 8.0814 8.0814 8.1047 8.1047 8.3630 8.3630 9.2152 9.2152 k =-0.1962 0.1658 0.6545 ( 4964 PWs) bands (ev): -22.1596 -22.1596 -22.1099 -22.1099 -19.3121 -19.3121 -19.2931 -19.2931 -15.0172 -15.0172 -15.0125 -15.0125 -7.0541 -7.0541 -6.8994 -6.8994 -6.2805 -6.2805 -6.1621 -6.1621 -5.9466 -5.9466 -5.7902 -5.7902 -3.5903 -3.5903 -3.5025 -3.5025 -3.3991 -3.3991 -3.2601 -3.2601 -2.6373 -2.6373 -2.4015 -2.4015 -1.2893 -1.2893 -1.1684 -1.1684 2.4707 2.4707 2.4874 2.4874 2.6563 2.6563 2.7097 2.7097 7.8813 7.8813 8.0373 8.0373 8.0604 8.0604 8.3381 8.3381 9.1766 9.1766 k =-0.2103 0.1776 0.6545 ( 4976 PWs) bands (ev): -22.1592 -22.1592 -22.1102 -22.1102 -19.3113 -19.3113 -19.2939 -19.2939 -15.0174 -15.0174 -15.0130 -15.0130 -7.0541 -7.0541 -6.9013 -6.9013 -6.2765 -6.2765 -6.1670 -6.1670 -5.9439 -5.9439 -5.7911 -5.7911 -3.6014 -3.6014 -3.4959 -3.4959 -3.4017 -3.4017 -3.2589 -3.2589 -2.6260 -2.6260 -2.4027 -2.4027 -1.2800 -1.2800 -1.1700 -1.1700 2.4552 2.4552 2.4868 2.4868 2.6732 2.6732 2.7092 2.7092 7.9074 7.9074 7.9850 7.9850 8.0237 8.0237 8.3135 8.3135 9.1369 9.1369 k =-0.2243 0.1894 0.6545 ( 4972 PWs) bands (ev): -22.1588 -22.1588 -22.1105 -22.1105 -19.3105 -19.3105 -19.2947 -19.2947 -15.0175 -15.0175 -15.0135 -15.0135 -7.0540 -7.0540 -6.9033 -6.9033 -6.2725 -6.2725 -6.1719 -6.1719 -5.9409 -5.9409 -5.7919 -5.7919 -3.6127 -3.6127 -3.4892 -3.4892 -3.4038 -3.4038 -3.2576 -3.2576 -2.6147 -2.6147 -2.4046 -2.4046 -1.2703 -1.2703 -1.1710 -1.1710 2.4233 2.4233 2.5009 2.5009 2.6918 2.6918 2.7096 2.7096 7.9288 7.9288 7.9348 7.9348 7.9886 7.9886 8.2894 8.2894 9.0965 9.0965 k =-0.2383 0.2013 0.6545 ( 4974 PWs) bands (ev): -22.1584 -22.1584 -22.1108 -22.1108 -19.3097 -19.3097 -19.2954 -19.2954 -15.0177 -15.0177 -15.0140 -15.0140 -7.0539 -7.0539 -6.9055 -6.9055 -6.2685 -6.2685 -6.1768 -6.1768 -5.9377 -5.9377 -5.7926 -5.7926 -3.6243 -3.6243 -3.4826 -3.4826 -3.4057 -3.4057 -3.2562 -3.2562 -2.6034 -2.6034 -2.4071 -2.4071 -1.2604 -1.2604 -1.1712 -1.1712 2.3900 2.3900 2.5155 2.5155 2.7042 2.7042 2.7174 2.7174 7.8776 7.8776 7.9524 7.9524 7.9575 7.9575 8.2661 8.2661 9.0557 9.0557 k =-0.2523 0.2131 0.6545 ( 4978 PWs) bands (ev): -22.1579 -22.1579 -22.1112 -22.1112 -19.3089 -19.3089 -19.2962 -19.2962 -15.0179 -15.0179 -15.0144 -15.0144 -7.0538 -7.0538 -6.9077 -6.9077 -6.2647 -6.2647 -6.1816 -6.1816 -5.9342 -5.9342 -5.7933 -5.7933 -3.6361 -3.6361 -3.4761 -3.4761 -3.4073 -3.4073 -3.2549 -3.2549 -2.5924 -2.5924 -2.4103 -2.4103 -1.2504 -1.2504 -1.1706 -1.1706 2.3562 2.3562 2.5303 2.5303 2.7054 2.7054 2.7373 2.7373 7.8252 7.8252 7.9190 7.9190 7.9777 7.9777 8.2435 8.2435 9.0148 9.0148 k =-0.2663 0.2250 0.6545 ( 4978 PWs) bands (ev): -22.1575 -22.1575 -22.1115 -22.1115 -19.3080 -19.3080 -19.2970 -19.2970 -15.0180 -15.0180 -15.0149 -15.0149 -7.0536 -7.0536 -6.9101 -6.9101 -6.2610 -6.2610 -6.1862 -6.1862 -5.9305 -5.9305 -5.7938 -5.7938 -3.6480 -3.6480 -3.4697 -3.4697 -3.4085 -3.4085 -3.2535 -3.2535 -2.5819 -2.5819 -2.4139 -2.4139 -1.2404 -1.2404 -1.1693 -1.1693 2.3223 2.3223 2.5451 2.5451 2.7051 2.7051 2.7592 2.7592 7.7742 7.7742 7.8849 7.8849 7.9969 7.9969 8.2219 8.2219 8.9741 8.9741 k =-0.2804 0.2368 0.6545 ( 4978 PWs) bands (ev): -22.1571 -22.1571 -22.1119 -22.1119 -19.3072 -19.3072 -19.2978 -19.2978 -15.0182 -15.0182 -15.0154 -15.0154 -7.0534 -7.0534 -6.9125 -6.9125 -6.2575 -6.2575 -6.1907 -6.1907 -5.9265 -5.9265 -5.7943 -5.7943 -3.6598 -3.6598 -3.4635 -3.4635 -3.4093 -3.4093 -3.2522 -3.2522 -2.5721 -2.5721 -2.4177 -2.4177 -1.2303 -1.2303 -1.1672 -1.1672 2.2887 2.2887 2.5597 2.5597 2.7046 2.7046 2.7817 2.7817 7.7249 7.7249 7.8513 7.8513 8.0138 8.0138 8.2015 8.2015 8.9338 8.9338 k =-0.2944 0.2486 0.6545 ( 4982 PWs) bands (ev): -22.1567 -22.1567 -22.1122 -22.1122 -19.3064 -19.3064 -19.2985 -19.2985 -15.0184 -15.0184 -15.0159 -15.0159 -7.0533 -7.0533 -6.9150 -6.9150 -6.2543 -6.2543 -6.1950 -6.1950 -5.9223 -5.9223 -5.7948 -5.7948 -3.6716 -3.6716 -3.4576 -3.4576 -3.4097 -3.4097 -3.2508 -3.2508 -2.5632 -2.5632 -2.4216 -2.4216 -1.2205 -1.2205 -1.1644 -1.1644 2.2557 2.2557 2.5742 2.5742 2.7040 2.7040 2.8042 2.8042 7.6775 7.6775 7.8186 7.8186 8.0281 8.0281 8.1822 8.1822 8.8944 8.8944 k =-0.3084 0.2605 0.6545 ( 4974 PWs) bands (ev): -22.1563 -22.1563 -22.1125 -22.1125 -19.3057 -19.3057 -19.2992 -19.2992 -15.0186 -15.0186 -15.0163 -15.0163 -7.0530 -7.0530 -6.9175 -6.9175 -6.2514 -6.2514 -6.1989 -6.1989 -5.9180 -5.9180 -5.7951 -5.7951 -3.6831 -3.6831 -3.4520 -3.4520 -3.4097 -3.4097 -3.2495 -3.2495 -2.5556 -2.5556 -2.4251 -2.4251 -1.2108 -1.2108 -1.1610 -1.1610 2.2237 2.2237 2.5884 2.5884 2.7034 2.7034 2.8265 2.8265 7.6323 7.6323 7.7870 7.7870 8.0399 8.0399 8.1643 8.1643 8.8560 8.8560 k =-0.3224 0.2723 0.6545 ( 4982 PWs) bands (ev): -22.1559 -22.1559 -22.1128 -22.1128 -19.3049 -19.3049 -19.2999 -19.2999 -15.0187 -15.0187 -15.0168 -15.0168 -7.0528 -7.0528 -6.9201 -6.9201 -6.2488 -6.2488 -6.2025 -6.2025 -5.9136 -5.9136 -5.7954 -5.7954 -3.6944 -3.6944 -3.4468 -3.4468 -3.4094 -3.4094 -3.2482 -3.2482 -2.5496 -2.5496 -2.4280 -2.4280 -1.2015 -1.2015 -1.1569 -1.1569 2.1928 2.1928 2.6021 2.6021 2.7028 2.7028 2.8484 2.8484 7.5895 7.5895 7.7567 7.7567 8.0491 8.0491 8.1476 8.1476 8.8189 8.8189 k =-0.3364 0.2841 0.6545 ( 4964 PWs) bands (ev): -22.1555 -22.1555 -22.1131 -22.1131 -19.3042 -19.3042 -19.3006 -19.3006 -15.0189 -15.0189 -15.0172 -15.0172 -7.0525 -7.0525 -6.9226 -6.9226 -6.2467 -6.2467 -6.2057 -6.2057 -5.9091 -5.9091 -5.7956 -5.7956 -3.7052 -3.7052 -3.4420 -3.4420 -3.4087 -3.4087 -3.2470 -3.2470 -2.5454 -2.5454 -2.4298 -2.4298 -1.1927 -1.1927 -1.1523 -1.1523 2.1633 2.1633 2.6153 2.6153 2.7022 2.7022 2.8697 2.8697 7.5492 7.5492 7.7280 7.7280 8.0559 8.0559 8.1323 8.1323 8.7835 8.7835 k =-0.3504 0.2960 0.6545 ( 4956 PWs) bands (ev): -22.1552 -22.1552 -22.1134 -22.1134 -19.3035 -19.3035 -19.3012 -19.3012 -15.0191 -15.0191 -15.0176 -15.0176 -7.0523 -7.0523 -6.9250 -6.9250 -6.2450 -6.2450 -6.2084 -6.2084 -5.9047 -5.9047 -5.7958 -5.7958 -3.7156 -3.7156 -3.4376 -3.4376 -3.4076 -3.4076 -3.2458 -3.2458 -2.5432 -2.5432 -2.4304 -2.4304 -1.1844 -1.1844 -1.1473 -1.1473 2.1354 2.1354 2.6278 2.6278 2.7016 2.7016 2.8900 2.8900 7.5116 7.5116 7.7009 7.7009 8.0605 8.0605 8.1185 8.1185 8.7498 8.7498 k =-0.3504 0.2960 0.6545 ( 4956 PWs) bands (ev): -22.1552 -22.1552 -22.1134 -22.1134 -19.3035 -19.3035 -19.3012 -19.3012 -15.0191 -15.0191 -15.0176 -15.0176 -7.0523 -7.0523 -6.9250 -6.9250 -6.2450 -6.2450 -6.2084 -6.2084 -5.9047 -5.9047 -5.7958 -5.7958 -3.7156 -3.7156 -3.4376 -3.4376 -3.4076 -3.4076 -3.2458 -3.2458 -2.5432 -2.5432 -2.4304 -2.4304 -1.1844 -1.1844 -1.1473 -1.1473 2.1354 2.1354 2.6278 2.6278 2.7016 2.7016 2.8900 2.8900 7.5116 7.5116 7.7009 7.7009 8.0605 8.0605 8.1185 8.1185 8.7498 8.7498 k =-0.3598 0.3039 0.6422 ( 4971 PWs) bands (ev): -22.1550 -22.1550 -22.1135 -22.1135 -19.3031 -19.3031 -19.3016 -19.3016 -15.0192 -15.0192 -15.0178 -15.0178 -7.0521 -7.0521 -6.9266 -6.9266 -6.2442 -6.2442 -6.2098 -6.2098 -5.9019 -5.9019 -5.7959 -5.7959 -3.7220 -3.7220 -3.4360 -3.4360 -3.4059 -3.4059 -3.2451 -3.2451 -2.5425 -2.5425 -2.4302 -2.4302 -1.1799 -1.1799 -1.1436 -1.1436 2.1183 2.1183 2.6354 2.6354 2.7013 2.7013 2.9026 2.9026 7.4888 7.4888 7.6845 7.6845 8.0588 8.0588 8.1141 8.1141 8.7289 8.7289 k =-0.3691 0.3118 0.6300 ( 4969 PWs) bands (ev): -22.1548 -22.1548 -22.1137 -22.1137 -19.3028 -19.3028 -19.3020 -19.3020 -15.0193 -15.0193 -15.0180 -15.0180 -7.0519 -7.0519 -6.9279 -6.9279 -6.2437 -6.2437 -6.2108 -6.2108 -5.8994 -5.8994 -5.7960 -5.7960 -3.7278 -3.7278 -3.4360 -3.4360 -3.4030 -3.4030 -3.2444 -3.2444 -2.5421 -2.5421 -2.4299 -2.4299 -1.1768 -1.1768 -1.1395 -1.1395 2.1032 2.1032 2.6422 2.6422 2.7011 2.7011 2.9139 2.9139 7.4687 7.4687 7.6701 7.6701 8.0508 8.0508 8.1171 8.1171 8.7100 8.7100 k =-0.3785 0.3197 0.6178 ( 4963 PWs) bands (ev): -22.1546 -22.1546 -22.1138 -22.1138 -19.3025 -19.3025 -19.3021 -19.3021 -15.0195 -15.0195 -15.0181 -15.0181 -7.0517 -7.0517 -6.9291 -6.9291 -6.2433 -6.2433 -6.2115 -6.2115 -5.8973 -5.8973 -5.7961 -5.7961 -3.7328 -3.7328 -3.4369 -3.4369 -3.3995 -3.3995 -3.2438 -3.2438 -2.5418 -2.5418 -2.4295 -2.4295 -1.1749 -1.1749 -1.1353 -1.1353 2.0903 2.0903 2.6480 2.6480 2.7010 2.7010 2.9236 2.9236 7.4516 7.4516 7.6579 7.6579 8.0407 8.0407 8.1232 8.1232 8.6933 8.6933 k =-0.3878 0.3276 0.6055 ( 4969 PWs) bands (ev): -22.1545 -22.1545 -22.1139 -22.1139 -19.3026 -19.3026 -19.3020 -19.3020 -15.0196 -15.0196 -15.0182 -15.0182 -7.0516 -7.0516 -6.9300 -6.9300 -6.2432 -6.2432 -6.2120 -6.2120 -5.8955 -5.8955 -5.7962 -5.7962 -3.7370 -3.7370 -3.4382 -3.4382 -3.3963 -3.3963 -3.2433 -3.2433 -2.5416 -2.5416 -2.4290 -2.4290 -1.1737 -1.1737 -1.1314 -1.1314 2.0795 2.0795 2.6528 2.6528 2.7011 2.7011 2.9318 2.9318 7.4375 7.4375 7.6478 7.6478 8.0311 8.0311 8.1296 8.1296 8.6793 8.6793 k =-0.3972 0.3355 0.5933 ( 4981 PWs) bands (ev): -22.1544 -22.1544 -22.1140 -22.1140 -19.3028 -19.3028 -19.3019 -19.3019 -15.0198 -15.0198 -15.0183 -15.0183 -7.0514 -7.0514 -6.9308 -6.9308 -6.2431 -6.2431 -6.2123 -6.2123 -5.8941 -5.8941 -5.7963 -5.7963 -3.7403 -3.7403 -3.4393 -3.4393 -3.3936 -3.3936 -3.2430 -3.2430 -2.5416 -2.5416 -2.4286 -2.4286 -1.1730 -1.1730 -1.1282 -1.1282 2.0711 2.0711 2.6565 2.6565 2.7012 2.7012 2.9382 2.9382 7.4263 7.4263 7.6399 7.6399 8.0230 8.0230 8.1353 8.1353 8.6680 8.6680 k =-0.4065 0.3434 0.5811 ( 4977 PWs) bands (ev): -22.1543 -22.1543 -22.1141 -22.1141 -19.3029 -19.3029 -19.3017 -19.3017 -15.0199 -15.0199 -15.0183 -15.0183 -7.0513 -7.0513 -6.9313 -6.9313 -6.2431 -6.2431 -6.2125 -6.2125 -5.8931 -5.8931 -5.7963 -5.7963 -3.7426 -3.7426 -3.4402 -3.4402 -3.3915 -3.3915 -3.2427 -3.2427 -2.5415 -2.5415 -2.4282 -2.4282 -1.1726 -1.1726 -1.1258 -1.1258 2.0650 2.0650 2.6591 2.6591 2.7014 2.7014 2.9429 2.9429 7.4184 7.4184 7.6342 7.6342 8.0170 8.0170 8.1397 8.1397 8.6598 8.6598 k =-0.4159 0.3513 0.5688 ( 4976 PWs) bands (ev): -22.1543 -22.1543 -22.1141 -22.1141 -19.3030 -19.3030 -19.3016 -19.3016 -15.0199 -15.0199 -15.0183 -15.0183 -7.0513 -7.0513 -6.9317 -6.9317 -6.2431 -6.2431 -6.2125 -6.2125 -5.8925 -5.8925 -5.7963 -5.7963 -3.7441 -3.7441 -3.4408 -3.4408 -3.3902 -3.3902 -3.2425 -3.2425 -2.5415 -2.5415 -2.4280 -2.4280 -1.1724 -1.1724 -1.1243 -1.1243 2.0614 2.0614 2.6607 2.6607 2.7015 2.7015 2.9458 2.9458 7.4136 7.4136 7.6308 7.6308 8.0134 8.0134 8.1424 8.1424 8.6548 8.6548 k =-0.4252 0.3592 0.5566 ( 4980 PWs) bands (ev): -22.1543 -22.1543 -22.1141 -22.1141 -19.3030 -19.3030 -19.3016 -19.3016 -15.0199 -15.0199 -15.0183 -15.0183 -7.0513 -7.0513 -6.9318 -6.9318 -6.2431 -6.2431 -6.2126 -6.2126 -5.8923 -5.8923 -5.7964 -5.7964 -3.7446 -3.7446 -3.4410 -3.4410 -3.3898 -3.3898 -3.2424 -3.2424 -2.5415 -2.5415 -2.4279 -2.4279 -1.1723 -1.1723 -1.1238 -1.1238 2.0601 2.0601 2.6612 2.6612 2.7015 2.7015 2.9467 2.9467 7.4120 7.4120 7.6297 7.6297 8.0121 8.0121 8.1433 8.1433 8.6531 8.6531 k =-0.4252 0.3592 0.5566 ( 4980 PWs) bands (ev): -22.1543 -22.1543 -22.1141 -22.1141 -19.3030 -19.3030 -19.3016 -19.3016 -15.0199 -15.0199 -15.0183 -15.0183 -7.0513 -7.0513 -6.9318 -6.9318 -6.2431 -6.2431 -6.2126 -6.2126 -5.8923 -5.8923 -5.7964 -5.7964 -3.7446 -3.7446 -3.4410 -3.4410 -3.3898 -3.3898 -3.2424 -3.2424 -2.5415 -2.5415 -2.4279 -2.4279 -1.1723 -1.1723 -1.1238 -1.1238 2.0601 2.0601 2.6612 2.6612 2.7015 2.7015 2.9467 2.9467 7.4120 7.4120 7.6297 7.6297 8.0121 8.0121 8.1433 8.1433 8.6531 8.6531 k =-0.4153 0.3508 0.5437 ( 4976 PWs) bands (ev): -22.1546 -22.1546 -22.1139 -22.1139 -19.3025 -19.3025 -19.3021 -19.3021 -15.0199 -15.0199 -15.0179 -15.0179 -7.0515 -7.0515 -6.9295 -6.9295 -6.2432 -6.2432 -6.2112 -6.2112 -5.8966 -5.8966 -5.7964 -5.7964 -3.7367 -3.7367 -3.4490 -3.4490 -3.3871 -3.3871 -3.2433 -3.2433 -2.5349 -2.5349 -2.4329 -2.4329 -1.1828 -1.1828 -1.1265 -1.1265 2.0815 2.0815 2.6520 2.6520 2.7024 2.7024 2.9309 2.9309 7.4395 7.4395 7.6507 7.6507 8.0028 8.0028 8.1673 8.1673 8.6759 8.6759 k =-0.4054 0.3424 0.5307 ( 4976 PWs) bands (ev): -22.1549 -22.1549 -22.1136 -22.1136 -19.3027 -19.3027 -19.3019 -19.3019 -15.0199 -15.0199 -15.0174 -15.0174 -7.0517 -7.0517 -6.9270 -6.9270 -6.2436 -6.2436 -6.2093 -6.2093 -5.9014 -5.9014 -5.7965 -5.7965 -3.7282 -3.7282 -3.4580 -3.4580 -3.3840 -3.3840 -3.2441 -3.2441 -2.5277 -2.5277 -2.4383 -2.4383 -1.1944 -1.1944 -1.1292 -1.1292 2.1049 2.1049 2.6421 2.6421 2.7033 2.7033 2.9138 2.9138 7.4699 7.4699 7.6741 7.6741 7.9930 7.9930 8.1933 8.1933 8.6999 8.6999 k =-0.3956 0.3341 0.5178 ( 4980 PWs) bands (ev): -22.1553 -22.1553 -22.1134 -22.1134 -19.3034 -19.3034 -19.3013 -19.3013 -15.0199 -15.0199 -15.0170 -15.0170 -7.0519 -7.0519 -6.9242 -6.9242 -6.2444 -6.2444 -6.2069 -6.2069 -5.9064 -5.9064 -5.7966 -5.7966 -3.7192 -3.7192 -3.4677 -3.4677 -3.3808 -3.3808 -3.2450 -3.2450 -2.5201 -2.5201 -2.4439 -2.4439 -1.2073 -1.2073 -1.1321 -1.1321 2.1302 2.1302 2.6317 2.6317 2.7043 2.7043 2.8956 2.8956 7.5030 7.5030 7.6997 7.6997 7.9829 7.9829 8.2211 8.2211 8.7246 8.7246 k =-0.3857 0.3257 0.5048 ( 4970 PWs) bands (ev): -22.1557 -22.1557 -22.1131 -22.1131 -19.3040 -19.3040 -19.3006 -19.3006 -15.0198 -15.0198 -15.0165 -15.0165 -7.0520 -7.0520 -6.9213 -6.9213 -6.2454 -6.2454 -6.2039 -6.2039 -5.9118 -5.9118 -5.7967 -5.7967 -3.7098 -3.7098 -3.4779 -3.4779 -3.3775 -3.3775 -3.2459 -3.2459 -2.5122 -2.5122 -2.4497 -2.4497 -1.2210 -1.2210 -1.1353 -1.1353 2.1573 2.1573 2.6211 2.6211 2.7054 2.7054 2.8766 2.8766 7.5386 7.5386 7.7275 7.7275 7.9726 7.9726 8.2504 8.2504 8.7494 8.7494 k =-0.3758 0.3174 0.4919 ( 4966 PWs) bands (ev): -22.1561 -22.1561 -22.1127 -22.1127 -19.3047 -19.3047 -19.2998 -19.2998 -15.0198 -15.0198 -15.0159 -15.0159 -7.0521 -7.0521 -6.9182 -6.9182 -6.2467 -6.2467 -6.2004 -6.2004 -5.9174 -5.9174 -5.7968 -5.7968 -3.7001 -3.7001 -3.4886 -3.4886 -3.3742 -3.3742 -3.2468 -3.2468 -2.5041 -2.5041 -2.4556 -2.4556 -1.2355 -1.2355 -1.1387 -1.1387 2.1858 2.1858 2.6103 2.6103 2.7064 2.7064 2.8571 2.8571 7.5765 7.5765 7.7574 7.7574 7.9623 7.9623 8.2808 8.2808 8.7738 8.7738 k =-0.3659 0.3090 0.4789 ( 4974 PWs) bands (ev): -22.1566 -22.1566 -22.1124 -22.1124 -19.3054 -19.3054 -19.2991 -19.2991 -15.0197 -15.0197 -15.0154 -15.0154 -7.0521 -7.0521 -6.9150 -6.9150 -6.2482 -6.2482 -6.1964 -6.1964 -5.9233 -5.9233 -5.7970 -5.7970 -3.6904 -3.6904 -3.4997 -3.4997 -3.3711 -3.3711 -3.2476 -3.2476 -2.4960 -2.4960 -2.4615 -2.4615 -1.2505 -1.2505 -1.1425 -1.1425 2.2157 2.2157 2.5995 2.5995 2.7075 2.7075 2.8371 2.8371 7.6165 7.6165 7.7891 7.7891 7.9521 7.9521 8.3119 8.3119 8.7970 8.7970 k =-0.3560 0.3007 0.4660 ( 4978 PWs) bands (ev): -22.1571 -22.1571 -22.1120 -22.1120 -19.3062 -19.3062 -19.2982 -19.2982 -15.0197 -15.0197 -15.0149 -15.0149 -7.0521 -7.0521 -6.9116 -6.9116 -6.2498 -6.2498 -6.1921 -6.1921 -5.9292 -5.9292 -5.7972 -5.7972 -3.6806 -3.6806 -3.5110 -3.5110 -3.3682 -3.3682 -3.2485 -3.2485 -2.4880 -2.4880 -2.4673 -2.4673 -1.2659 -1.2659 -1.1467 -1.1467 2.2466 2.2466 2.5889 2.5889 2.7085 2.7085 2.8170 2.8170 7.6584 7.6584 7.8226 7.8226 7.9422 7.9422 8.3435 8.3435 8.8181 8.8181 k =-0.3461 0.2923 0.4530 ( 4972 PWs) bands (ev): -22.1576 -22.1576 -22.1117 -22.1117 -19.3069 -19.3069 -19.2974 -19.2974 -15.0196 -15.0196 -15.0144 -15.0144 -7.0520 -7.0520 -6.9081 -6.9081 -6.2515 -6.2515 -6.1873 -6.1873 -5.9353 -5.9353 -5.7975 -5.7975 -3.6710 -3.6710 -3.5223 -3.5223 -3.3655 -3.3655 -3.2492 -3.2492 -2.4807 -2.4807 -2.4726 -2.4726 -1.2815 -1.2815 -1.1514 -1.1514 2.2784 2.2784 2.5788 2.5788 2.7096 2.7096 2.7969 2.7969 7.7020 7.7020 7.8578 7.8578 7.9326 7.9326 8.3751 8.3751 8.8365 8.8365 k =-0.3362 0.2840 0.4401 ( 4978 PWs) bands (ev): -22.1581 -22.1581 -22.1113 -22.1113 -19.3077 -19.3077 -19.2965 -19.2965 -15.0195 -15.0195 -15.0138 -15.0138 -7.0518 -7.0518 -6.9044 -6.9044 -6.2533 -6.2533 -6.1822 -6.1822 -5.9415 -5.9415 -5.7977 -5.7977 -3.6616 -3.6616 -3.5336 -3.5336 -3.3633 -3.3633 -3.2500 -3.2500 -2.4795 -2.4795 -2.4721 -2.4721 -1.2971 -1.2971 -1.1564 -1.1564 2.3109 2.3109 2.5691 2.5691 2.7105 2.7105 2.7770 2.7770 7.7468 7.7468 7.8943 7.8943 7.9237 7.9237 8.4065 8.4065 8.8511 8.8511 k =-0.3263 0.2756 0.4272 ( 4986 PWs) bands (ev): -22.1587 -22.1587 -22.1109 -22.1109 -19.3085 -19.3085 -19.2955 -19.2955 -15.0194 -15.0194 -15.0133 -15.0133 -7.0516 -7.0516 -6.9007 -6.9007 -6.2549 -6.2549 -6.1769 -6.1769 -5.9477 -5.9477 -5.7981 -5.7981 -3.6525 -3.6525 -3.5447 -3.5447 -3.3616 -3.3616 -3.2506 -3.2506 -2.4844 -2.4844 -2.4659 -2.4659 -1.3124 -1.3124 -1.1618 -1.1618 2.3438 2.3438 2.5600 2.5600 2.7115 2.7115 2.7575 2.7575 7.7928 7.7928 7.9147 7.9147 7.9329 7.9329 8.4371 8.4371 8.8611 8.8611 k =-0.3164 0.2673 0.4142 ( 4988 PWs) bands (ev): -22.1593 -22.1593 -22.1104 -22.1104 -19.3093 -19.3093 -19.2946 -19.2946 -15.0193 -15.0193 -15.0129 -15.0129 -7.0513 -7.0513 -6.8968 -6.8968 -6.2566 -6.2566 -6.1712 -6.1712 -5.9538 -5.9538 -5.7985 -5.7985 -3.6439 -3.6439 -3.5555 -3.5555 -3.3604 -3.3604 -3.2511 -3.2511 -2.4893 -2.4893 -2.4602 -2.4602 -1.3273 -1.3273 -1.1677 -1.1677 2.3769 2.3769 2.5518 2.5518 2.7123 2.7123 2.7386 2.7386 7.8397 7.8397 7.9072 7.9072 7.9718 7.9718 8.4667 8.4667 8.8656 8.8656 k =-0.3066 0.2589 0.4013 ( 4974 PWs) bands (ev): -22.1600 -22.1600 -22.1100 -22.1100 -19.3100 -19.3100 -19.2936 -19.2936 -15.0192 -15.0192 -15.0124 -15.0124 -7.0509 -7.0509 -6.8929 -6.8929 -6.2581 -6.2581 -6.1654 -6.1654 -5.9600 -5.9600 -5.7989 -5.7989 -3.6359 -3.6359 -3.5658 -3.5658 -3.3597 -3.3597 -3.2515 -3.2515 -2.4941 -2.4941 -2.4555 -2.4555 -1.3416 -1.3416 -1.1739 -1.1739 2.4102 2.4102 2.5445 2.5445 2.7131 2.7131 2.7205 2.7205 7.8868 7.8868 7.9008 7.9008 8.0119 8.0119 8.4950 8.4950 8.8639 8.8639 k =-0.2967 0.2506 0.3883 ( 4970 PWs) bands (ev): -22.1606 -22.1606 -22.1096 -22.1096 -19.3108 -19.3108 -19.2926 -19.2926 -15.0191 -15.0191 -15.0120 -15.0120 -7.0505 -7.0505 -6.8889 -6.8889 -6.2595 -6.2595 -6.1593 -6.1593 -5.9661 -5.9661 -5.7993 -5.7993 -3.6285 -3.6285 -3.5756 -3.5756 -3.3596 -3.3596 -3.2518 -3.2518 -2.4986 -2.4986 -2.4521 -2.4521 -1.3549 -1.3549 -1.1804 -1.1804 2.4432 2.4432 2.5383 2.5383 2.7031 2.7031 2.7139 2.7139 7.8945 7.8945 7.9349 7.9349 8.0527 8.0527 8.5217 8.5217 8.8556 8.8556 k =-0.2868 0.2422 0.3754 ( 4975 PWs) bands (ev): -22.1613 -22.1613 -22.1091 -22.1091 -19.3115 -19.3115 -19.2916 -19.2916 -15.0190 -15.0190 -15.0116 -15.0116 -7.0500 -7.0500 -6.8848 -6.8848 -6.2607 -6.2607 -6.1531 -6.1531 -5.9720 -5.9720 -5.7998 -5.7998 -3.6218 -3.6218 -3.5847 -3.5847 -3.3601 -3.3601 -3.2519 -3.2519 -2.5028 -2.5028 -2.4501 -2.4501 -1.3672 -1.3672 -1.1873 -1.1873 2.4757 2.4757 2.5332 2.5332 2.6868 2.6868 2.7145 2.7145 7.8899 7.8899 7.9824 7.9824 8.0942 8.0942 8.5463 8.5463 8.8403 8.8403 k =-0.2769 0.2339 0.3624 ( 4969 PWs) bands (ev): -22.1620 -22.1620 -22.1087 -22.1087 -19.3123 -19.3123 -19.2905 -19.2905 -15.0188 -15.0188 -15.0113 -15.0113 -7.0495 -7.0495 -6.8807 -6.8807 -6.2618 -6.2618 -6.1468 -6.1468 -5.9779 -5.9779 -5.8004 -5.8004 -3.6160 -3.6160 -3.5929 -3.5929 -3.3613 -3.3613 -3.2519 -3.2519 -2.5068 -2.5068 -2.4497 -2.4497 -1.3783 -1.3783 -1.1943 -1.1943 2.5074 2.5074 2.5296 2.5296 2.6716 2.6716 2.7149 2.7149 7.8865 7.8865 8.0297 8.0297 8.1361 8.1361 8.5687 8.5687 8.8181 8.8181 k =-0.2670 0.2255 0.3495 ( 4969 PWs) bands (ev): -22.1627 -22.1627 -22.1082 -22.1082 -19.3130 -19.3130 -19.2895 -19.2895 -15.0186 -15.0186 -15.0110 -15.0110 -7.0489 -7.0489 -6.8766 -6.8766 -6.2627 -6.2627 -6.1403 -6.1403 -5.9836 -5.9836 -5.8010 -5.8010 -3.6114 -3.6114 -3.5998 -3.5998 -3.3630 -3.3630 -3.2517 -3.2517 -2.5107 -2.5107 -2.4512 -2.4512 -1.3879 -1.3879 -1.2016 -1.2016 2.5253 2.5253 2.5404 2.5404 2.6575 2.6575 2.7153 2.7153 7.8844 7.8844 8.0762 8.0762 8.1783 8.1783 8.5887 8.5887 8.7895 8.7895 k =-0.2571 0.2172 0.3365 ( 4973 PWs) bands (ev): -22.1634 -22.1634 -22.1077 -22.1077 -19.3136 -19.3136 -19.2884 -19.2884 -15.0185 -15.0185 -15.0107 -15.0107 -7.0483 -7.0483 -6.8724 -6.8724 -6.2634 -6.2634 -6.1338 -6.1338 -5.9891 -5.9891 -5.8016 -5.8016 -3.6103 -3.6103 -3.6031 -3.6031 -3.3654 -3.3654 -3.2514 -3.2514 -2.5144 -2.5144 -2.4547 -2.4547 -1.3959 -1.3959 -1.2088 -1.2088 2.5246 2.5246 2.5701 2.5701 2.6446 2.6446 2.7156 2.7156 7.8836 7.8836 8.1218 8.1218 8.2204 8.2204 8.6061 8.6061 8.7551 8.7551 k =-0.2472 0.2088 0.3236 ( 4985 PWs) bands (ev): -22.1642 -22.1642 -22.1073 -22.1073 -19.3143 -19.3143 -19.2874 -19.2874 -15.0183 -15.0183 -15.0105 -15.0105 -7.0477 -7.0477 -6.8683 -6.8683 -6.2639 -6.2639 -6.1272 -6.1272 -5.9944 -5.9944 -5.8023 -5.8023 -3.6142 -3.6142 -3.6014 -3.6014 -3.3682 -3.3682 -3.2510 -3.2510 -2.5181 -2.5181 -2.4604 -2.4604 -1.4023 -1.4023 -1.2161 -1.2161 2.5246 2.5246 2.5993 2.5993 2.6330 2.6330 2.7158 2.7158 7.8842 7.8842 8.1661 8.1661 8.2624 8.2624 8.6208 8.6208 8.7160 8.7160 k =-0.2373 0.2005 0.3107 ( 4989 PWs) bands (ev): -22.1649 -22.1649 -22.1068 -22.1068 -19.3149 -19.3149 -19.2864 -19.2864 -15.0181 -15.0181 -15.0104 -15.0104 -7.0470 -7.0470 -6.8641 -6.8641 -6.2643 -6.2643 -6.1206 -6.1206 -5.9995 -5.9995 -5.8029 -5.8029 -3.6182 -3.6182 -3.5991 -3.5991 -3.3716 -3.3716 -3.2504 -3.2504 -2.5219 -2.5219 -2.4681 -2.4681 -1.4069 -1.4069 -1.2233 -1.2233 2.5258 2.5258 2.6224 2.6224 2.6276 2.6276 2.7159 2.7159 7.8862 7.8862 8.2087 8.2087 8.3038 8.3038 8.6321 8.6321 8.6737 8.6737 k =-0.2274 0.1921 0.2977 ( 4991 PWs) bands (ev): -22.1657 -22.1657 -22.1063 -22.1063 -19.3155 -19.3155 -19.2853 -19.2853 -15.0179 -15.0179 -15.0103 -15.0103 -7.0463 -7.0463 -6.8600 -6.8600 -6.2644 -6.2644 -6.1140 -6.1140 -6.0044 -6.0044 -5.8037 -5.8037 -3.6214 -3.6214 -3.5975 -3.5975 -3.3754 -3.3754 -3.2497 -3.2497 -2.5258 -2.5258 -2.4782 -2.4782 -1.4097 -1.4097 -1.2304 -1.2304 2.5284 2.5284 2.6135 2.6135 2.6542 2.6542 2.7160 2.7160 7.8895 7.8895 8.2495 8.2495 8.3448 8.3448 8.6225 8.6225 8.6470 8.6470 k =-0.2176 0.1838 0.2848 ( 4981 PWs) bands (ev): -22.1664 -22.1664 -22.1059 -22.1059 -19.3160 -19.3160 -19.2843 -19.2843 -15.0176 -15.0176 -15.0102 -15.0102 -7.0456 -7.0456 -6.8559 -6.8559 -6.2643 -6.2643 -6.1074 -6.1074 -6.0091 -6.0091 -5.8044 -5.8044 -3.6233 -3.6233 -3.5966 -3.5966 -3.3795 -3.3795 -3.2488 -3.2488 -2.5300 -2.5300 -2.4904 -2.4904 -1.4107 -1.4107 -1.2371 -1.2371 2.5321 2.5321 2.6058 2.6058 2.6792 2.6792 2.7163 2.7163 7.8939 7.8939 8.2881 8.2881 8.3849 8.3849 8.5774 8.5774 8.6520 8.6520 k =-0.2077 0.1754 0.2718 ( 4995 PWs) bands (ev): -22.1672 -22.1672 -22.1054 -22.1054 -19.3165 -19.3165 -19.2833 -19.2833 -15.0174 -15.0174 -15.0102 -15.0102 -7.0449 -7.0449 -6.8519 -6.8519 -6.2641 -6.2641 -6.1009 -6.1009 -6.0135 -6.0135 -5.8052 -5.8052 -3.6240 -3.6240 -3.5966 -3.5966 -3.3839 -3.3839 -3.2479 -3.2479 -2.5344 -2.5344 -2.5049 -2.5049 -1.4100 -1.4100 -1.2435 -1.2435 2.5370 2.5370 2.5992 2.5992 2.7011 2.7011 2.7180 2.7180 7.8990 7.8990 8.3242 8.3242 8.4239 8.4239 8.5302 8.5302 8.6566 8.6566 k =-0.1978 0.1670 0.2589 ( 4999 PWs) bands (ev): -22.1679 -22.1679 -22.1050 -22.1050 -19.3170 -19.3170 -19.2823 -19.2823 -15.0171 -15.0171 -15.0102 -15.0102 -7.0442 -7.0442 -6.8479 -6.8479 -6.2637 -6.2637 -6.0945 -6.0945 -6.0177 -6.0177 -5.8060 -5.8060 -3.6233 -3.6233 -3.5973 -3.5973 -3.3885 -3.3885 -3.2468 -3.2468 -2.5394 -2.5394 -2.5212 -2.5212 -1.4077 -1.4077 -1.2495 -1.2495 2.5430 2.5430 2.5939 2.5939 2.7111 2.7111 2.7300 2.7300 7.9044 7.9044 8.3577 8.3577 8.4604 8.4604 8.4854 8.4854 8.6592 8.6592 k =-0.1879 0.1587 0.2459 ( 4991 PWs) bands (ev): -22.1686 -22.1686 -22.1046 -22.1046 -19.3174 -19.3174 -19.2814 -19.2814 -15.0169 -15.0169 -15.0103 -15.0103 -7.0435 -7.0435 -6.8441 -6.8441 -6.2631 -6.2631 -6.0882 -6.0882 -6.0216 -6.0216 -5.8068 -5.8068 -3.6213 -3.6213 -3.5986 -3.5986 -3.3931 -3.3931 -3.2455 -3.2455 -2.5457 -2.5457 -2.5386 -2.5386 -1.4038 -1.4038 -1.2551 -1.2551 2.5499 2.5499 2.5898 2.5898 2.7122 2.7122 2.7494 2.7494 7.9094 7.9094 8.3884 8.3884 8.4382 8.4382 8.5004 8.5004 8.6601 8.6601 k =-0.1780 0.1503 0.2330 ( 4997 PWs) bands (ev): -22.1694 -22.1694 -22.1041 -22.1041 -19.3178 -19.3178 -19.2804 -19.2804 -15.0166 -15.0166 -15.0104 -15.0104 -7.0428 -7.0428 -6.8403 -6.8403 -6.2624 -6.2624 -6.0820 -6.0820 -6.0252 -6.0252 -5.8076 -5.8076 -3.6181 -3.6181 -3.6006 -3.6006 -3.3979 -3.3979 -3.2442 -3.2442 -2.5615 -2.5615 -2.5488 -2.5488 -1.3986 -1.3986 -1.2601 -1.2601 2.5576 2.5576 2.5868 2.5868 2.7120 2.7120 2.7683 2.7683 7.9131 7.9131 8.3988 8.3988 8.4162 8.4162 8.5354 8.5354 8.6594 8.6594 k =-0.1681 0.1420 0.2201 ( 4989 PWs) bands (ev): -22.1701 -22.1701 -22.1037 -22.1037 -19.3182 -19.3182 -19.2795 -19.2795 -15.0164 -15.0164 -15.0105 -15.0105 -7.0421 -7.0421 -6.8366 -6.8366 -6.2616 -6.2616 -6.0760 -6.0760 -6.0286 -6.0286 -5.8084 -5.8084 -3.6139 -3.6139 -3.6028 -3.6028 -3.4025 -3.4025 -3.2428 -3.2428 -2.5831 -2.5831 -2.5552 -2.5552 -1.3923 -1.3923 -1.2646 -1.2646 2.5657 2.5657 2.5853 2.5853 2.7115 2.7115 2.7858 2.7858 7.9142 7.9142 8.3648 8.3648 8.4410 8.4410 8.5693 8.5693 8.6575 8.6575 k =-0.1582 0.1336 0.2071 ( 4989 PWs) bands (ev): -22.1708 -22.1708 -22.1033 -22.1033 -19.3185 -19.3185 -19.2787 -19.2787 -15.0161 -15.0161 -15.0107 -15.0107 -7.0414 -7.0414 -6.8331 -6.8331 -6.2607 -6.2607 -6.0702 -6.0702 -6.0317 -6.0317 -5.8092 -5.8092 -3.6106 -3.6106 -3.6032 -3.6032 -3.4071 -3.4071 -3.2414 -3.2414 -2.6065 -2.6065 -2.5618 -2.5618 -1.3850 -1.3850 -1.2685 -1.2685 2.5730 2.5730 2.5861 2.5861 2.7108 2.7108 2.8019 2.8019 7.9114 7.9114 8.3385 8.3385 8.4628 8.4628 8.6013 8.6013 8.6546 8.6546 k =-0.1483 0.1253 0.1942 ( 4995 PWs) bands (ev): -22.1714 -22.1714 -22.1030 -22.1030 -19.3188 -19.3188 -19.2778 -19.2778 -15.0159 -15.0159 -15.0109 -15.0109 -7.0407 -7.0407 -6.8297 -6.8297 -6.2597 -6.2597 -6.0647 -6.0647 -6.0345 -6.0345 -5.8100 -5.8100 -3.6121 -3.6121 -3.5979 -3.5979 -3.4116 -3.4116 -3.2399 -3.2399 -2.6312 -2.6312 -2.5687 -2.5687 -1.3769 -1.3769 -1.2718 -1.2718 2.5772 2.5772 2.5912 2.5912 2.7100 2.7100 2.8164 2.8164 7.9035 7.9035 8.3211 8.3211 8.4816 8.4816 8.6305 8.6305 8.6520 8.6520 k =-0.1384 0.1169 0.1812 ( 4993 PWs) bands (ev): -22.1721 -22.1721 -22.1026 -22.1026 -19.3190 -19.3190 -19.2770 -19.2770 -15.0156 -15.0156 -15.0111 -15.0111 -7.0401 -7.0401 -6.8265 -6.8265 -6.2586 -6.2586 -6.0593 -6.0593 -6.0371 -6.0371 -5.8107 -5.8107 -3.6157 -3.6157 -3.5897 -3.5897 -3.4158 -3.4158 -3.2384 -3.2384 -2.6568 -2.6568 -2.5759 -2.5759 -1.3682 -1.3682 -1.2746 -1.2746 2.5789 2.5789 2.5999 2.5999 2.7093 2.7093 2.8294 2.8294 7.8902 7.8902 8.3136 8.3136 8.4977 8.4977 8.6423 8.6423 8.6643 8.6643 k =-0.1286 0.1086 0.1683 ( 4985 PWs) bands (ev): -22.1727 -22.1727 -22.1023 -22.1023 -19.3192 -19.3192 -19.2763 -19.2763 -15.0154 -15.0154 -15.0113 -15.0113 -7.0395 -7.0395 -6.8235 -6.8235 -6.2576 -6.2576 -6.0543 -6.0543 -6.0394 -6.0394 -5.8115 -5.8115 -3.6199 -3.6199 -3.5799 -3.5799 -3.4197 -3.4197 -3.2368 -3.2368 -2.6832 -2.6832 -2.5834 -2.5834 -1.3592 -1.3592 -1.2769 -1.2769 2.5802 2.5802 2.6098 2.6098 2.7085 2.7085 2.8410 2.8410 7.8719 7.8719 8.3155 8.3155 8.5110 8.5110 8.6386 8.6386 8.6900 8.6900 k =-0.1187 0.1002 0.1553 ( 4985 PWs) bands (ev): -22.1733 -22.1733 -22.1019 -22.1019 -19.3194 -19.3194 -19.2755 -19.2755 -15.0151 -15.0151 -15.0116 -15.0116 -7.0389 -7.0389 -6.8206 -6.8206 -6.2565 -6.2565 -6.0495 -6.0495 -6.0414 -6.0414 -5.8122 -5.8122 -3.6243 -3.6243 -3.5690 -3.5690 -3.4233 -3.4233 -3.2353 -3.2353 -2.7101 -2.7101 -2.5910 -2.5910 -1.3500 -1.3500 -1.2786 -1.2786 2.5815 2.5815 2.6200 2.6200 2.7077 2.7077 2.8512 2.8512 7.8496 7.8496 8.3257 8.3257 8.5219 8.5219 8.6336 8.6336 8.7148 8.7148 k =-0.1088 0.0919 0.1424 ( 4983 PWs) bands (ev): -22.1738 -22.1738 -22.1016 -22.1016 -19.3196 -19.3196 -19.2749 -19.2749 -15.0149 -15.0149 -15.0118 -15.0118 -7.0384 -7.0384 -6.8179 -6.8179 -6.2554 -6.2554 -6.0452 -6.0452 -6.0432 -6.0432 -5.8129 -5.8129 -3.6289 -3.6289 -3.5571 -3.5571 -3.4266 -3.4266 -3.2338 -3.2338 -2.7371 -2.7371 -2.5987 -2.5987 -1.3409 -1.3409 -1.2799 -1.2799 2.5831 2.5831 2.6302 2.6302 2.7070 2.7070 2.8602 2.8602 7.8250 7.8250 8.3427 8.3427 8.5306 8.5306 8.6284 8.6284 8.7379 8.7379 k =-0.0989 0.0835 0.1294 ( 4989 PWs) bands (ev): -22.1743 -22.1743 -22.1014 -22.1014 -19.3198 -19.3198 -19.2743 -19.2743 -15.0147 -15.0147 -15.0121 -15.0121 -7.0379 -7.0379 -6.8154 -6.8154 -6.2544 -6.2544 -6.0449 -6.0449 -6.0409 -6.0409 -5.8135 -5.8135 -3.6334 -3.6334 -3.5444 -3.5444 -3.4296 -3.4296 -3.2324 -3.2324 -2.7641 -2.7641 -2.6064 -2.6064 -1.3319 -1.3319 -1.2808 -1.2808 2.5849 2.5849 2.6402 2.6402 2.7064 2.7064 2.8679 2.8679 7.7995 7.7995 8.3649 8.3649 8.5372 8.5372 8.6232 8.6232 8.7592 8.7592 k =-0.0890 0.0752 0.1165 ( 4989 PWs) bands (ev): -22.1748 -22.1748 -22.1011 -22.1011 -19.3199 -19.3199 -19.2737 -19.2737 -15.0145 -15.0145 -15.0123 -15.0123 -7.0374 -7.0374 -6.8132 -6.8132 -6.2534 -6.2534 -6.0463 -6.0463 -6.0371 -6.0371 -5.8141 -5.8141 -3.6379 -3.6379 -3.5311 -3.5311 -3.4322 -3.4322 -3.2310 -3.2310 -2.7907 -2.7907 -2.6139 -2.6139 -1.3233 -1.3233 -1.2813 -1.2813 2.5868 2.5868 2.6497 2.6497 2.7058 2.7058 2.8746 2.8746 7.7741 7.7741 8.3910 8.3910 8.5422 8.5422 8.6183 8.6183 8.7784 8.7784 k =-0.0791 0.0668 0.1036 ( 4993 PWs) bands (ev): -22.1753 -22.1753 -22.1009 -22.1009 -19.3200 -19.3200 -19.2732 -19.2732 -15.0143 -15.0143 -15.0126 -15.0126 -7.0370 -7.0370 -6.8111 -6.8111 -6.2525 -6.2525 -6.0475 -6.0475 -6.0337 -6.0337 -5.8147 -5.8147 -3.6420 -3.6420 -3.5176 -3.5176 -3.4345 -3.4345 -3.2297 -3.2297 -2.8164 -2.8164 -2.6210 -2.6210 -1.3152 -1.3152 -1.2815 -1.2815 2.5887 2.5887 2.6585 2.6585 2.7056 2.7056 2.8801 2.8801 7.7499 7.7499 8.4196 8.4196 8.5457 8.5457 8.6136 8.6136 8.7956 8.7956 k =-0.0692 0.0585 0.0906 ( 4993 PWs) bands (ev): -22.1756 -22.1756 -22.1007 -22.1007 -19.3201 -19.3201 -19.2728 -19.2728 -15.0141 -15.0141 -15.0128 -15.0128 -7.0366 -7.0366 -6.8093 -6.8093 -6.2516 -6.2516 -6.0485 -6.0485 -6.0307 -6.0307 -5.8152 -5.8152 -3.6460 -3.6460 -3.5042 -3.5042 -3.4363 -3.4363 -3.2285 -3.2285 -2.8410 -2.8410 -2.6277 -2.6277 -1.3077 -1.3077 -1.2815 -1.2815 2.5907 2.5907 2.6664 2.6664 2.7055 2.7055 2.8848 2.8848 7.7274 7.7274 8.4496 8.4496 8.5481 8.5481 8.6095 8.6095 8.8109 8.8109 k =-0.0593 0.0501 0.0777 ( 4985 PWs) bands (ev): -22.1760 -22.1760 -22.1005 -22.1005 -19.3201 -19.3201 -19.2723 -19.2723 -15.0140 -15.0140 -15.0130 -15.0130 -7.0363 -7.0363 -6.8077 -6.8077 -6.2508 -6.2508 -6.0494 -6.0494 -6.0280 -6.0280 -5.8156 -5.8156 -3.6495 -3.6495 -3.4912 -3.4912 -3.4376 -3.4376 -3.2274 -3.2274 -2.8639 -2.8639 -2.6339 -2.6339 -1.3011 -1.3011 -1.2813 -1.2813 2.5925 2.5925 2.6733 2.6733 2.7058 2.7058 2.8887 2.8887 7.7072 7.7072 8.4797 8.4797 8.5496 8.5496 8.6059 8.6059 8.8242 8.8242 k =-0.0494 0.0418 0.0647 ( 4981 PWs) bands (ev): -22.1763 -22.1763 -22.1003 -22.1003 -19.3202 -19.3202 -19.2720 -19.2720 -15.0138 -15.0138 -15.0131 -15.0131 -7.0360 -7.0360 -6.8064 -6.8064 -6.2502 -6.2502 -6.0500 -6.0500 -6.0257 -6.0257 -5.8160 -5.8160 -3.6527 -3.6527 -3.4792 -3.4792 -3.4385 -3.4385 -3.2264 -3.2264 -2.8848 -2.8848 -2.6393 -2.6393 -1.2953 -1.2953 -1.2809 -1.2809 2.5942 2.5942 2.6789 2.6789 2.7065 2.7065 2.8918 2.8918 7.6896 7.6896 8.5087 8.5087 8.5505 8.5505 8.6029 8.6029 8.8355 8.8355 k =-0.0396 0.0334 0.0518 ( 4989 PWs) bands (ev): -22.1765 -22.1765 -22.1002 -22.1002 -19.3202 -19.3202 -19.2717 -19.2717 -15.0137 -15.0137 -15.0133 -15.0133 -7.0358 -7.0358 -6.8053 -6.8053 -6.2496 -6.2496 -6.0506 -6.0506 -6.0239 -6.0239 -5.8163 -5.8163 -3.6554 -3.6554 -3.4688 -3.4688 -3.4387 -3.4387 -3.2256 -3.2256 -2.9029 -2.9029 -2.6439 -2.6439 -1.2907 -1.2907 -1.2804 -1.2804 2.5956 2.5956 2.6830 2.6830 2.7075 2.7075 2.8943 2.8943 7.6749 7.6749 8.5348 8.5348 8.5512 8.5512 8.6008 8.6008 8.8446 8.8446 k =-0.0297 0.0251 0.0388 ( 4991 PWs) bands (ev): -22.1767 -22.1767 -22.1001 -22.1001 -19.3202 -19.3202 -19.2715 -19.2715 -15.0137 -15.0137 -15.0134 -15.0134 -7.0356 -7.0356 -6.8044 -6.8044 -6.2492 -6.2492 -6.0510 -6.0510 -6.0224 -6.0224 -5.8165 -5.8165 -3.6576 -3.6576 -3.4607 -3.4607 -3.4380 -3.4380 -3.2249 -3.2249 -2.9179 -2.9179 -2.6476 -2.6476 -1.2872 -1.2872 -1.2797 -1.2797 2.5968 2.5968 2.6859 2.6859 2.7088 2.7088 2.8961 2.8961 7.6634 7.6634 8.5493 8.5493 8.5590 8.5590 8.5997 8.5997 8.8518 8.8518 k =-0.0198 0.0167 0.0259 ( 4975 PWs) bands (ev): -22.1768 -22.1768 -22.1000 -22.1000 -19.3203 -19.3203 -19.2714 -19.2714 -15.0136 -15.0136 -15.0134 -15.0134 -7.0355 -7.0355 -6.8038 -6.8038 -6.2489 -6.2489 -6.0513 -6.0513 -6.0213 -6.0213 -5.8167 -5.8167 -3.6591 -3.6591 -3.4556 -3.4556 -3.4363 -3.4363 -3.2244 -3.2244 -2.9291 -2.9291 -2.6503 -2.6503 -1.2850 -1.2850 -1.2788 -1.2788 2.5977 2.5977 2.6877 2.6877 2.7100 2.7100 2.8974 2.8974 7.6550 7.6550 8.5500 8.5500 8.5742 8.5742 8.6005 8.6005 8.8570 8.8570 k =-0.0099 0.0084 0.0129 ( 4991 PWs) bands (ev): -22.1769 -22.1769 -22.1000 -22.1000 -19.3203 -19.3203 -19.2713 -19.2713 -15.0136 -15.0136 -15.0135 -15.0135 -7.0354 -7.0354 -6.8034 -6.8034 -6.2487 -6.2487 -6.0514 -6.0514 -6.0207 -6.0207 -5.8168 -5.8168 -3.6601 -3.6601 -3.4531 -3.4531 -3.4346 -3.4346 -3.2241 -3.2241 -2.9360 -2.9360 -2.6519 -2.6519 -1.2840 -1.2840 -1.2781 -1.2781 2.5982 2.5982 2.6887 2.6887 2.7109 2.7109 2.8981 2.8981 7.6499 7.6499 8.5500 8.5500 8.5821 8.5821 8.6030 8.6030 8.8601 8.8601 k = 0.0000 0.0000 0.0000 ( 4991 PWs) bands (ev): -22.1769 -22.1769 -22.1000 -22.1000 -19.3203 -19.3203 -19.2712 -19.2712 -15.0136 -15.0136 -15.0135 -15.0135 -7.0354 -7.0354 -6.8033 -6.8033 -6.2486 -6.2486 -6.0515 -6.0515 -6.0205 -6.0205 -5.8168 -5.8168 -3.6604 -3.6604 -3.4524 -3.4524 -3.4338 -3.4338 -3.2240 -3.2240 -2.9384 -2.9384 -2.6525 -2.6525 -1.2837 -1.2837 -1.2777 -1.2777 2.5984 2.5984 2.6890 2.6890 2.7112 2.7112 2.8984 2.8984 7.6482 7.6482 8.5500 8.5500 8.5841 8.5841 8.6047 8.6047 8.8611 8.8611 k = 0.0000 0.0000 0.0000 ( 4991 PWs) bands (ev): -22.1769 -22.1769 -22.1000 -22.1000 -19.3203 -19.3203 -19.2712 -19.2712 -15.0136 -15.0136 -15.0135 -15.0135 -7.0354 -7.0354 -6.8033 -6.8033 -6.2486 -6.2486 -6.0515 -6.0515 -6.0205 -6.0205 -5.8168 -5.8168 -3.6604 -3.6604 -3.4524 -3.4524 -3.4338 -3.4338 -3.2240 -3.2240 -2.9384 -2.9384 -2.6525 -2.6525 -1.2837 -1.2837 -1.2777 -1.2777 2.5984 2.5984 2.6890 2.6890 2.7112 2.7112 2.8984 2.8984 7.6482 7.6482 8.5500 8.5500 8.5841 8.5841 8.6047 8.6047 8.8611 8.8611 k = 0.0119 0.0141-0.0000 ( 4983 PWs) bands (ev): -22.1769 -22.1769 -22.1001 -22.1001 -19.3203 -19.3203 -19.2713 -19.2713 -15.0136 -15.0136 -15.0135 -15.0135 -7.0350 -7.0350 -6.8034 -6.8034 -6.2483 -6.2483 -6.0521 -6.0521 -6.0200 -6.0200 -5.8178 -5.8178 -3.6598 -3.6598 -3.4524 -3.4524 -3.4337 -3.4337 -3.2255 -3.2255 -2.9368 -2.9368 -2.6523 -2.6523 -1.2834 -1.2834 -1.2775 -1.2775 2.5977 2.5977 2.6889 2.6889 2.7112 2.7112 2.8985 2.8985 7.6479 7.6479 8.5470 8.5470 8.5835 8.5835 8.6040 8.6040 8.8631 8.8631 k = 0.0238 0.0282-0.0000 ( 4979 PWs) bands (ev): -22.1766 -22.1766 -22.1003 -22.1003 -19.3202 -19.3202 -19.2714 -19.2714 -15.0136 -15.0136 -15.0135 -15.0135 -7.0340 -7.0340 -6.8037 -6.8037 -6.2474 -6.2474 -6.0536 -6.0536 -6.0188 -6.0188 -5.8207 -5.8207 -3.6583 -3.6583 -3.4521 -3.4521 -3.4334 -3.4334 -3.2299 -3.2299 -2.9321 -2.9321 -2.6520 -2.6520 -1.2828 -1.2828 -1.2768 -1.2768 2.5956 2.5956 2.6889 2.6889 2.7111 2.7111 2.8990 2.8990 7.6467 7.6467 8.5379 8.5379 8.5815 8.5815 8.6019 8.6019 8.8689 8.8689 k = 0.0357 0.0423-0.0000 ( 4987 PWs) bands (ev): -22.1762 -22.1762 -22.1007 -22.1007 -19.3201 -19.3201 -19.2716 -19.2716 -15.0137 -15.0137 -15.0135 -15.0135 -7.0323 -7.0323 -6.8043 -6.8043 -6.2458 -6.2458 -6.0560 -6.0560 -6.0169 -6.0169 -5.8255 -5.8255 -3.6557 -3.6557 -3.4518 -3.4518 -3.4329 -3.4329 -3.2370 -3.2370 -2.9246 -2.9246 -2.6514 -2.6514 -1.2819 -1.2819 -1.2756 -1.2756 2.5920 2.5920 2.6886 2.6886 2.7109 2.7109 2.8997 2.8997 7.6448 7.6448 8.5228 8.5228 8.5782 8.5782 8.5984 8.5984 8.8789 8.8789 k = 0.0476 0.0564-0.0000 ( 4987 PWs) bands (ev): -22.1756 -22.1756 -22.1012 -22.1012 -19.3199 -19.3199 -19.2719 -19.2719 -15.0138 -15.0138 -15.0136 -15.0136 -7.0300 -7.0300 -6.8051 -6.8051 -6.2435 -6.2435 -6.0592 -6.0592 -6.0144 -6.0144 -5.8322 -5.8322 -3.6519 -3.6519 -3.4513 -3.4513 -3.4322 -3.4322 -3.2464 -3.2464 -2.9145 -2.9145 -2.6506 -2.6506 -1.2805 -1.2805 -1.2740 -1.2740 2.5871 2.5871 2.6883 2.6883 2.7107 2.7107 2.9008 2.9008 7.6421 7.6421 8.5025 8.5025 8.5736 8.5736 8.5935 8.5935 8.8928 8.8928 k = 0.0595 0.0705-0.0000 ( 4987 PWs) bands (ev): -22.1748 -22.1748 -22.1018 -22.1018 -19.3197 -19.3197 -19.2722 -19.2722 -15.0138 -15.0138 -15.0137 -15.0137 -7.0271 -7.0271 -6.8062 -6.8062 -6.2406 -6.2406 -6.0628 -6.0628 -6.0116 -6.0116 -5.8405 -5.8405 -3.6470 -3.6470 -3.4507 -3.4507 -3.4313 -3.4313 -3.2578 -3.2578 -2.9024 -2.9024 -2.6495 -2.6495 -1.2787 -1.2787 -1.2720 -1.2720 2.5807 2.5807 2.6880 2.6880 2.7104 2.7104 2.9021 2.9021 7.6387 7.6387 8.4775 8.4775 8.5677 8.5677 8.5873 8.5873 8.9107 8.9107 k = 0.0714 0.0846-0.0000 ( 5007 PWs) bands (ev): -22.1739 -22.1739 -22.1026 -22.1026 -19.3195 -19.3195 -19.2727 -19.2727 -15.0140 -15.0140 -15.0138 -15.0138 -7.0236 -7.0236 -6.8075 -6.8075 -6.2370 -6.2370 -6.0669 -6.0669 -6.0086 -6.0086 -5.8506 -5.8506 -3.6411 -3.6411 -3.4499 -3.4499 -3.4303 -3.4303 -3.2708 -3.2708 -2.8886 -2.8886 -2.6482 -2.6482 -1.2767 -1.2767 -1.2696 -1.2696 2.5728 2.5728 2.6877 2.6877 2.7100 2.7100 2.9036 2.9036 7.6344 7.6344 8.4486 8.4486 8.5605 8.5605 8.5798 8.5798 8.9325 8.9325 k = 0.0833 0.0987-0.0000 ( 4999 PWs) bands (ev): -22.1728 -22.1728 -22.1036 -22.1036 -19.3192 -19.3192 -19.2732 -19.2732 -15.0141 -15.0141 -15.0139 -15.0139 -7.0196 -7.0196 -6.8092 -6.8092 -6.2326 -6.2326 -6.0715 -6.0715 -6.0053 -6.0053 -5.8621 -5.8621 -3.6341 -3.6341 -3.4491 -3.4491 -3.4290 -3.4290 -3.2852 -3.2852 -2.8733 -2.8733 -2.6467 -2.6467 -1.2742 -1.2742 -1.2666 -1.2666 2.5635 2.5635 2.6874 2.6874 2.7096 2.7096 2.9055 2.9055 7.6294 7.6294 8.4164 8.4164 8.5520 8.5520 8.5711 8.5711 8.9584 8.9584 k = 0.0952 0.1128-0.0000 ( 4991 PWs) bands (ev): -22.1716 -22.1716 -22.1047 -22.1047 -19.3189 -19.3189 -19.2737 -19.2737 -15.0142 -15.0142 -15.0140 -15.0140 -7.0153 -7.0153 -6.8111 -6.8111 -6.2274 -6.2274 -6.0763 -6.0763 -6.0017 -6.0017 -5.8750 -5.8750 -3.6262 -3.6262 -3.4481 -3.4481 -3.4276 -3.4276 -3.3006 -3.3006 -2.8569 -2.8569 -2.6450 -2.6450 -1.2714 -1.2714 -1.2633 -1.2633 2.5530 2.5530 2.6872 2.6872 2.7092 2.7092 2.9076 2.9076 7.6235 7.6235 8.3816 8.3816 8.5423 8.5423 8.5610 8.5610 8.9881 8.9881 k = 0.1071 0.1269-0.0000 ( 4999 PWs) bands (ev): -22.1703 -22.1703 -22.1058 -22.1058 -19.3186 -19.3186 -19.2744 -19.2744 -15.0144 -15.0144 -15.0142 -15.0142 -7.0106 -7.0106 -6.8134 -6.8134 -6.2214 -6.2214 -6.0816 -6.0816 -5.9980 -5.9980 -5.8891 -5.8891 -3.6173 -3.6173 -3.4471 -3.4471 -3.4262 -3.4262 -3.3170 -3.3170 -2.8396 -2.8396 -2.6431 -2.6431 -1.2682 -1.2682 -1.2596 -1.2596 2.5409 2.5409 2.6869 2.6869 2.7087 2.7087 2.9100 2.9100 7.6168 7.6168 8.3449 8.3449 8.5314 8.5314 8.5497 8.5497 9.0216 9.0216 k = 0.1190 0.1409-0.0000 ( 5007 PWs) bands (ev): -22.1688 -22.1688 -22.1072 -22.1072 -19.3182 -19.3182 -19.2751 -19.2751 -15.0145 -15.0145 -15.0143 -15.0143 -7.0056 -7.0056 -6.8161 -6.8161 -6.2146 -6.2146 -6.0871 -6.0871 -5.9942 -5.9942 -5.9042 -5.9042 -3.6076 -3.6076 -3.4460 -3.4460 -3.4246 -3.4246 -3.3341 -3.3341 -2.8216 -2.8216 -2.6410 -2.6410 -1.2648 -1.2648 -1.2556 -1.2556 2.5276 2.5276 2.6866 2.6866 2.7082 2.7082 2.9126 2.9126 7.6094 7.6094 8.3066 8.3066 8.5193 8.5193 8.5373 8.5373 9.0589 9.0589 k = 0.1310 0.1550-0.0000 ( 5011 PWs) bands (ev): -22.1671 -22.1671 -22.1086 -22.1086 -19.3178 -19.3178 -19.2758 -19.2758 -15.0147 -15.0147 -15.0145 -15.0145 -7.0005 -7.0005 -6.8192 -6.8192 -6.2069 -6.2069 -6.0928 -6.0928 -5.9901 -5.9901 -5.9201 -5.9201 -3.5970 -3.5970 -3.4449 -3.4449 -3.4229 -3.4229 -3.3517 -3.3517 -2.8030 -2.8030 -2.6388 -2.6388 -1.2610 -1.2610 -1.2511 -1.2511 2.5131 2.5131 2.6864 2.6864 2.7076 2.7076 2.9154 2.9154 7.6012 7.6012 8.2674 8.2674 8.5061 8.5061 8.5237 8.5237 9.1001 9.1001 k = 0.1429 0.1691-0.0000 ( 5023 PWs) bands (ev): -22.1654 -22.1654 -22.1101 -22.1101 -19.3173 -19.3173 -19.2767 -19.2767 -15.0149 -15.0149 -15.0147 -15.0147 -6.9953 -6.9953 -6.8228 -6.8228 -6.1982 -6.1982 -6.0988 -6.0988 -5.9859 -5.9859 -5.9368 -5.9368 -3.5856 -3.5856 -3.4439 -3.4439 -3.4212 -3.4212 -3.3696 -3.3696 -2.7841 -2.7841 -2.6364 -2.6364 -1.2570 -1.2570 -1.2464 -1.2464 2.4973 2.4973 2.6863 2.6863 2.7070 2.7070 2.9184 2.9184 7.5922 7.5922 8.2277 8.2277 8.4918 8.4918 8.5090 8.5090 9.1446 9.1446 k = 0.1548 0.1832-0.0000 ( 5015 PWs) bands (ev): -22.1636 -22.1636 -22.1117 -22.1117 -19.3169 -19.3169 -19.2775 -19.2775 -15.0151 -15.0151 -15.0149 -15.0149 -6.9901 -6.9901 -6.8269 -6.8269 -6.1887 -6.1887 -6.1051 -6.1051 -5.9816 -5.9816 -5.9538 -5.9538 -3.5735 -3.5735 -3.4430 -3.4430 -3.4193 -3.4193 -3.3878 -3.3878 -2.7649 -2.7649 -2.6338 -2.6338 -1.2527 -1.2527 -1.2413 -1.2413 2.4804 2.4804 2.6862 2.6862 2.7065 2.7065 2.9218 2.9218 7.5826 7.5826 8.1877 8.1877 8.4765 8.4765 8.4933 8.4933 9.1928 9.1928 k = 0.1667 0.1973-0.0000 ( 5015 PWs) bands (ev): -22.1616 -22.1616 -22.1134 -22.1134 -19.3164 -19.3164 -19.2784 -19.2784 -15.0153 -15.0153 -15.0151 -15.0151 -6.9850 -6.9850 -6.8315 -6.8315 -6.1781 -6.1781 -6.1115 -6.1115 -5.9771 -5.9771 -5.9712 -5.9712 -3.5607 -3.5607 -3.4427 -3.4427 -3.4175 -3.4175 -3.4056 -3.4056 -2.7455 -2.7455 -2.6311 -2.6311 -1.2482 -1.2482 -1.2360 -1.2360 2.4624 2.4624 2.6862 2.6862 2.7059 2.7059 2.9252 2.9252 7.5723 7.5723 8.1478 8.1478 8.4602 8.4602 8.4766 8.4766 9.2442 9.2442 k = 0.1786 0.2114-0.0000 ( 4991 PWs) bands (ev): -22.1596 -22.1596 -22.1152 -22.1152 -19.3159 -19.3159 -19.2793 -19.2793 -15.0155 -15.0155 -15.0153 -15.0153 -6.9800 -6.9800 -6.8366 -6.8366 -6.1666 -6.1666 -6.1181 -6.1181 -5.9886 -5.9886 -5.9724 -5.9724 -3.5472 -3.5472 -3.4445 -3.4445 -3.4216 -3.4216 -3.4156 -3.4156 -2.7261 -2.7261 -2.6282 -2.6282 -1.2435 -1.2435 -1.2304 -1.2304 2.4436 2.4436 2.6863 2.6863 2.7054 2.7054 2.9288 2.9288 7.5614 7.5614 8.1084 8.1084 8.4432 8.4432 8.4590 8.4590 9.2989 9.2989 k = 0.1905 0.2255-0.0000 ( 4999 PWs) bands (ev): -22.1575 -22.1575 -22.1170 -22.1170 -19.3153 -19.3153 -19.2803 -19.2803 -15.0157 -15.0157 -15.0155 -15.0155 -6.9753 -6.9753 -6.8423 -6.8423 -6.1542 -6.1542 -6.1248 -6.1248 -6.0058 -6.0058 -5.9677 -5.9677 -3.5332 -3.5332 -3.4534 -3.4534 -3.4305 -3.4305 -3.4138 -3.4138 -2.7068 -2.7068 -2.6253 -2.6253 -1.2386 -1.2386 -1.2246 -1.2246 2.4237 2.4237 2.6863 2.6863 2.7049 2.7049 2.9325 2.9325 7.5500 7.5500 8.0695 8.0695 8.4252 8.4252 8.4406 8.4406 9.3566 9.3566 k = 0.2024 0.2396-0.0000 ( 4999 PWs) bands (ev): -22.1553 -22.1553 -22.1189 -22.1189 -19.3148 -19.3148 -19.2813 -19.2813 -15.0159 -15.0159 -15.0157 -15.0157 -6.9708 -6.9708 -6.8486 -6.8486 -6.1410 -6.1410 -6.1316 -6.1316 -6.0227 -6.0227 -5.9629 -5.9629 -3.5187 -3.5187 -3.4696 -3.4696 -3.4323 -3.4323 -3.4120 -3.4120 -2.6875 -2.6875 -2.6223 -2.6223 -1.2335 -1.2335 -1.2187 -1.2187 2.4030 2.4030 2.6865 2.6865 2.7043 2.7043 2.9364 2.9364 7.5381 7.5381 8.0313 8.0313 8.4066 8.4066 8.4215 8.4215 9.4172 9.4172 k = 0.2143 0.2537-0.0000 ( 4987 PWs) bands (ev): -22.1531 -22.1531 -22.1208 -22.1208 -19.3142 -19.3142 -19.2823 -19.2823 -15.0161 -15.0161 -15.0159 -15.0159 -6.9667 -6.9667 -6.8555 -6.8555 -6.1385 -6.1385 -6.1270 -6.1270 -6.0390 -6.0390 -5.9580 -5.9580 -3.5038 -3.5038 -3.4878 -3.4878 -3.4319 -3.4319 -3.4101 -3.4101 -2.6685 -2.6685 -2.6192 -2.6192 -1.2284 -1.2284 -1.2126 -1.2126 2.3817 2.3817 2.6867 2.6867 2.7039 2.7039 2.9403 2.9403 7.5258 7.5258 7.9941 7.9941 8.3875 8.3875 8.4019 8.4019 9.4805 9.4805 k = 0.2262 0.2678-0.0000 ( 4987 PWs) bands (ev): -22.1508 -22.1508 -22.1228 -22.1228 -19.3136 -19.3136 -19.2834 -19.2834 -15.0164 -15.0164 -15.0162 -15.0162 -6.9629 -6.9629 -6.8630 -6.8630 -6.1454 -6.1454 -6.1128 -6.1128 -6.0542 -6.0542 -5.9530 -5.9530 -3.5066 -3.5066 -3.4886 -3.4886 -3.4311 -3.4311 -3.4084 -3.4084 -2.6498 -2.6498 -2.6160 -2.6160 -1.2231 -1.2231 -1.2063 -1.2063 2.3597 2.3597 2.6869 2.6869 2.7034 2.7034 2.9444 2.9444 7.5133 7.5133 7.9579 7.9579 8.3679 8.3679 8.3817 8.3817 9.5464 9.5464 k = 0.2381 0.2819-0.0000 ( 4987 PWs) bands (ev): -22.1485 -22.1485 -22.1248 -22.1248 -19.3131 -19.3131 -19.2844 -19.2844 -15.0166 -15.0166 -15.0164 -15.0164 -6.9596 -6.9596 -6.8710 -6.8710 -6.1523 -6.1523 -6.0999 -6.0999 -6.0665 -6.0665 -5.9480 -5.9480 -3.5254 -3.5254 -3.4732 -3.4732 -3.4300 -3.4300 -3.4067 -3.4067 -2.6314 -2.6314 -2.6128 -2.6128 -1.2178 -1.2178 -1.2000 -1.2000 2.3372 2.3372 2.6872 2.6872 2.7029 2.7029 2.9484 2.9484 7.5004 7.5004 7.9230 7.9230 8.3479 8.3479 8.3612 8.3612 9.6145 9.6145 k = 0.2500 0.2960-0.0000 ( 4975 PWs) bands (ev): -22.1462 -22.1462 -22.1268 -22.1268 -19.3125 -19.3125 -19.2855 -19.2855 -15.0169 -15.0169 -15.0166 -15.0166 -6.9568 -6.9568 -6.8795 -6.8795 -6.1592 -6.1592 -6.0965 -6.0965 -6.0680 -6.0680 -5.9430 -5.9430 -3.5441 -3.5441 -3.4577 -3.4577 -3.4289 -3.4289 -3.4050 -3.4050 -2.6134 -2.6134 -2.6096 -2.6096 -1.2124 -1.2124 -1.1936 -1.1936 2.3143 2.3143 2.6875 2.6875 2.7025 2.7025 2.9525 2.9525 7.4875 7.4875 7.8894 7.8894 8.3278 8.3278 8.3405 8.3405 9.6259 9.6259 k = 0.2619 0.3101-0.0000 ( 4983 PWs) bands (ev): -22.1438 -22.1438 -22.1287 -22.1287 -19.3119 -19.3119 -19.2866 -19.2866 -15.0171 -15.0171 -15.0168 -15.0168 -6.9544 -6.9544 -6.8885 -6.8885 -6.1660 -6.1660 -6.1055 -6.1055 -6.0555 -6.0555 -5.9380 -5.9380 -3.5626 -3.5626 -3.4422 -3.4422 -3.4278 -3.4278 -3.4034 -3.4034 -2.6064 -2.6064 -2.5960 -2.5960 -1.2070 -1.2070 -1.1873 -1.1873 2.2911 2.2911 2.6878 2.6878 2.7021 2.7021 2.9566 2.9566 7.4744 7.4744 7.8572 7.8572 8.3075 8.3075 8.3196 8.3196 9.5392 9.5392 k = 0.2738 0.3242-0.0000 ( 4959 PWs) bands (ev): -22.1415 -22.1415 -22.1307 -22.1307 -19.3113 -19.3113 -19.2876 -19.2876 -15.0173 -15.0173 -15.0171 -15.0171 -6.9526 -6.9526 -6.8977 -6.8977 -6.1727 -6.1727 -6.1172 -6.1172 -6.0390 -6.0390 -5.9331 -5.9331 -3.5807 -3.5807 -3.4269 -3.4269 -3.4267 -3.4267 -3.4015 -3.4015 -2.6032 -2.6032 -2.5790 -2.5790 -1.2016 -1.2016 -1.1809 -1.1809 2.2679 2.2679 2.6884 2.6884 2.7018 2.7018 2.9607 2.9607 7.4616 7.4616 7.8266 7.8266 8.2872 8.2872 8.2988 8.2988 9.4545 9.4545 k = 0.2857 0.3383-0.0000 ( 4947 PWs) bands (ev): -22.1393 -22.1393 -22.1327 -22.1327 -19.3108 -19.3108 -19.2887 -19.2887 -15.0175 -15.0175 -15.0173 -15.0173 -6.9516 -6.9516 -6.9070 -6.9070 -6.1793 -6.1793 -6.1287 -6.1287 -6.0213 -6.0213 -5.9281 -5.9281 -3.5983 -3.5983 -3.4257 -3.4257 -3.4128 -3.4128 -3.3987 -3.3987 -2.6001 -2.6001 -2.5626 -2.5626 -1.1963 -1.1963 -1.1746 -1.1746 2.2446 2.2446 2.6888 2.6888 2.7015 2.7015 2.9648 2.9648 7.4487 7.4487 7.7974 7.7974 8.2671 8.2671 8.2781 8.2781 9.3723 9.3723 k = 0.2976 0.3524-0.0000 ( 4943 PWs) bands (ev): -22.1370 -22.1370 -22.1346 -22.1346 -19.3102 -19.3102 -19.2897 -19.2897 -15.0178 -15.0178 -15.0175 -15.0175 -6.9515 -6.9515 -6.9160 -6.9160 -6.1857 -6.1857 -6.1396 -6.1396 -6.0030 -6.0030 -5.9233 -5.9233 -3.6156 -3.6156 -3.4247 -3.4247 -3.4039 -3.4039 -3.3910 -3.3910 -2.5970 -2.5970 -2.5469 -2.5469 -1.1911 -1.1911 -1.1684 -1.1684 2.2214 2.2214 2.6893 2.6893 2.7013 2.7013 2.9688 2.9688 7.4360 7.4360 7.7699 7.7699 8.2472 8.2472 8.2576 8.2576 9.2926 9.2926 k = 0.3095 0.3665-0.0000 ( 4943 PWs) bands (ev): -22.1365 -22.1365 -22.1348 -22.1348 -19.3097 -19.3097 -19.2907 -19.2907 -15.0180 -15.0180 -15.0177 -15.0177 -6.9529 -6.9529 -6.9240 -6.9240 -6.1919 -6.1919 -6.1497 -6.1497 -5.9846 -5.9846 -5.9186 -5.9186 -3.6323 -3.6323 -3.4238 -3.4238 -3.4010 -3.4010 -3.3778 -3.3778 -2.5940 -2.5940 -2.5319 -2.5319 -1.1860 -1.1860 -1.1624 -1.1624 2.1986 2.1986 2.6897 2.6897 2.7010 2.7010 2.9727 2.9727 7.4235 7.4235 7.7439 7.7439 8.2277 8.2277 8.2376 8.2376 9.2160 9.2160 k = 0.3214 0.3806-0.0000 ( 4939 PWs) bands (ev): -22.1383 -22.1383 -22.1327 -22.1327 -19.3092 -19.3092 -19.2916 -19.2916 -15.0182 -15.0182 -15.0179 -15.0179 -6.9567 -6.9567 -6.9300 -6.9300 -6.1979 -6.1979 -6.1589 -6.1589 -5.9661 -5.9661 -5.9140 -5.9140 -3.6482 -3.6482 -3.4229 -3.4229 -3.3995 -3.3995 -3.3636 -3.3636 -2.5911 -2.5911 -2.5175 -2.5175 -1.1811 -1.1811 -1.1565 -1.1565 2.1761 2.1761 2.6902 2.6902 2.7008 2.7008 2.9765 2.9765 7.4114 7.4114 7.7197 7.7197 8.2087 8.2087 8.2180 8.2180 9.1425 9.1425 k = 0.3333 0.3947-0.0000 ( 4955 PWs) bands (ev): -22.1400 -22.1400 -22.1306 -22.1306 -19.3087 -19.3087 -19.2926 -19.2926 -15.0185 -15.0185 -15.0182 -15.0182 -6.9632 -6.9632 -6.9337 -6.9337 -6.2037 -6.2037 -6.1672 -6.1672 -5.9479 -5.9479 -5.9095 -5.9095 -3.6635 -3.6635 -3.4222 -3.4222 -3.3984 -3.3984 -3.3495 -3.3495 -2.5883 -2.5883 -2.5040 -2.5040 -1.1764 -1.1764 -1.1509 -1.1509 2.1542 2.1542 2.6907 2.6907 2.7006 2.7006 2.9801 2.9801 7.3996 7.3996 7.6971 7.6971 8.1903 8.1903 8.1991 8.1991 9.0724 9.0724 k = 0.3452 0.4087-0.0000 ( 4963 PWs) bands (ev): -22.1417 -22.1417 -22.1286 -22.1286 -19.3082 -19.3082 -19.2935 -19.2935 -15.0187 -15.0187 -15.0184 -15.0184 -6.9715 -6.9715 -6.9356 -6.9356 -6.2091 -6.2091 -6.1746 -6.1746 -5.9300 -5.9300 -5.9053 -5.9053 -3.6781 -3.6781 -3.4215 -3.4215 -3.3976 -3.3976 -3.3358 -3.3358 -2.5856 -2.5856 -2.4912 -2.4912 -1.1718 -1.1718 -1.1454 -1.1454 2.1329 2.1329 2.6912 2.6912 2.7005 2.7005 2.9836 2.9836 7.3884 7.3884 7.6763 7.6763 8.1725 8.1725 8.1808 8.1808 9.0059 9.0059 k = 0.3571 0.4228-0.0000 ( 4963 PWs) bands (ev): -22.1433 -22.1433 -22.1268 -22.1268 -19.3077 -19.3077 -19.2943 -19.2943 -15.0189 -15.0189 -15.0186 -15.0186 -6.9806 -6.9806 -6.9367 -6.9367 -6.2143 -6.2143 -6.1813 -6.1813 -5.9126 -5.9126 -5.9012 -5.9012 -3.6918 -3.6918 -3.4209 -3.4209 -3.3969 -3.3969 -3.3228 -3.3228 -2.5830 -2.5830 -2.4792 -2.4792 -1.1674 -1.1674 -1.1403 -1.1403 2.1126 2.1126 2.6917 2.6917 2.7004 2.7004 2.9870 2.9870 7.3777 7.3777 7.6572 7.6572 8.1557 8.1557 8.1635 8.1635 8.9434 8.9434 k = 0.3690 0.4369-0.0000 ( 4967 PWs) bands (ev): -22.1448 -22.1448 -22.1250 -22.1250 -19.3073 -19.3073 -19.2952 -19.2952 -15.0191 -15.0191 -15.0187 -15.0187 -6.9900 -6.9900 -6.9374 -6.9374 -6.2191 -6.2191 -6.1872 -6.1872 -5.8974 -5.8974 -5.8959 -5.8959 -3.7046 -3.7046 -3.4203 -3.4203 -3.3963 -3.3963 -3.3104 -3.3104 -2.5806 -2.5806 -2.4681 -2.4681 -1.1634 -1.1634 -1.1354 -1.1354 2.0932 2.0932 2.6922 2.6922 2.7003 2.7003 2.9902 2.9902 7.3676 7.3676 7.6398 7.6398 8.1398 8.1398 8.1471 8.1471 8.8848 8.8848 k = 0.3810 0.4510-0.0000 ( 4975 PWs) bands (ev): -22.1462 -22.1462 -22.1233 -22.1233 -19.3069 -19.3069 -19.2959 -19.2959 -15.0192 -15.0192 -15.0189 -15.0189 -6.9992 -6.9992 -6.9378 -6.9378 -6.2236 -6.2236 -6.1923 -6.1923 -5.8938 -5.8938 -5.8801 -5.8801 -3.7165 -3.7165 -3.4198 -3.4198 -3.3958 -3.3958 -3.2988 -3.2988 -2.5784 -2.5784 -2.4579 -2.4579 -1.1595 -1.1595 -1.1309 -1.1309 2.0750 2.0750 2.6926 2.6926 2.7003 2.7003 2.9931 2.9931 7.3582 7.3582 7.6241 7.6241 8.1249 8.1249 8.1318 8.1318 8.8306 8.8306 k = 0.3929 0.4651-0.0000 ( 4971 PWs) bands (ev): -22.1475 -22.1475 -22.1218 -22.1218 -19.3065 -19.3065 -19.2966 -19.2966 -15.0194 -15.0194 -15.0191 -15.0191 -7.0080 -7.0080 -6.9383 -6.9383 -6.2277 -6.2277 -6.1968 -6.1968 -5.8905 -5.8905 -5.8652 -5.8652 -3.7274 -3.7274 -3.4193 -3.4193 -3.3953 -3.3953 -3.2879 -3.2879 -2.5763 -2.5763 -2.4486 -2.4486 -1.1560 -1.1560 -1.1267 -1.1267 2.0580 2.0580 2.6932 2.6932 2.7003 2.7003 2.9958 2.9958 7.3495 7.3495 7.6102 7.6102 8.1111 8.1111 8.1176 8.1176 8.7808 8.7808 k = 0.4048 0.4792-0.0000 ( 4975 PWs) bands (ev): -22.1487 -22.1487 -22.1204 -22.1204 -19.3062 -19.3062 -19.2972 -19.2972 -15.0195 -15.0195 -15.0192 -15.0192 -7.0162 -7.0162 -6.9386 -6.9386 -6.2315 -6.2315 -6.2007 -6.2007 -5.8875 -5.8875 -5.8515 -5.8515 -3.7372 -3.7372 -3.4189 -3.4189 -3.3950 -3.3950 -3.2780 -3.2780 -2.5744 -2.5744 -2.4402 -2.4402 -1.1528 -1.1528 -1.1229 -1.1229 2.0425 2.0425 2.6935 2.6935 2.7002 2.7002 2.9983 2.9983 7.3416 7.3416 7.5978 7.5978 8.0986 8.0986 8.1047 8.1047 8.7357 8.7357 k = 0.4167 0.4933-0.0000 ( 4979 PWs) bands (ev): -22.1497 -22.1497 -22.1192 -22.1192 -19.3059 -19.3059 -19.2978 -19.2978 -15.0197 -15.0197 -15.0194 -15.0194 -7.0237 -7.0237 -6.9390 -6.9390 -6.2348 -6.2348 -6.2040 -6.2040 -5.8848 -5.8848 -5.8391 -5.8391 -3.7460 -3.7460 -3.4186 -3.4186 -3.3947 -3.3947 -3.2692 -3.2692 -2.5728 -2.5728 -2.4328 -2.4328 -1.1500 -1.1500 -1.1195 -1.1195 2.0284 2.0284 2.6940 2.6940 2.7003 2.7003 3.0005 3.0005 7.3345 7.3345 7.5870 7.5870 8.0873 8.0873 8.0931 8.0931 8.6953 8.6953 k = 0.4286 0.5074-0.0000 ( 4979 PWs) bands (ev): -22.1506 -22.1506 -22.1181 -22.1181 -19.3056 -19.3056 -19.2983 -19.2983 -15.0198 -15.0198 -15.0195 -15.0195 -7.0304 -7.0304 -6.9393 -6.9393 -6.2377 -6.2377 -6.2067 -6.2067 -5.8824 -5.8824 -5.8281 -5.8281 -3.7537 -3.7537 -3.4183 -3.4183 -3.3945 -3.3945 -3.2614 -3.2614 -2.5713 -2.5713 -2.4263 -2.4263 -1.1474 -1.1474 -1.1165 -1.1165 2.0160 2.0160 2.6944 2.6944 2.7003 2.7003 3.0025 3.0025 7.3283 7.3283 7.5779 7.5779 8.0775 8.0775 8.0830 8.0830 8.6600 8.6600 k = 0.4405 0.5215-0.0000 ( 4979 PWs) bands (ev): -22.1514 -22.1514 -22.1171 -22.1171 -19.3054 -19.3054 -19.2987 -19.2987 -15.0199 -15.0199 -15.0196 -15.0196 -7.0363 -7.0363 -6.9396 -6.9396 -6.2402 -6.2402 -6.2090 -6.2090 -5.8804 -5.8804 -5.8186 -5.8186 -3.7602 -3.7602 -3.4181 -3.4181 -3.3943 -3.3943 -3.2547 -3.2547 -2.5700 -2.5700 -2.4208 -2.4208 -1.1453 -1.1453 -1.1139 -1.1139 2.0053 2.0053 2.6947 2.6947 2.7004 2.7004 3.0041 3.0041 7.3230 7.3230 7.5702 7.5702 8.0690 8.0690 8.0743 8.0743 8.6299 8.6299 k = 0.4524 0.5356-0.0000 ( 4991 PWs) bands (ev): -22.1521 -22.1521 -22.1163 -22.1163 -19.3052 -19.3052 -19.2990 -19.2990 -15.0200 -15.0200 -15.0197 -15.0197 -7.0412 -7.0412 -6.9399 -6.9399 -6.2422 -6.2422 -6.2108 -6.2108 -5.8787 -5.8787 -5.8107 -5.8107 -3.7656 -3.7656 -3.4179 -3.4179 -3.3942 -3.3942 -3.2492 -3.2492 -2.5690 -2.5690 -2.4163 -2.4163 -1.1435 -1.1435 -1.1118 -1.1118 1.9964 1.9964 2.6949 2.6949 2.7003 2.7003 3.0054 3.0054 7.3185 7.3185 7.5641 7.5641 8.0620 8.0620 8.0670 8.0670 8.6050 8.6050 k = 0.4643 0.5497-0.0000 ( 4991 PWs) bands (ev): -22.1526 -22.1526 -22.1157 -22.1157 -19.3051 -19.3051 -19.2993 -19.2993 -15.0201 -15.0201 -15.0197 -15.0197 -7.0450 -7.0450 -6.9401 -6.9401 -6.2438 -6.2438 -6.2122 -6.2122 -5.8774 -5.8774 -5.8044 -5.8044 -3.7698 -3.7698 -3.4178 -3.4178 -3.3941 -3.3941 -3.2448 -3.2448 -2.5682 -2.5682 -2.4127 -2.4127 -1.1421 -1.1421 -1.1101 -1.1101 1.9895 1.9895 2.6951 2.6951 2.7004 2.7004 3.0065 3.0065 7.3151 7.3151 7.5593 7.5593 8.0565 8.0565 8.0614 8.0614 8.5855 8.5855 k = 0.4762 0.5638-0.0000 ( 4983 PWs) bands (ev): -22.1529 -22.1529 -22.1153 -22.1153 -19.3050 -19.3050 -19.2995 -19.2995 -15.0201 -15.0201 -15.0198 -15.0198 -7.0478 -7.0478 -6.9403 -6.9403 -6.2450 -6.2450 -6.2131 -6.2131 -5.8764 -5.8764 -5.7999 -5.7999 -3.7728 -3.7728 -3.4177 -3.4177 -3.3940 -3.3940 -3.2417 -3.2417 -2.5676 -2.5676 -2.4102 -2.4102 -1.1411 -1.1411 -1.1089 -1.1089 1.9844 1.9844 2.6953 2.6953 2.7004 2.7004 3.0073 3.0073 7.3126 7.3126 7.5560 7.5560 8.0526 8.0526 8.0574 8.0574 8.5715 8.5715 k = 0.4881 0.5779-0.0000 ( 4983 PWs) bands (ev): -22.1532 -22.1532 -22.1150 -22.1150 -19.3049 -19.3049 -19.2996 -19.2996 -15.0201 -15.0201 -15.0198 -15.0198 -7.0495 -7.0495 -6.9404 -6.9404 -6.2457 -6.2457 -6.2137 -6.2137 -5.8758 -5.8758 -5.7972 -5.7972 -3.7746 -3.7746 -3.4176 -3.4176 -3.3940 -3.3940 -3.2398 -3.2398 -2.5673 -2.5673 -2.4087 -2.4087 -1.1404 -1.1404 -1.1081 -1.1081 1.9814 1.9814 2.6954 2.6954 2.7005 2.7005 3.0078 3.0078 7.3112 7.3112 7.5540 7.5540 8.0502 8.0502 8.0549 8.0549 8.5631 8.5631 k = 0.5000 0.5920-0.0000 ( 4976 PWs) bands (ev): -22.1532 -22.1532 -22.1149 -22.1149 -19.3049 -19.3049 -19.2997 -19.2997 -15.0201 -15.0201 -15.0198 -15.0198 -7.0500 -7.0500 -6.9404 -6.9404 -6.2459 -6.2459 -6.2139 -6.2139 -5.8756 -5.8756 -5.7963 -5.7963 -3.7752 -3.7752 -3.4176 -3.4176 -3.3940 -3.3940 -3.2392 -3.2392 -2.5671 -2.5671 -2.4082 -2.4082 -1.1402 -1.1402 -1.1079 -1.1079 1.9804 1.9804 2.6955 2.6955 2.7005 2.7005 3.0080 3.0080 7.3108 7.3108 7.5534 7.5534 8.0494 8.0494 8.0541 8.0541 8.5602 8.5602 k = 0.5000 0.5920-0.0000 ( 4976 PWs) bands (ev): -22.1532 -22.1532 -22.1149 -22.1149 -19.3049 -19.3049 -19.2997 -19.2997 -15.0201 -15.0201 -15.0198 -15.0198 -7.0500 -7.0500 -6.9404 -6.9404 -6.2459 -6.2459 -6.2139 -6.2139 -5.8756 -5.8756 -5.7963 -5.7963 -3.7752 -3.7752 -3.4176 -3.4176 -3.3940 -3.3940 -3.2392 -3.2392 -2.5671 -2.5671 -2.4082 -2.4082 -1.1402 -1.1402 -1.1079 -1.1079 1.9804 1.9804 2.6955 2.6955 2.7005 2.7005 3.0080 3.0080 7.3108 7.3108 7.5534 7.5534 8.0494 8.0494 8.0541 8.0541 8.5602 8.5602 k = 0.4907 0.5999 0.0122 ( 4976 PWs) bands (ev): -22.1533 -22.1533 -22.1149 -22.1149 -19.3049 -19.3049 -19.2997 -19.2997 -15.0201 -15.0201 -15.0198 -15.0198 -7.0500 -7.0500 -6.9402 -6.9402 -6.2458 -6.2458 -6.2139 -6.2139 -5.8759 -5.8759 -5.7963 -5.7963 -3.7747 -3.7747 -3.4178 -3.4178 -3.3941 -3.3941 -3.2392 -3.2392 -2.5667 -2.5667 -2.4085 -2.4085 -1.1406 -1.1406 -1.1083 -1.1083 1.9817 1.9817 2.6952 2.6952 2.7002 2.7002 3.0069 3.0069 7.3124 7.3124 7.5546 7.5546 8.0496 8.0496 8.0548 8.0548 8.5619 8.5619 k = 0.4813 0.6078 0.0245 ( 4972 PWs) bands (ev): -22.1533 -22.1533 -22.1149 -22.1149 -19.3048 -19.3048 -19.2998 -19.2998 -15.0201 -15.0201 -15.0197 -15.0197 -7.0501 -7.0501 -6.9398 -6.9398 -6.2456 -6.2456 -6.2140 -6.2140 -5.8767 -5.8767 -5.7963 -5.7963 -3.7732 -3.7732 -3.4183 -3.4183 -3.3945 -3.3945 -3.2394 -3.2394 -2.5654 -2.5654 -2.4095 -2.4095 -1.1417 -1.1417 -1.1095 -1.1095 1.9856 1.9856 2.6940 2.6940 2.6997 2.6997 3.0039 3.0039 7.3173 7.3173 7.5582 7.5582 8.0484 8.0484 8.0584 8.0584 8.5667 8.5667 k = 0.4720 0.6157 0.0367 ( 4974 PWs) bands (ev): -22.1534 -22.1534 -22.1148 -22.1148 -19.3046 -19.3046 -19.3000 -19.3000 -15.0200 -15.0200 -15.0196 -15.0196 -7.0502 -7.0502 -6.9391 -6.9391 -6.2452 -6.2452 -6.2140 -6.2140 -5.8781 -5.8781 -5.7963 -5.7963 -3.7707 -3.7707 -3.4194 -3.4194 -3.3949 -3.3949 -3.2396 -3.2396 -2.5633 -2.5633 -2.4111 -2.4111 -1.1438 -1.1438 -1.1113 -1.1113 1.9920 1.9920 2.6916 2.6916 2.6994 2.6994 2.9989 2.9989 7.3253 7.3253 7.5643 7.5643 8.0452 8.0452 8.0655 8.0655 8.5746 8.5746 k = 0.4626 0.6236 0.0489 ( 4988 PWs) bands (ev): -22.1535 -22.1535 -22.1147 -22.1147 -19.3044 -19.3044 -19.3002 -19.3002 -15.0200 -15.0200 -15.0195 -15.0195 -7.0504 -7.0504 -6.9382 -6.9382 -6.2447 -6.2447 -6.2141 -6.2141 -5.8800 -5.8800 -5.7963 -5.7963 -3.7672 -3.7672 -3.4214 -3.4214 -3.3951 -3.3951 -3.2401 -3.2401 -2.5604 -2.5604 -2.4134 -2.4134 -1.1468 -1.1468 -1.1136 -1.1136 2.0009 2.0009 2.6877 2.6877 2.6994 2.6994 2.9918 2.9918 7.3365 7.3365 7.5727 7.5727 8.0406 8.0406 8.0758 8.0758 8.5854 8.5854 k = 0.4533 0.6315 0.0612 ( 4980 PWs) bands (ev): -22.1536 -22.1536 -22.1146 -22.1146 -19.3041 -19.3041 -19.3005 -19.3005 -15.0200 -15.0200 -15.0193 -15.0193 -7.0506 -7.0506 -6.9369 -6.9369 -6.2442 -6.2442 -6.2140 -6.2140 -5.8824 -5.8824 -5.7963 -5.7963 -3.7628 -3.7628 -3.4245 -3.4245 -3.3947 -3.3947 -3.2405 -3.2405 -2.5568 -2.5568 -2.4163 -2.4163 -1.1511 -1.1511 -1.1161 -1.1161 2.0123 2.0123 2.6826 2.6826 2.6997 2.6997 2.9831 2.9831 7.3510 7.3510 7.5835 7.5835 8.0348 8.0348 8.0889 8.0889 8.5989 8.5989 k = 0.4439 0.6393 0.0734 ( 4978 PWs) bands (ev): -22.1538 -22.1538 -22.1145 -22.1145 -19.3038 -19.3038 -19.3008 -19.3008 -15.0199 -15.0199 -15.0190 -15.0190 -7.0508 -7.0508 -6.9354 -6.9354 -6.2437 -6.2437 -6.2138 -6.2138 -5.8852 -5.8852 -5.7963 -5.7963 -3.7575 -3.7575 -3.4289 -3.4289 -3.3937 -3.3937 -3.2411 -3.2411 -2.5523 -2.5523 -2.4197 -2.4197 -1.1567 -1.1567 -1.1187 -1.1187 2.0260 2.0260 2.6764 2.6764 2.7002 2.7002 2.9725 2.9725 7.3684 7.3684 7.5966 7.5966 8.0280 8.0280 8.1046 8.1046 8.6149 8.6149 k = 0.4346 0.6472 0.0856 ( 4966 PWs) bands (ev): -22.1540 -22.1540 -22.1143 -22.1143 -19.3034 -19.3034 -19.3012 -19.3012 -15.0199 -15.0199 -15.0187 -15.0187 -7.0510 -7.0510 -6.9337 -6.9337 -6.2433 -6.2433 -6.2134 -6.2134 -5.8885 -5.8885 -5.7963 -5.7963 -3.7514 -3.7514 -3.4344 -3.4344 -3.3920 -3.3920 -3.2417 -3.2417 -2.5472 -2.5472 -2.4236 -2.4236 -1.1638 -1.1638 -1.1213 -1.1213 2.0420 2.0420 2.6692 2.6692 2.7008 2.7008 2.9604 2.9604 7.3888 7.3888 7.6120 7.6120 8.0204 8.0204 8.1228 8.1228 8.6331 8.6331 k = 0.4252 0.6551 0.0979 ( 4980 PWs) bands (ev): -22.1543 -22.1543 -22.1141 -22.1141 -19.3030 -19.3030 -19.3016 -19.3016 -15.0199 -15.0199 -15.0183 -15.0183 -7.0513 -7.0513 -6.9318 -6.9318 -6.2431 -6.2431 -6.2126 -6.2126 -5.8923 -5.8923 -5.7964 -5.7964 -3.7446 -3.7446 -3.4410 -3.4410 -3.3898 -3.3898 -3.2424 -3.2424 -2.5415 -2.5415 -2.4279 -2.4279 -1.1723 -1.1723 -1.1238 -1.1238 2.0601 2.0601 2.6612 2.6612 2.7015 2.7015 2.9467 2.9467 7.4120 7.4120 7.6297 7.6297 8.0121 8.0121 8.1433 8.1433 8.6531 8.6531 k = 0.4252 0.6551 0.0979 ( 4980 PWs) bands (ev): -22.1543 -22.1543 -22.1141 -22.1141 -19.3030 -19.3030 -19.3016 -19.3016 -15.0199 -15.0199 -15.0183 -15.0183 -7.0513 -7.0513 -6.9318 -6.9318 -6.2431 -6.2431 -6.2126 -6.2126 -5.8923 -5.8923 -5.7964 -5.7964 -3.7446 -3.7446 -3.4410 -3.4410 -3.3898 -3.3898 -3.2424 -3.2424 -2.5415 -2.5415 -2.4279 -2.4279 -1.1723 -1.1723 -1.1238 -1.1238 2.0601 2.0601 2.6612 2.6612 2.7015 2.7015 2.9467 2.9467 7.4120 7.4120 7.6297 7.6297 8.0121 8.0121 8.1433 8.1433 8.6531 8.6531 k = 0.4100 0.6499 0.1061 ( 4976 PWs) bands (ev): -22.1544 -22.1544 -22.1140 -22.1140 -19.3027 -19.3027 -19.3019 -19.3019 -15.0199 -15.0199 -15.0181 -15.0181 -7.0511 -7.0511 -6.9303 -6.9303 -6.2430 -6.2430 -6.2117 -6.2117 -5.8951 -5.8951 -5.7969 -5.7969 -3.7393 -3.7393 -3.4460 -3.4460 -3.3881 -3.3881 -3.2433 -3.2433 -2.5374 -2.5374 -2.4313 -2.4313 -1.1788 -1.1788 -1.1256 -1.1256 2.0738 2.0738 2.6555 2.6555 2.7021 2.7021 2.9368 2.9368 7.4293 7.4293 7.6431 7.6431 8.0068 8.0068 8.1586 8.1586 8.6688 8.6688 k = 0.3948 0.6446 0.1143 ( 4973 PWs) bands (ev): -22.1545 -22.1545 -22.1140 -22.1140 -19.3024 -19.3024 -19.3021 -19.3021 -15.0199 -15.0199 -15.0178 -15.0178 -7.0503 -7.0503 -6.9288 -6.9288 -6.2428 -6.2428 -6.2103 -6.2103 -5.8983 -5.8983 -5.7985 -5.7985 -3.7332 -3.7332 -3.4512 -3.4512 -3.3864 -3.3864 -3.2448 -3.2448 -2.5333 -2.5333 -2.4351 -2.4351 -1.1860 -1.1860 -1.1278 -1.1278 2.0892 2.0892 2.6496 2.6496 2.7026 2.7026 2.9263 2.9263 7.4481 7.4481 7.6581 7.6581 8.0023 8.0023 8.1754 8.1754 8.6881 8.6881 k = 0.3797 0.6393 0.1225 ( 4971 PWs) bands (ev): -22.1545 -22.1545 -22.1141 -22.1141 -19.3025 -19.3025 -19.3020 -19.3020 -15.0198 -15.0198 -15.0175 -15.0175 -7.0489 -7.0489 -6.9271 -6.9271 -6.2424 -6.2424 -6.2085 -6.2085 -5.9018 -5.9018 -5.8011 -5.8011 -3.7263 -3.7263 -3.4567 -3.4567 -3.3846 -3.3846 -3.2469 -3.2469 -2.5290 -2.5290 -2.4395 -2.4395 -1.1937 -1.1937 -1.1303 -1.1303 2.1060 2.1060 2.6435 2.6435 2.7032 2.7032 2.9153 2.9153 7.4684 7.4684 7.6747 7.6747 7.9988 7.9988 8.1935 8.1935 8.7108 8.7108 k = 0.3645 0.6340 0.1307 ( 4972 PWs) bands (ev): -22.1544 -22.1544 -22.1143 -22.1143 -19.3027 -19.3027 -19.3018 -19.3018 -15.0198 -15.0198 -15.0172 -15.0172 -7.0469 -7.0469 -6.9254 -6.9254 -6.2420 -6.2420 -6.2062 -6.2062 -5.9057 -5.9057 -5.8048 -5.8048 -3.7188 -3.7188 -3.4623 -3.4623 -3.3829 -3.3829 -3.2497 -3.2497 -2.5247 -2.5247 -2.4442 -2.4442 -1.2018 -1.2018 -1.1332 -1.1332 2.1242 2.1242 2.6375 2.6375 2.7037 2.7037 2.9038 2.9038 7.4900 7.4900 7.6927 7.6927 7.9964 7.9964 8.2127 8.2127 8.7366 8.7366 k = 0.3493 0.6287 0.1388 ( 4972 PWs) bands (ev): -22.1543 -22.1543 -22.1145 -22.1145 -19.3029 -19.3029 -19.3015 -19.3015 -15.0197 -15.0197 -15.0168 -15.0168 -7.0443 -7.0443 -6.9236 -6.9236 -6.2413 -6.2413 -6.2035 -6.2035 -5.9099 -5.9099 -5.8096 -5.8096 -3.7106 -3.7106 -3.4679 -3.4679 -3.3813 -3.3813 -3.2531 -3.2531 -2.5204 -2.5204 -2.4492 -2.4492 -1.2104 -1.2104 -1.1366 -1.1366 2.1435 2.1435 2.6315 2.6315 2.7043 2.7043 2.8921 2.8921 7.5128 7.5128 7.7122 7.7122 7.9952 7.9952 8.2329 8.2329 8.7654 8.7654 k = 0.3341 0.6234 0.1470 ( 4973 PWs) bands (ev): -22.1541 -22.1541 -22.1148 -22.1148 -19.3031 -19.3031 -19.3012 -19.3012 -15.0196 -15.0196 -15.0165 -15.0165 -7.0412 -7.0412 -6.9218 -6.9218 -6.2406 -6.2406 -6.2003 -6.2003 -5.9144 -5.9144 -5.8153 -5.8153 -3.7018 -3.7018 -3.4736 -3.4736 -3.3798 -3.3798 -3.2571 -3.2571 -2.5160 -2.5160 -2.4544 -2.4544 -1.2191 -1.2191 -1.1405 -1.1405 2.1637 2.1637 2.6257 2.6257 2.7048 2.7048 2.8801 2.8801 7.5366 7.5366 7.7329 7.7329 7.9952 7.9952 8.2537 8.2537 8.7970 8.7970 k = 0.3189 0.6181 0.1552 ( 4981 PWs) bands (ev): -22.1538 -22.1538 -22.1153 -22.1153 -19.3032 -19.3032 -19.3010 -19.3010 -15.0195 -15.0195 -15.0162 -15.0162 -7.0375 -7.0375 -6.9199 -6.9199 -6.2396 -6.2396 -6.1967 -6.1967 -5.9192 -5.9192 -5.8220 -5.8220 -3.6924 -3.6924 -3.4791 -3.4791 -3.3786 -3.3786 -3.2617 -3.2617 -2.5118 -2.5118 -2.4596 -2.4596 -1.2280 -1.2280 -1.1448 -1.1448 2.1846 2.1846 2.6200 2.6200 2.7054 2.7054 2.8679 2.8679 7.5614 7.5614 7.7545 7.7545 7.9967 7.9967 8.2750 8.2750 8.8310 8.8310 k = 0.3037 0.6129 0.1634 ( 4984 PWs) bands (ev): -22.1535 -22.1535 -22.1157 -22.1157 -19.3033 -19.3033 -19.3007 -19.3007 -15.0194 -15.0194 -15.0159 -15.0159 -7.0333 -7.0333 -6.9180 -6.9180 -6.2384 -6.2384 -6.1927 -6.1927 -5.9243 -5.9243 -5.8297 -5.8297 -3.6826 -3.6826 -3.4845 -3.4845 -3.3776 -3.3776 -3.2668 -3.2668 -2.5075 -2.5075 -2.4648 -2.4648 -1.2369 -1.2369 -1.1497 -1.1497 2.2061 2.2061 2.6147 2.6147 2.7059 2.7059 2.8556 2.8556 7.5869 7.5869 7.7770 7.7770 7.9999 7.9999 8.2965 8.2965 8.8673 8.8673 k = 0.2885 0.6076 0.1716 ( 4982 PWs) bands (ev): -22.1531 -22.1531 -22.1163 -22.1163 -19.3034 -19.3034 -19.3005 -19.3005 -15.0192 -15.0192 -15.0155 -15.0155 -7.0287 -7.0287 -6.9161 -6.9161 -6.2368 -6.2368 -6.1883 -6.1883 -5.9296 -5.9296 -5.8383 -5.8383 -3.6724 -3.6724 -3.4895 -3.4895 -3.3770 -3.3770 -3.2723 -3.2723 -2.5034 -2.5034 -2.4699 -2.4699 -1.2458 -1.2458 -1.1551 -1.1551 2.2278 2.2278 2.6098 2.6098 2.7065 2.7065 2.8432 2.8432 7.6131 7.6131 7.7999 7.7999 8.0050 8.0050 8.3180 8.3180 8.9057 8.9057 k = 0.2734 0.6023 0.1798 ( 4988 PWs) bands (ev): -22.1526 -22.1526 -22.1169 -22.1169 -19.3035 -19.3035 -19.3003 -19.3003 -15.0191 -15.0191 -15.0153 -15.0153 -7.0236 -7.0236 -6.9143 -6.9143 -6.2350 -6.2350 -6.1835 -6.1835 -5.9353 -5.9353 -5.8478 -5.8478 -3.6619 -3.6619 -3.4942 -3.4942 -3.3768 -3.3768 -3.2782 -3.2782 -2.4995 -2.4995 -2.4747 -2.4747 -1.2545 -1.2545 -1.1610 -1.1610 2.2498 2.2498 2.6053 2.6053 2.7069 2.7069 2.8309 2.8309 7.6396 7.6396 7.8227 7.8227 8.0122 8.0122 8.3391 8.3391 8.9458 8.9458 k = 0.2582 0.5970 0.1880 ( 4980 PWs) bands (ev): -22.1521 -22.1521 -22.1176 -22.1176 -19.3035 -19.3035 -19.3002 -19.3002 -15.0189 -15.0189 -15.0150 -15.0150 -7.0181 -7.0181 -6.9125 -6.9125 -6.2328 -6.2328 -6.1784 -6.1784 -5.9411 -5.9411 -5.8581 -5.8581 -3.6510 -3.6510 -3.4984 -3.4984 -3.3770 -3.3770 -3.2846 -3.2846 -2.4957 -2.4957 -2.4792 -2.4792 -1.2629 -1.2629 -1.1673 -1.1673 2.2717 2.2717 2.6013 2.6013 2.7074 2.7074 2.8188 2.8188 7.6665 7.6665 7.8451 7.8451 8.0221 8.0221 8.3597 8.3597 8.9874 8.9874 k = 0.2430 0.5917 0.1962 ( 4977 PWs) bands (ev): -22.1515 -22.1515 -22.1184 -22.1184 -19.3035 -19.3035 -19.3000 -19.3000 -15.0187 -15.0187 -15.0147 -15.0147 -7.0123 -7.0123 -6.9108 -6.9108 -6.2301 -6.2301 -6.1730 -6.1730 -5.9472 -5.9472 -5.8692 -5.8692 -3.6400 -3.6400 -3.5022 -3.5022 -3.3777 -3.3777 -3.2914 -3.2914 -2.4922 -2.4922 -2.4831 -2.4831 -1.2710 -1.2710 -1.1742 -1.1742 2.2934 2.2934 2.5978 2.5978 2.7078 2.7078 2.8068 2.8068 7.6935 7.6935 7.8663 7.8663 8.0349 8.0349 8.3794 8.3794 9.0302 9.0302 k = 0.2278 0.5864 0.2044 ( 4978 PWs) bands (ev): -22.1509 -22.1509 -22.1192 -22.1192 -19.3035 -19.3035 -19.2999 -19.2999 -15.0184 -15.0184 -15.0144 -15.0144 -7.0063 -7.0063 -6.9093 -6.9093 -6.2270 -6.2270 -6.1673 -6.1673 -5.9535 -5.9535 -5.8810 -5.8810 -3.6288 -3.6288 -3.5054 -3.5054 -3.3789 -3.3789 -3.2986 -3.2986 -2.4895 -2.4895 -2.4860 -2.4860 -1.2786 -1.2786 -1.1815 -1.1815 2.3147 2.3147 2.5948 2.5948 2.7080 2.7080 2.7950 2.7950 7.7203 7.7203 7.8860 7.8860 8.0510 8.0510 8.3981 8.3981 9.0741 9.0741 k = 0.2126 0.5811 0.2126 ( 4979 PWs) bands (ev): -22.1501 -22.1501 -22.1201 -22.1201 -19.3034 -19.3034 -19.2998 -19.2998 -15.0182 -15.0182 -15.0142 -15.0142 -7.0000 -7.0000 -6.9078 -6.9078 -6.2234 -6.2234 -6.1614 -6.1614 -5.9601 -5.9601 -5.8934 -5.8934 -3.6175 -3.6175 -3.5080 -3.5080 -3.3808 -3.3808 -3.3061 -3.3061 -2.4907 -2.4907 -2.4849 -2.4849 -1.2857 -1.2857 -1.1892 -1.1892 2.3356 2.3356 2.5923 2.5923 2.7082 2.7082 2.7834 2.7834 7.7469 7.7469 7.9036 7.9036 8.0704 8.0704 8.4154 8.4154 9.1186 9.1186 k = 0.1974 0.5759 0.2208 ( 4980 PWs) bands (ev): -22.1494 -22.1494 -22.1210 -22.1210 -19.3034 -19.3034 -19.2997 -19.2997 -15.0180 -15.0180 -15.0140 -15.0140 -6.9935 -6.9935 -6.9066 -6.9066 -6.2192 -6.2192 -6.1551 -6.1551 -5.9669 -5.9669 -5.9063 -5.9063 -3.6061 -3.6061 -3.5100 -3.5100 -3.3831 -3.3831 -3.3139 -3.3139 -2.4929 -2.4929 -2.4823 -2.4823 -1.2922 -1.2922 -1.1972 -1.1972 2.3559 2.3559 2.5902 2.5902 2.7082 2.7082 2.7723 2.7723 7.7731 7.7731 7.9193 7.9193 8.0929 8.0929 8.4311 8.4311 9.1636 9.1636 k = 0.1822 0.5706 0.2289 ( 4978 PWs) bands (ev): -22.1486 -22.1486 -22.1220 -22.1220 -19.3033 -19.3033 -19.2996 -19.2996 -15.0177 -15.0177 -15.0139 -15.0139 -6.9869 -6.9869 -6.9056 -6.9056 -6.2145 -6.2145 -6.1487 -6.1487 -5.9739 -5.9739 -5.9197 -5.9197 -3.5947 -3.5947 -3.5112 -3.5112 -3.3861 -3.3861 -3.3220 -3.3220 -2.4948 -2.4948 -2.4799 -2.4799 -1.2980 -1.2980 -1.2056 -1.2056 2.3756 2.3756 2.5886 2.5886 2.7081 2.7081 2.7615 2.7615 7.7986 7.7986 7.9331 7.9331 8.1180 8.1180 8.4451 8.4451 9.2088 9.2088 k = 0.1671 0.5653 0.2371 ( 4988 PWs) bands (ev): -22.1477 -22.1477 -22.1230 -22.1230 -19.3031 -19.3031 -19.2996 -19.2996 -15.0174 -15.0174 -15.0137 -15.0137 -6.9803 -6.9803 -6.9048 -6.9048 -6.2091 -6.2091 -6.1421 -6.1421 -5.9812 -5.9812 -5.9335 -5.9335 -3.5834 -3.5834 -3.5118 -3.5118 -3.3896 -3.3896 -3.3304 -3.3304 -2.4961 -2.4961 -2.4779 -2.4779 -1.3031 -1.3031 -1.2142 -1.2142 2.3944 2.3944 2.5872 2.5872 2.7078 2.7078 2.7512 2.7512 7.8233 7.8233 7.9451 7.9451 8.1452 8.1452 8.4570 8.4570 9.2541 9.2541 k = 0.1519 0.5600 0.2453 ( 4978 PWs) bands (ev): -22.1468 -22.1468 -22.1241 -22.1241 -19.3030 -19.3030 -19.2996 -19.2996 -15.0172 -15.0172 -15.0136 -15.0136 -6.9737 -6.9737 -6.9043 -6.9043 -6.2030 -6.2030 -6.1353 -6.1353 -5.9887 -5.9887 -5.9474 -5.9474 -3.5722 -3.5722 -3.5116 -3.5116 -3.3935 -3.3935 -3.3389 -3.3389 -2.4967 -2.4967 -2.4762 -2.4762 -1.3074 -1.3074 -1.2229 -1.2229 2.4125 2.4125 2.5860 2.5860 2.7074 2.7074 2.7416 2.7416 7.8470 7.8470 7.9558 7.9558 8.1738 8.1738 8.4669 8.4669 9.2992 9.2992 k = 0.1367 0.5547 0.2535 ( 4973 PWs) bands (ev): -22.1459 -22.1459 -22.1252 -22.1252 -19.3028 -19.3028 -19.2997 -19.2997 -15.0169 -15.0169 -15.0135 -15.0135 -6.9671 -6.9671 -6.9040 -6.9040 -6.1963 -6.1963 -6.1284 -6.1284 -5.9966 -5.9966 -5.9613 -5.9613 -3.5611 -3.5611 -3.5108 -3.5108 -3.3980 -3.3980 -3.3477 -3.3477 -2.4968 -2.4968 -2.4749 -2.4749 -1.3108 -1.3108 -1.2317 -1.2317 2.4298 2.4298 2.5849 2.5849 2.7068 2.7068 2.7327 2.7327 7.8694 7.8694 7.9653 7.9653 8.2031 8.2031 8.4745 8.4745 9.3440 9.3440 k = 0.1215 0.5494 0.2617 ( 4984 PWs) bands (ev): -22.1449 -22.1449 -22.1263 -22.1263 -19.3026 -19.3026 -19.2997 -19.2997 -15.0166 -15.0166 -15.0135 -15.0135 -6.9607 -6.9607 -6.9041 -6.9041 -6.1889 -6.1889 -6.1214 -6.1214 -6.0050 -6.0050 -5.9750 -5.9750 -3.5503 -3.5503 -3.5093 -3.5093 -3.4027 -3.4027 -3.3567 -3.3567 -2.4964 -2.4964 -2.4741 -2.4741 -1.3133 -1.3133 -1.2405 -1.2405 2.4462 2.4462 2.5836 2.5836 2.7060 2.7060 2.7245 2.7245 7.8905 7.8905 7.9737 7.9737 8.2326 8.2326 8.4796 8.4796 9.3885 9.3885 k = 0.1063 0.5441 0.2699 ( 4982 PWs) bands (ev): -22.1438 -22.1438 -22.1274 -22.1274 -19.3024 -19.3024 -19.2998 -19.2998 -15.0163 -15.0163 -15.0135 -15.0135 -6.9544 -6.9544 -6.9046 -6.9046 -6.1808 -6.1808 -6.1143 -6.1143 -6.0141 -6.0141 -5.9881 -5.9881 -3.5398 -3.5398 -3.5071 -3.5071 -3.4077 -3.4077 -3.3657 -3.3657 -2.4955 -2.4955 -2.4737 -2.4737 -1.3149 -1.3149 -1.2492 -1.2492 2.4617 2.4617 2.5819 2.5819 2.7049 2.7049 2.7173 2.7173 7.9099 7.9099 7.9810 7.9810 8.2619 8.2619 8.4823 8.4823 9.4326 9.4326 k = 0.0911 0.5389 0.2781 ( 4984 PWs) bands (ev): -22.1428 -22.1428 -22.1286 -22.1286 -19.3022 -19.3022 -19.2999 -19.2999 -15.0160 -15.0160 -15.0135 -15.0135 -6.9484 -6.9484 -6.9054 -6.9054 -6.1720 -6.1720 -6.1073 -6.1073 -6.0240 -6.0240 -6.0003 -6.0003 -3.5298 -3.5298 -3.5044 -3.5044 -3.4127 -3.4127 -3.3747 -3.3747 -2.4941 -2.4941 -2.4737 -2.4737 -1.3156 -1.3156 -1.2577 -1.2577 2.4764 2.4764 2.5797 2.5797 2.7037 2.7037 2.7112 2.7112 7.9277 7.9277 7.9870 7.9870 8.2904 8.2904 8.4825 8.4825 9.4764 9.4764 k = 0.0759 0.5336 0.2863 ( 4987 PWs) bands (ev): -22.1417 -22.1417 -22.1298 -22.1298 -19.3020 -19.3020 -19.3000 -19.3000 -15.0157 -15.0157 -15.0136 -15.0136 -6.9426 -6.9426 -6.9067 -6.9067 -6.1626 -6.1626 -6.1004 -6.1004 -6.0348 -6.0348 -6.0113 -6.0113 -3.5204 -3.5204 -3.5012 -3.5012 -3.4174 -3.4174 -3.3838 -3.3838 -2.4924 -2.4924 -2.4742 -2.4742 -1.3153 -1.3153 -1.2660 -1.2660 2.4902 2.4902 2.5766 2.5766 2.7023 2.7023 2.7063 2.7063 7.9436 7.9436 7.9919 7.9919 8.3179 8.3179 8.4800 8.4800 9.5199 9.5199 k = 0.0607 0.5283 0.2945 ( 4987 PWs) bands (ev): -22.1405 -22.1405 -22.1310 -22.1310 -19.3018 -19.3018 -19.3002 -19.3002 -15.0154 -15.0154 -15.0137 -15.0137 -6.9372 -6.9372 -6.9083 -6.9083 -6.1525 -6.1525 -6.0942 -6.0942 -6.0459 -6.0459 -6.0211 -6.0211 -3.5119 -3.5119 -3.4978 -3.4978 -3.4215 -3.4215 -3.3926 -3.3926 -2.4905 -2.4905 -2.4750 -2.4750 -1.3140 -1.3140 -1.2739 -1.2739 2.5031 2.5031 2.5726 2.5726 2.7006 2.7006 2.7027 2.7027 7.9575 7.9575 7.9953 7.9953 8.3439 8.3439 8.4749 8.4749 9.5633 9.5633 k = 0.0456 0.5230 0.3027 ( 4984 PWs) bands (ev): -22.1394 -22.1394 -22.1322 -22.1322 -19.3016 -19.3016 -19.3003 -19.3003 -15.0151 -15.0151 -15.0138 -15.0138 -6.9321 -6.9321 -6.9104 -6.9104 -6.1418 -6.1418 -6.0896 -6.0896 -6.0558 -6.0558 -6.0302 -6.0302 -3.5046 -3.5046 -3.4944 -3.4944 -3.4245 -3.4245 -3.4012 -3.4012 -2.4884 -2.4884 -2.4763 -2.4763 -1.3118 -1.3118 -1.2813 -1.2813 2.5151 2.5151 2.5676 2.5676 2.6988 2.6988 2.7005 2.7005 7.9694 7.9694 7.9973 7.9973 8.3682 8.3682 8.4672 8.4672 9.6067 9.6067 k = 0.0304 0.5177 0.3109 ( 4986 PWs) bands (ev): -22.1382 -22.1382 -22.1334 -22.1334 -19.3014 -19.3014 -19.3005 -19.3005 -15.0149 -15.0149 -15.0140 -15.0140 -6.9274 -6.9274 -6.9129 -6.9129 -6.1306 -6.1306 -6.0899 -6.0899 -6.0609 -6.0609 -6.0385 -6.0385 -3.4986 -3.4986 -3.4918 -3.4918 -3.4258 -3.4258 -3.4091 -3.4091 -2.4861 -2.4861 -2.4778 -2.4778 -1.3087 -1.3087 -1.2881 -1.2881 2.5263 2.5263 2.5614 2.5614 2.6974 2.6974 2.6989 2.6989 7.9792 7.9792 7.9975 7.9975 8.3906 8.3906 8.4569 8.4569 9.6503 9.6503 k = 0.0152 0.5124 0.3191 ( 4982 PWs) bands (ev): -22.1370 -22.1370 -22.1346 -22.1346 -19.3012 -19.3012 -19.3007 -19.3007 -15.0146 -15.0146 -15.0142 -15.0142 -6.9231 -6.9231 -6.9159 -6.9159 -6.1191 -6.1191 -6.0970 -6.0970 -6.0591 -6.0591 -6.0463 -6.0463 -3.4942 -3.4942 -3.4907 -3.4907 -3.4248 -3.4248 -3.4160 -3.4160 -2.4839 -2.4839 -2.4796 -2.4796 -1.3047 -1.3047 -1.2944 -1.2944 2.5366 2.5366 2.5542 2.5542 2.6969 2.6969 2.6978 2.6978 7.9868 7.9868 7.9959 7.9959 8.4108 8.4108 8.4440 8.4440 9.6943 9.6943 k = 0.0000 0.5071 0.3272 ( 4982 PWs) bands (ev): -22.1358 -22.1358 -22.1358 -22.1358 -19.3010 -19.3010 -19.3008 -19.3008 -15.0144 -15.0144 -15.0143 -15.0143 -6.9193 -6.9193 -6.9193 -6.9193 -6.1076 -6.1076 -6.1076 -6.1076 -6.0534 -6.0534 -6.0534 -6.0534 -3.4916 -3.4916 -3.4914 -3.4914 -3.4215 -3.4215 -3.4213 -3.4213 -2.4817 -2.4817 -2.4816 -2.4816 -1.3000 -1.3000 -1.2999 -1.2999 2.5459 2.5459 2.5459 2.5459 2.6970 2.6970 2.6971 2.6971 7.9923 7.9923 7.9924 7.9924 8.4285 8.4285 8.4286 8.4286 9.7388 9.7388 k = 0.0000 0.5071 0.3272 ( 4982 PWs) bands (ev): -22.1358 -22.1358 -22.1358 -22.1358 -19.3010 -19.3010 -19.3008 -19.3008 -15.0144 -15.0144 -15.0143 -15.0143 -6.9193 -6.9193 -6.9193 -6.9193 -6.1076 -6.1076 -6.1076 -6.1076 -6.0534 -6.0534 -6.0534 -6.0534 -3.4916 -3.4916 -3.4914 -3.4914 -3.4215 -3.4215 -3.4213 -3.4213 -2.4817 -2.4817 -2.4816 -2.4816 -1.3000 -1.3000 -1.2999 -1.2999 2.5459 2.5459 2.5459 2.5459 2.6970 2.6970 2.6971 2.6971 7.9923 7.9923 7.9924 7.9924 8.4285 8.4285 8.4286 8.4286 9.7388 9.7388 k = 0.0100 0.4987 0.3403 ( 4984 PWs) bands (ev): -22.1358 -22.1358 -22.1358 -22.1358 -19.3011 -19.3011 -19.3008 -19.3008 -15.0144 -15.0144 -15.0143 -15.0143 -6.9198 -6.9198 -6.9189 -6.9189 -6.1124 -6.1124 -6.1032 -6.1032 -6.0571 -6.0571 -6.0492 -6.0492 -3.4919 -3.4919 -3.4915 -3.4915 -3.4214 -3.4214 -3.4205 -3.4205 -2.4822 -2.4822 -2.4819 -2.4819 -1.3000 -1.3000 -1.2995 -1.2995 2.5453 2.5453 2.5459 2.5459 2.6968 2.6968 2.6974 2.6974 7.9931 7.9931 7.9935 7.9935 8.4282 8.4282 8.4287 8.4287 9.7389 9.7390 k = 0.0200 0.4903 0.3534 ( 4984 PWs) bands (ev): -22.1358 -22.1358 -22.1358 -22.1358 -19.3011 -19.3011 -19.3008 -19.3008 -15.0144 -15.0144 -15.0143 -15.0143 -6.9204 -6.9204 -6.9186 -6.9186 -6.1174 -6.1174 -6.0998 -6.0998 -6.0599 -6.0599 -6.0446 -6.0446 -3.4926 -3.4926 -3.4920 -3.4920 -3.4204 -3.4204 -3.4188 -3.4188 -2.4833 -2.4833 -2.4829 -2.4829 -1.2995 -1.2995 -1.2986 -1.2986 2.5440 2.5440 2.5452 2.5452 2.6967 2.6967 2.6980 2.6980 7.9956 7.9956 7.9963 7.9963 8.4276 8.4276 8.4286 8.4286 9.7392 9.7392 k = 0.0300 0.4818 0.3665 ( 4984 PWs) bands (ev): -22.1358 -22.1358 -22.1358 -22.1358 -19.3011 -19.3011 -19.3009 -19.3009 -15.0144 -15.0144 -15.0142 -15.0142 -6.9211 -6.9211 -6.9184 -6.9184 -6.1226 -6.1226 -6.0979 -6.0979 -6.0611 -6.0611 -6.0399 -6.0399 -3.4936 -3.4936 -3.4928 -3.4928 -3.4185 -3.4185 -3.4163 -3.4163 -2.4851 -2.4851 -2.4845 -2.4845 -1.2986 -1.2986 -1.2973 -1.2973 2.5422 2.5422 2.5440 2.5440 2.6968 2.6968 2.6986 2.6986 7.9998 7.9998 8.0009 8.0009 8.4267 8.4267 8.4281 8.4281 9.7398 9.7398 k = 0.0400 0.4734 0.3796 ( 4986 PWs) bands (ev): -22.1358 -22.1358 -22.1358 -22.1358 -19.3012 -19.3012 -19.3009 -19.3009 -15.0143 -15.0143 -15.0142 -15.0142 -6.9219 -6.9219 -6.9184 -6.9184 -6.1276 -6.1276 -6.0978 -6.0978 -6.0604 -6.0604 -6.0351 -6.0351 -3.4947 -3.4947 -3.4938 -3.4938 -3.4160 -3.4160 -3.4132 -3.4132 -2.4876 -2.4876 -2.4868 -2.4868 -1.2973 -1.2973 -1.2956 -1.2956 2.5399 2.5399 2.5423 2.5423 2.6968 2.6968 2.6992 2.6992 8.0057 8.0057 8.0071 8.0071 8.4255 8.4255 8.4274 8.4274 9.7408 9.7408 k = 0.0500 0.4649 0.3927 ( 4992 PWs) bands (ev): -22.1358 -22.1358 -22.1358 -22.1358 -19.3012 -19.3012 -19.3010 -19.3010 -15.0143 -15.0143 -15.0141 -15.0141 -6.9227 -6.9227 -6.9185 -6.9185 -6.1326 -6.1326 -6.0995 -6.0995 -6.0578 -6.0578 -6.0304 -6.0304 -3.4958 -3.4958 -3.4949 -3.4949 -3.4130 -3.4130 -3.4098 -3.4098 -2.4907 -2.4907 -2.4897 -2.4897 -1.2957 -1.2957 -1.2935 -1.2935 2.5373 2.5373 2.5402 2.5402 2.6968 2.6968 2.6998 2.6998 8.0131 8.0131 8.0149 8.0149 8.4242 8.4242 8.4265 8.4265 9.7424 9.7424 k = 0.0600 0.4565 0.4058 ( 4992 PWs) bands (ev): -22.1358 -22.1358 -22.1358 -22.1358 -19.3013 -19.3013 -19.3011 -19.3011 -15.0142 -15.0142 -15.0141 -15.0141 -6.9236 -6.9236 -6.9187 -6.9187 -6.1373 -6.1373 -6.1026 -6.1026 -6.0540 -6.0540 -6.0257 -6.0257 -3.4967 -3.4967 -3.4959 -3.4959 -3.4097 -3.4097 -3.4062 -3.4062 -2.4943 -2.4943 -2.4931 -2.4931 -1.2936 -1.2936 -1.2911 -1.2911 2.5345 2.5345 2.5380 2.5380 2.6966 2.6966 2.7001 2.7001 8.0220 8.0220 8.0240 8.0240 8.4228 8.4228 8.4254 8.4254 9.7446 9.7446 k = 0.0700 0.4480 0.4189 ( 4990 PWs) bands (ev): -22.1357 -22.1357 -22.1357 -22.1357 -19.3014 -19.3014 -19.3011 -19.3011 -15.0141 -15.0141 -15.0140 -15.0140 -6.9246 -6.9246 -6.9190 -6.9190 -6.1419 -6.1419 -6.1064 -6.1064 -6.0494 -6.0494 -6.0212 -6.0212 -3.4973 -3.4973 -3.4966 -3.4966 -3.4063 -3.4063 -3.4025 -3.4025 -2.4983 -2.4983 -2.4970 -2.4970 -1.2912 -1.2912 -1.2885 -1.2885 2.5317 2.5317 2.5356 2.5356 2.6961 2.6961 2.7001 2.7001 8.0323 8.0323 8.0344 8.0344 8.4214 8.4214 8.4241 8.4241 9.7476 9.7476 k = 0.0800 0.4396 0.4320 ( 4982 PWs) bands (ev): -22.1357 -22.1357 -22.1357 -22.1357 -19.3015 -19.3015 -19.3012 -19.3012 -15.0140 -15.0140 -15.0139 -15.0139 -6.9255 -6.9255 -6.9195 -6.9195 -6.1462 -6.1462 -6.1106 -6.1106 -6.0444 -6.0444 -6.0168 -6.0168 -3.4975 -3.4975 -3.4970 -3.4970 -3.4029 -3.4029 -3.3989 -3.3989 -2.5028 -2.5028 -2.5014 -2.5014 -1.2886 -1.2886 -1.2856 -1.2856 2.5290 2.5290 2.5334 2.5334 2.6953 2.6953 2.6997 2.6997 8.0436 8.0436 8.0459 8.0459 8.4200 8.4200 8.4228 8.4228 9.7517 9.7517 k = 0.0900 0.4311 0.4450 ( 4974 PWs) bands (ev): -22.1357 -22.1357 -22.1357 -22.1357 -19.3016 -19.3016 -19.3013 -19.3013 -15.0139 -15.0139 -15.0137 -15.0137 -6.9265 -6.9265 -6.9201 -6.9201 -6.1502 -6.1502 -6.1151 -6.1151 -6.0392 -6.0392 -6.0126 -6.0126 -3.4973 -3.4973 -3.4969 -3.4969 -3.3996 -3.3996 -3.3955 -3.3955 -2.5075 -2.5075 -2.5060 -2.5060 -1.2857 -1.2857 -1.2825 -1.2825 2.5265 2.5265 2.5313 2.5313 2.6940 2.6940 2.6988 2.6988 8.0558 8.0558 8.0581 8.0581 8.4186 8.4186 8.4214 8.4214 9.7570 9.7570 k = 0.1000 0.4227 0.4581 ( 4980 PWs) bands (ev): -22.1356 -22.1356 -22.1356 -22.1356 -19.3017 -19.3017 -19.3014 -19.3014 -15.0138 -15.0138 -15.0136 -15.0136 -6.9275 -6.9275 -6.9207 -6.9207 -6.1539 -6.1539 -6.1196 -6.1196 -6.0339 -6.0339 -6.0086 -6.0086 -3.4966 -3.4966 -3.4964 -3.4964 -3.3966 -3.3966 -3.3925 -3.3925 -2.5124 -2.5124 -2.5109 -2.5109 -1.2827 -1.2827 -1.2794 -1.2794 2.5243 2.5243 2.5295 2.5295 2.6921 2.6921 2.6974 2.6974 8.0686 8.0686 8.0709 8.0709 8.4174 8.4174 8.4202 8.4202 9.7637 9.7637 k = 0.1100 0.4142 0.4712 ( 4986 PWs) bands (ev): -22.1356 -22.1356 -22.1356 -22.1356 -19.3018 -19.3018 -19.3016 -19.3016 -15.0137 -15.0137 -15.0135 -15.0135 -6.9284 -6.9284 -6.9215 -6.9215 -6.1573 -6.1573 -6.1242 -6.1242 -6.0287 -6.0287 -6.0048 -6.0048 -3.4954 -3.4954 -3.4953 -3.4953 -3.3940 -3.3940 -3.3899 -3.3899 -2.5175 -2.5175 -2.5160 -2.5160 -1.2796 -1.2796 -1.2761 -1.2761 2.5226 2.5226 2.5282 2.5282 2.6897 2.6897 2.6953 2.6953 8.0819 8.0819 8.0840 8.0840 8.4165 8.4165 8.4190 8.4190 9.7720 9.7720 k = 0.1200 0.4058 0.4843 ( 4984 PWs) bands (ev): -22.1355 -22.1355 -22.1355 -22.1355 -19.3019 -19.3019 -19.3017 -19.3017 -15.0135 -15.0135 -15.0134 -15.0134 -6.9294 -6.9294 -6.9223 -6.9223 -6.1604 -6.1604 -6.1286 -6.1286 -6.0236 -6.0236 -6.0012 -6.0012 -3.4937 -3.4937 -3.4935 -3.4935 -3.3918 -3.3918 -3.3879 -3.3879 -2.5226 -2.5226 -2.5211 -2.5211 -1.2763 -1.2763 -1.2729 -1.2729 2.5214 2.5214 2.5273 2.5273 2.6867 2.6867 2.6927 2.6927 8.0953 8.0953 8.0972 8.0972 8.4159 8.4159 8.4181 8.4181 9.7821 9.7822 k = 0.1300 0.3973 0.4974 ( 4980 PWs) bands (ev): -22.1355 -22.1355 -22.1355 -22.1355 -19.3020 -19.3020 -19.3018 -19.3018 -15.0134 -15.0134 -15.0133 -15.0133 -6.9302 -6.9302 -6.9232 -6.9232 -6.1631 -6.1631 -6.1330 -6.1330 -6.0187 -6.0187 -5.9980 -5.9980 -3.4915 -3.4915 -3.4912 -3.4912 -3.3902 -3.3902 -3.3864 -3.3864 -2.5277 -2.5277 -2.5262 -2.5262 -1.2731 -1.2731 -1.2697 -1.2697 2.5209 2.5209 2.5270 2.5270 2.6832 2.6832 2.6894 2.6894 8.1085 8.1085 8.1101 8.1101 8.4156 8.4156 8.4175 8.4175 9.7943 9.7944 k = 0.1400 0.3889 0.5105 ( 4980 PWs) bands (ev): -22.1355 -22.1355 -22.1355 -22.1355 -19.3021 -19.3021 -19.3019 -19.3019 -15.0133 -15.0133 -15.0131 -15.0131 -6.9310 -6.9310 -6.9241 -6.9241 -6.1655 -6.1655 -6.1372 -6.1372 -6.0141 -6.0141 -5.9950 -5.9950 -3.4888 -3.4888 -3.4883 -3.4883 -3.3891 -3.3891 -3.3855 -3.3855 -2.5326 -2.5326 -2.5312 -2.5312 -1.2699 -1.2699 -1.2666 -1.2666 2.5209 2.5209 2.5273 2.5273 2.6791 2.6791 2.6855 2.6855 8.1214 8.1214 8.1226 8.1226 8.4159 8.4159 8.4172 8.4172 9.8086 9.8087 k = 0.1500 0.3805 0.5236 ( 4976 PWs) bands (ev): -22.1354 -22.1354 -22.1354 -22.1354 -19.3023 -19.3023 -19.3020 -19.3020 -15.0131 -15.0131 -15.0130 -15.0130 -6.9318 -6.9318 -6.9251 -6.9251 -6.1676 -6.1676 -6.1413 -6.1413 -6.0097 -6.0097 -5.9923 -5.9923 -3.4856 -3.4856 -3.4850 -3.4850 -3.3887 -3.3887 -3.3853 -3.3853 -2.5374 -2.5374 -2.5360 -2.5360 -1.2668 -1.2668 -1.2636 -1.2636 2.5216 2.5216 2.5281 2.5281 2.6745 2.6745 2.6811 2.6811 8.1336 8.1336 8.1344 8.1344 8.4166 8.4166 8.4175 8.4175 9.8253 9.8253 k = 0.1600 0.3720 0.5367 ( 4972 PWs) bands (ev): -22.1354 -22.1354 -22.1354 -22.1354 -19.3024 -19.3024 -19.3021 -19.3021 -15.0130 -15.0130 -15.0129 -15.0129 -6.9324 -6.9324 -6.9261 -6.9261 -6.1693 -6.1693 -6.1452 -6.1452 -6.0055 -6.0055 -5.9899 -5.9899 -3.4819 -3.4819 -3.4812 -3.4812 -3.3889 -3.3889 -3.3858 -3.3858 -2.5418 -2.5418 -2.5406 -2.5406 -1.2639 -1.2639 -1.2608 -1.2608 2.5229 2.5229 2.5296 2.5296 2.6694 2.6694 2.6762 2.6762 8.1449 8.1449 8.1453 8.1453 8.4177 8.4177 8.4181 8.4181 9.8443 9.8443 k = 0.1700 0.3636 0.5498 ( 4966 PWs) bands (ev): -22.1353 -22.1353 -22.1353 -22.1353 -19.3025 -19.3025 -19.3022 -19.3022 -15.0129 -15.0129 -15.0128 -15.0128 -6.9330 -6.9330 -6.9271 -6.9271 -6.1706 -6.1706 -6.1489 -6.1489 -6.0017 -6.0017 -5.9878 -5.9878 -3.4778 -3.4778 -3.4770 -3.4770 -3.3897 -3.3897 -3.3869 -3.3869 -2.5460 -2.5460 -2.5448 -2.5448 -1.2611 -1.2611 -1.2583 -1.2583 2.5248 2.5248 2.5316 2.5316 2.6641 2.6641 2.6709 2.6709 8.1551 8.1551 8.1552 8.1552 8.4192 8.4192 8.4193 8.4193 9.8657 9.8659 k = 0.1800 0.3551 0.5629 ( 4966 PWs) bands (ev): -22.1353 -22.1353 -22.1353 -22.1353 -19.3026 -19.3026 -19.3023 -19.3023 -15.0128 -15.0128 -15.0127 -15.0127 -6.9334 -6.9334 -6.9280 -6.9280 -6.1717 -6.1717 -6.1523 -6.1523 -5.9982 -5.9982 -5.9860 -5.9860 -3.4733 -3.4733 -3.4726 -3.4726 -3.3911 -3.3911 -3.3886 -3.3886 -2.5497 -2.5497 -2.5487 -2.5487 -1.2585 -1.2585 -1.2560 -1.2560 2.5273 2.5273 2.5340 2.5340 2.6585 2.6585 2.6653 2.6653 8.1638 8.1638 8.1641 8.1641 8.4207 8.4207 8.4212 8.4212 9.8898 9.8898 k = 0.1900 0.3467 0.5759 ( 4964 PWs) bands (ev): -22.1353 -22.1353 -22.1353 -22.1353 -19.3026 -19.3026 -19.3024 -19.3024 -15.0127 -15.0127 -15.0126 -15.0126 -6.9337 -6.9337 -6.9290 -6.9290 -6.1723 -6.1723 -6.1556 -6.1556 -5.9950 -5.9950 -5.9846 -5.9846 -3.4686 -3.4686 -3.4679 -3.4679 -3.3930 -3.3930 -3.3908 -3.3908 -2.5530 -2.5530 -2.5521 -2.5521 -1.2562 -1.2562 -1.2539 -1.2539 2.5303 2.5303 2.5367 2.5367 2.6530 2.6530 2.6595 2.6595 8.1712 8.1712 8.1718 8.1718 8.4225 8.4225 8.4232 8.4232 9.9163 9.9164 k = 0.2000 0.3382 0.5890 ( 4966 PWs) bands (ev): -22.1353 -22.1353 -22.1353 -22.1353 -19.3027 -19.3027 -19.3025 -19.3025 -15.0126 -15.0126 -15.0125 -15.0125 -6.9339 -6.9339 -6.9299 -6.9299 -6.1727 -6.1727 -6.1585 -6.1585 -5.9921 -5.9921 -5.9835 -5.9835 -3.4639 -3.4639 -3.4632 -3.4632 -3.3953 -3.3953 -3.3935 -3.3935 -2.5559 -2.5559 -2.5551 -2.5551 -1.2542 -1.2542 -1.2522 -1.2522 2.5335 2.5335 2.5396 2.5396 2.6476 2.6476 2.6537 2.6537 8.1774 8.1774 8.1781 8.1781 8.4244 8.4244 8.4253 8.4253 9.9454 9.9456 k = 0.2100 0.3298 0.6021 ( 4964 PWs) bands (ev): -22.1352 -22.1352 -22.1352 -22.1352 -19.3028 -19.3028 -19.3025 -19.3025 -15.0126 -15.0126 -15.0124 -15.0124 -6.9340 -6.9340 -6.9307 -6.9307 -6.1726 -6.1726 -6.1613 -6.1613 -5.9896 -5.9896 -5.9827 -5.9827 -3.4592 -3.4592 -3.4586 -3.4586 -3.3979 -3.3979 -3.3964 -3.3964 -2.5582 -2.5582 -2.5576 -2.5576 -1.2524 -1.2524 -1.2508 -1.2508 2.5370 2.5370 2.5424 2.5424 2.6427 2.6427 2.6482 2.6482 8.1824 8.1824 8.1832 8.1832 8.4264 8.4264 8.4273 8.4273 9.9769 9.9772 k = 0.2200 0.3213 0.6152 ( 4958 PWs) bands (ev): -22.1352 -22.1352 -22.1352 -22.1352 -19.3028 -19.3028 -19.3026 -19.3026 -15.0125 -15.0125 -15.0124 -15.0124 -6.9340 -6.9340 -6.9315 -6.9315 -6.1723 -6.1723 -6.1637 -6.1637 -5.9875 -5.9875 -5.9823 -5.9823 -3.4548 -3.4548 -3.4544 -3.4544 -3.4005 -3.4005 -3.3994 -3.3994 -2.5601 -2.5601 -2.5596 -2.5596 -1.2510 -1.2510 -1.2498 -1.2498 2.5404 2.5404 2.5449 2.5449 2.6386 2.6386 2.6432 2.6432 8.1863 8.1863 8.1870 8.1870 8.4282 8.4282 8.4290 8.4290 10.0108 10.0109 k = 0.2300 0.3129 0.6283 ( 4962 PWs) bands (ev): -22.1352 -22.1352 -22.1352 -22.1352 -19.3029 -19.3029 -19.3026 -19.3026 -15.0125 -15.0125 -15.0123 -15.0123 -6.9339 -6.9339 -6.9322 -6.9322 -6.1716 -6.1716 -6.1659 -6.1659 -5.9857 -5.9857 -5.9823 -5.9823 -3.4512 -3.4512 -3.4509 -3.4509 -3.4029 -3.4029 -3.4021 -3.4021 -2.5614 -2.5614 -2.5611 -2.5611 -1.2499 -1.2499 -1.2491 -1.2491 2.5434 2.5434 2.5467 2.5467 2.6356 2.6356 2.6390 2.6390 8.1890 8.1890 8.1895 8.1895 8.4296 8.4296 8.4303 8.4303 10.0466 10.0467 k = 0.2400 0.3044 0.6414 ( 4958 PWs) bands (ev): -22.1352 -22.1352 -22.1352 -22.1352 -19.3029 -19.3029 -19.3026 -19.3026 -15.0125 -15.0125 -15.0123 -15.0123 -6.9336 -6.9336 -6.9328 -6.9328 -6.1707 -6.1707 -6.1678 -6.1678 -5.9843 -5.9843 -5.9826 -5.9826 -3.4487 -3.4487 -3.4485 -3.4485 -3.4045 -3.4045 -3.4041 -3.4041 -2.5621 -2.5621 -2.5620 -2.5620 -1.2492 -1.2492 -1.2487 -1.2487 2.5457 2.5457 2.5475 2.5475 2.6341 2.6341 2.6358 2.6358 8.1907 8.1907 8.1910 8.1910 8.4306 8.4306 8.4310 8.4310 10.0837 10.0837 k = 0.2500 0.2960 0.6545 ( 4964 PWs) bands (ev): -22.1352 -22.1352 -22.1352 -22.1352 -19.3029 -19.3029 -19.3027 -19.3027 -15.0125 -15.0125 -15.0123 -15.0123 -6.9332 -6.9332 -6.9332 -6.9332 -6.1694 -6.1694 -6.1694 -6.1694 -5.9833 -5.9833 -5.9833 -5.9833 -3.4478 -3.4478 -3.4476 -3.4476 -3.4051 -3.4051 -3.4049 -3.4049 -2.5624 -2.5624 -2.5623 -2.5623 -1.2488 -1.2488 -1.2487 -1.2487 2.5471 2.5471 2.5472 2.5472 2.6341 2.6341 2.6342 2.6342 8.1913 8.1913 8.1914 8.1914 8.4311 8.4311 8.4311 8.4311 10.1115 10.1116 k = 0.2500 0.2960 0.6545 ( 4964 PWs) bands (ev): -22.1352 -22.1352 -22.1352 -22.1352 -19.3029 -19.3029 -19.3027 -19.3027 -15.0125 -15.0125 -15.0123 -15.0123 -6.9332 -6.9332 -6.9332 -6.9332 -6.1694 -6.1694 -6.1694 -6.1694 -5.9833 -5.9833 -5.9833 -5.9833 -3.4478 -3.4478 -3.4476 -3.4476 -3.4051 -3.4051 -3.4049 -3.4049 -2.5624 -2.5624 -2.5623 -2.5623 -1.2488 -1.2488 -1.2487 -1.2487 2.5471 2.5471 2.5472 2.5472 2.6341 2.6341 2.6342 2.6342 8.1913 8.1913 8.1914 8.1914 8.4311 8.4311 8.4311 8.4311 10.1116 10.1116 k = 0.2576 0.3050 0.6406 ( 4956 PWs) bands (ev): -22.1365 -22.1365 -22.1339 -22.1339 -19.3035 -19.3035 -19.3020 -19.3020 -15.0125 -15.0125 -15.0123 -15.0123 -6.9371 -6.9371 -6.9295 -6.9295 -6.1766 -6.1766 -6.1622 -6.1622 -5.9849 -5.9849 -5.9813 -5.9813 -3.4518 -3.4518 -3.4449 -3.4449 -3.4096 -3.4096 -3.3993 -3.3993 -2.5697 -2.5697 -2.5547 -2.5547 -1.2540 -1.2540 -1.2437 -1.2437 2.5389 2.5389 2.5547 2.5547 2.6267 2.6267 2.6425 2.6425 8.1688 8.1688 8.2129 8.2129 8.4250 8.4250 8.4370 8.4370 10.0834 10.0834 k = 0.2652 0.3139 0.6267 ( 4961 PWs) bands (ev): -22.1378 -22.1378 -22.1326 -22.1326 -19.3042 -19.3042 -19.3013 -19.3013 -15.0127 -15.0127 -15.0121 -15.0121 -6.9410 -6.9410 -6.9260 -6.9260 -6.1838 -6.1838 -6.1554 -6.1554 -5.9860 -5.9860 -5.9790 -5.9790 -3.4560 -3.4560 -3.4450 -3.4450 -3.4122 -3.4122 -3.3930 -3.3930 -2.5771 -2.5771 -2.5465 -2.5465 -1.2591 -1.2591 -1.2391 -1.2391 2.5311 2.5311 2.5603 2.5603 2.6204 2.6204 2.6516 2.6516 8.1467 8.1467 8.2312 8.2312 8.4187 8.4187 8.4427 8.4427 10.0483 10.0483 k = 0.2727 0.3229 0.6128 ( 4963 PWs) bands (ev): -22.1391 -22.1391 -22.1314 -22.1314 -19.3048 -19.3048 -19.3007 -19.3007 -15.0128 -15.0128 -15.0120 -15.0120 -6.9450 -6.9450 -6.9227 -6.9227 -6.1910 -6.1910 -6.1489 -6.1489 -5.9867 -5.9867 -5.9764 -5.9764 -3.4601 -3.4601 -3.4481 -3.4481 -3.4126 -3.4126 -3.3864 -3.3864 -2.5845 -2.5845 -2.5378 -2.5378 -1.2639 -1.2639 -1.2349 -1.2349 2.5237 2.5237 2.5638 2.5638 2.6156 2.6156 2.6611 2.6611 8.1252 8.1252 8.2454 8.2454 8.4121 8.4121 8.4485 8.4485 10.0119 10.0119 k = 0.2803 0.3319 0.5989 ( 4965 PWs) bands (ev): -22.1403 -22.1403 -22.1301 -22.1301 -19.3054 -19.3054 -19.3000 -19.3000 -15.0130 -15.0130 -15.0119 -15.0119 -6.9490 -6.9490 -6.9196 -6.9196 -6.1979 -6.1979 -6.1430 -6.1430 -5.9870 -5.9870 -5.9732 -5.9732 -3.4642 -3.4642 -3.4532 -3.4532 -3.4117 -3.4117 -3.3796 -3.3796 -2.5918 -2.5918 -2.5287 -2.5287 -1.2684 -1.2684 -1.2313 -1.2313 2.5168 2.5168 2.5652 2.5652 2.6125 2.6125 2.6706 2.6706 8.1047 8.1047 8.2550 8.2550 8.4048 8.4048 8.4547 8.4547 9.9748 9.9748 k = 0.2879 0.3408 0.5850 ( 4969 PWs) bands (ev): -22.1415 -22.1415 -22.1289 -22.1289 -19.3059 -19.3059 -19.2994 -19.2994 -15.0132 -15.0132 -15.0118 -15.0118 -6.9531 -6.9531 -6.9168 -6.9168 -6.2047 -6.2047 -6.1378 -6.1378 -5.9868 -5.9868 -5.9695 -5.9695 -3.4682 -3.4682 -3.4593 -3.4593 -3.4100 -3.4100 -3.3727 -3.3727 -2.5988 -2.5988 -2.5194 -2.5194 -1.2725 -1.2725 -1.2280 -1.2280 2.5104 2.5104 2.5648 2.5648 2.6111 2.6111 2.6798 2.6798 8.0853 8.0853 8.2596 8.2596 8.3963 8.3963 8.4611 8.4611 9.9371 9.9371 k = 0.2955 0.3498 0.5711 ( 4971 PWs) bands (ev): -22.1427 -22.1427 -22.1278 -22.1278 -19.3065 -19.3065 -19.2989 -19.2989 -15.0134 -15.0134 -15.0117 -15.0117 -6.9573 -6.9573 -6.9142 -6.9142 -6.2112 -6.2112 -6.1335 -6.1335 -5.9863 -5.9863 -5.9651 -5.9651 -3.4724 -3.4724 -3.4658 -3.4658 -3.4082 -3.4082 -3.3659 -3.3659 -2.6054 -2.6054 -2.5100 -2.5100 -1.2761 -1.2761 -1.2251 -1.2251 2.5047 2.5047 2.5627 2.5627 2.6111 2.6111 2.6884 2.6884 8.0672 8.0672 8.2594 8.2594 8.3863 8.3863 8.4677 8.4677 9.8987 9.8987 k = 0.3030 0.3588 0.5572 ( 4967 PWs) bands (ev): -22.1438 -22.1438 -22.1266 -22.1266 -19.3069 -19.3069 -19.2984 -19.2984 -15.0136 -15.0136 -15.0116 -15.0116 -6.9616 -6.9616 -6.9118 -6.9118 -6.2173 -6.2173 -6.1300 -6.1300 -5.9855 -5.9855 -5.9600 -5.9600 -3.4774 -3.4774 -3.4715 -3.4715 -3.4064 -3.4064 -3.3591 -3.3591 -2.6116 -2.6116 -2.5005 -2.5005 -1.2792 -1.2792 -1.2225 -1.2225 2.4996 2.4996 2.5597 2.5597 2.6123 2.6123 2.6961 2.6961 8.0505 8.0505 8.2548 8.2548 8.3744 8.3744 8.4736 8.4736 9.8595 9.8595 k = 0.3106 0.3677 0.5433 ( 4977 PWs) bands (ev): -22.1449 -22.1449 -22.1255 -22.1255 -19.3073 -19.3073 -19.2979 -19.2979 -15.0139 -15.0139 -15.0116 -15.0116 -6.9660 -6.9660 -6.9097 -6.9097 -6.2231 -6.2231 -6.1276 -6.1276 -5.9843 -5.9843 -5.9542 -5.9542 -3.4838 -3.4838 -3.4758 -3.4758 -3.4047 -3.4047 -3.3525 -3.3525 -2.6172 -2.6172 -2.4911 -2.4911 -1.2819 -1.2819 -1.2202 -1.2202 2.4953 2.4953 2.5561 2.5561 2.6142 2.6142 2.7026 2.7026 8.0353 8.0353 8.2464 8.2464 8.3601 8.3601 8.4785 8.4785 9.8194 9.8194 k = 0.3182 0.3767 0.5294 ( 4981 PWs) bands (ev): -22.1459 -22.1459 -22.1245 -22.1245 -19.3077 -19.3077 -19.2975 -19.2975 -15.0141 -15.0141 -15.0116 -15.0116 -6.9705 -6.9705 -6.9079 -6.9079 -6.2285 -6.2285 -6.1261 -6.1261 -5.9829 -5.9829 -5.9476 -5.9476 -3.4910 -3.4910 -3.4789 -3.4789 -3.4033 -3.4033 -3.3462 -3.3462 -2.6222 -2.6222 -2.4820 -2.4820 -1.2840 -1.2840 -1.2180 -1.2180 2.4918 2.4918 2.5520 2.5520 2.6167 2.6167 2.7081 2.7081 8.0219 8.0219 8.2348 8.2348 8.3434 8.3434 8.4813 8.4813 9.7783 9.7783 k = 0.3258 0.3857 0.5155 ( 4981 PWs) bands (ev): -22.1469 -22.1469 -22.1235 -22.1235 -19.3080 -19.3080 -19.2971 -19.2971 -15.0143 -15.0143 -15.0116 -15.0116 -6.9750 -6.9750 -6.9063 -6.9063 -6.2334 -6.2334 -6.1256 -6.1256 -5.9812 -5.9812 -5.9403 -5.9403 -3.4987 -3.4987 -3.4814 -3.4814 -3.4021 -3.4021 -3.3400 -3.3400 -2.6263 -2.6263 -2.4731 -2.4731 -1.2855 -1.2855 -1.2161 -1.2161 2.4891 2.4891 2.5475 2.5475 2.6196 2.6196 2.7124 2.7124 8.0102 8.0102 8.2204 8.2204 8.3243 8.3243 8.4819 8.4819 9.7362 9.7362 k = 0.3333 0.3947 0.5016 ( 4975 PWs) bands (ev): -22.1479 -22.1479 -22.1225 -22.1225 -19.3082 -19.3082 -19.2968 -19.2968 -15.0146 -15.0146 -15.0117 -15.0117 -6.9797 -6.9797 -6.9049 -6.9049 -6.2378 -6.2378 -6.1260 -6.1260 -5.9792 -5.9792 -5.9324 -5.9324 -3.5066 -3.5066 -3.4834 -3.4834 -3.4011 -3.4011 -3.3340 -3.3340 -2.6297 -2.6297 -2.4646 -2.4646 -1.2865 -1.2865 -1.2142 -1.2142 2.4872 2.4872 2.5426 2.5426 2.6230 2.6230 2.7156 2.7156 8.0004 8.0004 8.2037 8.2037 8.3028 8.3028 8.4796 8.4796 9.6930 9.6930 k = 0.3409 0.4036 0.4877 ( 4975 PWs) bands (ev): -22.1488 -22.1488 -22.1216 -22.1216 -19.3084 -19.3084 -19.2965 -19.2965 -15.0148 -15.0148 -15.0118 -15.0118 -6.9844 -6.9844 -6.9039 -6.9039 -6.2418 -6.2418 -6.1273 -6.1273 -5.9771 -5.9771 -5.9240 -5.9240 -3.5146 -3.5146 -3.4850 -3.4850 -3.4005 -3.4005 -3.3282 -3.3282 -2.6321 -2.6321 -2.4567 -2.4567 -1.2868 -1.2868 -1.2124 -1.2124 2.4863 2.4863 2.5371 2.5371 2.6269 2.6269 2.7177 2.7177 7.9925 7.9925 8.1847 8.1847 8.2792 8.2792 8.4744 8.4744 9.6488 9.6488 k = 0.3485 0.4126 0.4738 ( 4979 PWs) bands (ev): -22.1496 -22.1496 -22.1207 -22.1207 -19.3086 -19.3086 -19.2963 -19.2963 -15.0150 -15.0150 -15.0119 -15.0119 -6.9892 -6.9892 -6.9030 -6.9030 -6.2453 -6.2453 -6.1294 -6.1294 -5.9748 -5.9748 -5.9153 -5.9153 -3.5228 -3.5228 -3.4860 -3.4860 -3.4002 -3.4002 -3.3226 -3.3226 -2.6336 -2.6336 -2.4493 -2.4493 -1.2865 -1.2865 -1.2106 -1.2106 2.4862 2.4862 2.5306 2.5306 2.6315 2.6315 2.7188 2.7188 7.9864 7.9864 8.1635 8.1635 8.2536 8.2536 8.4662 8.4662 9.6037 9.6037 k = 0.3561 0.4216 0.4599 ( 4981 PWs) bands (ev): -22.1504 -22.1504 -22.1198 -22.1198 -19.3087 -19.3087 -19.2961 -19.2961 -15.0152 -15.0152 -15.0120 -15.0120 -6.9939 -6.9939 -6.9025 -6.9025 -6.2484 -6.2484 -6.1321 -6.1321 -5.9722 -5.9722 -5.9062 -5.9062 -3.5311 -3.5311 -3.4867 -3.4867 -3.4002 -3.4002 -3.3172 -3.3172 -2.6341 -2.6341 -2.4426 -2.4426 -1.2857 -1.2857 -1.2087 -1.2087 2.4869 2.4869 2.5230 2.5230 2.6368 2.6368 2.7191 2.7191 7.9822 7.9822 8.1403 8.1403 8.2264 8.2264 8.4551 8.4551 9.5576 9.5576 k = 0.3636 0.4305 0.4460 ( 4975 PWs) bands (ev): -22.1512 -22.1512 -22.1190 -22.1190 -19.3088 -19.3088 -19.2960 -19.2960 -15.0155 -15.0155 -15.0122 -15.0122 -6.9987 -6.9987 -6.9021 -6.9021 -6.2509 -6.2509 -6.1353 -6.1353 -5.9695 -5.9695 -5.8971 -5.8971 -3.5397 -3.5397 -3.4868 -3.4868 -3.4004 -3.4004 -3.3119 -3.3119 -2.6336 -2.6336 -2.4366 -2.4366 -1.2841 -1.2841 -1.2067 -1.2067 2.4884 2.4884 2.5141 2.5141 2.6430 2.6430 2.7188 2.7188 7.9797 7.9797 8.1151 8.1151 8.1981 8.1981 8.4415 8.4415 9.5106 9.5106 k = 0.3712 0.4395 0.4321 ( 4976 PWs) bands (ev): -22.1519 -22.1519 -22.1182 -22.1182 -19.3088 -19.3088 -19.2960 -19.2960 -15.0157 -15.0157 -15.0124 -15.0124 -7.0035 -7.0035 -6.9020 -6.9020 -6.2530 -6.2530 -6.1391 -6.1391 -5.9666 -5.9666 -5.8879 -5.8879 -3.5485 -3.5485 -3.4865 -3.4865 -3.4010 -3.4010 -3.3067 -3.3067 -2.6320 -2.6320 -2.4314 -2.4314 -1.2820 -1.2820 -1.2047 -1.2047 2.4904 2.4904 2.5041 2.5041 2.6501 2.6501 2.7181 2.7181 7.9790 7.9790 8.0877 8.0877 8.1689 8.1689 8.4256 8.4256 9.4630 9.4630 k = 0.3788 0.4485 0.4182 ( 4981 PWs) bands (ev): -22.1525 -22.1525 -22.1175 -22.1175 -19.3087 -19.3087 -19.2960 -19.2960 -15.0159 -15.0159 -15.0126 -15.0126 -7.0082 -7.0082 -6.9022 -6.9022 -6.2546 -6.2546 -6.1432 -6.1432 -5.9636 -5.9636 -5.8787 -5.8787 -3.5575 -3.5575 -3.4858 -3.4858 -3.4017 -3.4017 -3.3016 -3.3016 -2.6295 -2.6295 -2.4270 -2.4270 -1.2793 -1.2793 -1.2024 -1.2024 2.4876 2.4876 2.4978 2.4978 2.6582 2.6582 2.7172 2.7172 7.9797 7.9797 8.0584 8.0584 8.1391 8.1391 8.4078 8.4078 9.4149 9.4149 k = 0.3864 0.4574 0.4043 ( 4983 PWs) bands (ev): -22.1531 -22.1531 -22.1169 -22.1169 -19.3087 -19.3087 -19.2961 -19.2961 -15.0162 -15.0162 -15.0128 -15.0128 -7.0128 -7.0128 -6.9025 -6.9025 -6.2558 -6.2558 -6.1476 -6.1476 -5.9604 -5.9604 -5.8698 -5.8698 -3.5668 -3.5668 -3.4846 -3.4846 -3.4026 -3.4026 -3.2967 -3.2967 -2.6261 -2.6261 -2.4234 -2.4234 -1.2760 -1.2760 -1.2001 -1.2001 2.4748 2.4748 2.5005 2.5005 2.6672 2.6672 2.7162 2.7162 7.9819 7.9819 8.0273 8.0273 8.1090 8.1090 8.3885 8.3885 9.3664 9.3664 k = 0.3939 0.4664 0.3904 ( 4975 PWs) bands (ev): -22.1536 -22.1536 -22.1162 -22.1162 -19.3085 -19.3085 -19.2962 -19.2962 -15.0164 -15.0164 -15.0131 -15.0131 -7.0174 -7.0174 -6.9031 -6.9031 -6.2566 -6.2566 -6.1522 -6.1522 -5.9571 -5.9571 -5.8610 -5.8610 -3.5764 -3.5764 -3.4829 -3.4829 -3.4036 -3.4036 -3.2918 -3.2918 -2.6217 -2.6217 -2.4206 -2.4206 -1.2721 -1.2721 -1.1975 -1.1975 2.4587 2.4587 2.5054 2.5054 2.6771 2.6771 2.7155 2.7155 7.9848 7.9848 7.9948 7.9948 8.0788 8.0788 8.3681 8.3681 9.3177 9.3177 k = 0.4015 0.4754 0.3765 ( 4971 PWs) bands (ev): -22.1541 -22.1541 -22.1157 -22.1157 -19.3084 -19.3084 -19.2963 -19.2963 -15.0166 -15.0166 -15.0133 -15.0133 -7.0218 -7.0218 -6.9039 -6.9039 -6.2570 -6.2570 -6.1570 -6.1570 -5.9536 -5.9536 -5.8527 -5.8527 -3.5862 -3.5862 -3.4809 -3.4809 -3.4046 -3.4046 -3.2871 -3.2871 -2.6166 -2.6166 -2.4186 -2.4186 -1.2677 -1.2677 -1.1948 -1.1948 2.4406 2.4406 2.5113 2.5113 2.6874 2.6874 2.7153 2.7153 7.9596 7.9596 7.9902 7.9902 8.0487 8.0487 8.3469 8.3469 9.2690 9.2690 k = 0.4091 0.4843 0.3626 ( 4971 PWs) bands (ev): -22.1545 -22.1545 -22.1152 -22.1152 -19.3082 -19.3082 -19.2965 -19.2965 -15.0168 -15.0168 -15.0137 -15.0137 -7.0260 -7.0260 -6.9048 -6.9048 -6.2571 -6.2571 -6.1619 -6.1619 -5.9501 -5.9501 -5.8447 -5.8447 -3.5963 -3.5963 -3.4785 -3.4785 -3.4057 -3.4057 -3.2825 -3.2825 -2.6107 -2.6107 -2.4174 -2.4174 -1.2628 -1.2628 -1.1918 -1.1918 2.4207 2.4207 2.5179 2.5179 2.6970 2.6970 2.7169 2.7169 7.9241 7.9241 7.9954 7.9954 8.0186 8.0186 8.3253 8.3253 9.2207 9.2207 k = 0.4167 0.4933 0.3487 ( 4967 PWs) bands (ev): -22.1549 -22.1549 -22.1147 -22.1147 -19.3079 -19.3079 -19.2968 -19.2968 -15.0170 -15.0170 -15.0140 -15.0140 -7.0300 -7.0300 -6.9060 -6.9060 -6.2569 -6.2569 -6.1668 -6.1668 -5.9464 -5.9464 -5.8372 -5.8372 -3.6067 -3.6067 -3.4758 -3.4758 -3.4067 -3.4067 -3.2780 -3.2780 -2.6043 -2.6043 -2.4169 -2.4169 -1.2574 -1.2574 -1.1887 -1.1887 2.3993 2.3993 2.5252 2.5252 2.7031 2.7031 2.7229 2.7229 7.8878 7.8878 7.9883 7.9883 8.0017 8.0017 8.3037 8.3037 9.1728 9.1728 k = 0.4242 0.5023 0.3348 ( 4969 PWs) bands (ev): -22.1552 -22.1552 -22.1143 -22.1143 -19.3077 -19.3077 -19.2971 -19.2971 -15.0172 -15.0172 -15.0143 -15.0143 -7.0337 -7.0337 -6.9073 -6.9073 -6.2564 -6.2564 -6.1717 -6.1717 -5.9427 -5.9427 -5.8302 -5.8302 -3.6172 -3.6172 -3.4728 -3.4728 -3.4077 -3.4077 -3.2737 -3.2737 -2.5975 -2.5975 -2.4171 -2.4171 -1.2516 -1.2516 -1.1854 -1.1854 2.3765 2.3765 2.5331 2.5331 2.7051 2.7051 2.7340 2.7340 7.8509 7.8509 7.9588 7.9588 8.0080 8.0080 8.2823 8.2823 9.1257 9.1257 k = 0.4318 0.5113 0.3209 ( 4971 PWs) bands (ev): -22.1554 -22.1554 -22.1139 -22.1139 -19.3074 -19.3074 -19.2974 -19.2974 -15.0174 -15.0174 -15.0147 -15.0147 -7.0372 -7.0372 -6.9087 -6.9087 -6.2557 -6.2557 -6.1765 -6.1765 -5.9388 -5.9388 -5.8237 -5.8237 -3.6278 -3.6278 -3.4696 -3.4696 -3.4085 -3.4085 -3.2696 -3.2696 -2.5903 -2.5903 -2.4179 -2.4179 -1.2454 -1.2454 -1.1820 -1.1820 2.3527 2.3527 2.5416 2.5416 2.7054 2.7054 2.7475 2.7475 7.8139 7.8139 7.9294 7.9294 8.0146 8.0146 8.2613 8.2613 9.0796 9.0796 k = 0.4394 0.5202 0.3070 ( 4960 PWs) bands (ev): -22.1556 -22.1556 -22.1136 -22.1136 -19.3070 -19.3070 -19.2977 -19.2977 -15.0176 -15.0176 -15.0150 -15.0150 -7.0404 -7.0404 -6.9103 -6.9103 -6.2548 -6.2548 -6.1811 -6.1811 -5.9349 -5.9349 -5.8179 -5.8179 -3.6384 -3.6384 -3.4661 -3.4661 -3.4092 -3.4092 -3.2657 -3.2657 -2.5830 -2.5830 -2.4192 -2.4192 -1.2389 -1.2389 -1.1784 -1.1784 2.3281 2.3281 2.5506 2.5506 2.7053 2.7053 2.7623 2.7623 7.7769 7.7769 7.9005 7.9005 8.0214 8.0214 8.2410 8.2410 9.0347 9.0347 k = 0.4470 0.5292 0.2931 ( 4962 PWs) bands (ev): -22.1558 -22.1558 -22.1134 -22.1134 -19.3066 -19.3066 -19.2981 -19.2981 -15.0178 -15.0178 -15.0153 -15.0153 -7.0432 -7.0432 -6.9120 -6.9120 -6.2537 -6.2537 -6.1856 -6.1856 -5.9310 -5.9310 -5.8127 -5.8127 -3.6491 -3.6491 -3.4625 -3.4625 -3.4097 -3.4097 -3.2621 -3.2621 -2.5758 -2.5758 -2.4209 -2.4209 -1.2321 -1.2321 -1.1748 -1.1748 2.3030 2.3030 2.5599 2.5599 2.7048 2.7048 2.7778 2.7778 7.7403 7.7403 7.8721 7.8721 8.0279 8.0279 8.2216 8.2216 8.9914 8.9914 k = 0.4545 0.5382 0.2792 ( 4960 PWs) bands (ev): -22.1558 -22.1558 -22.1132 -22.1132 -19.3062 -19.3062 -19.2985 -19.2985 -15.0180 -15.0180 -15.0157 -15.0157 -7.0457 -7.0457 -6.9137 -6.9137 -6.2525 -6.2525 -6.1898 -6.1898 -5.9271 -5.9271 -5.8082 -5.8082 -3.6596 -3.6596 -3.4588 -3.4588 -3.4100 -3.4100 -3.2587 -3.2587 -2.5688 -2.5688 -2.4228 -2.4228 -1.2251 -1.2251 -1.1710 -1.1710 2.2776 2.2776 2.5694 2.5694 2.7044 2.7044 2.7938 2.7938 7.7042 7.7042 7.8444 7.8444 8.0342 8.0342 8.2031 8.2031 8.9498 8.9498 k = 0.4621 0.5471 0.2653 ( 4966 PWs) bands (ev): -22.1559 -22.1559 -22.1131 -22.1131 -19.3058 -19.3058 -19.2990 -19.2990 -15.0182 -15.0182 -15.0161 -15.0161 -7.0479 -7.0479 -6.9156 -6.9156 -6.2513 -6.2513 -6.1938 -6.1938 -5.9232 -5.9232 -5.8043 -5.8043 -3.6700 -3.6700 -3.4551 -3.4551 -3.4101 -3.4101 -3.2556 -3.2556 -2.5623 -2.5623 -2.4247 -2.4247 -1.2181 -1.2181 -1.1671 -1.1671 2.2523 2.2523 2.5792 2.5792 2.7039 2.7039 2.8100 2.8100 7.6689 7.6689 7.8176 7.8176 8.0400 8.0400 8.1858 8.1858 8.9101 8.9101 k = 0.4697 0.5561 0.2514 ( 4962 PWs) bands (ev): -22.1558 -22.1558 -22.1130 -22.1130 -19.3054 -19.3054 -19.2994 -19.2994 -15.0184 -15.0184 -15.0164 -15.0164 -7.0496 -7.0496 -6.9175 -6.9175 -6.2499 -6.2499 -6.1975 -6.1975 -5.9193 -5.9193 -5.8012 -5.8012 -3.6800 -3.6800 -3.4514 -3.4514 -3.4100 -3.4100 -3.2528 -3.2528 -2.5564 -2.5564 -2.4266 -2.4266 -1.2110 -1.2110 -1.1632 -1.1632 2.2272 2.2272 2.5891 2.5891 2.7035 2.7035 2.8264 2.8264 7.6347 7.6347 7.7917 7.7917 8.0453 8.0453 8.1696 8.1696 8.8728 8.8728 k = 0.4773 0.5651 0.2375 ( 4970 PWs) bands (ev): -22.1557 -22.1557 -22.1130 -22.1130 -19.3049 -19.3049 -19.2999 -19.2999 -15.0185 -15.0185 -15.0168 -15.0168 -7.0509 -7.0509 -6.9194 -6.9194 -6.2486 -6.2486 -6.2008 -6.2008 -5.9155 -5.9155 -5.7987 -5.7987 -3.6897 -3.6897 -3.4477 -3.4477 -3.4097 -3.4097 -3.2505 -3.2505 -2.5514 -2.5514 -2.4283 -2.4283 -1.2040 -1.2040 -1.1593 -1.1593 2.2027 2.2027 2.5989 2.5989 2.7030 2.7030 2.8427 2.8427 7.6016 7.6016 7.7670 7.7670 8.0500 8.0500 8.1547 8.1547 8.8378 8.8378 k = 0.4848 0.5740 0.2236 ( 4971 PWs) bands (ev): -22.1556 -22.1556 -22.1131 -22.1131 -19.3045 -19.3045 -19.3003 -19.3003 -15.0187 -15.0187 -15.0171 -15.0171 -7.0518 -7.0518 -6.9213 -6.9213 -6.2474 -6.2474 -6.2038 -6.2038 -5.9117 -5.9117 -5.7970 -5.7970 -3.6989 -3.6989 -3.4441 -3.4441 -3.4093 -3.4093 -3.2485 -3.2485 -2.5474 -2.5474 -2.4295 -2.4295 -1.1972 -1.1972 -1.1553 -1.1553 2.1791 2.1791 2.6087 2.6087 2.7025 2.7025 2.8589 2.8589 7.5700 7.5700 7.7436 7.7436 8.0541 8.0541 8.1412 8.1412 8.8055 8.8055 k = 0.4924 0.5830 0.2097 ( 4966 PWs) bands (ev): -22.1554 -22.1554 -22.1132 -22.1132 -19.3040 -19.3040 -19.3008 -19.3008 -15.0188 -15.0188 -15.0174 -15.0174 -7.0523 -7.0523 -6.9232 -6.9232 -6.2462 -6.2462 -6.2063 -6.2063 -5.9081 -5.9081 -5.7961 -5.7961 -3.7076 -3.7076 -3.4407 -3.4407 -3.4086 -3.4086 -3.2469 -3.2469 -2.5447 -2.5447 -2.4302 -2.4302 -1.1906 -1.1906 -1.1513 -1.1513 2.1566 2.1566 2.6183 2.6183 2.7021 2.7021 2.8747 2.8747 7.5399 7.5399 7.7215 7.7215 8.0576 8.0576 8.1291 8.1291 8.7762 8.7762 k = 0.5000 0.5920 0.1958 ( 4956 PWs) bands (ev): -22.1552 -22.1552 -22.1134 -22.1134 -19.3035 -19.3035 -19.3013 -19.3013 -15.0189 -15.0189 -15.0177 -15.0177 -7.0523 -7.0523 -6.9250 -6.9250 -6.2450 -6.2450 -6.2084 -6.2084 -5.9047 -5.9047 -5.7958 -5.7958 -3.7156 -3.7156 -3.4374 -3.4374 -3.4077 -3.4077 -3.2458 -3.2458 -2.5431 -2.5431 -2.4304 -2.4304 -1.1843 -1.1843 -1.1474 -1.1474 2.1354 2.1354 2.6277 2.6277 2.7017 2.7017 2.8900 2.8900 7.5116 7.5116 7.7009 7.7009 8.0606 8.0606 8.1184 8.1184 8.7498 8.7498 k = 0.5000 0.5920 0.1958 ( 4956 PWs) bands (ev): -22.1552 -22.1552 -22.1134 -22.1134 -19.3035 -19.3035 -19.3013 -19.3013 -15.0189 -15.0189 -15.0177 -15.0177 -7.0523 -7.0523 -6.9250 -6.9250 -6.2450 -6.2450 -6.2084 -6.2084 -5.9047 -5.9047 -5.7958 -5.7958 -3.7156 -3.7156 -3.4374 -3.4374 -3.4077 -3.4077 -3.2458 -3.2458 -2.5431 -2.5431 -2.4304 -2.4304 -1.1843 -1.1843 -1.1474 -1.1474 2.1354 2.1354 2.6277 2.6277 2.7017 2.7017 2.8900 2.8900 7.5116 7.5116 7.7009 7.7009 8.0606 8.0606 8.1184 8.1184 8.7498 8.7498 k = 0.5000 0.5920 0.1780 ( 4964 PWs) bands (ev): -22.1549 -22.1549 -22.1136 -22.1136 -19.3029 -19.3029 -19.3019 -19.3019 -15.0191 -15.0191 -15.0181 -15.0181 -7.0520 -7.0520 -6.9274 -6.9274 -6.2439 -6.2439 -6.2104 -6.2104 -5.9004 -5.9004 -5.7960 -5.7960 -3.7251 -3.7251 -3.4338 -3.4338 -3.4064 -3.4064 -3.2447 -3.2447 -2.5429 -2.5429 -2.4297 -2.4297 -1.1768 -1.1768 -1.1423 -1.1423 2.1100 2.1100 2.6390 2.6390 2.7011 2.7011 2.9087 2.9087 7.4778 7.4778 7.6765 7.6765 8.0631 8.0631 8.1062 8.1062 8.7192 8.7192 k = 0.5000 0.5920 0.1602 ( 4960 PWs) bands (ev): -22.1546 -22.1546 -22.1139 -22.1139 -19.3024 -19.3024 -19.3023 -19.3023 -15.0192 -15.0192 -15.0184 -15.0184 -7.0517 -7.0517 -6.9296 -6.9296 -6.2433 -6.2433 -6.2120 -6.2120 -5.8963 -5.8963 -5.7961 -5.7961 -3.7340 -3.7340 -3.4305 -3.4305 -3.4048 -3.4048 -3.2437 -3.2437 -2.5441 -2.5441 -2.4280 -2.4280 -1.1700 -1.1700 -1.1371 -1.1371 2.0865 2.0865 2.6496 2.6496 2.7006 2.7006 2.9263 2.9263 7.4469 7.4469 7.6539 7.6539 8.0641 8.0641 8.0954 8.0954 8.6907 8.6907 k = 0.5000 0.5920 0.1424 ( 4964 PWs) bands (ev): -22.1543 -22.1543 -22.1141 -22.1141 -19.3029 -19.3029 -19.3018 -19.3018 -15.0193 -15.0193 -15.0187 -15.0187 -7.0514 -7.0514 -6.9316 -6.9316 -6.2431 -6.2431 -6.2131 -6.2131 -5.8924 -5.8924 -5.7961 -5.7961 -3.7422 -3.7422 -3.4276 -3.4276 -3.4031 -3.4031 -3.2428 -3.2428 -2.5466 -2.5466 -2.4255 -2.4255 -1.1639 -1.1639 -1.1319 -1.1319 2.0650 2.0650 2.6593 2.6593 2.7002 2.7002 2.9425 2.9425 7.4189 7.4189 7.6334 7.6334 8.0638 8.0638 8.0859 8.0859 8.6646 8.6646 k = 0.5000 0.5920 0.1246 ( 4964 PWs) bands (ev): -22.1541 -22.1541 -22.1143 -22.1143 -19.3034 -19.3034 -19.3013 -19.3013 -15.0195 -15.0195 -15.0190 -15.0190 -7.0511 -7.0511 -6.9336 -6.9336 -6.2432 -6.2432 -6.2137 -6.2137 -5.8888 -5.8888 -5.7962 -5.7962 -3.7497 -3.7497 -3.4252 -3.4252 -3.4013 -3.4013 -3.2420 -3.2420 -2.5499 -2.5499 -2.4225 -2.4225 -1.1585 -1.1585 -1.1269 -1.1269 2.0458 2.0458 2.6680 2.6680 2.6998 2.6998 2.9572 2.9572 7.3939 7.3939 7.6150 7.6150 8.0625 8.0625 8.0778 8.0778 8.6410 8.6410 k = 0.5000 0.5920 0.1068 ( 4972 PWs) bands (ev): -22.1539 -22.1539 -22.1145 -22.1145 -19.3038 -19.3038 -19.3009 -19.3009 -15.0196 -15.0196 -15.0192 -15.0192 -7.0509 -7.0509 -6.9353 -6.9353 -6.2436 -6.2436 -6.2141 -6.2141 -5.8855 -5.8855 -5.7962 -5.7962 -3.7563 -3.7563 -3.4231 -3.4231 -3.3996 -3.3996 -3.2413 -3.2413 -2.5535 -2.5535 -2.4193 -2.4193 -1.1537 -1.1537 -1.1223 -1.1223 2.0288 2.0288 2.6756 2.6756 2.6994 2.6994 2.9702 2.9702 7.3721 7.3721 7.5989 7.5989 8.0604 8.0604 8.0709 8.0709 8.6201 8.6201 k = 0.5000 0.5920 0.0890 ( 4984 PWs) bands (ev): -22.1537 -22.1537 -22.1146 -22.1146 -19.3041 -19.3041 -19.3005 -19.3005 -15.0198 -15.0198 -15.0194 -15.0194 -7.0506 -7.0506 -6.9368 -6.9368 -6.2441 -6.2441 -6.2142 -6.2142 -5.8826 -5.8826 -5.7963 -5.7963 -3.7620 -3.7620 -3.4214 -3.4214 -3.3980 -3.3980 -3.2406 -3.2406 -2.5571 -2.5571 -2.4163 -2.4163 -1.1497 -1.1497 -1.1182 -1.1182 2.0142 2.0142 2.6821 2.6821 2.6991 2.6991 2.9815 2.9815 7.3534 7.3534 7.5851 7.5851 8.0580 8.0580 8.0652 8.0652 8.6022 8.6022 k = 0.5000 0.5920 0.0712 ( 4986 PWs) bands (ev): -22.1535 -22.1535 -22.1147 -22.1147 -19.3044 -19.3044 -19.3002 -19.3002 -15.0199 -15.0199 -15.0196 -15.0196 -7.0504 -7.0504 -6.9381 -6.9381 -6.2447 -6.2447 -6.2142 -6.2142 -5.8802 -5.8802 -5.7963 -5.7963 -3.7667 -3.7667 -3.4201 -3.4201 -3.3966 -3.3966 -3.2401 -3.2401 -2.5604 -2.5604 -2.4135 -2.4135 -1.1463 -1.1463 -1.1146 -1.1146 2.0021 2.0021 2.6874 2.6874 2.6990 2.6990 2.9909 2.9909 7.3381 7.3381 7.5738 7.5738 8.0555 8.0555 8.0610 8.0610 8.5873 8.5873 k = 0.5000 0.5920 0.0534 ( 4986 PWs) bands (ev): -22.1534 -22.1534 -22.1148 -22.1148 -19.3046 -19.3046 -19.3000 -19.3000 -15.0200 -15.0200 -15.0197 -15.0197 -7.0503 -7.0503 -6.9391 -6.9391 -6.2452 -6.2452 -6.2141 -6.2141 -5.8782 -5.8782 -5.7963 -5.7963 -3.7704 -3.7704 -3.4190 -3.4190 -3.3955 -3.3955 -3.2397 -3.2397 -2.5632 -2.5632 -2.4113 -2.4113 -1.1437 -1.1437 -1.1117 -1.1117 1.9927 1.9927 2.6914 2.6914 2.6992 2.6992 2.9983 2.9983 7.3261 7.3261 7.5649 7.5649 8.0531 8.0531 8.0579 8.0579 8.5755 8.5755 k = 0.5000 0.5920 0.0356 ( 4980 PWs) bands (ev): -22.1533 -22.1533 -22.1149 -22.1149 -19.3048 -19.3048 -19.2998 -19.2998 -15.0200 -15.0200 -15.0197 -15.0197 -7.0501 -7.0501 -6.9398 -6.9398 -6.2456 -6.2456 -6.2140 -6.2140 -5.8768 -5.8768 -5.7963 -5.7963 -3.7731 -3.7731 -3.4182 -3.4182 -3.3946 -3.3946 -3.2394 -3.2394 -2.5654 -2.5654 -2.4096 -2.4096 -1.1418 -1.1418 -1.1096 -1.1096 1.9859 1.9859 2.6939 2.6939 2.6996 2.6996 3.0036 3.0036 7.3176 7.3176 7.5585 7.5585 8.0511 8.0511 8.0558 8.0558 8.5671 8.5671 k = 0.5000 0.5920 0.0178 ( 4972 PWs) bands (ev): -22.1533 -22.1533 -22.1149 -22.1149 -19.3049 -19.3049 -19.2997 -19.2997 -15.0201 -15.0201 -15.0198 -15.0198 -7.0500 -7.0500 -6.9402 -6.9402 -6.2458 -6.2458 -6.2139 -6.2139 -5.8759 -5.8759 -5.7963 -5.7963 -3.7747 -3.7747 -3.4177 -3.4177 -3.3941 -3.3941 -3.2392 -3.2392 -2.5667 -2.5667 -2.4085 -2.4085 -1.1406 -1.1406 -1.1083 -1.1083 1.9818 1.9818 2.6951 2.6951 2.7002 2.7002 3.0069 3.0069 7.3125 7.3125 7.5547 7.5547 8.0499 8.0499 8.0545 8.0545 8.5620 8.5620 k = 0.5000 0.5920-0.0000 ( 4976 PWs) bands (ev): -22.1532 -22.1532 -22.1149 -22.1149 -19.3049 -19.3049 -19.2997 -19.2997 -15.0201 -15.0201 -15.0198 -15.0198 -7.0500 -7.0500 -6.9404 -6.9404 -6.2459 -6.2459 -6.2139 -6.2139 -5.8756 -5.8756 -5.7963 -5.7963 -3.7752 -3.7752 -3.4176 -3.4176 -3.3940 -3.3940 -3.2392 -3.2392 -2.5671 -2.5671 -2.4082 -2.4082 -1.1402 -1.1402 -1.1079 -1.1079 1.9804 1.9804 2.6955 2.6955 2.7005 2.7005 3.0080 3.0080 7.3108 7.3108 7.5534 7.5534 8.0494 8.0494 8.0541 8.0541 8.5602 8.5602 k = 0.0000 0.0000 0.6545 ( 4974 PWs) bands (ev): -22.1628 -22.1628 -22.1073 -22.1073 -19.3183 -19.3183 -19.2872 -19.2872 -15.0161 -15.0161 -15.0089 -15.0089 -7.0547 -7.0547 -6.8867 -6.8867 -6.3142 -6.3142 -6.1218 -6.1218 -5.9619 -5.9619 -5.7794 -5.7794 -3.5599 -3.5599 -3.5054 -3.5054 -3.3687 -3.3687 -3.2696 -3.2696 -2.7311 -2.7311 -2.4187 -2.4187 -1.3600 -1.3600 -1.1321 -1.1321 2.3605 2.3605 2.4678 2.4678 2.7115 2.7115 2.7988 2.7988 7.6201 7.6201 8.3275 8.3275 8.5767 8.5767 8.5941 8.5941 9.4965 9.4965 k = 0.0119 0.0141 0.6545 ( 4968 PWs) bands (ev): -22.1627 -22.1627 -22.1074 -22.1074 -19.3182 -19.3182 -19.2872 -19.2872 -15.0160 -15.0160 -15.0089 -15.0089 -7.0543 -7.0543 -6.8867 -6.8867 -6.3139 -6.3139 -6.1218 -6.1218 -5.9620 -5.9620 -5.7803 -5.7803 -3.5595 -3.5595 -3.5052 -3.5052 -3.3688 -3.3688 -3.2701 -3.2701 -2.7306 -2.7306 -2.4191 -2.4191 -1.3597 -1.3597 -1.1324 -1.1324 2.3610 2.3610 2.4682 2.4682 2.7111 2.7111 2.7983 2.7983 7.6220 7.6220 8.3278 8.3278 8.5760 8.5760 8.5935 8.5935 9.4986 9.4986 k = 0.0238 0.0282 0.6545 ( 4966 PWs) bands (ev): -22.1625 -22.1625 -22.1076 -22.1076 -19.3181 -19.3181 -19.2874 -19.2874 -15.0160 -15.0160 -15.0089 -15.0089 -7.0529 -7.0529 -6.8869 -6.8869 -6.3130 -6.3130 -6.1215 -6.1215 -5.9624 -5.9624 -5.7832 -5.7832 -3.5583 -3.5583 -3.5046 -3.5046 -3.3694 -3.3694 -3.2713 -3.2713 -2.7290 -2.7290 -2.4202 -2.4202 -1.3587 -1.3587 -1.1334 -1.1334 2.3627 2.3627 2.4696 2.4696 2.7098 2.7098 2.7970 2.7970 7.6275 7.6275 8.3284 8.3284 8.5737 8.5737 8.5915 8.5915 9.5049 9.5049 k = 0.0357 0.0423 0.6545 ( 4950 PWs) bands (ev): -22.1621 -22.1621 -22.1080 -22.1080 -19.3179 -19.3179 -19.2876 -19.2876 -15.0159 -15.0159 -15.0089 -15.0089 -7.0507 -7.0507 -6.8871 -6.8871 -6.3114 -6.3114 -6.1211 -6.1211 -5.9630 -5.9630 -5.7879 -5.7879 -3.5563 -3.5563 -3.5034 -3.5034 -3.3703 -3.3703 -3.2734 -3.2734 -2.7264 -2.7264 -2.4221 -2.4221 -1.3572 -1.3572 -1.1351 -1.1351 2.3655 2.3655 2.4720 2.4720 2.7077 2.7077 2.7947 2.7947 7.6366 7.6366 8.3297 8.3297 8.5699 8.5699 8.5883 8.5883 9.5153 9.5153 k = 0.0476 0.0564 0.6545 ( 4960 PWs) bands (ev): -22.1616 -22.1616 -22.1086 -22.1086 -19.3176 -19.3176 -19.2879 -19.2879 -15.0159 -15.0159 -15.0090 -15.0090 -7.0476 -7.0476 -6.8875 -6.8875 -6.3093 -6.3093 -6.1206 -6.1206 -5.9639 -5.9639 -5.7945 -5.7945 -3.5537 -3.5537 -3.5019 -3.5019 -3.3716 -3.3716 -3.2764 -3.2764 -2.7229 -2.7229 -2.4247 -2.4247 -1.3551 -1.3551 -1.1374 -1.1374 2.3693 2.3693 2.4752 2.4752 2.7047 2.7047 2.7916 2.7916 7.6492 7.6492 8.3312 8.3312 8.5643 8.5643 8.5838 8.5838 9.5297 9.5297 k = 0.0595 0.0705 0.6545 ( 4960 PWs) bands (ev): -22.1609 -22.1609 -22.1092 -22.1092 -19.3172 -19.3172 -19.2883 -19.2883 -15.0158 -15.0158 -15.0091 -15.0091 -7.0437 -7.0437 -6.8881 -6.8881 -6.3064 -6.3064 -6.1200 -6.1200 -5.9650 -5.9650 -5.8027 -5.8027 -3.5503 -3.5503 -3.5000 -3.5000 -3.3732 -3.3732 -3.2801 -3.2801 -2.7183 -2.7183 -2.4280 -2.4280 -1.3523 -1.3523 -1.1404 -1.1404 2.3742 2.3742 2.4793 2.4793 2.7008 2.7008 2.7875 2.7875 7.6652 7.6652 8.3332 8.3332 8.5571 8.5571 8.5783 8.5783 9.5479 9.5479 k = 0.0714 0.0846 0.6545 ( 4956 PWs) bands (ev): -22.1601 -22.1601 -22.1101 -22.1101 -19.3167 -19.3167 -19.2887 -19.2887 -15.0157 -15.0157 -15.0092 -15.0092 -7.0391 -7.0391 -6.8887 -6.8887 -6.3029 -6.3029 -6.1194 -6.1194 -5.9663 -5.9663 -5.8125 -5.8125 -3.5463 -3.5463 -3.4975 -3.4975 -3.3753 -3.3753 -3.2846 -3.2846 -2.7129 -2.7129 -2.4320 -2.4320 -1.3490 -1.3490 -1.1439 -1.1439 2.3800 2.3800 2.4843 2.4843 2.6962 2.6962 2.7826 2.7826 7.6845 7.6845 8.3357 8.3357 8.5482 8.5482 8.5718 8.5718 9.5699 9.5699 k = 0.0833 0.0987 0.6545 ( 4968 PWs) bands (ev): -22.1591 -22.1591 -22.1111 -22.1111 -19.3162 -19.3162 -19.2893 -19.2893 -15.0155 -15.0155 -15.0093 -15.0093 -7.0337 -7.0337 -6.8896 -6.8896 -6.2988 -6.2988 -6.1187 -6.1187 -5.9678 -5.9678 -5.8237 -5.8237 -3.5417 -3.5417 -3.4947 -3.4947 -3.3777 -3.3777 -3.2898 -3.2898 -2.7065 -2.7065 -2.4368 -2.4368 -1.3452 -1.3452 -1.1481 -1.1481 2.3869 2.3869 2.4901 2.4901 2.6907 2.6907 2.7769 2.7769 7.7068 7.7068 8.3388 8.3388 8.5373 8.5373 8.5646 8.5646 9.5952 9.5952 k = 0.0952 0.1128 0.6545 ( 4974 PWs) bands (ev): -22.1580 -22.1580 -22.1122 -22.1122 -19.3156 -19.3156 -19.2899 -19.2899 -15.0154 -15.0154 -15.0094 -15.0094 -7.0277 -7.0277 -6.8906 -6.8906 -6.2939 -6.2939 -6.1180 -6.1180 -5.9695 -5.9695 -5.8362 -5.8362 -3.5366 -3.5366 -3.4913 -3.4913 -3.3804 -3.3804 -3.2958 -3.2958 -2.6994 -2.6994 -2.4422 -2.4422 -1.3408 -1.3408 -1.1529 -1.1529 2.3946 2.3946 2.4967 2.4967 2.6845 2.6845 2.7703 2.7703 7.7319 7.7319 8.3423 8.3423 8.5246 8.5246 8.5568 8.5568 9.6237 9.6237 k = 0.1071 0.1269 0.6545 ( 4982 PWs) bands (ev): -22.1568 -22.1568 -22.1134 -22.1134 -19.3149 -19.3149 -19.2906 -19.2906 -15.0152 -15.0152 -15.0096 -15.0096 -7.0212 -7.0212 -6.8919 -6.8919 -6.2882 -6.2882 -6.1175 -6.1175 -5.9713 -5.9713 -5.8496 -5.8496 -3.5309 -3.5309 -3.4875 -3.4875 -3.3835 -3.3835 -3.3023 -3.3023 -2.6915 -2.6915 -2.4483 -2.4483 -1.3360 -1.3360 -1.1582 -1.1582 2.4032 2.4032 2.5041 2.5041 2.6775 2.6775 2.7630 2.7630 7.7597 7.7597 8.3462 8.3462 8.5100 8.5100 8.5483 8.5483 9.6551 9.6551 k = 0.1190 0.1409 0.6545 ( 4978 PWs) bands (ev): -22.1554 -22.1554 -22.1148 -22.1148 -19.3141 -19.3141 -19.2914 -19.2914 -15.0151 -15.0151 -15.0098 -15.0098 -7.0142 -7.0142 -6.8934 -6.8934 -6.2819 -6.2819 -6.1171 -6.1171 -5.9732 -5.9732 -5.8639 -5.8639 -3.5248 -3.5248 -3.4831 -3.4831 -3.3870 -3.3870 -3.3094 -3.3094 -2.6828 -2.6828 -2.4551 -2.4551 -1.3306 -1.3306 -1.1639 -1.1639 2.4126 2.4126 2.5123 2.5123 2.6698 2.6698 2.7550 2.7550 7.7899 7.7899 8.3507 8.3507 8.4935 8.4935 8.5394 8.5394 9.6891 9.6891 k = 0.1310 0.1550 0.6545 ( 4964 PWs) bands (ev): -22.1540 -22.1540 -22.1163 -22.1163 -19.3133 -19.3133 -19.2922 -19.2922 -15.0148 -15.0148 -15.0099 -15.0099 -7.0069 -7.0069 -6.8951 -6.8951 -6.2747 -6.2747 -6.1171 -6.1171 -5.9752 -5.9752 -5.8786 -5.8786 -3.5184 -3.5184 -3.4783 -3.4783 -3.3907 -3.3907 -3.3170 -3.3170 -2.6736 -2.6736 -2.4624 -2.4624 -1.3247 -1.3247 -1.1702 -1.1702 2.4228 2.4228 2.5211 2.5211 2.6614 2.6614 2.7464 2.7464 7.8221 7.8221 8.3557 8.3557 8.4752 8.4752 8.5302 8.5302 9.7253 9.7253 k = 0.1429 0.1691 0.6545 ( 4964 PWs) bands (ev): -22.1524 -22.1524 -22.1178 -22.1178 -19.3124 -19.3124 -19.2931 -19.2931 -15.0146 -15.0146 -15.0101 -15.0101 -6.9992 -6.9992 -6.8972 -6.8972 -6.2668 -6.2668 -6.1175 -6.1175 -5.9773 -5.9773 -5.8936 -5.8936 -3.5117 -3.5117 -3.4731 -3.4731 -3.3949 -3.3949 -3.3250 -3.3250 -2.6638 -2.6638 -2.4704 -2.4704 -1.3185 -1.3185 -1.1768 -1.1768 2.4336 2.4336 2.5305 2.5305 2.6523 2.6523 2.7370 2.7370 7.8561 7.8561 8.3611 8.3611 8.4549 8.4549 8.5206 8.5206 9.7633 9.7633 k = 0.1548 0.1832 0.6545 ( 4972 PWs) bands (ev): -22.1508 -22.1508 -22.1195 -22.1195 -19.3115 -19.3115 -19.2940 -19.2940 -15.0144 -15.0144 -15.0103 -15.0103 -6.9915 -6.9915 -6.8996 -6.8996 -6.2581 -6.2581 -6.1185 -6.1185 -5.9793 -5.9793 -5.9084 -5.9084 -3.5047 -3.5047 -3.4674 -3.4674 -3.3993 -3.3993 -3.3334 -3.3334 -2.6535 -2.6535 -2.4789 -2.4789 -1.3118 -1.3118 -1.1839 -1.1839 2.4449 2.4449 2.5405 2.5405 2.6425 2.6425 2.7272 2.7272 7.8916 7.8916 8.3669 8.3669 8.4327 8.4327 8.5106 8.5106 9.8028 9.8028 k = 0.1667 0.1973 0.6545 ( 4976 PWs) bands (ev): -22.1490 -22.1490 -22.1213 -22.1213 -19.3105 -19.3105 -19.2950 -19.2950 -15.0142 -15.0142 -15.0106 -15.0106 -6.9836 -6.9836 -6.9023 -6.9023 -6.2486 -6.2486 -6.1204 -6.1204 -5.9813 -5.9813 -5.9227 -5.9227 -3.4976 -3.4976 -3.4613 -3.4613 -3.4040 -3.4040 -3.3421 -3.3421 -2.6428 -2.6428 -2.4879 -2.4879 -1.3049 -1.3049 -1.1913 -1.1913 2.4567 2.4567 2.5510 2.5510 2.6321 2.6321 2.7167 2.7167 7.9282 7.9282 8.3729 8.3729 8.4090 8.4090 8.5007 8.5007 9.8433 9.8433 k = 0.1786 0.2114 0.6545 ( 4980 PWs) bands (ev): -22.1472 -22.1472 -22.1231 -22.1231 -19.3095 -19.3095 -19.2960 -19.2960 -15.0140 -15.0140 -15.0108 -15.0108 -6.9757 -6.9757 -6.9054 -6.9054 -6.2385 -6.2385 -6.1233 -6.1233 -5.9831 -5.9831 -5.9361 -5.9361 -3.4904 -3.4904 -3.4548 -3.4548 -3.4090 -3.4090 -3.3510 -3.3510 -2.6318 -2.6318 -2.4975 -2.4975 -1.2975 -1.2975 -1.1990 -1.1990 2.4690 2.4690 2.5620 2.5620 2.6212 2.6212 2.7058 2.7058 7.9656 7.9656 8.3757 8.3757 8.3871 8.3871 8.4905 8.4905 9.8843 9.8843 k = 0.1905 0.2255 0.6545 ( 4976 PWs) bands (ev): -22.1453 -22.1453 -22.1250 -22.1250 -19.3084 -19.3084 -19.2971 -19.2971 -15.0137 -15.0137 -15.0110 -15.0110 -6.9680 -6.9680 -6.9089 -6.9089 -6.2277 -6.2277 -6.1274 -6.1274 -5.9846 -5.9846 -5.9483 -5.9483 -3.4831 -3.4831 -3.4480 -3.4480 -3.4141 -3.4141 -3.3600 -3.3600 -2.6205 -2.6205 -2.5074 -2.5074 -1.2899 -1.2899 -1.2069 -1.2069 2.4817 2.4817 2.5733 2.5733 2.6099 2.6099 2.6945 2.6945 8.0036 8.0036 8.3534 8.3534 8.3890 8.3890 8.4804 8.4804 9.9253 9.9253 k = 0.2024 0.2396 0.6545 ( 4968 PWs) bands (ev): -22.1434 -22.1434 -22.1270 -22.1270 -19.3073 -19.3073 -19.2982 -19.2982 -15.0135 -15.0135 -15.0113 -15.0113 -6.9604 -6.9604 -6.9129 -6.9129 -6.2163 -6.2163 -6.1330 -6.1330 -5.9857 -5.9857 -5.9589 -5.9589 -3.4758 -3.4758 -3.4412 -3.4412 -3.4191 -3.4191 -3.3691 -3.3691 -2.6090 -2.6090 -2.5178 -2.5178 -1.2820 -1.2820 -1.2151 -1.2151 2.4946 2.4946 2.5846 2.5846 2.5985 2.5985 2.6828 2.6828 8.0419 8.0419 8.3244 8.3244 8.3964 8.3964 8.4703 8.4703 9.9658 9.9658 k = 0.2143 0.2537 0.6545 ( 4956 PWs) bands (ev): -22.1414 -22.1414 -22.1290 -22.1290 -19.3062 -19.3062 -19.2993 -19.2993 -15.0132 -15.0132 -15.0115 -15.0115 -6.9531 -6.9531 -6.9173 -6.9173 -6.2046 -6.2046 -6.1401 -6.1401 -5.9864 -5.9864 -5.9677 -5.9677 -3.4685 -3.4685 -3.4359 -3.4359 -3.4225 -3.4225 -3.3782 -3.3782 -2.5973 -2.5973 -2.5285 -2.5285 -1.2739 -1.2739 -1.2234 -1.2234 2.5077 2.5077 2.5850 2.5850 2.5978 2.5978 2.6709 2.6709 8.0800 8.0800 8.2934 8.2934 8.4045 8.4045 8.4602 8.4602 10.0052 10.0052 k = 0.2262 0.2678 0.6545 ( 4956 PWs) bands (ev): -22.1393 -22.1393 -22.1311 -22.1311 -19.3051 -19.3051 -19.3005 -19.3005 -15.0130 -15.0130 -15.0118 -15.0118 -6.9461 -6.9461 -6.9221 -6.9221 -6.1927 -6.1927 -6.1487 -6.1487 -5.9863 -5.9863 -5.9747 -5.9747 -3.4614 -3.4614 -3.4364 -3.4364 -3.4201 -3.4201 -3.3873 -3.3873 -2.5857 -2.5857 -2.5395 -2.5395 -1.2656 -1.2656 -1.2318 -1.2318 2.5209 2.5209 2.5729 2.5729 2.6096 2.6096 2.6588 2.6588 8.1178 8.1178 8.2608 8.2608 8.4130 8.4130 8.4503 8.4503 10.0430 10.0430 k = 0.2381 0.2819 0.6545 ( 4960 PWs) bands (ev): -22.1373 -22.1373 -22.1331 -22.1331 -19.3039 -19.3039 -19.3016 -19.3016 -15.0127 -15.0127 -15.0120 -15.0120 -6.9395 -6.9395 -6.9275 -6.9275 -6.1809 -6.1809 -6.1585 -6.1585 -5.9854 -5.9854 -5.9798 -5.9798 -3.4545 -3.4545 -3.4414 -3.4414 -3.4131 -3.4131 -3.3962 -3.3962 -2.5740 -2.5740 -2.5508 -2.5508 -1.2573 -1.2573 -1.2402 -1.2402 2.5341 2.5341 2.5601 2.5601 2.6218 2.6218 2.6465 2.6465 8.1550 8.1550 8.2267 8.2267 8.4219 8.4219 8.4406 8.4406 10.0786 10.0786 k = 0.2500 0.2960 0.6545 ( 4964 PWs) bands (ev): -22.1352 -22.1352 -22.1352 -22.1352 -19.3029 -19.3029 -19.3027 -19.3027 -15.0125 -15.0125 -15.0123 -15.0123 -6.9332 -6.9332 -6.9332 -6.9332 -6.1694 -6.1694 -6.1694 -6.1694 -5.9833 -5.9833 -5.9833 -5.9833 -3.4478 -3.4478 -3.4476 -3.4476 -3.4051 -3.4051 -3.4049 -3.4049 -2.5624 -2.5624 -2.5623 -2.5623 -1.2488 -1.2488 -1.2487 -1.2487 2.5471 2.5471 2.5472 2.5472 2.6341 2.6341 2.6342 2.6342 8.1913 8.1913 8.1914 8.1914 8.4311 8.4311 8.4311 8.4311 10.1116 10.1116 Writing output data file RbN3.save init_run : 0.36s CPU 0.49s WALL ( 1 calls) electrons : 153.09s CPU 155.46s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 153.08s CPU 155.45s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 291 calls) cegterg : 136.95s CPU 138.70s WALL ( 328 calls) Called by sum_band: Called by *egterg: h_psi : 89.18s CPU 90.49s WALL ( 5479 calls) s_psi : 4.20s CPU 4.34s WALL ( 5479 calls) g_psi : 0.23s CPU 0.23s WALL ( 4860 calls) cdiaghg : 40.94s CPU 41.41s WALL ( 5151 calls) cegterg:over : 5.90s CPU 5.99s WALL ( 4860 calls) cegterg:upda : 5.01s CPU 5.06s WALL ( 4860 calls) cegterg:last : 3.17s CPU 3.13s WALL ( 910 calls) cdiaghg:chol : 2.30s CPU 2.34s WALL ( 5151 calls) cdiaghg:inve : 1.58s CPU 1.59s WALL ( 5151 calls) cdiaghg:para : 2.59s CPU 2.55s WALL ( 10302 calls) Called by h_psi: h_psi:vloc : 78.67s CPU 79.91s WALL ( 5479 calls) h_psi:vnl : 10.24s CPU 10.33s WALL ( 5479 calls) add_vuspsi : 5.06s CPU 5.04s WALL ( 5479 calls) General routines calbec : 5.16s CPU 5.27s WALL ( 5479 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 73.52s CPU 74.46s WALL ( 689076 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.22s WALL ( 582 calls) Parallel routines fft_scatter : 26.04s CPU 26.36s WALL ( 689099 calls) PWSCF : 2m50.63s CPU 3m 8.35s WALL This run was terminated on: 20:58:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=