Program PWSCF v.5.1.1 starts on 19Oct2015 at 0:39:19 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./InPS4.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 45 34 10 1064 689 108 Max 46 35 11 1069 710 110 Sum 2193 1653 483 51187 33567 5223 bravais-lattice index = 14 lattice parameter (alat) = 11.3185 a.u. unit-cell volume = 948.9266 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 217.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.318504 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.564475 celldm(5)= -0.564475 celldm(6)= 0.128950 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.128950 0.991651 0.000000 ) a(3) = ( -0.564475 -0.495826 0.659943 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.130035 0.757641 ) b(2) = ( 0.000000 1.008419 0.757641 ) b(3) = ( 0.000000 0.000000 1.515282 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for In read from file: /home/autes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 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 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) In 13.00 114.81800 In( 1.00) P 5.00 30.97380 P( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 294 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0000000 0.0000000 0.0189410), wk = 0.0034014 k( 3) = ( 0.0000000 0.0000000 0.0378820), wk = 0.0034014 k( 4) = ( 0.0000000 0.0000000 0.0568231), wk = 0.0034014 k( 5) = ( 0.0000000 0.0000000 0.0757641), wk = 0.0034014 k( 6) = ( 0.0000000 0.0000000 0.0947051), wk = 0.0034014 k( 7) = ( 0.0000000 0.0000000 0.1136461), wk = 0.0034014 k( 8) = ( 0.0000000 0.0000000 0.1325872), wk = 0.0034014 k( 9) = ( 0.0000000 0.0000000 0.1515282), wk = 0.0034014 k( 10) = ( 0.0000000 0.0000000 0.1704692), wk = 0.0034014 k( 11) = ( 0.0000000 0.0000000 0.1894102), wk = 0.0034014 k( 12) = ( 0.0000000 0.0000000 0.2083512), wk = 0.0034014 k( 13) = ( 0.0000000 0.0000000 0.2272923), wk = 0.0034014 k( 14) = ( 0.0000000 0.0000000 0.2462333), wk = 0.0034014 k( 15) = ( 0.0000000 0.0000000 0.2651743), wk = 0.0034014 k( 16) = ( 0.0000000 0.0000000 0.2841153), wk = 0.0034014 k( 17) = ( 0.0000000 0.0000000 0.3030564), wk = 0.0034014 k( 18) = ( 0.0000000 0.0000000 0.3219974), wk = 0.0034014 k( 19) = ( 0.0000000 0.0000000 0.3409384), wk = 0.0034014 k( 20) = ( 0.0000000 0.0000000 0.3598794), wk = 0.0034014 k( 21) = ( 0.0000000 0.0000000 0.3788204), wk = 0.0034014 k( 22) = ( 0.0000000 0.0000000 0.3977615), wk = 0.0034014 k( 23) = ( 0.0000000 0.0000000 0.4167025), wk = 0.0034014 k( 24) = ( 0.0000000 0.0000000 0.4356435), wk = 0.0034014 k( 25) = ( 0.0000000 0.0000000 0.4545845), wk = 0.0034014 k( 26) = ( 0.0000000 0.0000000 0.4735255), wk = 0.0034014 k( 27) = ( 0.0000000 0.0000000 0.4924666), wk = 0.0034014 k( 28) = ( 0.0000000 0.0000000 0.5114076), wk = 0.0034014 k( 29) = ( 0.0000000 0.0000000 0.5303486), wk = 0.0034014 k( 30) = ( 0.0000000 0.0000000 0.5492896), wk = 0.0034014 k( 31) = ( 0.0000000 0.0000000 0.5682307), wk = 0.0034014 k( 32) = ( 0.0000000 0.0000000 0.5871717), wk = 0.0034014 k( 33) = ( 0.0000000 0.0000000 0.6061127), wk = 0.0034014 k( 34) = ( 0.0000000 0.0000000 0.6250537), wk = 0.0034014 k( 35) = ( 0.0000000 0.0000000 0.6439947), wk = 0.0034014 k( 36) = ( 0.0000000 0.0000000 0.6629358), wk = 0.0034014 k( 37) = ( 0.0000000 0.0000000 0.6818768), wk = 0.0034014 k( 38) = ( 0.0000000 0.0000000 0.7008178), wk = 0.0034014 k( 39) = ( 0.0000000 0.0000000 0.7197588), wk = 0.0034014 k( 40) = ( 0.0000000 0.0000000 0.7386999), wk = 0.0034014 k( 41) = ( 0.0000000 0.0000000 0.7576409), wk = 0.0034014 k( 42) = ( 0.0000000 0.0000000 0.7576409), wk = 0.0034014 k( 43) = ( -0.0120556 0.0137247 0.7576409), wk = 0.0034014 k( 44) = ( -0.0241112 0.0274495 0.7576409), wk = 0.0034014 k( 45) = ( -0.0361668 0.0411742 0.7576409), wk = 0.0034014 k( 46) = ( -0.0482224 0.0548990 0.7576409), wk = 0.0034014 k( 47) = ( -0.0602780 0.0686237 0.7576409), wk = 0.0034014 k( 48) = ( -0.0723336 0.0823485 0.7576409), wk = 0.0034014 k( 49) = ( -0.0843892 0.0960732 0.7576409), wk = 0.0034014 k( 50) = ( -0.0964447 0.1097980 0.7576409), wk = 0.0034014 k( 51) = ( -0.1085003 0.1235227 0.7576409), wk = 0.0034014 k( 52) = ( -0.1205559 0.1372475 0.7576409), wk = 0.0034014 k( 53) = ( -0.1326115 0.1509722 0.7576409), wk = 0.0034014 k( 54) = ( -0.1446671 0.1646970 0.7576409), wk = 0.0034014 k( 55) = ( -0.1567227 0.1784217 0.7576409), wk = 0.0034014 k( 56) = ( -0.1687783 0.1921464 0.7576409), wk = 0.0034014 k( 57) = ( -0.1808339 0.2058712 0.7576409), wk = 0.0034014 k( 58) = ( -0.1928895 0.2195959 0.7576409), wk = 0.0034014 k( 59) = ( -0.1928895 0.2195959 0.7576409), wk = 0.0034014 k( 60) = ( -0.2014203 0.2293079 0.7447142), wk = 0.0034014 k( 61) = ( -0.2099512 0.2390199 0.7317876), wk = 0.0034014 k( 62) = ( -0.2184821 0.2487319 0.7188610), wk = 0.0034014 k( 63) = ( -0.2270129 0.2584439 0.7059343), wk = 0.0034014 k( 64) = ( -0.2355437 0.2681558 0.6930077), wk = 0.0034014 k( 65) = ( -0.2440746 0.2778678 0.6800811), wk = 0.0034014 k( 66) = ( -0.2526054 0.2875798 0.6671544), wk = 0.0034014 k( 67) = ( -0.2611363 0.2972918 0.6542278), wk = 0.0034014 k( 68) = ( -0.2696671 0.3070038 0.6413012), wk = 0.0034014 k( 69) = ( -0.2781980 0.3167158 0.6283745), wk = 0.0034014 k( 70) = ( -0.2867288 0.3264277 0.6154479), wk = 0.0034014 k( 71) = ( -0.2952597 0.3361397 0.6025212), wk = 0.0034014 k( 72) = ( -0.3037905 0.3458517 0.5895946), wk = 0.0034014 k( 73) = ( -0.3123214 0.3555637 0.5766680), wk = 0.0034014 k( 74) = ( -0.3208522 0.3652757 0.5637413), wk = 0.0034014 k( 75) = ( -0.3293831 0.3749876 0.5508147), wk = 0.0034014 k( 76) = ( -0.3379139 0.3846996 0.5378881), wk = 0.0034014 k( 77) = ( -0.3464448 0.3944116 0.5249614), wk = 0.0034014 k( 78) = ( -0.3464448 0.3944116 0.5249614), wk = 0.0034014 k( 79) = ( -0.3375615 0.3842985 0.5115009), wk = 0.0034014 k( 80) = ( -0.3286784 0.3741854 0.4980403), wk = 0.0034014 k( 81) = ( -0.3197952 0.3640723 0.4845798), wk = 0.0034014 k( 82) = ( -0.3109120 0.3539591 0.4711192), wk = 0.0034014 k( 83) = ( -0.3020288 0.3438460 0.4576587), wk = 0.0034014 k( 84) = ( -0.2931456 0.3337329 0.4441981), wk = 0.0034014 k( 85) = ( -0.2842624 0.3236198 0.4307376), wk = 0.0034014 k( 86) = ( -0.2753792 0.3135067 0.4172770), wk = 0.0034014 k( 87) = ( -0.2664960 0.3033935 0.4038165), wk = 0.0034014 k( 88) = ( -0.2576128 0.2932804 0.3903559), wk = 0.0034014 k( 89) = ( -0.2487296 0.2831673 0.3768954), wk = 0.0034014 k( 90) = ( -0.2398464 0.2730542 0.3634348), wk = 0.0034014 k( 91) = ( -0.2309632 0.2629411 0.3499743), wk = 0.0034014 k( 92) = ( -0.2220800 0.2528280 0.3365137), wk = 0.0034014 k( 93) = ( -0.2131968 0.2427148 0.3230532), wk = 0.0034014 k( 94) = ( -0.2043136 0.2326017 0.3095926), wk = 0.0034014 k( 95) = ( -0.1954304 0.2224886 0.2961321), wk = 0.0034014 k( 96) = ( -0.1865472 0.2123755 0.2826715), wk = 0.0034014 k( 97) = ( -0.1776640 0.2022624 0.2692110), wk = 0.0034014 k( 98) = ( -0.1687808 0.1921492 0.2557504), wk = 0.0034014 k( 99) = ( -0.1598976 0.1820361 0.2422899), wk = 0.0034014 k( 100) = ( -0.1510144 0.1719230 0.2288293), wk = 0.0034014 k( 101) = ( -0.1421312 0.1618099 0.2153688), wk = 0.0034014 k( 102) = ( -0.1332480 0.1516968 0.2019082), wk = 0.0034014 k( 103) = ( -0.1243648 0.1415837 0.1884477), wk = 0.0034014 k( 104) = ( -0.1154816 0.1314705 0.1749871), wk = 0.0034014 k( 105) = ( -0.1065984 0.1213574 0.1615266), wk = 0.0034014 k( 106) = ( -0.0977152 0.1112443 0.1480660), wk = 0.0034014 k( 107) = ( -0.0888320 0.1011312 0.1346055), wk = 0.0034014 k( 108) = ( -0.0799488 0.0910181 0.1211449), wk = 0.0034014 k( 109) = ( -0.0710656 0.0809049 0.1076844), wk = 0.0034014 k( 110) = ( -0.0621824 0.0707918 0.0942238), wk = 0.0034014 k( 111) = ( -0.0532992 0.0606787 0.0807633), wk = 0.0034014 k( 112) = ( -0.0444160 0.0505656 0.0673027), wk = 0.0034014 k( 113) = ( -0.0355328 0.0404525 0.0538422), wk = 0.0034014 k( 114) = ( -0.0266496 0.0303394 0.0403817), wk = 0.0034014 k( 115) = ( -0.0177664 0.0202262 0.0269211), wk = 0.0034014 k( 116) = ( -0.0088832 0.0101131 0.0134606), wk = 0.0034014 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 119) = ( 0.0142857 0.0125483 0.0000000), wk = 0.0034014 k( 120) = ( 0.0285714 0.0250967 0.0000000), wk = 0.0034014 k( 121) = ( 0.0428571 0.0376450 0.0000000), wk = 0.0034014 k( 122) = ( 0.0571429 0.0501934 0.0000000), wk = 0.0034014 k( 123) = ( 0.0714286 0.0627417 0.0000000), wk = 0.0034014 k( 124) = ( 0.0857143 0.0752900 0.0000000), wk = 0.0034014 k( 125) = ( 0.1000000 0.0878384 0.0000000), wk = 0.0034014 k( 126) = ( 0.1142857 0.1003867 0.0000000), wk = 0.0034014 k( 127) = ( 0.1285714 0.1129351 0.0000000), wk = 0.0034014 k( 128) = ( 0.1428571 0.1254834 0.0000000), wk = 0.0034014 k( 129) = ( 0.1571429 0.1380317 0.0000000), wk = 0.0034014 k( 130) = ( 0.1714286 0.1505801 0.0000000), wk = 0.0034014 k( 131) = ( 0.1857143 0.1631284 0.0000000), wk = 0.0034014 k( 132) = ( 0.2000000 0.1756768 0.0000000), wk = 0.0034014 k( 133) = ( 0.2142857 0.1882251 0.0000000), wk = 0.0034014 k( 134) = ( 0.2285714 0.2007734 0.0000000), wk = 0.0034014 k( 135) = ( 0.2428571 0.2133218 0.0000000), wk = 0.0034014 k( 136) = ( 0.2571429 0.2258701 0.0000000), wk = 0.0034014 k( 137) = ( 0.2714286 0.2384184 0.0000000), wk = 0.0034014 k( 138) = ( 0.2857143 0.2509668 0.0000000), wk = 0.0034014 k( 139) = ( 0.3000000 0.2635151 0.0000000), wk = 0.0034014 k( 140) = ( 0.3142857 0.2760635 0.0000000), wk = 0.0034014 k( 141) = ( 0.3285714 0.2886118 0.0000000), wk = 0.0034014 k( 142) = ( 0.3428571 0.3011601 0.0000000), wk = 0.0034014 k( 143) = ( 0.3571429 0.3137085 0.0000000), wk = 0.0034014 k( 144) = ( 0.3714286 0.3262568 0.0000000), wk = 0.0034014 k( 145) = ( 0.3857143 0.3388052 0.0000000), wk = 0.0034014 k( 146) = ( 0.4000000 0.3513535 0.0000000), wk = 0.0034014 k( 147) = ( 0.4142857 0.3639018 0.0000000), wk = 0.0034014 k( 148) = ( 0.4285714 0.3764502 0.0000000), wk = 0.0034014 k( 149) = ( 0.4428571 0.3889985 0.0000000), wk = 0.0034014 k( 150) = ( 0.4571429 0.4015469 0.0000000), wk = 0.0034014 k( 151) = ( 0.4714286 0.4140952 0.0000000), wk = 0.0034014 k( 152) = ( 0.4857143 0.4266435 0.0000000), wk = 0.0034014 k( 153) = ( 0.5000000 0.4391919 0.0000000), wk = 0.0034014 k( 154) = ( 0.5000000 0.4391919 0.0000000), wk = 0.0034014 k( 155) = ( 0.4914692 0.4489039 0.0129266), wk = 0.0034014 k( 156) = ( 0.4829383 0.4586158 0.0258533), wk = 0.0034014 k( 157) = ( 0.4744075 0.4683278 0.0387799), wk = 0.0034014 k( 158) = ( 0.4658766 0.4780398 0.0517066), wk = 0.0034014 k( 159) = ( 0.4573458 0.4877518 0.0646332), wk = 0.0034014 k( 160) = ( 0.4488149 0.4974638 0.0775598), wk = 0.0034014 k( 161) = ( 0.4402841 0.5071758 0.0904865), wk = 0.0034014 k( 162) = ( 0.4317532 0.5168877 0.1034131), wk = 0.0034014 k( 163) = ( 0.4232224 0.5265997 0.1163397), wk = 0.0034014 k( 164) = ( 0.4146915 0.5363117 0.1292664), wk = 0.0034014 k( 165) = ( 0.4061607 0.5460237 0.1421930), wk = 0.0034014 k( 166) = ( 0.3976298 0.5557357 0.1551196), wk = 0.0034014 k( 167) = ( 0.3890990 0.5654476 0.1680463), wk = 0.0034014 k( 168) = ( 0.3805681 0.5751596 0.1809729), wk = 0.0034014 k( 169) = ( 0.3720373 0.5848716 0.1938996), wk = 0.0034014 k( 170) = ( 0.3635064 0.5945836 0.2068262), wk = 0.0034014 k( 171) = ( 0.3549756 0.6042956 0.2197528), wk = 0.0034014 k( 172) = ( 0.3464448 0.6140076 0.2326795), wk = 0.0034014 k( 173) = ( 0.3464448 0.6140076 0.2326795), wk = 0.0034014 k( 174) = ( 0.3299474 0.6087791 0.2396386), wk = 0.0034014 k( 175) = ( 0.3134500 0.6035506 0.2465977), wk = 0.0034014 k( 176) = ( 0.2969526 0.5983221 0.2535567), wk = 0.0034014 k( 177) = ( 0.2804553 0.5930937 0.2605158), wk = 0.0034014 k( 178) = ( 0.2639579 0.5878652 0.2674749), wk = 0.0034014 k( 179) = ( 0.2474605 0.5826367 0.2744340), wk = 0.0034014 k( 180) = ( 0.2309632 0.5774082 0.2813931), wk = 0.0034014 k( 181) = ( 0.2144658 0.5721798 0.2883522), wk = 0.0034014 k( 182) = ( 0.1979684 0.5669513 0.2953113), wk = 0.0034014 k( 183) = ( 0.1814711 0.5617228 0.3022704), wk = 0.0034014 k( 184) = ( 0.1649737 0.5564943 0.3092295), wk = 0.0034014 k( 185) = ( 0.1484763 0.5512659 0.3161886), wk = 0.0034014 k( 186) = ( 0.1319790 0.5460374 0.3231477), wk = 0.0034014 k( 187) = ( 0.1154816 0.5408089 0.3301068), wk = 0.0034014 k( 188) = ( 0.0989842 0.5355804 0.3370659), wk = 0.0034014 k( 189) = ( 0.0824869 0.5303520 0.3440250), wk = 0.0034014 k( 190) = ( 0.0659895 0.5251235 0.3509841), wk = 0.0034014 k( 191) = ( 0.0494921 0.5198950 0.3579432), wk = 0.0034014 k( 192) = ( 0.0329947 0.5146665 0.3649023), wk = 0.0034014 k( 193) = ( 0.0164974 0.5094381 0.3718613), wk = 0.0034014 k( 194) = ( 0.0000000 0.5042096 0.3788204), wk = 0.0034014 k( 195) = ( 0.0000000 0.5042096 0.3788204), wk = 0.0034014 k( 196) = ( 0.0086207 0.4943953 0.3918832), wk = 0.0034014 k( 197) = ( 0.0172414 0.4845811 0.4049460), wk = 0.0034014 k( 198) = ( 0.0258621 0.4747668 0.4180088), wk = 0.0034014 k( 199) = ( 0.0344828 0.4649525 0.4310715), wk = 0.0034014 k( 200) = ( 0.0431035 0.4551383 0.4441343), wk = 0.0034014 k( 201) = ( 0.0517241 0.4453240 0.4571971), wk = 0.0034014 k( 202) = ( 0.0603448 0.4355097 0.4702599), wk = 0.0034014 k( 203) = ( 0.0689655 0.4256955 0.4833226), wk = 0.0034014 k( 204) = ( 0.0775862 0.4158812 0.4963854), wk = 0.0034014 k( 205) = ( 0.0862069 0.4060669 0.5094482), wk = 0.0034014 k( 206) = ( 0.0948276 0.3962527 0.5225110), wk = 0.0034014 k( 207) = ( 0.1034483 0.3864384 0.5355737), wk = 0.0034014 k( 208) = ( 0.1120690 0.3766242 0.5486365), wk = 0.0034014 k( 209) = ( 0.1206897 0.3668099 0.5616993), wk = 0.0034014 k( 210) = ( 0.1293103 0.3569956 0.5747620), wk = 0.0034014 k( 211) = ( 0.1379310 0.3471814 0.5878248), wk = 0.0034014 k( 212) = ( 0.1465517 0.3373671 0.6008876), wk = 0.0034014 k( 213) = ( 0.1551724 0.3275528 0.6139504), wk = 0.0034014 k( 214) = ( 0.1637931 0.3177386 0.6270131), wk = 0.0034014 k( 215) = ( 0.1724138 0.3079243 0.6400759), wk = 0.0034014 k( 216) = ( 0.1810345 0.2981101 0.6531387), wk = 0.0034014 k( 217) = ( 0.1896552 0.2882958 0.6662015), wk = 0.0034014 k( 218) = ( 0.1982759 0.2784815 0.6792642), wk = 0.0034014 k( 219) = ( 0.2068966 0.2686673 0.6923270), wk = 0.0034014 k( 220) = ( 0.2155172 0.2588530 0.7053898), wk = 0.0034014 k( 221) = ( 0.2241379 0.2490387 0.7184526), wk = 0.0034014 k( 222) = ( 0.2327586 0.2392245 0.7315153), wk = 0.0034014 k( 223) = ( 0.2413793 0.2294102 0.7445781), wk = 0.0034014 k( 224) = ( 0.2500000 0.2195959 0.7576409), wk = 0.0034014 k( 225) = ( 0.2500000 0.2195959 0.7576409), wk = 0.0034014 k( 226) = ( 0.2604167 0.2287458 0.7454625), wk = 0.0034014 k( 227) = ( 0.2708333 0.2378956 0.7332840), wk = 0.0034014 k( 228) = ( 0.2812500 0.2470454 0.7211056), wk = 0.0034014 k( 229) = ( 0.2916667 0.2561953 0.7089272), wk = 0.0034014 k( 230) = ( 0.3020833 0.2653451 0.6967488), wk = 0.0034014 k( 231) = ( 0.3125000 0.2744949 0.6845704), wk = 0.0034014 k( 232) = ( 0.3229167 0.2836448 0.6723920), wk = 0.0034014 k( 233) = ( 0.3333333 0.2927946 0.6602135), wk = 0.0034014 k( 234) = ( 0.3437500 0.3019444 0.6480352), wk = 0.0034014 k( 235) = ( 0.3541667 0.3110943 0.6358567), wk = 0.0034014 k( 236) = ( 0.3645833 0.3202441 0.6236783), wk = 0.0034014 k( 237) = ( 0.3750000 0.3293939 0.6114999), wk = 0.0034014 k( 238) = ( 0.3854167 0.3385437 0.5993215), wk = 0.0034014 k( 239) = ( 0.3958333 0.3476936 0.5871431), wk = 0.0034014 k( 240) = ( 0.4062500 0.3568434 0.5749647), wk = 0.0034014 k( 241) = ( 0.4166667 0.3659932 0.5627863), wk = 0.0034014 k( 242) = ( 0.4270833 0.3751431 0.5506078), wk = 0.0034014 k( 243) = ( 0.4375000 0.3842929 0.5384294), wk = 0.0034014 k( 244) = ( 0.4479167 0.3934427 0.5262510), wk = 0.0034014 k( 245) = ( 0.4583333 0.4025926 0.5140726), wk = 0.0034014 k( 246) = ( 0.4687500 0.4117424 0.5018942), wk = 0.0034014 k( 247) = ( 0.4791667 0.4208922 0.4897158), wk = 0.0034014 k( 248) = ( 0.4895833 0.4300420 0.4775373), wk = 0.0034014 k( 249) = ( 0.5000000 0.4391919 0.4653589), wk = 0.0034014 k( 250) = ( 0.5000000 0.4391919 0.4653589), wk = 0.0034014 k( 251) = ( 0.5000000 0.4391919 0.4467446), wk = 0.0034014 k( 252) = ( 0.5000000 0.4391919 0.4281302), wk = 0.0034014 k( 253) = ( 0.5000000 0.4391919 0.4095159), wk = 0.0034014 k( 254) = ( 0.5000000 0.4391919 0.3909015), wk = 0.0034014 k( 255) = ( 0.5000000 0.4391919 0.3722872), wk = 0.0034014 k( 256) = ( 0.5000000 0.4391919 0.3536728), wk = 0.0034014 k( 257) = ( 0.5000000 0.4391919 0.3350584), wk = 0.0034014 k( 258) = ( 0.5000000 0.4391919 0.3164441), wk = 0.0034014 k( 259) = ( 0.5000000 0.4391919 0.2978297), wk = 0.0034014 k( 260) = ( 0.5000000 0.4391919 0.2792154), wk = 0.0034014 k( 261) = ( 0.5000000 0.4391919 0.2606010), wk = 0.0034014 k( 262) = ( 0.5000000 0.4391919 0.2419866), wk = 0.0034014 k( 263) = ( 0.5000000 0.4391919 0.2233723), wk = 0.0034014 k( 264) = ( 0.5000000 0.4391919 0.2047579), wk = 0.0034014 k( 265) = ( 0.5000000 0.4391919 0.1861436), wk = 0.0034014 k( 266) = ( 0.5000000 0.4391919 0.1675292), wk = 0.0034014 k( 267) = ( 0.5000000 0.4391919 0.1489149), wk = 0.0034014 k( 268) = ( 0.5000000 0.4391919 0.1303005), wk = 0.0034014 k( 269) = ( 0.5000000 0.4391919 0.1116861), wk = 0.0034014 k( 270) = ( 0.5000000 0.4391919 0.0930718), wk = 0.0034014 k( 271) = ( 0.5000000 0.4391919 0.0744574), wk = 0.0034014 k( 272) = ( 0.5000000 0.4391919 0.0558431), wk = 0.0034014 k( 273) = ( 0.5000000 0.4391919 0.0372287), wk = 0.0034014 k( 274) = ( 0.5000000 0.4391919 0.0186144), wk = 0.0034014 k( 275) = ( 0.5000000 0.4391919 0.0000000), wk = 0.0034014 k( 276) = ( 0.0000000 0.0000000 0.7576409), wk = 0.0034014 k( 277) = ( 0.0138889 0.0121998 0.7576409), wk = 0.0034014 k( 278) = ( 0.0277778 0.0243996 0.7576409), wk = 0.0034014 k( 279) = ( 0.0416667 0.0365993 0.7576409), wk = 0.0034014 k( 280) = ( 0.0555556 0.0487991 0.7576409), wk = 0.0034014 k( 281) = ( 0.0694444 0.0609989 0.7576409), wk = 0.0034014 k( 282) = ( 0.0833333 0.0731986 0.7576409), wk = 0.0034014 k( 283) = ( 0.0972222 0.0853984 0.7576409), wk = 0.0034014 k( 284) = ( 0.1111111 0.0975982 0.7576409), wk = 0.0034014 k( 285) = ( 0.1250000 0.1097980 0.7576409), wk = 0.0034014 k( 286) = ( 0.1388889 0.1219977 0.7576409), wk = 0.0034014 k( 287) = ( 0.1527778 0.1341975 0.7576409), wk = 0.0034014 k( 288) = ( 0.1666667 0.1463973 0.7576409), wk = 0.0034014 k( 289) = ( 0.1805556 0.1585971 0.7576409), wk = 0.0034014 k( 290) = ( 0.1944444 0.1707968 0.7576409), wk = 0.0034014 k( 291) = ( 0.2083333 0.1829966 0.7576409), wk = 0.0034014 k( 292) = ( 0.2222222 0.1951964 0.7576409), wk = 0.0034014 k( 293) = ( 0.2361111 0.2073962 0.7576409), wk = 0.0034014 k( 294) = ( 0.2500000 0.2195959 0.7576409), wk = 0.0034014 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0034014 k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0034014 k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0034014 k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0034014 k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0034014 k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0034014 k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0034014 k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0034014 k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0034014 k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0034014 k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0034014 k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0034014 k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0034014 k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0034014 k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0034014 k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0034014 k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0034014 k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0034014 k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0034014 k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034014 k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0034014 k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0034014 k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0034014 k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0034014 k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0034014 k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0034014 k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0034014 k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0034014 k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0034014 k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0034014 k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0034014 k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0034014 k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0034014 k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0034014 k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0034014 k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0034014 k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0034014 k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0034014 k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0034014 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034014 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034014 k( 43) = ( -0.0120556 0.0120556 0.5000000), wk = 0.0034014 k( 44) = ( -0.0241112 0.0241112 0.5000000), wk = 0.0034014 k( 45) = ( -0.0361668 0.0361668 0.5000000), wk = 0.0034014 k( 46) = ( -0.0482224 0.0482224 0.5000000), wk = 0.0034014 k( 47) = ( -0.0602780 0.0602780 0.5000000), wk = 0.0034014 k( 48) = ( -0.0723336 0.0723336 0.5000000), wk = 0.0034014 k( 49) = ( -0.0843892 0.0843892 0.5000000), wk = 0.0034014 k( 50) = ( -0.0964447 0.0964447 0.5000000), wk = 0.0034014 k( 51) = ( -0.1085003 0.1085003 0.5000000), wk = 0.0034014 k( 52) = ( -0.1205559 0.1205559 0.5000000), wk = 0.0034014 k( 53) = ( -0.1326115 0.1326115 0.5000000), wk = 0.0034014 k( 54) = ( -0.1446671 0.1446671 0.5000000), wk = 0.0034014 k( 55) = ( -0.1567227 0.1567227 0.5000000), wk = 0.0034014 k( 56) = ( -0.1687783 0.1687783 0.5000000), wk = 0.0034014 k( 57) = ( -0.1808339 0.1808339 0.5000000), wk = 0.0034014 k( 58) = ( -0.1928895 0.1928895 0.5000000), wk = 0.0034014 k( 59) = ( -0.1928895 0.1928895 0.5000000), wk = 0.0034014 k( 60) = ( -0.2014203 0.2014203 0.4914692), wk = 0.0034014 k( 61) = ( -0.2099512 0.2099512 0.4829383), wk = 0.0034014 k( 62) = ( -0.2184821 0.2184820 0.4744075), wk = 0.0034014 k( 63) = ( -0.2270129 0.2270129 0.4658766), wk = 0.0034014 k( 64) = ( -0.2355437 0.2355437 0.4573458), wk = 0.0034014 k( 65) = ( -0.2440746 0.2440746 0.4488149), wk = 0.0034014 k( 66) = ( -0.2526054 0.2526054 0.4402841), wk = 0.0034014 k( 67) = ( -0.2611363 0.2611363 0.4317532), wk = 0.0034014 k( 68) = ( -0.2696671 0.2696671 0.4232224), wk = 0.0034014 k( 69) = ( -0.2781980 0.2781980 0.4146915), wk = 0.0034014 k( 70) = ( -0.2867288 0.2867288 0.4061607), wk = 0.0034014 k( 71) = ( -0.2952597 0.2952597 0.3976298), wk = 0.0034014 k( 72) = ( -0.3037905 0.3037905 0.3890990), wk = 0.0034014 k( 73) = ( -0.3123214 0.3123214 0.3805681), wk = 0.0034014 k( 74) = ( -0.3208522 0.3208522 0.3720373), wk = 0.0034014 k( 75) = ( -0.3293831 0.3293831 0.3635064), wk = 0.0034014 k( 76) = ( -0.3379139 0.3379139 0.3549756), wk = 0.0034014 k( 77) = ( -0.3464448 0.3464448 0.3464448), wk = 0.0034014 k( 78) = ( -0.3464448 0.3464448 0.3464448), wk = 0.0034014 k( 79) = ( -0.3375615 0.3375615 0.3375615), wk = 0.0034014 k( 80) = ( -0.3286784 0.3286784 0.3286784), wk = 0.0034014 k( 81) = ( -0.3197952 0.3197952 0.3197952), wk = 0.0034014 k( 82) = ( -0.3109120 0.3109120 0.3109120), wk = 0.0034014 k( 83) = ( -0.3020288 0.3020288 0.3020288), wk = 0.0034014 k( 84) = ( -0.2931456 0.2931456 0.2931456), wk = 0.0034014 k( 85) = ( -0.2842624 0.2842624 0.2842624), wk = 0.0034014 k( 86) = ( -0.2753792 0.2753792 0.2753792), wk = 0.0034014 k( 87) = ( -0.2664960 0.2664960 0.2664960), wk = 0.0034014 k( 88) = ( -0.2576128 0.2576128 0.2576128), wk = 0.0034014 k( 89) = ( -0.2487296 0.2487296 0.2487296), wk = 0.0034014 k( 90) = ( -0.2398464 0.2398464 0.2398464), wk = 0.0034014 k( 91) = ( -0.2309632 0.2309632 0.2309632), wk = 0.0034014 k( 92) = ( -0.2220800 0.2220800 0.2220800), wk = 0.0034014 k( 93) = ( -0.2131968 0.2131968 0.2131968), wk = 0.0034014 k( 94) = ( -0.2043136 0.2043136 0.2043136), wk = 0.0034014 k( 95) = ( -0.1954304 0.1954304 0.1954304), wk = 0.0034014 k( 96) = ( -0.1865472 0.1865472 0.1865472), wk = 0.0034014 k( 97) = ( -0.1776640 0.1776640 0.1776640), wk = 0.0034014 k( 98) = ( -0.1687808 0.1687808 0.1687808), wk = 0.0034014 k( 99) = ( -0.1598976 0.1598976 0.1598976), wk = 0.0034014 k( 100) = ( -0.1510144 0.1510144 0.1510144), wk = 0.0034014 k( 101) = ( -0.1421312 0.1421312 0.1421312), wk = 0.0034014 k( 102) = ( -0.1332480 0.1332480 0.1332480), wk = 0.0034014 k( 103) = ( -0.1243648 0.1243648 0.1243648), wk = 0.0034014 k( 104) = ( -0.1154816 0.1154816 0.1154816), wk = 0.0034014 k( 105) = ( -0.1065984 0.1065984 0.1065984), wk = 0.0034014 k( 106) = ( -0.0977152 0.0977152 0.0977152), wk = 0.0034014 k( 107) = ( -0.0888320 0.0888320 0.0888320), wk = 0.0034014 k( 108) = ( -0.0799488 0.0799488 0.0799488), wk = 0.0034014 k( 109) = ( -0.0710656 0.0710656 0.0710656), wk = 0.0034014 k( 110) = ( -0.0621824 0.0621824 0.0621824), wk = 0.0034014 k( 111) = ( -0.0532992 0.0532992 0.0532992), wk = 0.0034014 k( 112) = ( -0.0444160 0.0444160 0.0444160), wk = 0.0034014 k( 113) = ( -0.0355328 0.0355328 0.0355328), wk = 0.0034014 k( 114) = ( -0.0266496 0.0266496 0.0266496), wk = 0.0034014 k( 115) = ( -0.0177664 0.0177664 0.0177664), wk = 0.0034014 k( 116) = ( -0.0088832 0.0088832 0.0088832), wk = 0.0034014 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 119) = ( 0.0142857 0.0142857 -0.0142857), wk = 0.0034014 k( 120) = ( 0.0285714 0.0285714 -0.0285714), wk = 0.0034014 k( 121) = ( 0.0428571 0.0428571 -0.0428571), wk = 0.0034014 k( 122) = ( 0.0571429 0.0571429 -0.0571429), wk = 0.0034014 k( 123) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0034014 k( 124) = ( 0.0857143 0.0857143 -0.0857143), wk = 0.0034014 k( 125) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0034014 k( 126) = ( 0.1142857 0.1142857 -0.1142857), wk = 0.0034014 k( 127) = ( 0.1285714 0.1285714 -0.1285714), wk = 0.0034014 k( 128) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0034014 k( 129) = ( 0.1571429 0.1571429 -0.1571429), wk = 0.0034014 k( 130) = ( 0.1714286 0.1714286 -0.1714286), wk = 0.0034014 k( 131) = ( 0.1857143 0.1857143 -0.1857143), wk = 0.0034014 k( 132) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0034014 k( 133) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0034014 k( 134) = ( 0.2285714 0.2285714 -0.2285714), wk = 0.0034014 k( 135) = ( 0.2428571 0.2428571 -0.2428571), wk = 0.0034014 k( 136) = ( 0.2571429 0.2571429 -0.2571429), wk = 0.0034014 k( 137) = ( 0.2714286 0.2714286 -0.2714286), wk = 0.0034014 k( 138) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0034014 k( 139) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0034014 k( 140) = ( 0.3142857 0.3142857 -0.3142857), wk = 0.0034014 k( 141) = ( 0.3285714 0.3285714 -0.3285714), wk = 0.0034014 k( 142) = ( 0.3428571 0.3428571 -0.3428571), wk = 0.0034014 k( 143) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0034014 k( 144) = ( 0.3714286 0.3714286 -0.3714286), wk = 0.0034014 k( 145) = ( 0.3857143 0.3857143 -0.3857143), wk = 0.0034014 k( 146) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0034014 k( 147) = ( 0.4142857 0.4142857 -0.4142857), wk = 0.0034014 k( 148) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0034014 k( 149) = ( 0.4428571 0.4428571 -0.4428571), wk = 0.0034014 k( 150) = ( 0.4571429 0.4571429 -0.4571429), wk = 0.0034014 k( 151) = ( 0.4714286 0.4714286 -0.4714286), wk = 0.0034014 k( 152) = ( 0.4857143 0.4857143 -0.4857143), wk = 0.0034014 k( 153) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034014 k( 154) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034014 k( 155) = ( 0.4914692 0.5085308 -0.4914692), wk = 0.0034014 k( 156) = ( 0.4829383 0.5170617 -0.4829383), wk = 0.0034014 k( 157) = ( 0.4744075 0.5255925 -0.4744075), wk = 0.0034014 k( 158) = ( 0.4658766 0.5341234 -0.4658766), wk = 0.0034014 k( 159) = ( 0.4573458 0.5426542 -0.4573458), wk = 0.0034014 k( 160) = ( 0.4488149 0.5511851 -0.4488149), wk = 0.0034014 k( 161) = ( 0.4402841 0.5597159 -0.4402841), wk = 0.0034014 k( 162) = ( 0.4317532 0.5682468 -0.4317532), wk = 0.0034014 k( 163) = ( 0.4232224 0.5767776 -0.4232224), wk = 0.0034014 k( 164) = ( 0.4146915 0.5853085 -0.4146915), wk = 0.0034014 k( 165) = ( 0.4061607 0.5938393 -0.4061607), wk = 0.0034014 k( 166) = ( 0.3976298 0.6023702 -0.3976298), wk = 0.0034014 k( 167) = ( 0.3890990 0.6109010 -0.3890990), wk = 0.0034014 k( 168) = ( 0.3805681 0.6194319 -0.3805681), wk = 0.0034014 k( 169) = ( 0.3720373 0.6279627 -0.3720373), wk = 0.0034014 k( 170) = ( 0.3635064 0.6364935 -0.3635065), wk = 0.0034014 k( 171) = ( 0.3549756 0.6450244 -0.3549756), wk = 0.0034014 k( 172) = ( 0.3464448 0.6535552 -0.3464447), wk = 0.0034014 k( 173) = ( 0.3464448 0.6535552 -0.3464447), wk = 0.0034014 k( 174) = ( 0.3299474 0.6462431 -0.3299474), wk = 0.0034014 k( 175) = ( 0.3134500 0.6389309 -0.3134500), wk = 0.0034014 k( 176) = ( 0.2969526 0.6316188 -0.2969526), wk = 0.0034014 k( 177) = ( 0.2804553 0.6243066 -0.2804553), wk = 0.0034014 k( 178) = ( 0.2639579 0.6169945 -0.2639579), wk = 0.0034014 k( 179) = ( 0.2474605 0.6096823 -0.2474605), wk = 0.0034014 k( 180) = ( 0.2309632 0.6023702 -0.2309632), wk = 0.0034014 k( 181) = ( 0.2144658 0.5950580 -0.2144658), wk = 0.0034014 k( 182) = ( 0.1979684 0.5877459 -0.1979684), wk = 0.0034014 k( 183) = ( 0.1814711 0.5804337 -0.1814711), wk = 0.0034014 k( 184) = ( 0.1649737 0.5731215 -0.1649737), wk = 0.0034014 k( 185) = ( 0.1484763 0.5658094 -0.1484763), wk = 0.0034014 k( 186) = ( 0.1319790 0.5584972 -0.1319790), wk = 0.0034014 k( 187) = ( 0.1154816 0.5511851 -0.1154816), wk = 0.0034014 k( 188) = ( 0.0989842 0.5438729 -0.0989842), wk = 0.0034014 k( 189) = ( 0.0824869 0.5365608 -0.0824869), wk = 0.0034014 k( 190) = ( 0.0659895 0.5292486 -0.0659895), wk = 0.0034014 k( 191) = ( 0.0494921 0.5219365 -0.0494921), wk = 0.0034014 k( 192) = ( 0.0329947 0.5146243 -0.0329947), wk = 0.0034014 k( 193) = ( 0.0164974 0.5073121 -0.0164974), wk = 0.0034014 k( 194) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034014 k( 195) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034014 k( 196) = ( 0.0086207 0.4913793 0.0086207), wk = 0.0034014 k( 197) = ( 0.0172414 0.4827586 0.0172414), wk = 0.0034014 k( 198) = ( 0.0258621 0.4741379 0.0258621), wk = 0.0034014 k( 199) = ( 0.0344828 0.4655172 0.0344828), wk = 0.0034014 k( 200) = ( 0.0431035 0.4568966 0.0431035), wk = 0.0034014 k( 201) = ( 0.0517241 0.4482759 0.0517241), wk = 0.0034014 k( 202) = ( 0.0603448 0.4396552 0.0603448), wk = 0.0034014 k( 203) = ( 0.0689655 0.4310345 0.0689655), wk = 0.0034014 k( 204) = ( 0.0775862 0.4224138 0.0775862), wk = 0.0034014 k( 205) = ( 0.0862069 0.4137931 0.0862069), wk = 0.0034014 k( 206) = ( 0.0948276 0.4051724 0.0948276), wk = 0.0034014 k( 207) = ( 0.1034483 0.3965517 0.1034483), wk = 0.0034014 k( 208) = ( 0.1120690 0.3879310 0.1120690), wk = 0.0034014 k( 209) = ( 0.1206897 0.3793103 0.1206897), wk = 0.0034014 k( 210) = ( 0.1293103 0.3706897 0.1293103), wk = 0.0034014 k( 211) = ( 0.1379310 0.3620690 0.1379310), wk = 0.0034014 k( 212) = ( 0.1465517 0.3534483 0.1465517), wk = 0.0034014 k( 213) = ( 0.1551724 0.3448276 0.1551724), wk = 0.0034014 k( 214) = ( 0.1637931 0.3362069 0.1637931), wk = 0.0034014 k( 215) = ( 0.1724138 0.3275862 0.1724138), wk = 0.0034014 k( 216) = ( 0.1810345 0.3189655 0.1810345), wk = 0.0034014 k( 217) = ( 0.1896552 0.3103448 0.1896552), wk = 0.0034014 k( 218) = ( 0.1982759 0.3017241 0.1982759), wk = 0.0034014 k( 219) = ( 0.2068966 0.2931034 0.2068966), wk = 0.0034014 k( 220) = ( 0.2155172 0.2844828 0.2155172), wk = 0.0034014 k( 221) = ( 0.2241379 0.2758621 0.2241379), wk = 0.0034014 k( 222) = ( 0.2327586 0.2672414 0.2327586), wk = 0.0034014 k( 223) = ( 0.2413793 0.2586207 0.2413793), wk = 0.0034014 k( 224) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034014 k( 225) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034014 k( 226) = ( 0.2604167 0.2604167 0.2315463), wk = 0.0034014 k( 227) = ( 0.2708333 0.2708333 0.2130925), wk = 0.0034014 k( 228) = ( 0.2812500 0.2812500 0.1946388), wk = 0.0034014 k( 229) = ( 0.2916667 0.2916667 0.1761851), wk = 0.0034014 k( 230) = ( 0.3020833 0.3020833 0.1577313), wk = 0.0034014 k( 231) = ( 0.3125000 0.3125000 0.1392776), wk = 0.0034014 k( 232) = ( 0.3229167 0.3229167 0.1208239), wk = 0.0034014 k( 233) = ( 0.3333333 0.3333333 0.1023702), wk = 0.0034014 k( 234) = ( 0.3437500 0.3437500 0.0839164), wk = 0.0034014 k( 235) = ( 0.3541667 0.3541667 0.0654627), wk = 0.0034014 k( 236) = ( 0.3645833 0.3645833 0.0470090), wk = 0.0034014 k( 237) = ( 0.3750000 0.3750000 0.0285553), wk = 0.0034014 k( 238) = ( 0.3854167 0.3854167 0.0101015), wk = 0.0034014 k( 239) = ( 0.3958333 0.3958333 -0.0083522), wk = 0.0034014 k( 240) = ( 0.4062500 0.4062500 -0.0268059), wk = 0.0034014 k( 241) = ( 0.4166667 0.4166667 -0.0452597), wk = 0.0034014 k( 242) = ( 0.4270833 0.4270833 -0.0637134), wk = 0.0034014 k( 243) = ( 0.4375000 0.4375000 -0.0821671), wk = 0.0034014 k( 244) = ( 0.4479167 0.4479167 -0.1006209), wk = 0.0034014 k( 245) = ( 0.4583333 0.4583333 -0.1190746), wk = 0.0034014 k( 246) = ( 0.4687500 0.4687500 -0.1375283), wk = 0.0034014 k( 247) = ( 0.4791667 0.4791667 -0.1559820), wk = 0.0034014 k( 248) = ( 0.4895833 0.4895833 -0.1744358), wk = 0.0034014 k( 249) = ( 0.5000000 0.5000000 -0.1928895), wk = 0.0034014 k( 250) = ( 0.5000000 0.5000000 -0.1928895), wk = 0.0034014 k( 251) = ( 0.5000000 0.5000000 -0.2051739), wk = 0.0034014 k( 252) = ( 0.5000000 0.5000000 -0.2174583), wk = 0.0034014 k( 253) = ( 0.5000000 0.5000000 -0.2297428), wk = 0.0034014 k( 254) = ( 0.5000000 0.5000000 -0.2420272), wk = 0.0034014 k( 255) = ( 0.5000000 0.5000000 -0.2543116), wk = 0.0034014 k( 256) = ( 0.5000000 0.5000000 -0.2665960), wk = 0.0034014 k( 257) = ( 0.5000000 0.5000000 -0.2788804), wk = 0.0034014 k( 258) = ( 0.5000000 0.5000000 -0.2911649), wk = 0.0034014 k( 259) = ( 0.5000000 0.5000000 -0.3034493), wk = 0.0034014 k( 260) = ( 0.5000000 0.5000000 -0.3157337), wk = 0.0034014 k( 261) = ( 0.5000000 0.5000000 -0.3280181), wk = 0.0034014 k( 262) = ( 0.5000000 0.5000000 -0.3403025), wk = 0.0034014 k( 263) = ( 0.5000000 0.5000000 -0.3525870), wk = 0.0034014 k( 264) = ( 0.5000000 0.5000000 -0.3648714), wk = 0.0034014 k( 265) = ( 0.5000000 0.5000000 -0.3771558), wk = 0.0034014 k( 266) = ( 0.5000000 0.5000000 -0.3894402), wk = 0.0034014 k( 267) = ( 0.5000000 0.5000000 -0.4017246), wk = 0.0034014 k( 268) = ( 0.5000000 0.5000000 -0.4140091), wk = 0.0034014 k( 269) = ( 0.5000000 0.5000000 -0.4262935), wk = 0.0034014 k( 270) = ( 0.5000000 0.5000000 -0.4385779), wk = 0.0034014 k( 271) = ( 0.5000000 0.5000000 -0.4508623), wk = 0.0034014 k( 272) = ( 0.5000000 0.5000000 -0.4631467), wk = 0.0034014 k( 273) = ( 0.5000000 0.5000000 -0.4754312), wk = 0.0034014 k( 274) = ( 0.5000000 0.5000000 -0.4877156), wk = 0.0034014 k( 275) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034014 k( 276) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034014 k( 277) = ( 0.0138889 0.0138889 0.4861111), wk = 0.0034014 k( 278) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0034014 k( 279) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0034014 k( 280) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0034014 k( 281) = ( 0.0694444 0.0694444 0.4305556), wk = 0.0034014 k( 282) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0034014 k( 283) = ( 0.0972222 0.0972222 0.4027778), wk = 0.0034014 k( 284) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0034014 k( 285) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0034014 k( 286) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0034014 k( 287) = ( 0.1527778 0.1527778 0.3472222), wk = 0.0034014 k( 288) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0034014 k( 289) = ( 0.1805556 0.1805556 0.3194444), wk = 0.0034014 k( 290) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0034014 k( 291) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0034014 k( 292) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0034014 k( 293) = ( 0.2361111 0.2361111 0.2638889), wk = 0.0034014 k( 294) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034014 Dense grid: 51187 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 33567 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 180, 50) NL pseudopotentials 0.28 Mb ( 90, 204) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1065) G-vector shells 0.00 Mb ( 506) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.55 Mb ( 180, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.31 Mb ( 204, 2, 50) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./InPS4.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.9 secs Computing kpt #: 2 total cpu time spent up to now is 48.2 secs Computing kpt #: 3 total cpu time spent up to now is 50.8 secs Computing kpt #: 4 total cpu time spent up to now is 53.3 secs Computing kpt #: 5 total cpu time spent up to now is 55.7 secs Computing kpt #: 6 total cpu time spent up to now is 58.0 secs Computing kpt #: 7 total cpu time spent up to now is 60.4 secs Computing kpt #: 8 total cpu time spent up to now is 62.9 secs Computing kpt #: 9 total cpu time spent up to now is 65.3 secs Computing kpt #: 10 total cpu time spent up to now is 67.8 secs Computing kpt #: 11 total cpu time spent up to now is 70.2 secs Computing kpt #: 12 total cpu time spent up to now is 72.7 secs Computing kpt #: 13 total cpu time spent up to now is 75.2 secs Computing kpt #: 14 total cpu time spent up to now is 77.9 secs Computing kpt #: 15 total cpu time spent up to now is 80.6 secs Computing kpt #: 16 total cpu time spent up to now is 83.0 secs Computing kpt #: 17 total cpu time spent up to now is 85.7 secs Computing kpt #: 18 total cpu time spent up to now is 88.0 secs Computing kpt #: 19 total cpu time spent up to now is 90.3 secs Computing kpt #: 20 total cpu time spent up to now is 92.9 secs Computing kpt #: 21 total cpu time spent up to now is 95.5 secs Computing kpt #: 22 total cpu time spent up to now is 97.9 secs Computing kpt #: 23 total cpu time spent up to now is 100.5 secs Computing kpt #: 24 total cpu time spent up to now is 103.0 secs Computing kpt #: 25 total cpu time spent up to now is 105.3 secs Computing kpt #: 26 total cpu time spent up to now is 107.6 secs Computing kpt #: 27 total cpu time spent up to now is 109.9 secs Computing kpt #: 28 total cpu time spent up to now is 112.5 secs Computing kpt #: 29 total cpu time spent up to now is 115.0 secs Computing kpt #: 30 total cpu time spent up to now is 118.4 secs Computing kpt #: 31 total cpu time spent up to now is 120.6 secs Computing kpt #: 32 total cpu time spent up to now is 123.0 secs Computing kpt #: 33 total cpu time spent up to now is 125.4 secs Computing kpt #: 34 total cpu time spent up to now is 127.8 secs Computing kpt #: 35 total cpu time spent up to now is 130.3 secs Computing kpt #: 36 total cpu time spent up to now is 132.6 secs Computing kpt #: 37 total cpu time spent up to now is 135.9 secs Computing kpt #: 38 total cpu time spent up to now is 138.3 secs Computing kpt #: 39 total cpu time spent up to now is 140.7 secs Computing kpt #: 40 total cpu time spent up to now is 142.9 secs Computing kpt #: 41 total cpu time spent up to now is 145.1 secs Computing kpt #: 42 total cpu time spent up to now is 148.8 secs Computing kpt #: 43 total cpu time spent up to now is 152.3 secs Computing kpt #: 44 total cpu time spent up to now is 154.9 secs Computing kpt #: 45 total cpu time spent up to now is 157.3 secs Computing kpt #: 46 total cpu time spent up to now is 159.6 secs Computing kpt #: 47 total cpu time spent up to now is 161.8 secs Computing kpt #: 48 total cpu time spent up to now is 164.3 secs Computing kpt #: 49 total cpu time spent up to now is 166.6 secs Computing kpt #: 50 total cpu time spent up to now is 169.0 secs Computing kpt #: 51 total cpu time spent up to now is 171.4 secs Computing kpt #: 52 total cpu time spent up to now is 173.8 secs Computing kpt #: 53 total cpu time spent up to now is 176.1 secs Computing kpt #: 54 total cpu time spent up to now is 178.4 secs Computing kpt #: 55 total cpu time spent up to now is 180.6 secs Computing kpt #: 56 total cpu time spent up to now is 182.8 secs Computing kpt #: 57 total cpu time spent up to now is 185.1 secs Computing kpt #: 58 total cpu time spent up to now is 187.3 secs Computing kpt #: 59 total cpu time spent up to now is 189.5 secs Computing kpt #: 60 total cpu time spent up to now is 191.7 secs Computing kpt #: 61 total cpu time spent up to now is 193.9 secs Computing kpt #: 62 total cpu time spent up to now is 196.2 secs Computing kpt #: 63 total cpu time spent up to now is 198.4 secs Computing kpt #: 64 total cpu time spent up to now is 201.0 secs Computing kpt #: 65 total cpu time spent up to now is 203.3 secs Computing kpt #: 66 total cpu time spent up to now is 205.4 secs Computing kpt #: 67 total cpu time spent up to now is 208.0 secs Computing kpt #: 68 total cpu time spent up to now is 210.3 secs Computing kpt #: 69 total cpu time spent up to now is 212.5 secs Computing kpt #: 70 total cpu time spent up to now is 214.6 secs Computing kpt #: 71 total cpu time spent up to now is 216.9 secs Computing kpt #: 72 total cpu time spent up to now is 219.0 secs Computing kpt #: 73 total cpu time spent up to now is 221.2 secs Computing kpt #: 74 total cpu time spent up to now is 223.3 secs Computing kpt #: 75 total cpu time spent up to now is 225.5 secs Computing kpt #: 76 total cpu time spent up to now is 227.7 secs Computing kpt #: 77 total cpu time spent up to now is 229.8 secs Computing kpt #: 78 total cpu time spent up to now is 231.9 secs Computing kpt #: 79 total cpu time spent up to now is 234.0 secs Computing kpt #: 80 total cpu time spent up to now is 236.2 secs Computing kpt #: 81 total cpu time spent up to now is 238.6 secs Computing kpt #: 82 total cpu time spent up to now is 241.0 secs Computing kpt #: 83 total cpu time spent up to now is 243.4 secs Computing kpt #: 84 total cpu time spent up to now is 245.9 secs Computing kpt #: 85 total cpu time spent up to now is 248.1 secs Computing kpt #: 86 total cpu time spent up to now is 250.2 secs Computing kpt #: 87 total cpu time spent up to now is 252.4 secs Computing kpt #: 88 total cpu time spent up to now is 254.4 secs Computing kpt #: 89 total cpu time spent up to now is 256.4 secs Computing kpt #: 90 total cpu time spent up to now is 258.4 secs Computing kpt #: 91 total cpu time spent up to now is 260.4 secs Computing kpt #: 92 total cpu time spent up to now is 262.3 secs Computing kpt #: 93 total cpu time spent up to now is 264.1 secs Computing kpt #: 94 total cpu time spent up to now is 266.0 secs Computing kpt #: 95 total cpu time spent up to now is 267.9 secs Computing kpt #: 96 total cpu time spent up to now is 269.8 secs Computing kpt #: 97 total cpu time spent up to now is 271.8 secs Computing kpt #: 98 total cpu time spent up to now is 273.7 secs Computing kpt #: 99 total cpu time spent up to now is 275.6 secs Computing kpt #: 100 total cpu time spent up to now is 277.7 secs Computing kpt #: 101 total cpu time spent up to now is 280.1 secs Computing kpt #: 102 total cpu time spent up to now is 282.2 secs Computing kpt #: 103 total cpu time spent up to now is 284.4 secs Computing kpt #: 104 total cpu time spent up to now is 286.6 secs Computing kpt #: 105 total cpu time spent up to now is 288.7 secs Computing kpt #: 106 total cpu time spent up to now is 290.9 secs Computing kpt #: 107 total cpu time spent up to now is 293.1 secs Computing kpt #: 108 total cpu time spent up to now is 295.5 secs Computing kpt #: 109 total cpu time spent up to now is 298.1 secs Computing kpt #: 110 total cpu time spent up to now is 300.6 secs Computing kpt #: 111 total cpu time spent up to now is 302.9 secs Computing kpt #: 112 total cpu time spent up to now is 305.2 secs Computing kpt #: 113 total cpu time spent up to now is 307.8 secs Computing kpt #: 114 total cpu time spent up to now is 310.1 secs Computing kpt #: 115 total cpu time spent up to now is 312.4 secs Computing kpt #: 116 total cpu time spent up to now is 314.5 secs Computing kpt #: 117 total cpu time spent up to now is 316.7 secs Computing kpt #: 118 total cpu time spent up to now is 318.7 secs Computing kpt #: 119 total cpu time spent up to now is 320.5 secs Computing kpt #: 120 total cpu time spent up to now is 323.3 secs Computing kpt #: 121 total cpu time spent up to now is 326.2 secs Computing kpt #: 122 total cpu time spent up to now is 328.8 secs Computing kpt #: 123 total cpu time spent up to now is 331.1 secs Computing kpt #: 124 total cpu time spent up to now is 333.6 secs Computing kpt #: 125 total cpu time spent up to now is 335.9 secs Computing kpt #: 126 total cpu time spent up to now is 338.2 secs Computing kpt #: 127 total cpu time spent up to now is 340.5 secs Computing kpt #: 128 total cpu time spent up to now is 342.8 secs Computing kpt #: 129 total cpu time spent up to now is 345.2 secs Computing kpt #: 130 total cpu time spent up to now is 347.6 secs Computing kpt #: 131 total cpu time spent up to now is 350.1 secs Computing kpt #: 132 total cpu time spent up to now is 352.4 secs Computing kpt #: 133 total cpu time spent up to now is 354.7 secs Computing kpt #: 134 total cpu time spent up to now is 356.9 secs Computing kpt #: 135 total cpu time spent up to now is 359.2 secs Computing kpt #: 136 total cpu time spent up to now is 361.4 secs Computing kpt #: 137 total cpu time spent up to now is 363.6 secs Computing kpt #: 138 total cpu time spent up to now is 365.8 secs Computing kpt #: 139 total cpu time spent up to now is 368.1 secs Computing kpt #: 140 total cpu time spent up to now is 370.2 secs Computing kpt #: 141 total cpu time spent up to now is 372.5 secs Computing kpt #: 142 total cpu time spent up to now is 374.5 secs Computing kpt #: 143 total cpu time spent up to now is 376.4 secs Computing kpt #: 144 total cpu time spent up to now is 378.2 secs Computing kpt #: 145 total cpu time spent up to now is 380.3 secs Computing kpt #: 146 total cpu time spent up to now is 382.1 secs Computing kpt #: 147 total cpu time spent up to now is 383.8 secs Computing kpt #: 148 total cpu time spent up to now is 385.5 secs Computing kpt #: 149 total cpu time spent up to now is 387.2 secs Computing kpt #: 150 total cpu time spent up to now is 388.9 secs Computing kpt #: 151 total cpu time spent up to now is 390.5 secs Computing kpt #: 152 total cpu time spent up to now is 392.2 secs Computing kpt #: 153 total cpu time spent up to now is 393.9 secs Computing kpt #: 154 total cpu time spent up to now is 395.7 secs Computing kpt #: 155 total cpu time spent up to now is 397.2 secs Computing kpt #: 156 total cpu time spent up to now is 398.9 secs Computing kpt #: 157 total cpu time spent up to now is 400.6 secs Computing kpt #: 158 total cpu time spent up to now is 402.2 secs Computing kpt #: 159 total cpu time spent up to now is 404.0 secs Computing kpt #: 160 total cpu time spent up to now is 405.9 secs Computing kpt #: 161 total cpu time spent up to now is 407.7 secs Computing kpt #: 162 total cpu time spent up to now is 409.5 secs Computing kpt #: 163 total cpu time spent up to now is 411.5 secs Computing kpt #: 164 total cpu time spent up to now is 413.4 secs Computing kpt #: 165 total cpu time spent up to now is 415.4 secs Computing kpt #: 166 total cpu time spent up to now is 417.4 secs Computing kpt #: 167 total cpu time spent up to now is 419.4 secs Computing kpt #: 168 total cpu time spent up to now is 421.4 secs Computing kpt #: 169 total cpu time spent up to now is 423.5 secs Computing kpt #: 170 total cpu time spent up to now is 425.6 secs Computing kpt #: 171 total cpu time spent up to now is 427.7 secs Computing kpt #: 172 total cpu time spent up to now is 429.9 secs Computing kpt #: 173 total cpu time spent up to now is 432.0 secs Computing kpt #: 174 total cpu time spent up to now is 434.3 secs Computing kpt #: 175 total cpu time spent up to now is 436.7 secs Computing kpt #: 176 total cpu time spent up to now is 439.0 secs Computing kpt #: 177 total cpu time spent up to now is 441.3 secs Computing kpt #: 178 total cpu time spent up to now is 443.6 secs Computing kpt #: 179 total cpu time spent up to now is 446.5 secs Computing kpt #: 180 total cpu time spent up to now is 450.1 secs Computing kpt #: 181 total cpu time spent up to now is 453.3 secs Computing kpt #: 182 total cpu time spent up to now is 455.6 secs Computing kpt #: 183 total cpu time spent up to now is 457.7 secs Computing kpt #: 184 total cpu time spent up to now is 459.9 secs Computing kpt #: 185 total cpu time spent up to now is 462.0 secs Computing kpt #: 186 total cpu time spent up to now is 464.1 secs Computing kpt #: 187 total cpu time spent up to now is 466.3 secs Computing kpt #: 188 total cpu time spent up to now is 468.3 secs Computing kpt #: 189 total cpu time spent up to now is 470.5 secs Computing kpt #: 190 total cpu time spent up to now is 472.5 secs Computing kpt #: 191 total cpu time spent up to now is 474.4 secs Computing kpt #: 192 total cpu time spent up to now is 476.4 secs Computing kpt #: 193 total cpu time spent up to now is 478.3 secs Computing kpt #: 194 total cpu time spent up to now is 480.2 secs Computing kpt #: 195 total cpu time spent up to now is 482.2 secs Computing kpt #: 196 total cpu time spent up to now is 484.3 secs Computing kpt #: 197 total cpu time spent up to now is 486.2 secs Computing kpt #: 198 total cpu time spent up to now is 488.2 secs Computing kpt #: 199 total cpu time spent up to now is 490.2 secs Computing kpt #: 200 total cpu time spent up to now is 492.1 secs Computing kpt #: 201 total cpu time spent up to now is 494.3 secs Computing kpt #: 202 total cpu time spent up to now is 496.5 secs Computing kpt #: 203 total cpu time spent up to now is 498.7 secs Computing kpt #: 204 total cpu time spent up to now is 500.7 secs Computing kpt #: 205 total cpu time spent up to now is 502.6 secs Computing kpt #: 206 total cpu time spent up to now is 504.7 secs Computing kpt #: 207 total cpu time spent up to now is 506.7 secs Computing kpt #: 208 total cpu time spent up to now is 508.7 secs Computing kpt #: 209 total cpu time spent up to now is 512.0 secs Computing kpt #: 210 total cpu time spent up to now is 514.0 secs Computing kpt #: 211 total cpu time spent up to now is 516.3 secs Computing kpt #: 212 total cpu time spent up to now is 518.4 secs Computing kpt #: 213 total cpu time spent up to now is 520.4 secs Computing kpt #: 214 total cpu time spent up to now is 522.5 secs Computing kpt #: 215 total cpu time spent up to now is 524.6 secs Computing kpt #: 216 total cpu time spent up to now is 526.7 secs Computing kpt #: 217 total cpu time spent up to now is 529.6 secs Computing kpt #: 218 total cpu time spent up to now is 531.6 secs Computing kpt #: 219 total cpu time spent up to now is 533.6 secs Computing kpt #: 220 total cpu time spent up to now is 535.6 secs Computing kpt #: 221 total cpu time spent up to now is 537.5 secs Computing kpt #: 222 total cpu time spent up to now is 539.3 secs Computing kpt #: 223 total cpu time spent up to now is 541.2 secs Computing kpt #: 224 total cpu time spent up to now is 543.0 secs Computing kpt #: 225 total cpu time spent up to now is 544.8 secs Computing kpt #: 226 total cpu time spent up to now is 546.6 secs Computing kpt #: 227 total cpu time spent up to now is 548.4 secs Computing kpt #: 228 total cpu time spent up to now is 550.4 secs Computing kpt #: 229 total cpu time spent up to now is 552.4 secs Computing kpt #: 230 total cpu time spent up to now is 554.6 secs Computing kpt #: 231 total cpu time spent up to now is 556.6 secs Computing kpt #: 232 total cpu time spent up to now is 558.6 secs Computing kpt #: 233 total cpu time spent up to now is 560.7 secs Computing kpt #: 234 total cpu time spent up to now is 562.9 secs Computing kpt #: 235 total cpu time spent up to now is 565.0 secs Computing kpt #: 236 total cpu time spent up to now is 567.3 secs Computing kpt #: 237 total cpu time spent up to now is 569.6 secs Computing kpt #: 238 total cpu time spent up to now is 571.8 secs Computing kpt #: 239 total cpu time spent up to now is 574.1 secs Computing kpt #: 240 total cpu time spent up to now is 576.3 secs Computing kpt #: 241 total cpu time spent up to now is 578.5 secs Computing kpt #: 242 total cpu time spent up to now is 580.8 secs Computing kpt #: 243 total cpu time spent up to now is 583.0 secs Computing kpt #: 244 total cpu time spent up to now is 585.3 secs Computing kpt #: 245 total cpu time spent up to now is 587.6 secs Computing kpt #: 246 total cpu time spent up to now is 590.1 secs Computing kpt #: 247 total cpu time spent up to now is 592.3 secs Computing kpt #: 248 total cpu time spent up to now is 594.6 secs Computing kpt #: 249 total cpu time spent up to now is 597.1 secs Computing kpt #: 250 total cpu time spent up to now is 599.3 secs Computing kpt #: 251 total cpu time spent up to now is 601.5 secs Computing kpt #: 252 total cpu time spent up to now is 603.7 secs Computing kpt #: 253 total cpu time spent up to now is 606.0 secs Computing kpt #: 254 total cpu time spent up to now is 608.3 secs Computing kpt #: 255 total cpu time spent up to now is 610.4 secs Computing kpt #: 256 total cpu time spent up to now is 612.7 secs Computing kpt #: 257 total cpu time spent up to now is 614.9 secs Computing kpt #: 258 total cpu time spent up to now is 617.1 secs Computing kpt #: 259 total cpu time spent up to now is 619.2 secs Computing kpt #: 260 total cpu time spent up to now is 621.2 secs Computing kpt #: 261 total cpu time spent up to now is 623.2 secs Computing kpt #: 262 total cpu time spent up to now is 625.0 secs Computing kpt #: 263 total cpu time spent up to now is 626.9 secs Computing kpt #: 264 total cpu time spent up to now is 628.7 secs Computing kpt #: 265 total cpu time spent up to now is 630.6 secs Computing kpt #: 266 total cpu time spent up to now is 632.4 secs Computing kpt #: 267 total cpu time spent up to now is 634.4 secs Computing kpt #: 268 total cpu time spent up to now is 636.1 secs Computing kpt #: 269 total cpu time spent up to now is 638.0 secs Computing kpt #: 270 total cpu time spent up to now is 639.7 secs Computing kpt #: 271 total cpu time spent up to now is 641.4 secs Computing kpt #: 272 total cpu time spent up to now is 643.1 secs Computing kpt #: 273 total cpu time spent up to now is 644.8 secs Computing kpt #: 274 total cpu time spent up to now is 646.4 secs Computing kpt #: 275 total cpu time spent up to now is 648.0 secs Computing kpt #: 276 total cpu time spent up to now is 650.2 secs Computing kpt #: 277 total cpu time spent up to now is 652.3 secs Computing kpt #: 278 total cpu time spent up to now is 654.5 secs Computing kpt #: 279 total cpu time spent up to now is 656.7 secs Computing kpt #: 280 total cpu time spent up to now is 658.9 secs Computing kpt #: 281 total cpu time spent up to now is 660.9 secs Computing kpt #: 282 total cpu time spent up to now is 663.1 secs Computing kpt #: 283 total cpu time spent up to now is 665.1 secs Computing kpt #: 284 total cpu time spent up to now is 667.4 secs Computing kpt #: 285 total cpu time spent up to now is 669.4 secs Computing kpt #: 286 total cpu time spent up to now is 671.4 secs Computing kpt #: 287 total cpu time spent up to now is 673.5 secs Computing kpt #: 288 total cpu time spent up to now is 675.5 secs Computing kpt #: 289 total cpu time spent up to now is 677.5 secs Computing kpt #: 290 total cpu time spent up to now is 679.4 secs Computing kpt #: 291 total cpu time spent up to now is 681.4 secs Computing kpt #: 292 total cpu time spent up to now is 683.3 secs Computing kpt #: 293 total cpu time spent up to now is 685.1 secs Computing kpt #: 294 total cpu time spent up to now is 686.9 secs ethr = 2.38E-11, avg # of iterations = 36.9 total cpu time spent up to now is 687.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4193 PWs) bands (ev): -10.8114 -10.8114 -9.8646 -9.8646 -9.8226 -9.8226 -9.1817 -9.1817 -8.9496 -8.9496 -8.9410 -8.9410 -7.2941 -7.2941 -7.2641 -7.2641 -6.8393 -6.8393 -4.0512 -4.0512 -0.5335 -0.5335 -0.5039 -0.5039 0.1717 0.1717 0.6237 0.6237 1.4951 1.4951 2.6535 2.6535 3.2415 3.2415 3.2697 3.2697 4.1075 4.1075 4.1613 4.1613 4.3558 4.3558 7.2811 7.2811 7.7643 7.7643 8.5466 8.5466 9.6489 9.6489 k = 0.0000 0.0000 0.0189 ( 4201 PWs) bands (ev): -10.8114 -10.8109 -9.8649 -9.8644 -9.8238 -9.8212 -9.1825 -9.1807 -8.9502 -8.9490 -8.9426 -8.9392 -7.2957 -7.2939 -7.2656 -7.2639 -6.8402 -6.8390 -4.0501 -4.0496 -0.5356 -0.5343 -0.5057 -0.5047 0.1714 0.1716 0.6272 0.6288 1.4944 1.4972 2.6542 2.6549 3.2397 3.2436 3.2694 3.2706 4.1040 4.1058 4.1585 4.1589 4.3530 4.3555 7.2850 7.2859 7.7657 7.7672 8.5473 8.5483 9.6452 9.6516 k = 0.0000 0.0000 0.0379 ( 4205 PWs) bands (ev): -10.8110 -10.8100 -9.8651 -9.8641 -9.8246 -9.8195 -9.1832 -9.1795 -8.9508 -8.9485 -8.9441 -8.9373 -7.2986 -7.2951 -7.2683 -7.2648 -6.8419 -6.8395 -4.0461 -4.0452 -0.5423 -0.5394 -0.5085 -0.5069 0.1708 0.1711 0.6393 0.6423 1.4951 1.5007 2.6570 2.6585 3.2378 3.2452 3.2702 3.2727 4.0944 4.0983 4.1512 4.1523 4.3475 4.3524 7.2973 7.2991 7.7713 7.7743 8.5503 8.5523 9.6403 9.6530 k = 0.0000 0.0000 0.0568 ( 4205 PWs) bands (ev): -10.8101 -10.8086 -9.8654 -9.8637 -9.8252 -9.8175 -9.1838 -9.1782 -8.9514 -8.9482 -8.9452 -8.9353 -7.3031 -7.2975 -7.2724 -7.2666 -6.8444 -6.8407 -4.0393 -4.0380 -0.5557 -0.5509 -0.5097 -0.5075 0.1697 0.1702 0.6595 0.6638 1.4973 1.5057 2.6619 2.6641 3.2348 3.2446 3.2734 3.2770 4.0770 4.0833 4.1417 4.1438 4.3391 4.3463 7.3175 7.3203 7.7809 7.7855 8.5557 8.5586 9.6346 9.6534 k = 0.0000 0.0000 0.0758 ( 4201 PWs) bands (ev): -10.8088 -10.8067 -9.8656 -9.8633 -9.8256 -9.8152 -9.1841 -9.1767 -8.9520 -8.9483 -8.9458 -8.9331 -7.3092 -7.3014 -7.2775 -7.2691 -6.8475 -6.8427 -4.0297 -4.0280 -0.5760 -0.5696 -0.5086 -0.5054 0.1682 0.1688 0.6871 0.6927 1.5010 1.5120 2.6688 2.6717 3.2299 3.2409 3.2791 3.2844 4.0511 4.0594 4.1324 4.1354 4.3280 4.3373 7.3449 7.3487 7.7942 7.8004 8.5635 8.5671 9.6282 9.6526 k = 0.0000 0.0000 0.0947 ( 4209 PWs) bands (ev): -10.8071 -10.8045 -9.8659 -9.8629 -9.8257 -9.8126 -9.1844 -9.1751 -8.9526 -8.9490 -8.9457 -8.9308 -7.3171 -7.3069 -7.2836 -7.2722 -6.8515 -6.8454 -4.0175 -4.0154 -0.6018 -0.5940 -0.5053 -0.5012 0.1661 0.1669 0.7213 0.7280 1.5062 1.5198 2.6778 2.6814 3.2227 3.2347 3.2868 3.2943 4.0178 4.0279 4.1237 4.1272 4.3142 4.3254 7.3785 7.3832 7.8111 7.8189 8.5734 8.5777 9.6214 9.6509 k = 0.0000 0.0000 0.1136 ( 4207 PWs) bands (ev): -10.8049 -10.8018 -9.8662 -9.8624 -9.8255 -9.8098 -9.1845 -9.1732 -8.9532 -8.9498 -8.9453 -8.9283 -7.3267 -7.3140 -7.2903 -7.2757 -6.8562 -6.8489 -4.0027 -4.0002 -0.6319 -0.6230 -0.5004 -0.4953 0.1635 0.1643 0.7613 0.7690 1.5129 1.5291 2.6888 2.6930 3.2134 3.2264 3.2956 3.3051 3.9793 3.9909 4.1151 4.1191 4.2978 4.3109 7.4169 7.4226 7.8310 7.8404 8.5856 8.5904 9.6144 9.6482 k = 0.0000 0.0000 0.1326 ( 4207 PWs) bands (ev): -10.8023 -10.7987 -9.8666 -9.8619 -9.8250 -9.8067 -9.1844 -9.1712 -8.9538 -8.9507 -8.9448 -8.9257 -7.3381 -7.3231 -7.2973 -7.2796 -6.8617 -6.8531 -3.9854 -3.9825 -0.6653 -0.6555 -0.4940 -0.4881 0.1601 0.1612 0.8062 0.8148 1.5213 1.5399 2.7016 2.7064 3.2021 3.2164 3.3043 3.3154 3.9383 3.9515 4.1060 4.1106 4.2789 4.2939 7.4589 7.4656 7.8535 7.8646 8.5997 8.6051 9.6074 9.6447 k = 0.0000 0.0000 0.1515 ( 4199 PWs) bands (ev): -10.7993 -10.7953 -9.8670 -9.8613 -9.8243 -9.8033 -9.1843 -9.1690 -8.9543 -8.9515 -8.9443 -8.9230 -7.3512 -7.3341 -7.3043 -7.2839 -6.8679 -6.8581 -3.9656 -3.9624 -0.7013 -0.6908 -0.4862 -0.4794 0.1561 0.1573 0.8552 0.8645 1.5313 1.5522 2.7161 2.7214 3.1887 3.2047 3.3113 3.3232 3.8981 3.9127 4.0963 4.1016 4.2577 4.2745 7.5031 7.5107 7.8783 7.8909 8.6155 8.6219 9.6009 9.6405 k = 0.0000 0.0000 0.1705 ( 4207 PWs) bands (ev): -10.7960 -10.7915 -9.8674 -9.8607 -9.8233 -9.7997 -9.1839 -9.1665 -8.9547 -8.9522 -8.9437 -8.9201 -7.3657 -7.3470 -7.3113 -7.2884 -6.8750 -6.8639 -3.9435 -3.9400 -0.7392 -0.7282 -0.4770 -0.4694 0.1513 0.1527 0.9074 0.9175 1.5431 1.5661 2.7321 2.7379 3.1731 3.1914 3.3148 3.3263 3.8623 3.8779 4.0858 4.0919 4.2342 4.2530 7.5481 7.5566 7.9049 7.9189 8.6329 8.6404 9.5950 9.6357 k = 0.0000 0.0000 0.1894 ( 4203 PWs) bands (ev): -10.7923 -10.7874 -9.8678 -9.8600 -9.8220 -9.7958 -9.1835 -9.1639 -8.9550 -8.9528 -8.9432 -8.9171 -7.3817 -7.3614 -7.3184 -7.2933 -6.8829 -6.8706 -3.9192 -3.9154 -0.7786 -0.7672 -0.4664 -0.4581 0.1458 0.1473 0.9622 0.9730 1.5567 1.5817 2.7493 2.7555 3.1547 3.1761 3.3129 3.3222 3.8348 3.8506 4.0745 4.0816 4.2087 4.2296 7.5925 7.6019 7.9328 7.9480 8.6517 8.6607 9.5900 9.6304 k = 0.0000 0.0000 0.2084 ( 4195 PWs) bands (ev): -10.7883 -10.7830 -9.8683 -9.8594 -9.8204 -9.7918 -9.1829 -9.1611 -8.9551 -8.9534 -8.9426 -8.9139 -7.3989 -7.3773 -7.3256 -7.2984 -6.8916 -6.8779 -3.8928 -3.8887 -0.8190 -0.8073 -0.4543 -0.4453 0.1394 0.1412 1.0187 1.0302 1.5723 1.5991 2.7672 2.7737 3.1332 3.1584 3.3044 3.3100 3.8188 3.8337 4.0624 4.0708 4.1815 4.2047 7.6351 7.6452 7.9617 7.9777 8.6716 8.6825 9.5859 9.6248 k = 0.0000 0.0000 0.2273 ( 4201 PWs) bands (ev): -10.7840 -10.7783 -9.8688 -9.8587 -9.8186 -9.7875 -9.1821 -9.1581 -8.9552 -8.9539 -8.9421 -8.9106 -7.4173 -7.3943 -7.3329 -7.3037 -6.9011 -6.8861 -3.8645 -3.8602 -0.8601 -0.8481 -0.4408 -0.4312 0.1323 0.1342 1.0762 1.0884 1.5898 1.6183 2.7850 2.7915 3.1080 3.1373 3.2877 3.2930 3.8156 3.8286 4.0496 4.0595 4.1531 4.1786 7.6747 7.6857 7.9910 8.0073 8.6925 8.7054 9.5829 9.6188 k = 0.0000 0.0000 0.2462 ( 4205 PWs) bands (ev): -10.7795 -10.7735 -9.8693 -9.8582 -9.8164 -9.7830 -9.1813 -9.1549 -8.9551 -8.9543 -8.9416 -8.9072 -7.4367 -7.4125 -7.3403 -7.3092 -6.9114 -6.8951 -3.8344 -3.8298 -0.9015 -0.8894 -0.4258 -0.4157 0.1244 0.1265 1.1340 1.1469 1.6094 1.6395 2.8011 2.8074 3.0795 3.1121 3.2640 3.2750 3.8243 3.8350 4.0363 4.0477 4.1238 4.1519 7.7105 7.7224 8.0200 8.0363 8.7141 8.7291 9.5809 9.6125 k = 0.0000 0.0000 0.2652 ( 4209 PWs) bands (ev): -10.7747 -10.7684 -9.8698 -9.8576 -9.8139 -9.7784 -9.1802 -9.1515 -8.9551 -8.9543 -8.9411 -8.9036 -7.4569 -7.4315 -7.3477 -7.3149 -6.9225 -6.9047 -3.8026 -3.7979 -0.9431 -0.9310 -0.4093 -0.3987 0.1157 0.1181 1.1912 1.2048 1.6312 1.6627 2.8129 2.8185 3.0503 3.0836 3.2401 3.2567 3.8427 3.8510 4.0228 4.0358 4.0945 4.1251 7.7420 7.7548 8.0481 8.0639 8.7364 8.7533 9.5794 9.6058 k = 0.0000 0.0000 0.2841 ( 4217 PWs) bands (ev): -10.7698 -10.7631 -9.8704 -9.8571 -9.8111 -9.7737 -9.1791 -9.1480 -8.9553 -8.9538 -8.9406 -8.8998 -7.4780 -7.4514 -7.3551 -7.3206 -6.9343 -6.9151 -3.7694 -3.7645 -0.9846 -0.9725 -0.3914 -0.3803 0.1064 0.1090 1.2470 1.2613 1.6553 1.6879 2.8145 2.8211 3.0261 3.0555 3.2194 3.2394 3.8673 3.8734 4.0100 4.0237 4.0664 4.0991 7.7688 7.7825 8.0743 8.0893 8.7590 8.7775 9.5777 9.5987 k = 0.0000 0.0000 0.3031 ( 4209 PWs) bands (ev): -10.7647 -10.7577 -9.8709 -9.8567 -9.8080 -9.7688 -9.1778 -9.1443 -8.9555 -8.9530 -8.9401 -8.8959 -7.4996 -7.4719 -7.3625 -7.3263 -6.9467 -6.9262 -3.7348 -3.7298 -1.0260 -1.0139 -0.3721 -0.3606 0.0965 0.0993 1.3006 1.3155 1.6816 1.7151 2.7992 2.8111 3.0137 3.0347 3.2034 3.2245 3.8935 3.8979 4.0006 4.0117 4.0419 4.0752 7.7909 7.8056 8.0978 8.1118 8.7815 8.8013 9.5743 9.5913 k = 0.0000 0.0000 0.3220 ( 4213 PWs) bands (ev): -10.7594 -10.7523 -9.8715 -9.8564 -9.8046 -9.7639 -9.1763 -9.1405 -8.9557 -8.9519 -8.9396 -8.8918 -7.5217 -7.4930 -7.3697 -7.3320 -6.9598 -6.9380 -3.6991 -3.6939 -1.0669 -1.0550 -0.3513 -0.3395 0.0861 0.0891 1.3510 1.3664 1.7098 1.7440 2.7672 2.7852 3.0144 3.0257 3.1924 3.2125 3.9098 3.9190 3.9999 4.0012 4.0265 4.0565 7.8083 7.8239 8.1179 8.1309 8.8036 8.8240 9.5674 9.5838 k = 0.0000 0.0000 0.3409 ( 4211 PWs) bands (ev): -10.7541 -10.7468 -9.8720 -9.8562 -9.8010 -9.7589 -9.1747 -9.1367 -8.9558 -8.9504 -8.9391 -8.8876 -7.5442 -7.5146 -7.3767 -7.3377 -6.9735 -6.9503 -3.6623 -3.6570 -1.1075 -1.0957 -0.3293 -0.3171 0.0753 0.0786 1.3976 1.4131 1.7395 1.7742 2.7251 2.7471 3.0232 3.0258 3.1870 3.2042 3.9077 3.9250 3.9887 4.0076 4.0312 4.0548 7.8213 7.8376 8.1339 8.1460 8.8247 8.8452 9.5566 9.5753 k = 0.0000 0.0000 0.3599 ( 4215 PWs) bands (ev): -10.7487 -10.7412 -9.8726 -9.8561 -9.7971 -9.7539 -9.1730 -9.1328 -8.9559 -8.9487 -8.9385 -8.8833 -7.5670 -7.5365 -7.3834 -7.3431 -6.9878 -6.9632 -3.6247 -3.6193 -1.1474 -1.1358 -0.3060 -0.2936 0.0643 0.0678 1.4396 1.4549 1.7696 1.8046 2.6799 2.7035 3.0284 3.0339 3.1881 3.2009 3.8930 3.9149 3.9782 3.9983 4.0624 4.0803 7.8301 7.8468 8.1454 8.1568 8.8441 8.8642 9.5430 9.5643 k = 0.0000 0.0000 0.3788 ( 4225 PWs) bands (ev): -10.7433 -10.7357 -9.8731 -9.8560 -9.7930 -9.7490 -9.1711 -9.1289 -8.9559 -8.9466 -8.9379 -8.8788 -7.5899 -7.5587 -7.3898 -7.3484 -7.0024 -6.9765 -3.5864 -3.5810 -1.1867 -1.1753 -0.2816 -0.2692 0.0532 0.0569 1.4764 1.4911 1.7990 1.8343 2.6365 2.6603 3.0289 3.0414 3.1965 3.2043 3.8738 3.8986 3.9687 3.9854 4.1035 4.1193 7.8348 7.8516 8.1522 8.1633 8.8614 8.8804 9.5274 9.5504 k = 0.0000 0.0000 0.3978 ( 4231 PWs) bands (ev): -10.7379 -10.7303 -9.8736 -9.8561 -9.7886 -9.7441 -9.1690 -9.1251 -8.9558 -8.9443 -8.9371 -8.8742 -7.6128 -7.5810 -7.3959 -7.3535 -7.0175 -6.9903 -3.5476 -3.5422 -1.2252 -1.2141 -0.2564 -0.2439 0.0423 0.0462 1.5075 1.5210 1.8260 1.8617 2.5987 2.6217 3.0251 3.0430 3.2108 3.2156 3.8541 3.8818 3.9603 3.9741 4.1486 4.1634 7.8355 7.8520 8.1543 8.1655 8.8756 8.8931 9.5104 9.5342 k = 0.0000 0.0000 0.4167 ( 4231 PWs) bands (ev): -10.7326 -10.7250 -9.8740 -9.8563 -9.7841 -9.7394 -9.1668 -9.1215 -8.9556 -8.9421 -8.9357 -8.8694 -7.6357 -7.6033 -7.4015 -7.3583 -7.0328 -7.0045 -3.5085 -3.5031 -1.2629 -1.2521 -0.2306 -0.2181 0.0319 0.0360 1.5319 1.5438 1.8494 1.8857 2.5689 2.5905 3.0173 3.0385 3.2288 3.2340 3.8363 3.8665 3.9534 3.9654 4.1955 4.2098 7.8321 7.8481 8.1522 8.1636 8.8863 8.9019 9.4925 9.5161 k = 0.0000 0.0000 0.4356 ( 4223 PWs) bands (ev): -10.7273 -10.7197 -9.8744 -9.8566 -9.7794 -9.7347 -9.1644 -9.1180 -8.9553 -8.9405 -8.9333 -8.8646 -7.6583 -7.6256 -7.4066 -7.3627 -7.0484 -7.0189 -3.4692 -3.4639 -1.2996 -1.2893 -0.2045 -0.1922 0.0223 0.0267 1.5488 1.5586 1.8688 1.9060 2.5486 2.5683 3.0070 3.0296 3.2491 3.2559 3.8221 3.8542 3.9483 3.9597 4.2432 4.2570 7.8246 7.8398 8.1462 8.1580 8.8930 8.9063 9.4742 9.4967 k = 0.0000 0.0000 0.4546 ( 4215 PWs) bands (ev): -10.7222 -10.7147 -9.8748 -9.8569 -9.7747 -9.7303 -9.1619 -9.1148 -8.9550 -8.9395 -8.9296 -8.8598 -7.6806 -7.6477 -7.4112 -7.3668 -7.0640 -7.0335 -3.4301 -3.4248 -1.3354 -1.3254 -0.1788 -0.1668 0.0140 0.0188 1.5569 1.5646 1.8849 1.9231 2.5374 2.5551 2.9955 3.0183 3.2702 3.2785 3.8125 3.8459 3.9451 3.9569 4.2909 4.3043 7.8128 7.8270 8.1371 8.1491 8.8952 8.9061 9.4556 9.4760 k = 0.0000 0.0000 0.4735 ( 4211 PWs) bands (ev): -10.7171 -10.7098 -9.8751 -9.8574 -9.7698 -9.7261 -9.1593 -9.1119 -8.9545 -8.9390 -8.9250 -8.8549 -7.7025 -7.6696 -7.4153 -7.3705 -7.0796 -7.0482 -3.3912 -3.3860 -1.3701 -1.3605 -0.1545 -0.1430 0.0078 0.0132 1.5554 1.5610 1.8995 1.9386 2.5334 2.5493 2.9846 3.0067 3.2902 3.2997 3.8086 3.8425 3.9444 3.9569 4.3381 4.3511 7.7964 7.8096 8.1254 8.1376 8.8930 8.9015 9.4367 9.4543 k = 0.0000 0.0000 0.4925 ( 4221 PWs) bands (ev): -10.7123 -10.7051 -9.8753 -9.8580 -9.7649 -9.7221 -9.1565 -9.1093 -8.9540 -8.9387 -8.9197 -8.8501 -7.7238 -7.6910 -7.4187 -7.3739 -7.0951 -7.0630 -3.3528 -3.3478 -1.4037 -1.3945 -0.1328 -0.1221 0.0051 0.0115 1.5442 1.5481 1.9146 1.9542 2.5333 2.5483 2.9758 2.9966 3.3076 3.3183 3.8109 3.8445 3.9464 3.9598 4.3844 4.3968 7.7754 7.7875 8.1120 8.1241 8.8865 8.8927 9.4172 9.4311 k = 0.0000 0.0000 0.5114 ( 4221 PWs) bands (ev): -10.7076 -10.7007 -9.8755 -9.8586 -9.7599 -9.7185 -9.1536 -9.1072 -8.9535 -8.9385 -8.9137 -8.8453 -7.7443 -7.7120 -7.4215 -7.3768 -7.1104 -7.0777 -3.3152 -3.3103 -1.4360 -1.4272 -0.1157 -0.1061 0.0076 0.0152 1.5242 1.5271 1.9314 1.9711 2.5335 2.5486 2.9702 2.9896 3.3217 3.3334 3.8196 3.8522 3.9511 3.9655 4.4293 4.4411 7.7498 7.7610 8.0973 8.1092 8.8761 8.8804 9.3963 9.4062 k = 0.0000 0.0000 0.5303 ( 4207 PWs) bands (ev): -10.7032 -10.6966 -9.8756 -9.8593 -9.7550 -9.7152 -9.1506 -9.1054 -8.9528 -8.9384 -8.9072 -8.8407 -7.7640 -7.7324 -7.4236 -7.3794 -7.1253 -7.0923 -3.2785 -3.2738 -1.4669 -1.4586 -0.1048 -0.0964 0.0168 0.0256 1.4974 1.4999 1.9505 1.9897 2.5312 2.5470 2.9688 2.9870 3.3321 3.3448 3.8343 3.8652 3.9589 3.9740 4.4725 4.4835 7.7197 7.7301 8.0820 8.0935 8.8626 8.8656 9.3727 9.3792 k = 0.0000 0.0000 0.5493 ( 4203 PWs) bands (ev): -10.6990 -10.6927 -9.8756 -9.8601 -9.7501 -9.7123 -9.1476 -9.1041 -8.9521 -8.9384 -8.9002 -8.8363 -7.7827 -7.7521 -7.4250 -7.3816 -7.1396 -7.1066 -3.2431 -3.2386 -1.4963 -1.4886 -0.0999 -0.0928 0.0325 0.0419 1.4660 1.4683 1.9715 2.0100 2.5244 2.5414 2.9718 2.9889 3.3393 3.3526 3.8539 3.8824 3.9698 3.9854 4.5136 4.5238 7.6857 7.6954 8.0665 8.0773 8.8465 8.8495 9.3448 9.3504 k = 0.0000 0.0000 0.5682 ( 4207 PWs) bands (ev): -10.6950 -10.6892 -9.8756 -9.8609 -9.7453 -9.7097 -9.1444 -9.1032 -8.9514 -8.9385 -8.8929 -8.8322 -7.8002 -7.7709 -7.4257 -7.3835 -7.1533 -7.1206 -3.2093 -3.2050 -1.5241 -1.5169 -0.0992 -0.0931 0.0525 0.0620 1.4321 1.4344 1.9941 2.0314 2.5129 2.5309 2.9782 2.9947 3.3441 3.3577 3.8767 3.9022 3.9844 4.0000 4.5522 4.5616 7.6485 7.6577 8.0510 8.0610 8.8289 8.8328 9.3132 9.3197 k = 0.0000 0.0000 0.5872 ( 4207 PWs) bands (ev): -10.6914 -10.6859 -9.8755 -9.8618 -9.7406 -9.7076 -9.1412 -9.1028 -8.9506 -8.9387 -8.8852 -8.8284 -7.8164 -7.7887 -7.4258 -7.3851 -7.1661 -7.1341 -3.1772 -3.1732 -1.5500 -1.5434 -0.1010 -0.0957 0.0746 0.0838 1.3975 1.3999 2.0175 2.0536 2.4969 2.5158 2.9869 3.0029 3.3476 3.3609 3.9007 3.9225 4.0031 4.0179 4.5881 4.5967 7.6091 7.6179 8.0359 8.0449 8.8113 8.8161 9.2797 9.2869 k = 0.0000 0.0000 0.6061 ( 4216 PWs) bands (ev): -10.6880 -10.6831 -9.8752 -9.8628 -9.7361 -9.7059 -9.1380 -9.1027 -8.9498 -8.9389 -8.8775 -8.8252 -7.8312 -7.8055 -7.4252 -7.3866 -7.1779 -7.1471 -3.1473 -3.1436 -1.5740 -1.5680 -0.1038 -0.0992 0.0972 0.1058 1.3638 1.3661 2.0413 2.0759 2.4777 2.4970 2.9963 3.0118 3.3506 3.3633 3.9239 3.9414 4.0257 4.0392 4.6211 4.6287 7.5688 7.5770 8.0213 8.0292 8.7944 8.8000 9.2460 9.2532 k = 0.0000 0.0000 0.6251 ( 4214 PWs) bands (ev): -10.6850 -10.6805 -9.8749 -9.8637 -9.7317 -9.7047 -9.1348 -9.1031 -8.9490 -8.9393 -8.8697 -8.8225 -7.8444 -7.8209 -7.4240 -7.3880 -7.1885 -7.1594 -3.1198 -3.1165 -1.5959 -1.5905 -0.1069 -0.1030 0.1191 0.1270 1.3320 1.3342 2.0649 2.0978 2.4565 2.4760 3.0051 3.0199 3.3539 3.3655 3.9449 3.9580 4.0515 4.0632 4.6508 4.6575 7.5288 7.5364 8.0073 8.0142 8.7791 8.7851 9.2135 9.2203 k = 0.0000 0.0000 0.6440 ( 4206 PWs) bands (ev): -10.6823 -10.6784 -9.8745 -9.8647 -9.7276 -9.7039 -9.1316 -9.1038 -8.9481 -8.9396 -8.8621 -8.8205 -7.8559 -7.8350 -7.4222 -7.3895 -7.1976 -7.1709 -3.0951 -3.0921 -1.6153 -1.6106 -0.1100 -0.1066 0.1395 0.1465 1.3031 1.3051 2.0879 2.1189 2.4345 2.4540 3.0124 3.0263 3.3578 3.3681 3.9629 3.9723 4.0787 4.0888 4.6770 4.6828 7.4905 7.4974 7.9944 8.0002 8.7657 8.7718 9.1833 9.1895 k = 0.0000 0.0000 0.6629 ( 4206 PWs) bands (ev): -10.6799 -10.6766 -9.8740 -9.8657 -9.7236 -9.7036 -9.1285 -9.1048 -8.9472 -8.9401 -8.8547 -8.8192 -7.8655 -7.8475 -7.4199 -7.3911 -7.2052 -7.1814 -3.0734 -3.0709 -1.6322 -1.6282 -0.1127 -0.1099 0.1578 0.1638 1.2777 1.2794 2.1099 2.1385 2.4130 2.4320 3.0180 3.0305 3.3623 3.3710 3.9779 3.9845 4.1056 4.1141 4.6996 4.7044 7.4554 7.4614 7.9827 7.9874 8.7546 8.7604 9.1565 9.1618 k = 0.0000 0.0000 0.6819 ( 4192 PWs) bands (ev): -10.6778 -10.6752 -9.8735 -9.8667 -9.7200 -9.7037 -9.1254 -9.1062 -8.9464 -8.9406 -8.8477 -8.8187 -7.8731 -7.8583 -7.4171 -7.3930 -7.2111 -7.1909 -3.0552 -3.0531 -1.6462 -1.6430 -0.1149 -0.1127 0.1736 0.1785 1.2563 1.2578 2.1304 2.1561 2.3931 2.4111 3.0220 3.0326 3.3670 3.3740 3.9900 3.9945 4.1303 4.1372 4.7184 4.7222 7.4247 7.4296 7.9726 7.9762 8.7459 8.7511 9.1337 9.1381 k = 0.0000 0.0000 0.7008 ( 4198 PWs) bands (ev): -10.6762 -10.6742 -9.8728 -9.8677 -9.7167 -9.7043 -9.1224 -9.1078 -8.9455 -8.9411 -8.8412 -8.8192 -7.8787 -7.8674 -7.4140 -7.3952 -7.2150 -7.1992 -3.0406 -3.0390 -1.6573 -1.6549 -0.1166 -0.1149 0.1864 0.1901 1.2393 1.2405 2.1490 2.1706 2.3762 2.3921 3.0247 3.0331 3.3716 3.3769 3.9995 4.0024 4.1513 4.1566 4.7332 4.7361 7.3995 7.4034 7.9643 7.9671 8.7395 8.7438 9.1154 9.1189 k = 0.0000 0.0000 0.7198 ( 4194 PWs) bands (ev): -10.6749 -10.6735 -9.8721 -9.8687 -9.7136 -9.7053 -9.1196 -9.1098 -8.9447 -8.9417 -8.8354 -8.8206 -7.8822 -7.8745 -7.4106 -7.3977 -7.2170 -7.2061 -3.0299 -3.0288 -1.6653 -1.6636 -0.1178 -0.1167 0.1960 0.1985 1.2270 1.2278 2.1649 2.1810 2.3637 2.3760 3.0266 3.0325 3.3755 3.3791 4.0063 4.0081 4.1675 4.1711 4.7440 4.7459 7.3810 7.3836 7.9583 7.9601 8.7354 8.7384 9.1023 9.1047 k = 0.0000 0.0000 0.7387 ( 4192 PWs) bands (ev): -10.6740 -10.6733 -9.8713 -9.8696 -9.7110 -9.7068 -9.1168 -9.1119 -8.9439 -8.9424 -8.8304 -8.8229 -7.8835 -7.8796 -7.4072 -7.4006 -7.2171 -7.2115 -3.0233 -3.0228 -1.6699 -1.6691 -0.1184 -0.1178 0.2020 0.2033 1.2197 1.2201 2.1771 2.1859 2.3571 2.3639 3.0283 3.0313 3.3784 3.3802 4.0105 4.0114 4.1780 4.1798 4.7507 4.7517 7.3698 7.3712 7.9548 7.9557 8.7333 8.7349 9.0945 9.0957 k = 0.0000 0.0000 0.7576 ( 4188 PWs) bands (ev): -10.6734 -10.6734 -9.8705 -9.8705 -9.7087 -9.7087 -9.1143 -9.1143 -8.9431 -8.9431 -8.8262 -8.8262 -7.8826 -7.8826 -7.4038 -7.4038 -7.2152 -7.2152 -3.0209 -3.0209 -1.6712 -1.6712 -0.1184 -0.1184 0.2045 0.2045 1.2174 1.2174 2.1845 2.1845 2.3572 2.3572 3.0298 3.0298 3.3800 3.3800 4.0122 4.0122 4.1821 4.1821 4.7533 4.7533 7.3665 7.3665 7.9539 7.9539 8.7332 8.7332 9.0923 9.0923 k = 0.0000 0.0000 0.7576 ( 4188 PWs) bands (ev): -10.6734 -10.6734 -9.8705 -9.8705 -9.7087 -9.7087 -9.1143 -9.1143 -8.9431 -8.9431 -8.8262 -8.8262 -7.8826 -7.8826 -7.4038 -7.4038 -7.2152 -7.2152 -3.0209 -3.0209 -1.6712 -1.6712 -0.1184 -0.1184 0.2045 0.2045 1.2174 1.2174 2.1845 2.1845 2.3572 2.3572 3.0298 3.0298 3.3800 3.3800 4.0122 4.0122 4.1821 4.1821 4.7533 4.7533 7.3665 7.3665 7.9539 7.9539 8.7332 8.7332 9.0923 9.0923 k =-0.0121 0.0137 0.7576 ( 4192 PWs) bands (ev): -10.6746 -10.6723 -9.8723 -9.8686 -9.7127 -9.7046 -9.1201 -9.1084 -8.9436 -8.9427 -8.8279 -8.8245 -7.8827 -7.8820 -7.4054 -7.4028 -7.2169 -7.2144 -3.0203 -3.0200 -1.6700 -1.6697 -0.1185 -0.1178 0.2045 0.2046 1.2141 1.2162 2.1839 2.1873 2.3517 2.3575 3.0288 3.0353 3.3792 3.3800 4.0089 4.0127 4.1807 4.1848 4.7522 4.7526 7.3678 7.3679 7.9539 7.9551 8.7337 8.7353 9.0928 9.0945 k =-0.0241 0.0274 0.7576 ( 4194 PWs) bands (ev): -10.6759 -10.6713 -9.8738 -9.8666 -9.7165 -9.7005 -9.1259 -9.1024 -8.9441 -8.9424 -8.8297 -8.8230 -7.8823 -7.8809 -7.4074 -7.4023 -7.2195 -7.2146 -3.0184 -3.0177 -1.6661 -1.6655 -0.1181 -0.1167 0.2045 0.2049 1.2063 1.2105 2.1853 2.1920 2.3411 2.3524 3.0324 3.0449 3.3776 3.3792 4.0028 4.0101 4.1806 4.1885 4.7492 4.7500 7.3719 7.3721 7.9551 7.9574 8.7366 8.7399 9.0958 9.0992 k =-0.0362 0.0412 0.7576 ( 4178 PWs) bands (ev): -10.6772 -10.6703 -9.8752 -9.8645 -9.7203 -9.6962 -9.1315 -9.0964 -8.9446 -8.9421 -8.8316 -8.8215 -7.8814 -7.8794 -7.4099 -7.4023 -7.2230 -7.2158 -3.0150 -3.0140 -1.6594 -1.6586 -0.1172 -0.1152 0.2048 0.2052 1.1943 1.2004 2.1887 2.1986 2.3263 2.3426 3.0402 3.0581 3.3751 3.3776 3.9944 4.0047 4.1817 4.1929 4.7444 4.7455 7.3787 7.3789 7.9572 7.9608 8.7420 8.7470 9.1015 9.1064 k =-0.0482 0.0549 0.7576 ( 4196 PWs) bands (ev): -10.6785 -10.6694 -9.8764 -9.8622 -9.7239 -9.6919 -9.1370 -9.0904 -8.9451 -8.9418 -8.8335 -8.8201 -7.8800 -7.8773 -7.4129 -7.4028 -7.2274 -7.2178 -3.0104 -3.0090 -1.6502 -1.6491 -0.1158 -0.1131 0.2051 0.2057 1.1781 1.1860 2.1936 2.2068 2.3079 2.3286 3.0516 3.0742 3.3720 3.3752 3.9841 3.9967 4.1838 4.1977 4.7377 4.7393 7.3880 7.3883 7.9602 7.9649 8.7495 8.7564 9.1095 9.1159 k =-0.0603 0.0686 0.7576 ( 4196 PWs) bands (ev): -10.6799 -10.6687 -9.8774 -9.8600 -9.7274 -9.6876 -9.1424 -9.0844 -8.9457 -8.9416 -8.8354 -8.8188 -7.8781 -7.8749 -7.4162 -7.4038 -7.2325 -7.2208 -3.0044 -3.0028 -1.6384 -1.6371 -0.1139 -0.1106 0.2056 0.2064 1.1582 1.1677 2.1997 2.2157 2.2875 2.3118 3.0660 3.0924 3.3681 3.3722 3.9722 3.9866 4.1865 4.2025 4.7293 4.7312 7.3998 7.4001 7.9636 7.9695 8.7590 8.7680 9.1196 9.1272 k =-0.0723 0.0823 0.7576 ( 4204 PWs) bands (ev): -10.6813 -10.6680 -9.8781 -9.8576 -9.7308 -9.6832 -9.1475 -9.0784 -8.9464 -8.9415 -8.8374 -8.8176 -7.8758 -7.8720 -7.4199 -7.4053 -7.2385 -7.2245 -2.9973 -2.9953 -1.6242 -1.6226 -0.1115 -0.1075 0.2062 0.2072 1.1348 1.1456 2.2054 2.2233 2.2678 2.2939 3.0826 3.1117 3.3637 3.3687 3.9590 3.9747 4.1896 4.2072 4.7192 4.7215 7.4138 7.4142 7.9671 7.9742 8.7701 8.7813 9.1316 9.1401 k =-0.0844 0.0961 0.7576 ( 4204 PWs) bands (ev): -10.6828 -10.6674 -9.8786 -9.8553 -9.7341 -9.6788 -9.1524 -9.0725 -8.9470 -8.9414 -8.8395 -8.8166 -7.8731 -7.8688 -7.4239 -7.4073 -7.2450 -7.2291 -2.9890 -2.9868 -1.6076 -1.6057 -0.1085 -0.1039 0.2070 0.2081 1.1082 1.1202 2.2074 2.2210 2.2583 2.2786 3.1006 3.1316 3.3588 3.3648 3.9449 3.9614 4.1928 4.2116 4.7075 4.7101 7.4298 7.4303 7.9702 7.9785 8.7822 8.7960 9.1448 9.1537 k =-0.0964 0.1098 0.7576 ( 4196 PWs) bands (ev): -10.6842 -10.6670 -9.8788 -9.8529 -9.7372 -9.6744 -9.1571 -9.0667 -8.9477 -8.9413 -8.8415 -8.8156 -7.8701 -7.8653 -7.4281 -7.4097 -7.2522 -7.2344 -2.9798 -2.9773 -1.5888 -1.5867 -0.1050 -0.0998 0.2079 0.2093 1.0788 1.0917 2.1962 2.2082 2.2630 2.2731 3.1191 3.1510 3.3537 3.3609 3.9300 3.9471 4.1960 4.2155 4.6942 4.6971 7.4475 7.4482 7.9723 7.9818 8.7947 8.8115 9.1579 9.1662 k =-0.1085 0.1235 0.7576 ( 4198 PWs) bands (ev): -10.6857 -10.6667 -9.8788 -9.8505 -9.7402 -9.6701 -9.1614 -9.0610 -8.9485 -8.9413 -8.8436 -8.8148 -7.8667 -7.8615 -7.4326 -7.4125 -7.2598 -7.2404 -2.9698 -2.9670 -1.5680 -1.5656 -0.1009 -0.0951 0.2091 0.2106 1.0469 1.0605 2.1732 2.1914 2.2701 2.2817 3.1374 3.1693 3.3487 3.3575 3.9147 3.9321 4.1989 4.2190 4.6794 4.6826 7.4665 7.4674 7.9731 7.9837 8.8067 8.8271 9.1605 9.1720 k =-0.1206 0.1372 0.7576 ( 4206 PWs) bands (ev): -10.6871 -10.6665 -9.8784 -9.8482 -9.7431 -9.6659 -9.1655 -9.0554 -8.9492 -8.9413 -8.8457 -8.8141 -7.8631 -7.8575 -7.4371 -7.4156 -7.2679 -7.2470 -2.9590 -2.9560 -1.5452 -1.5426 -0.0963 -0.0898 0.2105 0.2122 1.0129 1.0270 2.1480 2.1700 2.2804 2.2957 3.1544 3.1854 3.3441 3.3553 3.8989 3.9165 4.2015 4.2220 4.6632 4.6668 7.4863 7.4876 7.9718 7.9836 8.8171 8.8418 9.1369 9.1662 k =-0.1326 0.1510 0.7576 ( 4202 PWs) bands (ev): -10.6886 -10.6664 -9.8778 -9.8459 -9.7458 -9.6618 -9.1692 -9.0499 -8.9500 -8.9414 -8.8478 -8.8135 -7.8593 -7.8535 -7.4417 -7.4190 -7.2763 -7.2540 -2.9477 -2.9444 -1.5208 -1.5179 -0.0911 -0.0841 0.2122 0.2141 0.9772 0.9916 2.1229 2.1470 2.2932 2.3111 3.1690 3.1984 3.3406 3.3551 3.8830 3.9005 4.2037 4.2244 4.6458 4.6496 7.5064 7.5081 7.9681 7.9809 8.8248 8.8545 9.1111 9.1457 k =-0.1447 0.1647 0.7576 ( 4192 PWs) bands (ev): -10.6900 -10.6664 -9.8769 -9.8436 -9.7483 -9.6578 -9.1725 -9.0446 -8.9509 -8.9415 -8.8498 -8.8130 -7.8554 -7.8493 -7.4463 -7.4226 -7.2849 -7.2615 -2.9360 -2.9325 -1.4948 -1.4917 -0.0852 -0.0777 0.2141 0.2163 0.9402 0.9546 2.0986 2.1239 2.3073 2.3270 3.1800 3.2074 3.3392 3.3579 3.8670 3.8845 4.2055 4.2263 4.6273 4.6314 7.5262 7.5286 7.9616 7.9752 8.8288 8.8642 9.0903 9.1225 k =-0.1567 0.1784 0.7576 ( 4192 PWs) bands (ev): -10.6914 -10.6666 -9.8758 -9.8414 -9.7508 -9.6541 -9.1754 -9.0395 -8.9517 -8.9416 -8.8519 -8.8127 -7.8515 -7.8453 -7.4507 -7.4264 -7.2936 -7.2694 -2.9241 -2.9204 -1.4675 -1.4641 -0.0789 -0.0709 0.2164 0.2187 0.9021 0.9166 2.0756 2.1016 2.3222 2.3432 3.1862 3.2119 3.3407 3.3638 3.8511 3.8684 4.2070 4.2277 4.6077 4.6121 7.5450 7.5483 7.9522 7.9664 8.8288 8.8700 9.0754 9.1023 k =-0.1688 0.1921 0.7576 ( 4196 PWs) bands (ev): -10.6928 -10.6669 -9.8743 -9.8392 -9.7530 -9.6506 -9.1779 -9.0346 -8.9527 -8.9418 -8.8539 -8.8125 -7.8477 -7.8413 -7.4549 -7.4303 -7.3023 -7.2775 -2.9121 -2.9082 -1.4391 -1.4355 -0.0720 -0.0636 0.2189 0.2215 0.8635 0.8778 2.0545 2.0808 2.3374 2.3595 3.1868 3.2118 3.3458 3.3728 3.8352 3.8525 4.2081 4.2287 4.5873 4.5919 7.5621 7.5664 7.9399 7.9544 8.8254 8.8717 9.0650 9.0862 k =-0.1808 0.2059 0.7576 ( 4192 PWs) bands (ev): -10.6942 -10.6673 -9.8726 -9.8371 -9.7552 -9.6474 -9.1799 -9.0300 -8.9536 -8.9420 -8.8558 -8.8124 -7.8440 -7.8376 -7.4589 -7.4342 -7.3110 -7.2857 -2.9002 -2.8961 -1.4098 -1.4060 -0.0646 -0.0558 0.2217 0.2247 0.8247 0.8387 2.0353 2.0618 2.3526 2.3755 3.1823 3.2075 3.3545 3.3841 3.8195 3.8369 4.2089 4.2293 4.5662 4.5711 7.5765 7.5823 7.9252 7.9396 8.8200 8.8698 9.0571 9.0734 k =-0.1929 0.2196 0.7576 ( 4190 PWs) bands (ev): -10.6955 -10.6679 -9.8706 -9.8351 -9.7571 -9.6445 -9.1813 -9.0256 -8.9547 -8.9422 -8.8576 -8.8125 -7.8405 -7.8341 -7.4624 -7.4379 -7.3195 -7.2940 -2.8885 -2.8843 -1.3798 -1.3759 -0.0567 -0.0477 0.2248 0.2281 0.7862 0.7997 2.0186 2.0450 2.3677 2.3911 3.1738 3.1996 3.3658 3.3965 3.8040 3.8216 4.2093 4.2294 4.5446 4.5496 7.5872 7.5951 7.9088 7.9227 8.8137 8.8654 9.0491 9.0622 k =-0.1929 0.2196 0.7576 ( 4190 PWs) bands (ev): -10.6955 -10.6679 -9.8706 -9.8351 -9.7571 -9.6445 -9.1813 -9.0256 -8.9547 -8.9422 -8.8576 -8.8125 -7.8405 -7.8341 -7.4624 -7.4379 -7.3195 -7.2940 -2.8885 -2.8843 -1.3798 -1.3759 -0.0567 -0.0477 0.2248 0.2281 0.7862 0.7997 2.0186 2.0450 2.3677 2.3911 3.1738 3.1996 3.3658 3.3965 3.8040 3.8216 4.2093 4.2294 4.5446 4.5496 7.5872 7.5951 7.9088 7.9227 8.8137 8.8654 9.0491 9.0622 k =-0.2014 0.2293 0.7447 ( 4186 PWs) bands (ev): -10.6965 -10.6684 -9.8688 -9.8332 -9.7593 -9.6423 -9.1817 -9.0226 -8.9567 -8.9422 -8.8564 -8.8142 -7.8403 -7.8330 -7.4649 -7.4415 -7.3236 -7.2963 -2.8828 -2.8784 -1.3552 -1.3514 -0.0456 -0.0365 0.2185 0.2230 0.7604 0.7726 2.0111 2.0396 2.3810 2.4083 3.1598 3.1847 3.3540 3.3856 3.8060 3.8249 4.2192 4.2369 4.5266 4.5320 7.5871 7.5964 7.8980 7.9119 8.8239 8.8786 9.0357 9.0420 k =-0.2100 0.2390 0.7318 ( 4187 PWs) bands (ev): -10.6976 -10.6691 -9.8669 -9.8313 -9.7614 -9.6407 -9.1817 -9.0198 -8.9587 -8.9422 -8.8555 -8.8161 -7.8395 -7.8316 -7.4679 -7.4463 -7.3257 -7.2974 -2.8788 -2.8743 -1.3293 -1.3257 -0.0336 -0.0244 0.2099 0.2155 0.7371 0.7480 2.0011 2.0311 2.3994 2.4299 3.1429 3.1664 3.3442 3.3758 3.8066 3.8270 4.2250 4.2403 4.5101 4.5163 7.5861 7.5971 7.8885 7.9024 8.8256 8.8818 9.0299 9.0351 k =-0.2185 0.2487 0.7189 ( 4185 PWs) bands (ev): -10.6986 -10.6700 -9.8648 -9.8296 -9.7635 -9.6396 -9.1814 -9.0172 -8.9608 -8.9422 -8.8550 -8.8181 -7.8384 -7.8299 -7.4714 -7.4521 -7.3260 -7.2972 -2.8764 -2.8718 -1.3024 -1.2988 -0.0207 -0.0115 0.1989 0.2059 0.7166 0.7260 1.9893 2.0203 2.4220 2.4552 3.1226 3.1444 3.3375 3.3680 3.8058 3.8276 4.2257 4.2389 4.4962 4.5036 7.5839 7.5968 7.8804 7.8943 8.8176 8.8723 9.0332 9.0426 k =-0.2270 0.2584 0.7059 ( 4181 PWs) bands (ev): -10.6997 -10.6710 -9.8627 -9.8278 -9.7654 -9.6391 -9.1807 -9.0148 -8.9630 -8.9422 -8.8549 -8.8201 -7.8368 -7.8280 -7.4754 -7.4587 -7.3247 -7.2958 -2.8755 -2.8708 -1.2748 -1.2712 -0.0071 0.0022 0.1858 0.1941 0.6987 0.7067 1.9760 2.0076 2.4483 2.4838 3.0987 3.1187 3.3342 3.3627 3.8035 3.8267 4.2208 4.2324 4.4859 4.4946 7.5803 7.5953 7.8739 7.8878 8.8016 8.8528 9.0461 9.0579 k =-0.2355 0.2682 0.6930 ( 4187 PWs) bands (ev): -10.7007 -10.6721 -9.8605 -9.8262 -9.7672 -9.6390 -9.1797 -9.0126 -8.9651 -8.9423 -8.8552 -8.8221 -7.8349 -7.8258 -7.4799 -7.4657 -7.3222 -7.2935 -2.8757 -2.8710 -1.2467 -1.2432 0.0070 0.0162 0.1710 0.1805 0.6834 0.6902 1.9620 1.9938 2.4776 2.5149 3.0712 3.0898 3.3343 3.3604 3.7997 3.8242 4.2102 4.2211 4.4795 4.4894 7.5754 7.5927 7.8686 7.8826 8.7807 8.8280 9.0641 9.0766 k =-0.2441 0.2779 0.6801 ( 4187 PWs) bands (ev): -10.7017 -10.6733 -9.8582 -9.8247 -9.7688 -9.6394 -9.1785 -9.0106 -8.9672 -8.9424 -8.8559 -8.8239 -7.8327 -7.8236 -7.4848 -7.4728 -7.3188 -7.2903 -2.8771 -2.8722 -1.2186 -1.2150 0.0210 0.0302 0.1552 0.1657 0.6705 0.6763 1.9474 1.9792 2.5092 2.5480 3.0407 3.0585 3.3375 3.3610 3.7943 3.8201 4.1944 4.2053 4.4769 4.4876 7.5695 7.5891 7.8645 7.8786 8.7573 8.8010 9.0834 9.0956 k =-0.2526 0.2876 0.6672 ( 4181 PWs) bands (ev): -10.7026 -10.6745 -9.8559 -9.8233 -9.7701 -9.6402 -9.1771 -9.0089 -8.9692 -8.9425 -8.8572 -8.8255 -7.8303 -7.8212 -7.4902 -7.4796 -7.3149 -7.2866 -2.8792 -2.8743 -1.1907 -1.1871 0.0338 0.0429 0.1398 0.1509 0.6596 0.6650 1.9328 1.9643 2.5427 2.5828 3.0079 3.0253 3.3433 3.3644 3.7874 3.8143 4.1747 4.1862 4.4772 4.4885 7.5628 7.5847 7.8612 7.8755 8.7330 8.7734 9.1019 9.1129 k =-0.2611 0.2973 0.6542 ( 4189 PWs) bands (ev): -10.7035 -10.6757 -9.8537 -9.8222 -9.7711 -9.6413 -9.1756 -9.0073 -8.9710 -8.9426 -8.8589 -8.8267 -7.8278 -7.8187 -7.4961 -7.4855 -7.3108 -7.2826 -2.8820 -2.8769 -1.1634 -1.1598 0.0432 0.0521 0.1275 0.1387 0.6506 0.6559 1.9183 1.9495 2.5776 2.6188 2.9736 2.9912 3.3514 3.3701 3.7791 3.8069 4.1523 4.1646 4.4797 4.4911 7.5558 7.5798 7.8584 7.8730 8.7086 8.7462 9.1183 9.1278 k =-0.2697 0.3070 0.6413 ( 4185 PWs) bands (ev): -10.7043 -10.6769 -9.8516 -9.8214 -9.7717 -9.6428 -9.1740 -9.0060 -8.9726 -8.9427 -8.8610 -8.8277 -7.8253 -7.8161 -7.5025 -7.4906 -7.3066 -7.2784 -2.8851 -2.8800 -1.1371 -1.1334 0.0445 0.0535 0.1231 0.1336 0.6431 0.6487 1.9042 1.9349 2.6134 2.6556 2.9385 2.9566 3.3614 3.3781 3.7693 3.7979 4.1284 4.1417 4.4833 4.4948 7.5488 7.5750 7.8560 7.8708 8.6850 8.7200 9.1318 9.1400 k =-0.2782 0.3167 0.6284 ( 4193 PWs) bands (ev): -10.7050 -10.6780 -9.8496 -9.8209 -9.7719 -9.6445 -9.1724 -9.0049 -8.9739 -8.9429 -8.8635 -8.8283 -7.8227 -7.8134 -7.5089 -7.4948 -7.3025 -7.2743 -2.8883 -2.8832 -1.1122 -1.1085 0.0355 0.0450 0.1287 0.1385 0.6369 0.6430 1.8908 1.9208 2.6499 2.6927 2.9035 2.9221 3.3731 3.3878 3.7581 3.7873 4.1040 4.1183 4.4875 4.4988 7.5422 7.5704 7.8536 7.8687 8.6625 8.6951 9.1423 9.1496 k =-0.2867 0.3264 0.6154 ( 4197 PWs) bands (ev): -10.7056 -10.6791 -9.8477 -9.8207 -9.7716 -9.6463 -9.1709 -9.0041 -8.9749 -8.9430 -8.8663 -8.8285 -7.8203 -7.8106 -7.5150 -7.4984 -7.2989 -7.2705 -2.8916 -2.8864 -1.0892 -1.0855 0.0199 0.0298 0.1411 0.1506 0.6319 0.6385 1.8782 1.9073 2.6866 2.7294 2.8695 2.8884 3.3861 3.3990 3.7456 3.7752 4.0799 4.0953 4.4917 4.5027 7.5364 7.5665 7.8513 7.8665 8.6414 8.6719 9.1499 9.1570 k =-0.2953 0.3361 0.6025 ( 4200 PWs) bands (ev): -10.7061 -10.6801 -9.8459 -9.8210 -9.7708 -9.6483 -9.1695 -9.0035 -8.9755 -8.9431 -8.8692 -8.8286 -7.8179 -7.8078 -7.5207 -7.5013 -7.2957 -7.2672 -2.8946 -2.8894 -1.0685 -1.0646 0.0017 0.0115 0.1568 0.1662 0.6277 0.6348 1.8665 1.8946 2.7230 2.7640 2.8387 2.8561 3.4003 3.4115 3.7319 3.7617 4.0569 4.0734 4.4954 4.5062 7.5316 7.5635 7.8489 7.8642 8.6220 8.6505 9.1551 9.1629 k =-0.3038 0.3459 0.5896 ( 4211 PWs) bands (ev): -10.7066 -10.6809 -9.8444 -9.8215 -9.7697 -9.6502 -9.1683 -9.0032 -8.9757 -8.9432 -8.8723 -8.8284 -7.8158 -7.8050 -7.5257 -7.5036 -7.2930 -7.2645 -2.8972 -2.8920 -1.0505 -1.0465 -0.0168 -0.0075 0.1738 0.1831 0.6241 0.6317 1.8560 1.8830 2.7572 2.7822 2.8228 2.8297 3.4152 3.4248 3.7172 3.7467 4.0355 4.0533 4.4985 4.5090 7.5281 7.5617 7.8464 7.8617 8.6045 8.6311 9.1586 9.1674 k =-0.3123 0.3556 0.5767 ( 4217 PWs) bands (ev): -10.7069 -10.6817 -9.8431 -9.8223 -9.7682 -9.6521 -9.1674 -9.0031 -8.9754 -8.9432 -8.8754 -8.8280 -7.8137 -7.8023 -7.5299 -7.5052 -7.2911 -7.2625 -2.8993 -2.8941 -1.0356 -1.0314 -0.0345 -0.0260 0.1912 0.2005 0.6209 0.6290 1.8468 1.8725 2.7605 2.7787 2.8128 2.8521 3.4307 3.4388 3.7014 3.7304 4.0162 4.0354 4.5008 4.5110 7.5261 7.5612 7.8438 7.8591 8.5889 8.6139 9.1610 9.1710 k =-0.3209 0.3653 0.5637 ( 4213 PWs) bands (ev): -10.7072 -10.6822 -9.8420 -9.8234 -9.7665 -9.6538 -9.1667 -9.0031 -8.9748 -8.9433 -8.8784 -8.8274 -7.8119 -7.7997 -7.5334 -7.5061 -7.2900 -7.2614 -2.9007 -2.8955 -1.0242 -1.0198 -0.0506 -0.0431 0.2085 0.2176 0.6180 0.6265 1.8389 1.8632 2.7340 2.7590 2.8396 2.8862 3.4466 3.4532 3.6849 3.7130 3.9997 4.0202 4.5022 4.5121 7.5256 7.5622 7.8412 7.8564 8.5753 8.5989 9.1627 9.1739 k =-0.3294 0.3750 0.5508 ( 4211 PWs) bands (ev): -10.7073 -10.6826 -9.8412 -9.8245 -9.7647 -9.6553 -9.1665 -9.0032 -8.9739 -8.9433 -8.8813 -8.8267 -7.8103 -7.7972 -7.5359 -7.5064 -7.2896 -7.2612 -2.9014 -2.8962 -1.0167 -1.0119 -0.0646 -0.0582 0.2250 0.2341 0.6153 0.6242 1.8326 1.8554 2.7074 2.7338 2.8732 2.9212 3.4625 3.4675 3.6678 3.6947 3.9861 4.0081 4.5026 4.5122 7.5269 7.5648 7.8386 7.8536 8.5639 8.5863 9.1642 9.1766 k =-0.3379 0.3847 0.5379 ( 4211 PWs) bands (ev): -10.7074 -10.6828 -9.8408 -9.8257 -9.7630 -9.6564 -9.1665 -9.0033 -8.9727 -8.9433 -8.8840 -8.8258 -7.8089 -7.7950 -7.5375 -7.5059 -7.2901 -7.2619 -2.9014 -2.8962 -1.0132 -1.0080 -0.0762 -0.0709 0.2406 0.2495 0.6127 0.6220 1.8279 1.8491 2.6822 2.7095 2.9069 2.9555 3.4781 3.4817 3.6504 3.6758 3.9759 3.9993 4.5021 4.5114 7.5300 7.5689 7.8360 7.8508 8.5548 8.5761 9.1657 9.1791 k =-0.3464 0.3944 0.5250 ( 4211 PWs) bands (ev): -10.7074 -10.6829 -9.8408 -9.8267 -9.7613 -9.6572 -9.1669 -9.0035 -8.9712 -8.9432 -8.8866 -8.8249 -7.8077 -7.7931 -7.5382 -7.5047 -7.2915 -7.2636 -2.9005 -2.8953 -1.0138 -1.0082 -0.0852 -0.0809 0.2549 0.2635 0.6103 0.6200 1.8249 1.8445 2.6587 2.6867 2.9397 2.9888 3.4932 3.4954 3.6332 3.6567 3.9691 3.9940 4.5007 4.5097 7.5347 7.5746 7.8335 7.8481 8.5479 8.5685 9.1673 9.1817 k =-0.3464 0.3944 0.5250 ( 4211 PWs) bands (ev): -10.7074 -10.6829 -9.8408 -9.8267 -9.7613 -9.6572 -9.1669 -9.0035 -8.9712 -8.9432 -8.8866 -8.8249 -7.8077 -7.7931 -7.5382 -7.5047 -7.2915 -7.2636 -2.9005 -2.8953 -1.0138 -1.0082 -0.0852 -0.0809 0.2549 0.2635 0.6103 0.6200 1.8249 1.8445 2.6587 2.6867 2.9397 2.9888 3.4932 3.4954 3.6332 3.6567 3.9691 3.9940 4.5007 4.5097 7.5347 7.5746 7.8335 7.8481 8.5479 8.5685 9.1673 9.1817 k =-0.3376 0.3843 0.5115 ( 4207 PWs) bands (ev): -10.7076 -10.6831 -9.8436 -9.8278 -9.7612 -9.6601 -9.1693 -9.0049 -8.9708 -8.9426 -8.8905 -8.8253 -7.8013 -7.7847 -7.5420 -7.5069 -7.2773 -7.2490 -2.9223 -2.9169 -1.0175 -1.0117 -0.1051 -0.1005 0.2545 0.2623 0.6414 0.6523 1.7951 1.8159 2.6665 2.6948 2.9586 3.0073 3.4762 3.4829 3.6407 3.6624 3.9498 3.9760 4.5148 4.5238 7.5690 7.6089 7.8535 7.8684 8.5461 8.5686 9.2403 9.2541 k =-0.3287 0.3742 0.4980 ( 4209 PWs) bands (ev): -10.7079 -10.6837 -9.8464 -9.8288 -9.7609 -9.6637 -9.1712 -9.0068 -8.9706 -8.9421 -8.8945 -8.8260 -7.7947 -7.7759 -7.5444 -7.5079 -7.2626 -7.2341 -2.9464 -2.9409 -1.0211 -1.0151 -0.1249 -0.1201 0.2520 0.2589 0.6779 0.6899 1.7682 1.7902 2.6708 2.6985 2.9809 3.0284 3.4587 3.4682 3.6438 3.6657 3.9316 3.9589 4.5262 4.5351 7.6054 7.6449 7.8749 7.8899 8.5438 8.5681 9.3129 9.3259 k =-0.3198 0.3641 0.4846 ( 4217 PWs) bands (ev): -10.7083 -10.6846 -9.8490 -9.8298 -9.7606 -9.6682 -9.1726 -9.0094 -8.9703 -8.9418 -8.8988 -8.8269 -7.7878 -7.7668 -7.5452 -7.5077 -7.2475 -7.2188 -2.9729 -2.9673 -1.0246 -1.0184 -0.1447 -0.1396 0.2476 0.2538 0.7192 0.7322 1.7441 1.7672 2.6711 2.6979 3.0065 3.0523 3.4420 3.4531 3.6420 3.6652 3.9146 3.9426 4.5344 4.5432 7.6433 7.6820 7.8977 7.9125 8.5418 8.5679 9.3836 9.3950 k =-0.3109 0.3540 0.4711 ( 4217 PWs) bands (ev): -10.7089 -10.6858 -9.8514 -9.8308 -9.7603 -9.6733 -9.1735 -9.0126 -8.9701 -8.9416 -8.9030 -8.8282 -7.7806 -7.7573 -7.5445 -7.5062 -7.2320 -7.2032 -3.0016 -2.9958 -1.0279 -1.0215 -0.1643 -0.1590 0.2420 0.2475 0.7647 0.7786 1.7230 1.7470 2.6675 2.6931 3.0348 3.0786 3.4267 3.4388 3.6351 3.6604 3.8987 3.9271 4.5393 4.5480 7.6826 7.7199 7.9218 7.9363 8.5409 8.5688 9.4481 9.4574 k =-0.3020 0.3438 0.4577 ( 4213 PWs) bands (ev): -10.7097 -10.6873 -9.8536 -9.8318 -9.7599 -9.6791 -9.1740 -9.0166 -8.9700 -8.9415 -8.9072 -8.8297 -7.7729 -7.7473 -7.5421 -7.5035 -7.2162 -7.1873 -3.0323 -3.0265 -1.0309 -1.0243 -0.1837 -0.1782 0.2354 0.2403 0.8136 0.8284 1.7046 1.7295 2.6603 2.6845 3.0652 3.1071 3.4131 3.4256 3.6240 3.6516 3.8837 3.9120 4.5405 4.5491 7.7226 7.7577 7.9473 7.9613 8.5418 8.5715 9.4932 9.5023 k =-0.2931 0.3337 0.4442 ( 4213 PWs) bands (ev): -10.7106 -10.6892 -9.8557 -9.8328 -9.7597 -9.6855 -9.1741 -9.0213 -8.9699 -8.9416 -8.9113 -8.8316 -7.7646 -7.7368 -7.5383 -7.4996 -7.2002 -7.1713 -3.0650 -3.0591 -1.0336 -1.0267 -0.2029 -0.1971 0.2281 0.2325 0.8653 0.8809 1.6889 1.7146 2.6499 2.6730 3.0972 3.1373 3.4011 3.4133 3.6098 3.6396 3.8691 3.8970 4.5379 4.5464 7.7629 7.7948 7.9744 7.9878 8.5452 8.5766 9.4990 9.5096 k =-0.2843 0.3236 0.4307 ( 4207 PWs) bands (ev): -10.7117 -10.6915 -9.8575 -9.8337 -9.7594 -9.6924 -9.1740 -9.0268 -8.9697 -8.9418 -8.9151 -8.8337 -7.7557 -7.7256 -7.5331 -7.4948 -7.1839 -7.1552 -3.0993 -3.0934 -1.0358 -1.0287 -0.2218 -0.2158 0.2204 0.2243 0.9191 0.9355 1.6756 1.7019 2.6370 2.6591 3.1299 3.1687 3.3901 3.4017 3.5942 3.6257 3.8547 3.8818 4.5313 4.5399 7.8025 7.8303 8.0029 8.0163 8.5514 8.5846 9.4750 9.4841 k =-0.2754 0.3135 0.4173 ( 4215 PWs) bands (ev): -10.7131 -10.6941 -9.8592 -9.8347 -9.7593 -9.6997 -9.1736 -9.0331 -8.9696 -8.9421 -8.9185 -8.8362 -7.7459 -7.7139 -7.5267 -7.4889 -7.1675 -7.1390 -3.1352 -3.1293 -1.0373 -1.0301 -0.2404 -0.2341 0.2125 0.2160 0.9740 0.9913 1.6646 1.6913 2.6225 2.6440 3.1627 3.2006 3.3792 3.3898 3.5788 3.6115 3.8402 3.8662 4.5209 4.5295 7.8407 7.8632 8.0330 8.0475 8.5606 8.5955 9.4374 9.4447 k =-0.2665 0.3034 0.4038 ( 4217 PWs) bands (ev): -10.7147 -10.6970 -9.8606 -9.8356 -9.7592 -9.7074 -9.1730 -9.0401 -8.9694 -8.9426 -8.9217 -8.8390 -7.7354 -7.7014 -7.5191 -7.4822 -7.1510 -7.1228 -3.1725 -3.1666 -1.0381 -1.0307 -0.2586 -0.2521 0.2046 0.2078 1.0294 1.0474 1.6553 1.6823 2.6076 2.6287 3.1947 3.2321 3.3674 3.3765 3.5659 3.5988 3.8258 3.8504 4.5066 4.5153 7.8765 7.8930 8.0644 8.0818 8.5727 8.6094 9.3925 9.3984 k =-0.2576 0.2933 0.3904 ( 4221 PWs) bands (ev): -10.7166 -10.7003 -9.8619 -9.8366 -9.7593 -9.7154 -9.1722 -9.0478 -8.9692 -8.9432 -8.9244 -8.8420 -7.7239 -7.6881 -7.5105 -7.4748 -7.1344 -7.1066 -3.2109 -3.2050 -1.0380 -1.0305 -0.2764 -0.2697 0.1968 0.1997 1.0844 1.1031 1.6474 1.6746 2.5935 2.6144 3.2246 3.2620 3.3531 3.3608 3.5575 3.5892 3.8117 3.8345 4.4885 4.4975 7.9092 7.9193 8.0975 8.1187 8.5874 8.6259 9.3433 9.3477 k =-0.2487 0.2832 0.3769 ( 4217 PWs) bands (ev): -10.7187 -10.7039 -9.8629 -9.8376 -9.7596 -9.7234 -9.1713 -9.0559 -8.9690 -8.9439 -8.9267 -8.8454 -7.7114 -7.6741 -7.5012 -7.4667 -7.1179 -7.0905 -3.2502 -3.2444 -1.0369 -1.0292 -0.2937 -0.2868 0.1893 0.1920 1.1379 1.1573 1.6402 1.6674 2.5818 2.6024 3.2514 3.2884 3.3352 3.3427 3.5557 3.5847 3.7985 3.8191 4.4670 4.4763 7.9380 7.9424 8.1322 8.1576 8.6038 8.6443 9.2917 9.2945 k =-0.2398 0.2731 0.3634 ( 4225 PWs) bands (ev): -10.7210 -10.7078 -9.8638 -9.8385 -9.7601 -9.7316 -9.1704 -9.0645 -8.9687 -8.9447 -8.9287 -8.8489 -7.6980 -7.6593 -7.4911 -7.4581 -7.1015 -7.0746 -3.2903 -3.2845 -1.0346 -1.0267 -0.3106 -0.3035 0.1821 0.1847 1.1890 1.2090 1.6329 1.6600 2.5738 2.5943 3.2737 3.3026 3.3132 3.3291 3.5615 3.5865 3.7867 3.8047 4.4424 4.4521 7.9609 7.9637 8.1682 8.1974 8.6208 8.6630 9.2397 9.2413 k =-0.2310 0.2629 0.3500 ( 4227 PWs) bands (ev): -10.7237 -10.7120 -9.8646 -9.8395 -9.7608 -9.7397 -9.1695 -9.0734 -8.9683 -8.9455 -8.9304 -8.8527 -7.6835 -7.6437 -7.4805 -7.4491 -7.0853 -7.0588 -3.3310 -3.3252 -1.0309 -1.0229 -0.3270 -0.3197 0.1753 0.1778 1.2368 1.2572 1.6248 1.6518 2.5713 2.5916 3.2833 3.2861 3.2937 3.3379 3.5750 3.5955 3.7770 3.7922 4.4150 4.4253 7.9774 7.9839 8.2049 8.2372 8.6363 8.6800 9.1896 9.1912 k =-0.2221 0.2528 0.3365 ( 4229 PWs) bands (ev): -10.7266 -10.7165 -9.8651 -9.8406 -9.7618 -9.7476 -9.1686 -9.0823 -8.9680 -8.9464 -8.9318 -8.8566 -7.6681 -7.6275 -7.4695 -7.4397 -7.0692 -7.0434 -3.3720 -3.3663 -1.0258 -1.0177 -0.3428 -0.3353 0.1691 0.1716 1.2803 1.3008 1.6149 1.6420 2.5756 2.5955 3.2548 3.2588 3.3026 3.3484 3.5953 3.6119 3.7698 3.7823 4.3854 4.3965 7.9902 8.0002 8.2415 8.2763 8.6475 8.6919 9.1451 9.1479 k =-0.2132 0.2427 0.3231 ( 4225 PWs) bands (ev): -10.7297 -10.7212 -9.8656 -9.8416 -9.7634 -9.7550 -9.1678 -9.0913 -8.9675 -8.9472 -8.9331 -8.8607 -7.6517 -7.6105 -7.4581 -7.4300 -7.0534 -7.0282 -3.4132 -3.4076 -1.0191 -1.0109 -0.3581 -0.3504 0.1634 0.1660 1.3187 1.3387 1.6025 1.6301 2.5880 2.6072 3.2224 3.2275 3.3078 3.3535 3.6209 3.6349 3.7652 3.7757 4.3542 4.3661 7.9993 8.0120 8.2770 8.3138 8.6509 8.6944 9.1114 9.1151 k =-0.2043 0.2326 0.3096 ( 4221 PWs) bands (ev): -10.7331 -10.7261 -9.8659 -9.8427 -9.7667 -9.7606 -9.1671 -9.1002 -8.9671 -8.9480 -8.9342 -8.8649 -7.6345 -7.5929 -7.4466 -7.4202 -7.0379 -7.0134 -3.4545 -3.4489 -1.0107 -1.0024 -0.3727 -0.3650 0.1584 0.1610 1.3511 1.3698 1.5874 1.6163 2.6091 2.6273 3.1882 3.1941 3.3080 3.3533 3.6502 3.6629 3.7631 3.7733 4.3221 4.3351 8.0044 8.0191 8.3104 8.3490 8.6431 8.6833 9.0925 9.0974 k =-0.1954 0.2225 0.2961 ( 4217 PWs) bands (ev): -10.7367 -10.7312 -9.8661 -9.8439 -9.7726 -9.7636 -9.1664 -9.1089 -8.9666 -8.9487 -8.9351 -8.8691 -7.6164 -7.5748 -7.4350 -7.4103 -7.0228 -6.9989 -3.4956 -3.4901 -1.0005 -0.9922 -0.3867 -0.3789 0.1541 0.1568 1.3760 1.3925 1.5701 1.6014 2.6391 2.6562 3.1529 3.1592 3.3042 3.3487 3.6814 3.6937 3.7633 3.7758 4.2897 4.3041 8.0050 8.0212 8.3402 8.3810 8.6233 8.6581 9.0893 9.0974 k =-0.1865 0.2124 0.2827 ( 4213 PWs) bands (ev): -10.7406 -10.7364 -9.8662 -9.8451 -9.7791 -9.7658 -9.1660 -9.1172 -8.9660 -8.9493 -8.9360 -8.8735 -7.5977 -7.5563 -7.4233 -7.4004 -7.0080 -6.9849 -3.5364 -3.5309 -0.9885 -0.9801 -0.4001 -0.3921 0.1506 0.1533 1.3910 1.4049 1.5524 1.5877 2.6773 2.6932 3.1172 3.1235 3.2976 3.3410 3.7124 3.7235 3.7670 3.7842 4.2581 4.2743 8.0008 8.0179 8.3640 8.4079 8.5946 8.6228 9.1005 9.1127 k =-0.1777 0.2023 0.2692 ( 4217 PWs) bands (ev): -10.7446 -10.7417 -9.8662 -9.8463 -9.7855 -9.7680 -9.1657 -9.1252 -8.9655 -8.9499 -8.9368 -8.8778 -7.5783 -7.5374 -7.4118 -7.3906 -6.9937 -6.9714 -3.5766 -3.5713 -0.9745 -0.9661 -0.4127 -0.4047 0.1478 0.1506 1.3922 1.4050 1.5380 1.5781 2.7227 2.7373 3.0818 3.0878 3.2892 3.3313 3.7386 3.7460 3.7785 3.8018 4.2281 4.2465 7.9913 8.0088 8.3771 8.4252 8.5643 8.5867 9.1227 9.1389 k =-0.1688 0.1921 0.2558 ( 4211 PWs) bands (ev): -10.7488 -10.7471 -9.8661 -9.8477 -9.7915 -9.7703 -9.1656 -9.1326 -8.9648 -8.9504 -8.9376 -8.8821 -7.5585 -7.5184 -7.4003 -7.3808 -6.9798 -6.9585 -3.6162 -3.6110 -0.9586 -0.9501 -0.4246 -0.4166 0.1457 0.1485 1.3775 1.3910 1.5306 1.5739 2.7733 2.7870 3.0476 3.0528 3.2799 3.3207 3.7539 3.7580 3.8026 3.8297 4.2008 4.2221 7.9762 7.9938 8.3721 8.4216 8.5452 8.5623 9.1526 9.1720 k =-0.1599 0.1820 0.2423 ( 4219 PWs) bands (ev): -10.7532 -10.7525 -9.8660 -9.8491 -9.7970 -9.7728 -9.1657 -9.1396 -8.9642 -8.9507 -8.9383 -8.8863 -7.5383 -7.4992 -7.3890 -7.3712 -6.9665 -6.9460 -3.6550 -3.6499 -0.9407 -0.9323 -0.4358 -0.4279 0.1444 0.1472 1.3494 1.3635 1.5300 1.5739 2.8259 2.8395 3.0166 3.0201 3.2706 3.3097 3.7607 3.7655 3.8333 3.8629 4.1774 4.2022 7.9553 7.9726 8.3455 8.3897 8.5461 8.5567 9.1873 9.2092 k =-0.1510 0.1719 0.2288 ( 4215 PWs) bands (ev): -10.7579 -10.7576 -9.8658 -9.8506 -9.8020 -9.7754 -9.1660 -9.1459 -8.9635 -8.9510 -8.9390 -8.8905 -7.5179 -7.4801 -7.3780 -7.3619 -6.9538 -6.9342 -3.6928 -3.6878 -0.9209 -0.9125 -0.4462 -0.4384 0.1438 0.1466 1.3120 1.3260 1.5328 1.5757 2.8727 2.8882 2.9946 2.9954 3.2620 3.2991 3.7647 3.7700 3.8651 3.8974 4.1592 4.1879 7.9286 7.9454 8.3038 8.3412 8.5582 8.5642 9.2246 9.2485 k =-0.1421 0.1618 0.2154 ( 4219 PWs) bands (ev): -10.7632 -10.7621 -9.8656 -9.8522 -9.8064 -9.7783 -9.1666 -9.1515 -8.9628 -8.9513 -8.9397 -8.8946 -7.4975 -7.4612 -7.3673 -7.3529 -6.9416 -6.9230 -3.7295 -3.7246 -0.8992 -0.8908 -0.4558 -0.4482 0.1439 0.1466 1.2683 1.2819 1.5362 1.5775 2.8926 2.9096 2.9990 3.0031 3.2547 3.2894 3.7677 3.7725 3.8961 3.9310 4.1471 4.1799 7.8965 7.9124 8.2547 8.2869 8.5726 8.5769 9.2633 9.2886 k =-0.1332 0.1517 0.2019 ( 4221 PWs) bands (ev): -10.7685 -10.7666 -9.8653 -9.8538 -9.8103 -9.7813 -9.1675 -9.1564 -8.9620 -8.9514 -8.9403 -8.8986 -7.4772 -7.4426 -7.3569 -7.3441 -6.9300 -6.9124 -3.7649 -3.7602 -0.8757 -0.8673 -0.4647 -0.4572 0.1446 0.1472 1.2202 1.2335 1.5388 1.5782 2.8793 2.8933 3.0411 3.0443 3.2490 3.2807 3.7706 3.7743 3.9253 3.9622 4.1421 4.1784 7.8591 7.8741 8.2032 8.2314 8.5859 8.5901 9.3022 9.3288 k =-0.1244 0.1416 0.1884 ( 4219 PWs) bands (ev): -10.7735 -10.7711 -9.8651 -9.8555 -9.8136 -9.7844 -9.1689 -9.1604 -8.9612 -8.9514 -8.9410 -8.9025 -7.4572 -7.4245 -7.3468 -7.3358 -6.9190 -6.9025 -3.7989 -3.7943 -0.8505 -0.8422 -0.4728 -0.4656 0.1458 0.1483 1.1693 1.1822 1.5400 1.5774 2.8551 2.8669 3.0910 3.0951 3.2458 3.2734 3.7748 3.7771 3.9525 3.9901 4.1446 4.1831 7.8171 7.8311 8.1517 8.1766 8.5968 8.6014 9.3408 9.3683 k =-0.1155 0.1315 0.1750 ( 4217 PWs) bands (ev): -10.7784 -10.7756 -9.8648 -9.8571 -9.8164 -9.7876 -9.1710 -9.1633 -8.9604 -8.9514 -8.9416 -8.9062 -7.4376 -7.4070 -7.3371 -7.3278 -6.9087 -6.8933 -3.8312 -3.8269 -0.8237 -0.8155 -0.4801 -0.4732 0.1474 0.1499 1.1166 1.1290 1.5397 1.5749 2.8290 2.8394 3.1368 3.1440 3.2458 3.2675 3.7818 3.7835 3.9774 4.0140 4.1545 4.1931 7.7712 7.7841 8.1016 8.1239 8.6047 8.6097 9.3785 9.4068 k =-0.1066 0.1214 0.1615 ( 4213 PWs) bands (ev): -10.7831 -10.7800 -9.8645 -9.8586 -9.8188 -9.7909 -9.1734 -9.1655 -8.9595 -8.9513 -8.9422 -8.9098 -7.4186 -7.3903 -7.3279 -7.3202 -6.8991 -6.8847 -3.8619 -3.8577 -0.7956 -0.7876 -0.4867 -0.4801 0.1495 0.1518 1.0628 1.0748 1.5380 1.5708 2.8036 2.8129 3.1728 3.1864 3.2505 3.2631 3.7933 3.7960 4.0002 4.0339 4.1704 4.2072 7.7222 7.7340 8.0538 8.0737 8.6091 8.6147 9.4151 9.4439 k =-0.0977 0.1112 0.1481 ( 4211 PWs) bands (ev): -10.7875 -10.7842 -9.8643 -9.8600 -9.8207 -9.7942 -9.1758 -9.1671 -8.9586 -8.9511 -8.9428 -8.9132 -7.4003 -7.3746 -7.3190 -7.3131 -6.8901 -6.8769 -3.8907 -3.8867 -0.7663 -0.7586 -0.4925 -0.4864 0.1519 0.1540 1.0088 1.0203 1.5349 1.5652 2.7796 2.7880 3.1957 3.2196 3.2598 3.2617 3.8117 3.8155 4.0211 4.0508 4.1904 4.2240 7.6711 7.6817 8.0088 8.0266 8.6102 8.6161 9.4502 9.4795 k =-0.0888 0.1011 0.1346 ( 4215 PWs) bands (ev): -10.7917 -10.7883 -9.8641 -9.8613 -9.8223 -9.7975 -9.1780 -9.1686 -8.9577 -8.9509 -8.9434 -8.9165 -7.3830 -7.3599 -7.3106 -7.3065 -6.8819 -6.8698 -3.9175 -3.9138 -0.7364 -0.7289 -0.4975 -0.4919 0.1544 0.1563 0.9553 0.9662 1.5307 1.5585 2.7574 2.7650 3.2079 3.2419 3.2604 3.2739 3.8378 3.8423 4.0402 4.0656 4.2127 4.2423 7.6189 7.6285 7.9670 7.9829 8.6081 8.6143 9.4836 9.5131 k =-0.0799 0.0910 0.1211 ( 4223 PWs) bands (ev): -10.7955 -10.7921 -9.8640 -9.8623 -9.8235 -9.8008 -9.1799 -9.1700 -8.9567 -8.9505 -8.9440 -8.9196 -7.3669 -7.3466 -7.3026 -7.3003 -6.8744 -6.8635 -3.9421 -3.9387 -0.7060 -0.6989 -0.5019 -0.4968 0.1570 0.1588 0.9030 0.9132 1.5257 1.5509 2.7373 2.7441 3.2148 3.2504 3.2664 3.2836 3.8710 3.8755 4.0578 4.0789 4.2354 4.2611 7.5668 7.5752 7.9287 7.9428 8.6033 8.6096 9.5149 9.5443 k =-0.0711 0.0809 0.1077 ( 4219 PWs) bands (ev): -10.7989 -10.7957 -9.8641 -9.8631 -9.8245 -9.8040 -9.1814 -9.1715 -8.9558 -8.9501 -8.9446 -8.9226 -7.3521 -7.3346 -7.2951 -7.2946 -6.8676 -6.8579 -3.9646 -3.9614 -0.6758 -0.6691 -0.5055 -0.5011 0.1596 0.1612 0.8526 0.8621 1.5203 1.5428 2.7193 2.7254 3.2198 3.2519 3.2729 3.2883 3.9090 3.9132 4.0740 4.0911 4.2575 4.2794 7.5157 7.5232 7.8941 7.9065 8.5964 8.6026 9.5437 9.5728 k =-0.0622 0.0708 0.0942 ( 4213 PWs) bands (ev): -10.8020 -10.7990 -9.8644 -9.8634 -9.8252 -9.8071 -9.1825 -9.1729 -8.9548 -8.9496 -8.9452 -8.9254 -7.3387 -7.3241 -7.2894 -7.2880 -6.8615 -6.8530 -3.9846 -3.9818 -0.6463 -0.6401 -0.5083 -0.5047 0.1622 0.1635 0.8049 0.8137 1.5147 1.5345 2.7035 2.7088 3.2240 3.2522 3.2756 3.2887 3.9492 3.9529 4.0889 4.1025 4.2782 4.2967 7.4670 7.4735 7.8634 7.8742 8.5881 8.5940 9.5694 9.5978 k =-0.0533 0.0607 0.0808 ( 4219 PWs) bands (ev): -10.8047 -10.8019 -9.8648 -9.8635 -9.8256 -9.8100 -9.1833 -9.1743 -8.9539 -8.9490 -8.9457 -8.9281 -7.3271 -7.3151 -7.2844 -7.2816 -6.8561 -6.8488 -4.0022 -3.9997 -0.6183 -0.6127 -0.5104 -0.5076 0.1645 0.1656 0.7609 0.7688 1.5093 1.5263 2.6899 2.6944 3.2278 3.2523 3.2755 3.2862 3.9888 3.9920 4.1028 4.1130 4.2970 4.3125 7.4218 7.4274 7.8367 7.8459 8.5792 8.5845 9.5915 9.6186 k =-0.0444 0.0506 0.0673 ( 4213 PWs) bands (ev): -10.8069 -10.8045 -9.8651 -9.8636 -9.8257 -9.8127 -9.1837 -9.1757 -8.9530 -8.9483 -8.9461 -8.9306 -7.3172 -7.3078 -7.2797 -7.2760 -6.8515 -6.8454 -4.0172 -4.0151 -0.5926 -0.5878 -0.5117 -0.5098 0.1666 0.1675 0.7214 0.7282 1.5044 1.5186 2.6784 2.6822 3.2311 3.2518 3.2738 3.2822 4.0252 4.0283 4.1158 4.1230 4.3135 4.3262 7.3812 7.3858 7.8141 7.8217 8.5703 8.5750 9.6095 9.6345 k =-0.0355 0.0405 0.0538 ( 4205 PWs) bands (ev): -10.8087 -10.8068 -9.8652 -9.8637 -9.8256 -9.8152 -9.1838 -9.1770 -8.9522 -8.9479 -8.9461 -8.9330 -7.3093 -7.3020 -7.2754 -7.2712 -6.8476 -6.8427 -4.0295 -4.0278 -0.5704 -0.5664 -0.5119 -0.5109 0.1684 0.1691 0.6873 0.6930 1.5003 1.5116 2.6691 2.6721 3.2339 3.2506 3.2718 3.2781 4.0558 4.0592 4.1282 4.1327 4.3275 4.3376 7.3463 7.3500 7.7956 7.8017 8.5622 8.5660 9.6232 9.6452 k =-0.0266 0.0303 0.0404 ( 4213 PWs) bands (ev): -10.8101 -10.8086 -9.8652 -9.8639 -9.8253 -9.8175 -9.1836 -9.1783 -8.9515 -8.9480 -8.9453 -8.9352 -7.3031 -7.2978 -7.2714 -7.2676 -6.8444 -6.8407 -4.0391 -4.0379 -0.5529 -0.5498 -0.5111 -0.5103 0.1698 0.1703 0.6597 0.6641 1.4971 1.5056 2.6620 2.6642 3.2362 3.2487 3.2703 3.2747 4.0793 4.0828 4.1402 4.1425 4.3388 4.3464 7.3181 7.3209 7.7814 7.7860 8.5554 8.5583 9.6330 9.6508 k =-0.0178 0.0202 0.0269 ( 4205 PWs) bands (ev): -10.8110 -10.8100 -9.8651 -9.8641 -9.8246 -9.8194 -9.1832 -9.1796 -8.9508 -8.9485 -8.9441 -8.9373 -7.2986 -7.2952 -7.2681 -7.2651 -6.8420 -6.8395 -4.0460 -4.0451 -0.5415 -0.5392 -0.5089 -0.5076 0.1708 0.1711 0.6394 0.6425 1.4951 1.5008 2.6570 2.6585 3.2380 3.2462 3.2695 3.2722 4.0950 4.0980 4.1508 4.1518 4.3474 4.3524 7.2975 7.2994 7.7714 7.7745 8.5503 8.5523 9.6400 9.6525 k =-0.0089 0.0101 0.0135 ( 4201 PWs) bands (ev): -10.8114 -10.8109 -9.8649 -9.8644 -9.8238 -9.8212 -9.1825 -9.1807 -8.9502 -8.9490 -8.9427 -8.9392 -7.2957 -7.2939 -7.2656 -7.2640 -6.8403 -6.8390 -4.0500 -4.0496 -0.5356 -0.5343 -0.5057 -0.5048 0.1714 0.1716 0.6273 0.6288 1.4944 1.4972 2.6542 2.6549 3.2397 3.2437 3.2693 3.2706 4.1040 4.1057 4.1585 4.1589 4.3530 4.3555 7.2850 7.2860 7.7657 7.7673 8.5473 8.5483 9.6451 9.6515 k = 0.0000 0.0000 0.0000 ( 4193 PWs) bands (ev): -10.8114 -10.8114 -9.8646 -9.8646 -9.8226 -9.8226 -9.1817 -9.1817 -8.9496 -8.9496 -8.9410 -8.9410 -7.2941 -7.2941 -7.2641 -7.2641 -6.8393 -6.8393 -4.0512 -4.0512 -0.5335 -0.5335 -0.5039 -0.5039 0.1717 0.1717 0.6237 0.6237 1.4951 1.4951 2.6535 2.6535 3.2415 3.2415 3.2697 3.2697 4.1075 4.1075 4.1613 4.1613 4.3558 4.3558 7.2811 7.2811 7.7643 7.7643 8.5466 8.5466 9.6489 9.6489 k = 0.0000 0.0000 0.0000 ( 4193 PWs) bands (ev): -10.8114 -10.8114 -9.8646 -9.8646 -9.8226 -9.8226 -9.1817 -9.1817 -8.9496 -8.9496 -8.9410 -8.9410 -7.2941 -7.2941 -7.2641 -7.2641 -6.8393 -6.8393 -4.0512 -4.0512 -0.5335 -0.5335 -0.5039 -0.5039 0.1717 0.1717 0.6237 0.6237 1.4951 1.4951 2.6535 2.6535 3.2415 3.2415 3.2697 3.2697 4.1075 4.1075 4.1613 4.1613 4.3558 4.3558 7.2811 7.2811 7.7643 7.7643 8.5466 8.5466 9.6489 9.6489 k = 0.0143 0.0125 0.0000 ( 4185 PWs) bands (ev): -10.8112 -10.8112 -9.8644 -9.8644 -9.8225 -9.8225 -9.1815 -9.1815 -8.9497 -8.9497 -8.9408 -8.9408 -7.2944 -7.2944 -7.2644 -7.2644 -6.8416 -6.8416 -4.0486 -4.0486 -0.5323 -0.5323 -0.5028 -0.5028 0.1712 0.1712 0.6172 0.6172 1.5036 1.5036 2.6528 2.6528 3.2420 3.2420 3.2702 3.2702 4.1063 4.1063 4.1601 4.1601 4.3515 4.3515 7.2845 7.2845 7.7674 7.7674 8.5458 8.5458 9.6470 9.6470 k = 0.0286 0.0251 0.0000 ( 4209 PWs) bands (ev): -10.8105 -10.8105 -9.8638 -9.8638 -9.8224 -9.8224 -9.1811 -9.1811 -8.9501 -8.9501 -8.9402 -8.9402 -7.2953 -7.2953 -7.2653 -7.2653 -6.8486 -6.8486 -4.0406 -4.0406 -0.5290 -0.5290 -0.4994 -0.4994 0.1698 0.1698 0.5987 0.5987 1.5283 1.5283 2.6507 2.6507 3.2433 3.2433 3.2716 3.2716 4.1030 4.1030 4.1566 4.1566 4.3387 4.3387 7.2946 7.2946 7.7765 7.7765 8.5435 8.5435 9.6414 9.6414 k = 0.0429 0.0376 0.0000 ( 4213 PWs) bands (ev): -10.8094 -10.8094 -9.8627 -9.8627 -9.8221 -9.8221 -9.1803 -9.1803 -8.9507 -8.9507 -8.9393 -8.9393 -7.2967 -7.2966 -7.2667 -7.2667 -6.8600 -6.8600 -4.0275 -4.0275 -0.5234 -0.5234 -0.4939 -0.4939 0.1669 0.1669 0.5706 0.5706 1.5671 1.5671 2.6472 2.6472 3.2454 3.2454 3.2738 3.2738 4.0974 4.0974 4.1507 4.1507 4.3178 4.3178 7.3111 7.3111 7.7915 7.7915 8.5394 8.5394 9.6319 9.6319 k = 0.0571 0.0502 0.0000 ( 4209 PWs) bands (ev): -10.8078 -10.8078 -9.8612 -9.8612 -9.8217 -9.8217 -9.1792 -9.1792 -8.9513 -8.9513 -8.9381 -8.9381 -7.2986 -7.2986 -7.2686 -7.2686 -6.8759 -6.8759 -4.0094 -4.0094 -0.5156 -0.5156 -0.4863 -0.4863 0.1620 0.1620 0.5361 0.5361 1.6174 1.6174 2.6426 2.6426 3.2482 3.2482 3.2768 3.2768 4.0898 4.0898 4.1427 4.1427 4.2891 4.2891 7.3333 7.3333 7.8122 7.8122 8.5336 8.5336 9.6186 9.6186 k = 0.0714 0.0627 0.0000 ( 4209 PWs) bands (ev): -10.8058 -10.8058 -9.8594 -9.8594 -9.8212 -9.8212 -9.1778 -9.1778 -8.9520 -8.9520 -8.9368 -8.9368 -7.3011 -7.3010 -7.2711 -7.2711 -6.8958 -6.8958 -3.9864 -3.9864 -0.5056 -0.5056 -0.4765 -0.4765 0.1541 0.1541 0.4987 0.4987 1.6764 1.6764 2.6370 2.6370 3.2516 3.2516 3.2804 3.2804 4.0803 4.0803 4.1328 4.1328 4.2535 4.2535 7.3606 7.3606 7.8385 7.8385 8.5259 8.5259 9.6014 9.6014 k = 0.0857 0.0753 0.0000 ( 4205 PWs) bands (ev): -10.8034 -10.8034 -9.8571 -9.8571 -9.8205 -9.8205 -9.1761 -9.1761 -8.9527 -8.9527 -8.9353 -8.9353 -7.3040 -7.3040 -7.2741 -7.2741 -6.9196 -6.9196 -3.9590 -3.9590 -0.4936 -0.4936 -0.4646 -0.4646 0.1416 0.1416 0.4619 0.4619 1.7420 1.7420 2.6307 2.6307 3.2554 3.2554 3.2844 3.2844 4.0688 4.0688 4.1211 4.1211 4.2116 4.2116 7.3920 7.3920 7.8699 7.8699 8.5162 8.5162 9.5803 9.5803 k = 0.1000 0.0878 0.0000 ( 4197 PWs) bands (ev): -10.8006 -10.8006 -9.8545 -9.8545 -9.8196 -9.8196 -9.1740 -9.1740 -8.9534 -8.9534 -8.9337 -8.9337 -7.3075 -7.3075 -7.2776 -7.2776 -6.9469 -6.9469 -3.9275 -3.9275 -0.4794 -0.4794 -0.4507 -0.4507 0.1228 0.1228 0.4290 0.4290 1.8123 1.8123 2.6241 2.6241 3.2593 3.2593 3.2886 3.2886 4.0554 4.0554 4.1081 4.1081 4.1647 4.1647 7.4265 7.4265 7.9060 7.9060 8.5044 8.5044 9.5552 9.5552 k = 0.1143 0.1004 0.0000 ( 4197 PWs) bands (ev): -10.7974 -10.7974 -9.8516 -9.8516 -9.8186 -9.8186 -9.1717 -9.1717 -8.9541 -8.9541 -8.9319 -8.9319 -7.3114 -7.3114 -7.2816 -7.2816 -6.9774 -6.9774 -3.8921 -3.8921 -0.4633 -0.4633 -0.4349 -0.4349 0.0964 0.0964 0.4025 0.4025 1.8857 1.8857 2.6177 2.6177 3.2630 3.2630 3.2927 3.2927 4.0388 4.0388 4.0939 4.0939 4.1153 4.1153 7.4629 7.4629 7.9465 7.9465 8.4907 8.4907 9.5261 9.5261 k = 0.1286 0.1129 0.0000 ( 4205 PWs) bands (ev): -10.7939 -10.7939 -9.8484 -9.8484 -9.8174 -9.8174 -9.1691 -9.1691 -8.9548 -8.9548 -8.9300 -8.9300 -7.3158 -7.3158 -7.2860 -7.2860 -7.0107 -7.0107 -3.8532 -3.8532 -0.4454 -0.4453 -0.4172 -0.4172 0.0618 0.0618 0.3838 0.3838 1.9608 1.9608 2.6122 2.6122 3.2663 3.2663 3.2962 3.2962 4.0137 4.0137 4.0683 4.0683 4.0806 4.0806 7.4999 7.4999 7.9905 7.9905 8.4754 8.4754 9.4931 9.4931 k = 0.1429 0.1255 0.0000 ( 4209 PWs) bands (ev): -10.7901 -10.7901 -9.8451 -9.8451 -9.8158 -9.8158 -9.1661 -9.1661 -8.9554 -8.9554 -8.9280 -8.9279 -7.3205 -7.3205 -7.2908 -7.2908 -7.0465 -7.0465 -3.8113 -3.8113 -0.4256 -0.4256 -0.3977 -0.3977 0.0201 0.0201 0.3724 0.3724 2.0359 2.0359 2.6086 2.6086 3.2687 3.2687 3.2989 3.2989 3.9692 3.9692 4.0387 4.0387 4.0657 4.0657 7.5361 7.5361 8.0370 8.0370 8.4595 8.4595 9.4561 9.4561 k = 0.1571 0.1380 0.0000 ( 4209 PWs) bands (ev): -10.7860 -10.7860 -9.8417 -9.8417 -9.8140 -9.8140 -9.1628 -9.1628 -8.9560 -8.9560 -8.9258 -8.9258 -7.3257 -7.3257 -7.2961 -7.2961 -7.0844 -7.0844 -3.7667 -3.7667 -0.4041 -0.4041 -0.3766 -0.3766 -0.0272 -0.0272 0.3672 0.3672 2.1093 2.1093 2.6083 2.6083 3.2698 3.2698 3.3002 3.3002 3.9100 3.9100 4.0211 4.0211 4.0519 4.0519 7.5703 7.5703 8.0842 8.0842 8.4449 8.4449 9.4153 9.4153 k = 0.1714 0.1506 0.0000 ( 4209 PWs) bands (ev): -10.7817 -10.7817 -9.8383 -9.8383 -9.8116 -9.8116 -9.1593 -9.1593 -8.9566 -8.9566 -8.9235 -8.9235 -7.3312 -7.3312 -7.3017 -7.3017 -7.1240 -7.1240 -3.7197 -3.7197 -0.3810 -0.3810 -0.3540 -0.3540 -0.0781 -0.0781 0.3667 0.3667 2.1783 2.1783 2.6137 2.6137 3.2692 3.2692 3.2996 3.2996 3.8449 3.8449 4.0083 4.0083 4.0392 4.0392 7.6011 7.6011 8.1284 8.1284 8.4353 8.4353 9.3709 9.3709 k = 0.1857 0.1631 0.0000 ( 4209 PWs) bands (ev): -10.7772 -10.7772 -9.8351 -9.8351 -9.8088 -9.8088 -9.1555 -9.1555 -8.9571 -8.9571 -8.9210 -8.9210 -7.3371 -7.3371 -7.3077 -7.3077 -7.1647 -7.1647 -3.6708 -3.6708 -0.3566 -0.3566 -0.3300 -0.3300 -0.1314 -0.1314 0.3698 0.3698 2.2395 2.2395 2.6279 2.6279 3.2664 3.2664 3.2968 3.2968 3.7767 3.7767 3.9986 3.9986 4.0284 4.0284 7.6273 7.6273 8.1636 8.1636 8.4370 8.4370 9.3230 9.3230 k = 0.2000 0.1757 0.0000 ( 4205 PWs) bands (ev): -10.7725 -10.7725 -9.8321 -9.8321 -9.8053 -9.8053 -9.1513 -9.1513 -8.9577 -8.9577 -8.9184 -8.9184 -7.3434 -7.3434 -7.3143 -7.3143 -7.2061 -7.2061 -3.6203 -3.6203 -0.3308 -0.3308 -0.3048 -0.3048 -0.1858 -0.1858 0.3755 0.3755 2.2890 2.2890 2.6546 2.6546 3.2610 3.2610 3.2912 3.2912 3.7067 3.7067 3.9918 3.9918 4.0199 4.0199 7.6476 7.6476 8.1825 8.1825 8.4577 8.4577 9.2719 9.2719 k = 0.2143 0.1882 0.0000 ( 4189 PWs) bands (ev): -10.7676 -10.7676 -9.8295 -9.8295 -9.8012 -9.8012 -9.1469 -9.1469 -8.9582 -8.9582 -8.9157 -8.9157 -7.3503 -7.3503 -7.3217 -7.3217 -7.2472 -7.2472 -3.5685 -3.5685 -0.3041 -0.3041 -0.2791 -0.2791 -0.2399 -0.2399 0.3832 0.3832 2.3245 2.3245 2.6960 2.6960 3.2528 3.2528 3.2825 3.2825 3.6357 3.6357 3.9881 3.9881 4.0143 4.0143 7.6612 7.6612 8.1831 8.1831 8.4999 8.4999 9.2181 9.2181 k = 0.2286 0.2008 0.0000 ( 4205 PWs) bands (ev): -10.7627 -10.7627 -9.8272 -9.8272 -9.7964 -9.7964 -9.1423 -9.1423 -8.9586 -8.9586 -8.9127 -8.9127 -7.3589 -7.3589 -7.3313 -7.3313 -7.2854 -7.2854 -3.5158 -3.5158 -0.2985 -0.2985 -0.2747 -0.2747 -0.2496 -0.2496 0.3923 0.3923 2.3465 2.3465 2.7513 2.7513 3.2415 3.2415 3.2705 3.2705 3.5643 3.5643 3.9875 3.9875 4.0120 4.0120 7.6675 7.6675 8.1704 8.1704 8.5588 8.5588 9.1621 9.1621 k = 0.2429 0.2133 0.0000 ( 4189 PWs) bands (ev): -10.7578 -10.7578 -9.8252 -9.8252 -9.7912 -9.7912 -9.1374 -9.1374 -8.9591 -8.9591 -8.9096 -8.9096 -7.3732 -7.3732 -7.3454 -7.3454 -7.3135 -7.3135 -3.4626 -3.4626 -0.3515 -0.3515 -0.2468 -0.2468 -0.2221 -0.2220 0.4027 0.4027 2.3583 2.3583 2.8169 2.8169 3.2272 3.2272 3.2551 3.2551 3.4929 3.4929 3.9902 3.9902 4.0131 4.0131 7.6662 7.6662 8.1504 8.1504 8.6284 8.6284 9.1043 9.1043 k = 0.2571 0.2259 0.0000 ( 4185 PWs) bands (ev): -10.7528 -10.7528 -9.8235 -9.8235 -9.7855 -9.7855 -9.1324 -9.1324 -8.9596 -8.9596 -8.9063 -8.9063 -7.4021 -7.4021 -7.3586 -7.3586 -7.3281 -7.3281 -3.4091 -3.4091 -0.4050 -0.4050 -0.2175 -0.2175 -0.1934 -0.1934 0.4140 0.4140 2.3635 2.3635 2.8888 2.8888 3.2102 3.2102 3.2366 3.2366 3.4221 3.4221 3.9959 3.9959 4.0178 4.0178 7.6574 7.6574 8.1270 8.1270 8.7045 8.7045 9.0458 9.0458 k = 0.2714 0.2384 0.0000 ( 4185 PWs) bands (ev): -10.7479 -10.7479 -9.8220 -9.8220 -9.7795 -9.7795 -9.1271 -9.1271 -8.9600 -8.9600 -8.9028 -8.9028 -7.4406 -7.4406 -7.3674 -7.3674 -7.3370 -7.3370 -3.3557 -3.3557 -0.4575 -0.4575 -0.1878 -0.1878 -0.1644 -0.1644 0.4259 0.4259 2.3649 2.3649 2.9637 2.9637 3.1910 3.1910 3.2151 3.2151 3.3523 3.3523 4.0046 4.0046 4.0257 4.0257 7.6418 7.6418 8.1020 8.1020 8.7831 8.7831 8.9884 8.9884 k = 0.2857 0.2510 0.0000 ( 4161 PWs) bands (ev): -10.7431 -10.7431 -9.8207 -9.8207 -9.7733 -9.7733 -9.1217 -9.1217 -8.9604 -8.9604 -8.8992 -8.8991 -7.4817 -7.4817 -7.3745 -7.3745 -7.3443 -7.3443 -3.3028 -3.3028 -0.5087 -0.5087 -0.1579 -0.1579 -0.1352 -0.1352 0.4383 0.4383 2.3643 2.3643 3.0376 3.0376 3.1714 3.1714 3.1912 3.1912 3.2843 3.2843 4.0158 4.0158 4.0367 4.0367 7.6205 7.6205 8.0764 8.0764 8.8522 8.8522 8.9430 8.9430 k = 0.3000 0.2635 0.0000 ( 4161 PWs) bands (ev): -10.7383 -10.7383 -9.8195 -9.8195 -9.7670 -9.7670 -9.1163 -9.1163 -8.9608 -8.9608 -8.8953 -8.8953 -7.5231 -7.5231 -7.3810 -7.3810 -7.3509 -7.3509 -3.2506 -3.2506 -0.5584 -0.5584 -0.1281 -0.1281 -0.1060 -0.1060 0.4510 0.4510 2.3629 2.3629 3.0958 3.0958 3.1560 3.1561 3.1734 3.1734 3.2195 3.2195 4.0293 4.0293 4.0502 4.0502 7.5946 7.5946 8.0502 8.0502 8.8446 8.8446 8.9130 8.9130 k = 0.3143 0.2761 0.0000 ( 4169 PWs) bands (ev): -10.7338 -10.7338 -9.8184 -9.8184 -9.7607 -9.7607 -9.1107 -9.1107 -8.9612 -8.9612 -8.8912 -8.8912 -7.5638 -7.5638 -7.3870 -7.3870 -7.3570 -7.3570 -3.1996 -3.1996 -0.6064 -0.6064 -0.0985 -0.0985 -0.0772 -0.0772 0.4638 0.4638 2.3614 2.3614 3.0968 3.0969 3.1272 3.1272 3.1620 3.1620 3.2169 3.2169 4.0445 4.0445 4.0658 4.0658 7.5655 7.5655 8.0234 8.0234 8.7920 8.7920 8.8523 8.8523 k = 0.3286 0.2886 0.0000 ( 4177 PWs) bands (ev): -10.7294 -10.7294 -9.8174 -9.8174 -9.7545 -9.7545 -9.1052 -9.1052 -8.9616 -8.9616 -8.8870 -8.8870 -7.6034 -7.6034 -7.3927 -7.3927 -7.3628 -7.3628 -3.1500 -3.1500 -0.6524 -0.6524 -0.0696 -0.0695 -0.0489 -0.0489 0.4765 0.4765 2.3605 2.3605 3.0630 3.0630 3.0903 3.0903 3.1201 3.1201 3.2864 3.2864 4.0610 4.0610 4.0830 4.0830 7.5346 7.5346 7.9960 7.9960 8.7356 8.7356 8.7930 8.7931 k = 0.3429 0.3012 0.0000 ( 4182 PWs) bands (ev): -10.7252 -10.7252 -9.8165 -9.8165 -9.7484 -9.7484 -9.0998 -9.0998 -8.9621 -8.9620 -8.8826 -8.8826 -7.6415 -7.6415 -7.3981 -7.3981 -7.3682 -7.3682 -3.1022 -3.1022 -0.6963 -0.6963 -0.0414 -0.0414 -0.0215 -0.0215 0.4891 0.4891 2.3606 2.3606 3.0102 3.0102 3.0602 3.0602 3.0878 3.0878 3.3574 3.3574 4.0784 4.0784 4.1011 4.1011 7.5031 7.5031 7.9678 7.9678 8.6800 8.6800 8.7360 8.7360 k = 0.3571 0.3137 0.0000 ( 4190 PWs) bands (ev): -10.7213 -10.7213 -9.8156 -9.8156 -9.7425 -9.7425 -9.0945 -9.0945 -8.9624 -8.9624 -8.8781 -8.8781 -7.6777 -7.6777 -7.4032 -7.4032 -7.3733 -7.3733 -3.0567 -3.0567 -0.7377 -0.7377 -0.0143 -0.0143 0.0048 0.0048 0.5013 0.5013 2.3618 2.3618 2.9537 2.9537 3.0331 3.0331 3.0583 3.0583 3.4262 3.4262 4.0962 4.0962 4.1198 4.1198 7.4720 7.4720 7.9392 7.9392 8.6266 8.6266 8.6817 8.6817 k = 0.3714 0.3263 0.0000 ( 4194 PWs) bands (ev): -10.7177 -10.7177 -9.8149 -9.8149 -9.7370 -9.7370 -9.0894 -9.0894 -8.9628 -8.9628 -8.8735 -8.8735 -7.7118 -7.7118 -7.4078 -7.4078 -7.3780 -7.3780 -3.0137 -3.0137 -0.7765 -0.7765 0.0113 0.0113 0.0297 0.0297 0.5130 0.5130 2.3646 2.3646 2.8984 2.8984 3.0072 3.0072 3.0303 3.0303 3.4915 3.4915 4.1139 4.1139 4.1384 4.1384 7.4421 7.4421 7.9104 7.9104 8.5761 8.5761 8.6306 8.6306 k = 0.3857 0.3388 0.0000 ( 4190 PWs) bands (ev): -10.7144 -10.7144 -9.8142 -9.8142 -9.7318 -9.7318 -9.0846 -9.0846 -8.9632 -8.9632 -8.8690 -8.8690 -7.7434 -7.7434 -7.4121 -7.4121 -7.3823 -7.3823 -2.9738 -2.9738 -0.8124 -0.8124 0.0353 0.0353 0.0529 0.0529 0.5240 0.5240 2.3689 2.3689 2.8454 2.8454 2.9828 2.9828 3.0039 3.0039 3.5523 3.5523 4.1311 4.1311 4.1565 4.1565 7.4142 7.4142 7.8819 7.8819 8.5292 8.5292 8.5833 8.5833 k = 0.4000 0.3514 0.0000 ( 4206 PWs) bands (ev): -10.7114 -10.7114 -9.8136 -9.8136 -9.7271 -9.7271 -9.0802 -9.0802 -8.9635 -8.9635 -8.8646 -8.8646 -7.7722 -7.7722 -7.4159 -7.4159 -7.3861 -7.3861 -2.9372 -2.9372 -0.8451 -0.8451 0.0573 0.0573 0.0741 0.0741 0.5342 0.5342 2.3750 2.3750 2.7954 2.7954 2.9601 2.9601 2.9794 2.9794 3.6079 3.6079 4.1474 4.1474 4.1736 4.1736 7.3888 7.3888 7.8543 7.8543 8.4864 8.4864 8.5403 8.5403 k = 0.4143 0.3639 0.0000 ( 4206 PWs) bands (ev): -10.7088 -10.7088 -9.8131 -9.8131 -9.7228 -9.7228 -9.0762 -9.0762 -8.9639 -8.9639 -8.8603 -8.8603 -7.7980 -7.7980 -7.4193 -7.4193 -7.3895 -7.3895 -2.9044 -2.9044 -0.8743 -0.8743 0.0771 0.0771 0.0932 0.0932 0.5433 0.5433 2.3829 2.3829 2.7486 2.7486 2.9396 2.9396 2.9571 2.9571 3.6577 3.6577 4.1624 4.1624 4.1893 4.1893 7.3662 7.3662 7.8282 7.8282 8.4482 8.4482 8.5019 8.5019 k = 0.4286 0.3765 0.0000 ( 4206 PWs) bands (ev): -10.7065 -10.7065 -9.8126 -9.8126 -9.7192 -9.7192 -9.0727 -9.0727 -8.9642 -8.9642 -8.8565 -8.8565 -7.8203 -7.8203 -7.4222 -7.4222 -7.3924 -7.3924 -2.8758 -2.8758 -0.8997 -0.8997 0.0943 0.0943 0.1097 0.1098 0.5514 0.5514 2.3926 2.3926 2.7056 2.7056 2.9216 2.9216 2.9376 2.9376 3.7009 3.7009 4.1758 4.1758 4.2033 4.2033 7.3469 7.3469 7.8045 7.8045 8.4151 8.4151 8.4687 8.4688 k = 0.4429 0.3890 0.0000 ( 4206 PWs) bands (ev): -10.7046 -10.7046 -9.8123 -9.8123 -9.7161 -9.7161 -9.0698 -9.0698 -8.9644 -8.9644 -8.8531 -8.8531 -7.8391 -7.8391 -7.4246 -7.4246 -7.3949 -7.3949 -2.8518 -2.8518 -0.9209 -0.9209 0.1088 0.1088 0.1236 0.1237 0.5582 0.5582 2.4038 2.4038 2.6667 2.6667 2.9065 2.9065 2.9210 2.9210 3.7372 3.7372 4.1872 4.1872 4.2153 4.2153 7.3309 7.3309 7.7838 7.7838 8.3874 8.3874 8.4411 8.4411 k = 0.4571 0.4015 0.0000 ( 4206 PWs) bands (ev): -10.7032 -10.7032 -9.8120 -9.8120 -9.7136 -9.7136 -9.0674 -9.0674 -8.9646 -8.9646 -8.8502 -8.8502 -7.8540 -7.8540 -7.4265 -7.4265 -7.3968 -7.3968 -2.8327 -2.8327 -0.9378 -0.9378 0.1203 0.1204 0.1347 0.1347 0.5636 0.5636 2.4160 2.4160 2.6328 2.6328 2.8945 2.8945 2.9077 2.9077 3.7660 3.7660 4.1963 4.1963 4.2249 4.2249 7.3185 7.3185 7.7669 7.7669 8.3655 8.3655 8.4192 8.4192 k = 0.4714 0.4141 0.0000 ( 4210 PWs) bands (ev): -10.7021 -10.7021 -9.8118 -9.8118 -9.7119 -9.7119 -9.0657 -9.0657 -8.9648 -8.9648 -8.8481 -8.8481 -7.8647 -7.8647 -7.4278 -7.4278 -7.3981 -7.3981 -2.8188 -2.8188 -0.9500 -0.9500 0.1287 0.1287 0.1427 0.1427 0.5675 0.5675 2.4281 2.4281 2.6051 2.6051 2.8858 2.8858 2.8981 2.8981 3.7868 3.7868 4.2030 4.2030 4.2319 4.2319 7.3096 7.3096 7.7544 7.7544 8.3497 8.3497 8.4034 8.4034 k = 0.4857 0.4266 0.0000 ( 4214 PWs) bands (ev): -10.7015 -10.7015 -9.8117 -9.8117 -9.7108 -9.7108 -9.0647 -9.0647 -8.9649 -8.9649 -8.8468 -8.8468 -7.8713 -7.8713 -7.4286 -7.4286 -7.3989 -7.3989 -2.8104 -2.8104 -0.9574 -0.9574 0.1338 0.1338 0.1475 0.1475 0.5699 0.5699 2.4378 2.4378 2.5860 2.5860 2.8805 2.8805 2.8922 2.8922 3.7995 3.7995 4.2071 4.2071 4.2361 4.2361 7.3042 7.3042 7.7466 7.7466 8.3401 8.3401 8.3938 8.3938 k = 0.5000 0.4392 0.0000 ( 4222 PWs) bands (ev): -10.7013 -10.7013 -9.8116 -9.8116 -9.7105 -9.7105 -9.0643 -9.0643 -8.9649 -8.9649 -8.8464 -8.8464 -7.8735 -7.8735 -7.4289 -7.4289 -7.3992 -7.3992 -2.8076 -2.8076 -0.9599 -0.9599 0.1355 0.1355 0.1491 0.1491 0.5707 0.5707 2.4416 2.4416 2.5790 2.5790 2.8787 2.8787 2.8902 2.8902 3.8037 3.8037 4.2085 4.2085 4.2376 4.2376 7.3024 7.3024 7.7440 7.7440 8.3369 8.3369 8.3906 8.3906 k = 0.5000 0.4392 0.0000 ( 4222 PWs) bands (ev): -10.7013 -10.7013 -9.8116 -9.8116 -9.7105 -9.7105 -9.0643 -9.0643 -8.9649 -8.9649 -8.8464 -8.8464 -7.8735 -7.8735 -7.4289 -7.4289 -7.3992 -7.3992 -2.8076 -2.8076 -0.9599 -0.9599 0.1355 0.1355 0.1491 0.1491 0.5707 0.5707 2.4416 2.4416 2.5790 2.5790 2.8787 2.8787 2.8902 2.8902 3.8037 3.8037 4.2085 4.2085 4.2376 4.2376 7.3024 7.3024 7.7440 7.7440 8.3369 8.3369 8.3906 8.3906 k = 0.4915 0.4489 0.0129 ( 4214 PWs) bands (ev): -10.7023 -10.7002 -9.8122 -9.8111 -9.7160 -9.7048 -9.0711 -9.0577 -8.9661 -8.9636 -8.8482 -8.8445 -7.8737 -7.8727 -7.4294 -7.4286 -7.4007 -7.3979 -2.8076 -2.8073 -0.9605 -0.9599 0.1351 0.1354 0.1484 0.1495 0.5702 0.5703 2.4402 2.4437 2.5668 2.5703 2.8795 2.8849 2.8967 2.8995 3.8010 3.8047 4.2081 4.2092 4.2375 4.2381 7.3011 7.3049 7.7430 7.7441 8.3389 8.3401 8.3925 8.3939 k = 0.4829 0.4586 0.0259 ( 4214 PWs) bands (ev): -10.7032 -10.6990 -9.8129 -9.8108 -9.7215 -9.6992 -9.0780 -9.0513 -8.9673 -8.9623 -8.8500 -8.8427 -7.8733 -7.8715 -7.4302 -7.4285 -7.4022 -7.3966 -2.8074 -2.8068 -0.9616 -0.9604 0.1340 0.1343 0.1476 0.1502 0.5688 0.5691 2.4383 2.4464 2.5379 2.5456 2.8796 2.8882 2.9246 2.9289 3.7966 3.8039 4.2074 4.2096 4.2385 4.2395 7.3008 7.3084 7.7413 7.7434 8.3462 8.3482 8.3996 8.4026 k = 0.4744 0.4683 0.0388 ( 4202 PWs) bands (ev): -10.7040 -10.6978 -9.8137 -9.8106 -9.7268 -9.6937 -9.0849 -9.0451 -8.9684 -8.9610 -8.8518 -8.8409 -7.8724 -7.8698 -7.4317 -7.4288 -7.4034 -7.3950 -2.8070 -2.8061 -0.9632 -0.9614 0.1309 0.1316 0.1478 0.1522 0.5667 0.5672 2.4325 2.4470 2.5019 2.5158 2.8788 2.8906 2.9651 2.9710 3.7906 3.8014 4.2049 4.2081 4.2420 4.2434 7.3017 7.3129 7.7390 7.7421 8.3580 8.3604 8.4122 8.4170 k = 0.4659 0.4780 0.0517 ( 4212 PWs) bands (ev): -10.7047 -10.6965 -9.8146 -9.8106 -9.7319 -9.6883 -9.0919 -9.0392 -8.9694 -8.9596 -8.8536 -8.8391 -7.8710 -7.8675 -7.4344 -7.4299 -7.4037 -7.3927 -2.8065 -2.8053 -0.9652 -0.9629 0.1254 0.1265 0.1496 0.1556 0.5638 0.5644 2.4136 2.4305 2.4792 2.4950 2.8778 2.8929 3.0122 3.0194 3.7829 3.7970 4.1996 4.2038 4.2490 4.2509 7.3039 7.3186 7.7365 7.7406 8.3734 8.3755 8.4307 8.4376 k = 0.4573 0.4878 0.0646 ( 4208 PWs) bands (ev): -10.7053 -10.6951 -9.8155 -9.8109 -9.7367 -9.6831 -9.0989 -9.0336 -8.9703 -8.9582 -8.8554 -8.8373 -7.8690 -7.8648 -7.4385 -7.4321 -7.4027 -7.3894 -2.8061 -2.8046 -0.9677 -0.9649 0.1180 0.1193 0.1532 0.1605 0.5604 0.5611 2.3779 2.3891 2.4802 2.4903 2.8771 2.8955 3.0625 3.0708 3.7736 3.7908 4.1915 4.1968 4.2592 4.2618 7.3075 7.3255 7.7343 7.7392 8.3911 8.3926 8.4554 8.4643 k = 0.4488 0.4975 0.0776 ( 4208 PWs) bands (ev): -10.7058 -10.6938 -9.8165 -9.8114 -9.7411 -9.6781 -9.1058 -9.0283 -8.9711 -8.9569 -8.8572 -8.8356 -7.8665 -7.8617 -7.4441 -7.4356 -7.4002 -7.3850 -2.8059 -2.8042 -0.9705 -0.9673 0.1087 0.1103 0.1583 0.1667 0.5564 0.5573 2.3332 2.3410 2.4883 2.4955 2.8766 2.8983 3.1141 3.1235 3.7626 3.7826 4.1812 4.1874 4.2722 4.2757 7.3127 7.3338 7.7327 7.7383 8.4104 8.4109 8.4862 8.4970 k = 0.4403 0.5072 0.0905 ( 4204 PWs) bands (ev): -10.7062 -10.6924 -9.8176 -9.8122 -9.7451 -9.6734 -9.1126 -9.0235 -8.9718 -8.9555 -8.8590 -8.8339 -7.8634 -7.8581 -7.4510 -7.4403 -7.3963 -7.3794 -2.8062 -2.8041 -0.9736 -0.9701 0.0978 0.0996 0.1647 0.1741 0.5522 0.5533 2.2852 2.2919 2.4987 2.5058 2.8766 2.9014 3.1659 3.1763 3.7500 3.7726 4.1688 4.1762 4.2875 4.2918 7.3195 7.3435 7.7320 7.7384 8.4298 8.4305 8.5229 8.5352 k = 0.4318 0.5169 0.1034 ( 4200 PWs) bands (ev): -10.7065 -10.6910 -9.8187 -9.8132 -9.7487 -9.6691 -9.1192 -9.0191 -8.9724 -8.9541 -8.8608 -8.8323 -7.8599 -7.8542 -7.4587 -7.4459 -7.3912 -7.3727 -2.8072 -2.8048 -0.9770 -0.9731 0.0854 0.0874 0.1724 0.1826 0.5479 0.5492 2.2362 2.2432 2.5107 2.5191 2.8770 2.9049 3.2169 3.2283 3.7358 3.7607 4.1549 4.1635 4.3047 4.3098 7.3281 7.3548 7.7325 7.7397 8.4489 8.4510 8.5647 8.5782 k = 0.4232 0.5266 0.1163 ( 4202 PWs) bands (ev): -10.7067 -10.6897 -9.8199 -9.8146 -9.7518 -9.6652 -9.1256 -9.0151 -8.9728 -8.9528 -8.8627 -8.8309 -7.8559 -7.8498 -7.4672 -7.4522 -7.3849 -7.3651 -2.8091 -2.8063 -0.9805 -0.9764 0.0718 0.0740 0.1812 0.1921 0.5438 0.5454 2.1875 2.1953 2.5243 2.5344 2.8781 2.9089 3.2665 3.2788 3.7201 3.7472 4.1395 4.1495 4.3235 4.3293 7.3387 7.3677 7.7346 7.7426 8.4676 8.4712 8.6112 8.6255 k = 0.4147 0.5363 0.1293 ( 4206 PWs) bands (ev): -10.7069 -10.6884 -9.8213 -9.8161 -9.7544 -9.6618 -9.1317 -9.0117 -8.9731 -8.9515 -8.8647 -8.8295 -7.8515 -7.8450 -7.4762 -7.4590 -7.3777 -7.3566 -2.8121 -2.8090 -0.9841 -0.9798 0.0571 0.0595 0.1910 0.2024 0.5404 0.5424 2.1397 2.1487 2.5391 2.5513 2.8797 2.9135 3.3139 3.3272 3.7032 3.7321 4.1229 4.1345 4.3435 4.3499 7.3513 7.3825 7.7383 7.7471 8.4853 8.4907 8.6618 8.6766 k = 0.4062 0.5460 0.1422 ( 4208 PWs) bands (ev): -10.7070 -10.6872 -9.8229 -9.8178 -9.7565 -9.6589 -9.1376 -9.0088 -8.9732 -8.9502 -8.8668 -8.8283 -7.8467 -7.8399 -7.4853 -7.4660 -7.3696 -7.3473 -2.8164 -2.8131 -0.9879 -0.9833 0.0414 0.0440 0.2015 0.2132 0.5380 0.5405 2.0933 2.1036 2.5549 2.5692 2.8822 2.9187 3.3586 3.3728 3.6852 3.7159 4.1054 4.1185 4.3643 4.3712 7.3662 7.3992 7.7438 7.7535 8.5016 8.5088 8.7160 8.7312 k = 0.3976 0.5557 0.1551 ( 4210 PWs) bands (ev): -10.7071 -10.6861 -9.8248 -9.8194 -9.7582 -9.6566 -9.1431 -9.0064 -8.9732 -8.9490 -8.8690 -8.8272 -7.8416 -7.8344 -7.4945 -7.4730 -7.3606 -7.3372 -2.8224 -2.8188 -0.9916 -0.9869 0.0248 0.0277 0.2123 0.2242 0.5374 0.5405 2.0485 2.0602 2.5713 2.5879 2.8856 2.9247 3.3998 3.4148 3.6667 3.6991 4.0869 4.1017 4.3855 4.3930 7.3833 7.4180 7.7512 7.7618 8.5158 8.5250 8.7734 8.7888 k = 0.3891 0.5654 0.1680 ( 4212 PWs) bands (ev): -10.7071 -10.6851 -9.8270 -9.8209 -9.7594 -9.6549 -9.1482 -9.0046 -8.9730 -8.9478 -8.8714 -8.8263 -7.8363 -7.8285 -7.5035 -7.4798 -7.3508 -7.3264 -2.8302 -2.8262 -0.9954 -0.9905 0.0075 0.0106 0.2231 0.2348 0.5391 0.5430 2.0056 2.0186 2.5880 2.6069 2.8901 2.9317 3.4363 3.4522 3.6485 3.6826 4.0678 4.0844 4.4068 4.4147 7.4027 7.4388 7.7605 7.7719 8.5277 8.5388 8.8338 8.8493 k = 0.3806 0.5752 0.1810 ( 4225 PWs) bands (ev): -10.7071 -10.6843 -9.8295 -9.8223 -9.7603 -9.6539 -9.1529 -9.0034 -8.9727 -8.9467 -8.8739 -8.8256 -7.8308 -7.8221 -7.5120 -7.4863 -7.3402 -7.3149 -2.8399 -2.8356 -0.9991 -0.9942 -0.0104 -0.0070 0.2331 0.2446 0.5441 0.5490 1.9648 1.9792 2.6046 2.6258 2.8959 2.9398 3.4667 3.4830 3.6323 3.6678 4.0482 4.0665 4.4278 4.4360 7.4244 7.4618 7.7717 7.7839 8.5368 8.5499 8.8967 8.9122 k = 0.3720 0.5849 0.1939 ( 4225 PWs) bands (ev): -10.7071 -10.6836 -9.8322 -9.8235 -9.7609 -9.6536 -9.1571 -9.0026 -8.9724 -8.9457 -8.8767 -8.8251 -7.8252 -7.8154 -7.5199 -7.4921 -7.3290 -7.3029 -2.8517 -2.8472 -1.0028 -0.9977 -0.0287 -0.0251 0.2417 0.2527 0.5531 0.5591 1.9262 1.9419 2.6205 2.6440 2.9033 2.9493 3.4890 3.5042 3.6210 3.6565 4.0283 4.0484 4.4480 4.4566 7.4486 7.4869 7.7847 7.7976 8.5432 8.5582 8.9619 8.9773 k = 0.3635 0.5946 0.2068 ( 4217 PWs) bands (ev): -10.7072 -10.6831 -9.8351 -9.8246 -9.7612 -9.6541 -9.1609 -9.0024 -8.9720 -8.9448 -8.8798 -8.8248 -7.8195 -7.8083 -7.5271 -7.4972 -7.3170 -7.2903 -2.8657 -2.8609 -1.0065 -1.0013 -0.0473 -0.0435 0.2485 0.2588 0.5668 0.5740 1.8900 1.9070 2.6352 2.6607 2.9128 2.9605 3.5012 3.5119 3.6185 3.6510 4.0083 4.0301 4.4672 4.4759 7.4750 7.5141 7.7994 7.8130 8.5470 8.5639 9.0290 9.0441 k = 0.3550 0.6043 0.2198 ( 4205 PWs) bands (ev): -10.7072 -10.6829 -9.8379 -9.8257 -9.7613 -9.6553 -9.1642 -9.0027 -8.9716 -8.9439 -8.8830 -8.8247 -7.8136 -7.8009 -7.5332 -7.5014 -7.3045 -7.2772 -2.8820 -2.8770 -1.0102 -1.0048 -0.0662 -0.0621 0.2529 0.2624 0.5859 0.5943 1.8562 1.8745 2.6481 2.6752 2.9248 2.9736 3.5025 3.5065 3.6244 3.6519 3.9885 4.0119 4.4849 4.4938 7.5038 7.5434 7.8157 7.8298 8.5484 8.5671 9.0976 9.1124 k = 0.3464 0.6140 0.2327 ( 4211 PWs) bands (ev): -10.7074 -10.6829 -9.8408 -9.8267 -9.7613 -9.6572 -9.1669 -9.0035 -8.9712 -8.9432 -8.8866 -8.8249 -7.8077 -7.7931 -7.5382 -7.5047 -7.2915 -7.2636 -2.9005 -2.8953 -1.0138 -1.0082 -0.0852 -0.0809 0.2549 0.2635 0.6103 0.6200 1.8249 1.8445 2.6587 2.6867 2.9397 2.9888 3.4932 3.4954 3.6332 3.6567 3.9691 3.9940 4.5007 4.5097 7.5347 7.5746 7.8335 7.8481 8.5479 8.5685 9.1673 9.1817 k = 0.3464 0.6140 0.2327 ( 4211 PWs) bands (ev): -10.7074 -10.6829 -9.8408 -9.8267 -9.7613 -9.6572 -9.1669 -9.0035 -8.9712 -8.9432 -8.8866 -8.8249 -7.8077 -7.7931 -7.5382 -7.5047 -7.2915 -7.2636 -2.9005 -2.8953 -1.0138 -1.0082 -0.0852 -0.0809 0.2549 0.2635 0.6103 0.6200 1.8249 1.8445 2.6587 2.6867 2.9397 2.9888 3.4932 3.4954 3.6332 3.6567 3.9691 3.9940 4.5007 4.5097 7.5347 7.5746 7.8335 7.8481 8.5479 8.5685 9.1673 9.1817 k = 0.3299 0.6088 0.2396 ( 4212 PWs) bands (ev): -10.7075 -10.6831 -9.8423 -9.8273 -9.7613 -9.6588 -9.1682 -9.0047 -8.9708 -8.9429 -8.8885 -8.8253 -7.8042 -7.7889 -7.5396 -7.5052 -7.2840 -7.2559 -2.9129 -2.9077 -1.0145 -1.0088 -0.0966 -0.0921 0.2545 0.2627 0.6264 0.6367 1.8103 1.8305 2.6628 2.6910 2.9486 2.9976 3.4818 3.4871 3.6369 3.6585 3.9628 3.9880 4.5076 4.5166 7.5530 7.5927 7.8444 7.8589 8.5475 8.5693 9.2069 9.2211 k = 0.3135 0.6036 0.2466 ( 4216 PWs) bands (ev): -10.7078 -10.6835 -9.8438 -9.8280 -9.7613 -9.6610 -9.1691 -9.0071 -8.9699 -8.9426 -8.8903 -8.8261 -7.8008 -7.7849 -7.5389 -7.5039 -7.2758 -7.2476 -2.9287 -2.9234 -1.0126 -1.0069 -0.1101 -0.1055 0.2527 0.2607 0.6451 0.6560 1.7986 1.8197 2.6650 2.6932 2.9576 3.0060 3.4640 3.4726 3.6393 3.6586 3.9639 3.9889 4.5124 4.5215 7.5734 7.6119 7.8571 7.8709 8.5478 8.5712 9.2503 9.2641 k = 0.2970 0.5983 0.2536 ( 4214 PWs) bands (ev): -10.7082 -10.6842 -9.8454 -9.8288 -9.7612 -9.6637 -9.1698 -9.0104 -8.9688 -8.9425 -8.8919 -8.8272 -7.7976 -7.7816 -7.5361 -7.5006 -7.2670 -7.2387 -2.9476 -2.9423 -1.0085 -1.0027 -0.1256 -0.1210 0.2501 0.2579 0.6661 0.6774 1.7899 1.8117 2.6649 2.6931 2.9667 3.0142 3.4403 3.4516 3.6413 3.6584 3.9716 3.9957 4.5152 4.5244 7.5951 7.6317 7.8719 7.8847 8.5490 8.5743 9.2970 9.3103 k = 0.2805 0.5931 0.2605 ( 4219 PWs) bands (ev): -10.7087 -10.6851 -9.8469 -9.8297 -9.7612 -9.6669 -9.1701 -9.0147 -8.9676 -8.9424 -8.8931 -8.8287 -7.7950 -7.7792 -7.5310 -7.4954 -7.2576 -7.2293 -2.9692 -2.9640 -1.0022 -0.9964 -0.1428 -0.1382 0.2470 0.2549 0.6888 0.7005 1.7839 1.8065 2.6622 2.6902 2.9758 3.0222 3.4119 3.4253 3.6432 3.6589 3.9843 4.0073 4.5161 4.5255 7.6174 7.6510 7.8893 7.9007 8.5515 8.5789 9.3466 9.3593 k = 0.2640 0.5879 0.2675 ( 4217 PWs) bands (ev): -10.7092 -10.6863 -9.8484 -9.8306 -9.7610 -9.6705 -9.1701 -9.0196 -8.9664 -8.9424 -8.8940 -8.8305 -7.7931 -7.7779 -7.5239 -7.4885 -7.2476 -7.2195 -2.9930 -2.9879 -0.9941 -0.9882 -0.1615 -0.1569 0.2439 0.2518 0.7127 0.7248 1.7805 1.8039 2.6563 2.6842 2.9852 3.0302 3.3807 3.3955 3.6450 3.6598 4.0005 4.0223 4.5153 4.5249 7.6392 7.6689 7.9096 7.9203 8.5556 8.5854 9.3985 9.4105 k = 0.2475 0.5826 0.2744 ( 4212 PWs) bands (ev): -10.7098 -10.6876 -9.8499 -9.8317 -9.7608 -9.6744 -9.1697 -9.0251 -8.9651 -8.9425 -8.8945 -8.8325 -7.7921 -7.7776 -7.5150 -7.4800 -7.2370 -7.2092 -3.0187 -3.0137 -0.9843 -0.9784 -0.1811 -0.1767 0.2409 0.2489 0.7374 0.7498 1.7795 1.8038 2.6470 2.6748 2.9950 3.0385 3.3484 3.3642 3.6464 3.6607 4.0188 4.0394 4.5129 4.5227 7.6593 7.6844 7.9329 7.9446 8.5618 8.5940 9.4516 9.4628 k = 0.2310 0.5774 0.2814 ( 4206 PWs) bands (ev): -10.7104 -10.6890 -9.8512 -9.8328 -9.7605 -9.6787 -9.1690 -9.0310 -8.9639 -8.9427 -8.8947 -8.8346 -7.7919 -7.7784 -7.5047 -7.4705 -7.2257 -7.1985 -3.0457 -3.0408 -0.9731 -0.9673 -0.2015 -0.1972 0.2381 0.2462 0.7626 0.7751 1.7808 1.8059 2.6338 2.6620 3.0053 3.0471 3.3165 3.3332 3.6470 3.6610 4.0382 4.0578 4.5091 4.5191 7.6766 7.6969 7.9597 7.9740 8.5703 8.6050 9.5009 9.5129 k = 0.2145 0.5722 0.2884 ( 4206 PWs) bands (ev): -10.7110 -10.6905 -9.8524 -9.8340 -9.7601 -9.6832 -9.1679 -9.0373 -8.9629 -8.9431 -8.8944 -8.8370 -7.7924 -7.7800 -7.4933 -7.4602 -7.2140 -7.1875 -3.0735 -3.0688 -0.9609 -0.9552 -0.2222 -0.2180 0.2357 0.2438 0.7878 0.8004 1.7842 1.8100 2.6168 2.6455 3.0160 3.0562 3.2864 3.3041 3.6465 3.6603 4.0581 4.0766 4.5042 4.5143 7.6906 7.7066 7.9904 8.0079 8.5812 8.6185 9.5191 9.5332 k = 0.1980 0.5670 0.2953 ( 4201 PWs) bands (ev): -10.7116 -10.6922 -9.8535 -9.8353 -9.7595 -9.6878 -9.1664 -9.0439 -8.9618 -8.9435 -8.8938 -8.8394 -7.7935 -7.7822 -7.4812 -7.4495 -7.2017 -7.1763 -3.1016 -3.0972 -0.9480 -0.9424 -0.2427 -0.2388 0.2336 0.2416 0.8128 0.8253 1.7894 1.8159 2.5961 2.6257 3.0271 3.0659 3.2591 3.2780 3.6444 3.6581 4.0777 4.0952 4.4984 4.5086 7.7012 7.7135 8.0248 8.0455 8.5949 8.6345 9.5022 9.5115 k = 0.1815 0.5617 0.3023 ( 4193 PWs) bands (ev): -10.7121 -10.6939 -9.8545 -9.8367 -9.7588 -9.6926 -9.1645 -9.0506 -8.9609 -8.9440 -8.8928 -8.8419 -7.7951 -7.7849 -7.4689 -7.4389 -7.1892 -7.1651 -3.1296 -3.1255 -0.9347 -0.9293 -0.2628 -0.2591 0.2318 0.2397 0.8372 0.8495 1.7962 1.8233 2.5722 2.6026 3.0381 3.0758 3.2356 3.2561 3.6406 3.6541 4.0967 4.1133 4.4919 4.5021 7.7087 7.7183 8.0624 8.0855 8.6113 8.6530 9.4777 9.4857 k = 0.1650 0.5565 0.3092 ( 4193 PWs) bands (ev): -10.7126 -10.6957 -9.8553 -9.8382 -9.7580 -9.6973 -9.1623 -9.0574 -8.9600 -8.9446 -8.8916 -8.8445 -7.7970 -7.7878 -7.4567 -7.4287 -7.1764 -7.1539 -3.1570 -3.1531 -0.9212 -0.9160 -0.2820 -0.2787 0.2303 0.2379 0.8607 0.8727 1.8045 1.8320 2.5457 2.5769 3.0486 3.0852 3.2169 3.2392 3.6349 3.6482 4.1148 4.1304 4.4850 4.4952 7.7136 7.7214 8.1020 8.1267 8.6302 8.6737 9.4521 9.4600 k = 0.1485 0.5513 0.3162 ( 4200 PWs) bands (ev): -10.7130 -10.6975 -9.8559 -9.8397 -9.7569 -9.7021 -9.1597 -9.0643 -8.9591 -8.9452 -8.8901 -8.8472 -7.7991 -7.7909 -7.4449 -7.4191 -7.1637 -7.1429 -3.1833 -3.1797 -0.9080 -0.9031 -0.3002 -0.2972 0.2291 0.2363 0.8831 0.8946 1.8140 1.8416 2.5175 2.5491 3.0576 3.0929 3.2042 3.2280 3.6271 3.6401 4.1317 4.1464 4.4779 4.4879 7.7166 7.7231 8.1426 8.1680 8.6516 8.6963 9.4272 9.4351 k = 0.1320 0.5460 0.3231 ( 4200 PWs) bands (ev): -10.7133 -10.6993 -9.8564 -9.8412 -9.7557 -9.7068 -9.1567 -9.0712 -8.9583 -8.9459 -8.8885 -8.8498 -7.8012 -7.7940 -7.4337 -7.4104 -7.1513 -7.1325 -3.2081 -3.2049 -0.8953 -0.8907 -0.3171 -0.3143 0.2280 0.2348 0.9042 0.9150 1.8245 1.8518 2.4885 2.5201 3.0644 3.0972 3.1991 3.2231 3.6173 3.6299 4.1474 4.1609 4.4709 4.4806 7.7181 7.7239 8.1829 8.2082 8.6748 8.7199 9.4038 9.4118 k = 0.1155 0.5408 0.3301 ( 4198 PWs) bands (ev): -10.7135 -10.7010 -9.8566 -9.8428 -9.7543 -9.7114 -9.1535 -9.0781 -8.9575 -8.9467 -8.8866 -8.8525 -7.8032 -7.7970 -7.4234 -7.4027 -7.1393 -7.1226 -3.2310 -3.2281 -0.8833 -0.8791 -0.3323 -0.3299 0.2272 0.2334 0.9236 0.9336 1.8356 1.8622 2.4597 2.4907 3.0684 3.0971 3.2021 3.2246 3.6056 3.6178 4.1616 4.1740 4.4642 4.4734 7.7189 7.7240 8.2217 8.2463 8.6995 8.7439 9.3824 9.3904 k = 0.0990 0.5356 0.3371 ( 4197 PWs) bands (ev): -10.7135 -10.7027 -9.8566 -9.8444 -9.7527 -9.7159 -9.1498 -9.0848 -8.9568 -8.9474 -8.8847 -8.8551 -7.8051 -7.7998 -7.4140 -7.3961 -7.1281 -7.1137 -3.2516 -3.2491 -0.8724 -0.8686 -0.3458 -0.3437 0.2265 0.2321 0.9411 0.9501 1.8471 1.8725 2.4323 2.4618 3.0699 3.0935 3.2118 3.2316 3.5925 3.6040 4.1743 4.1855 4.4580 4.4665 7.7191 7.7236 8.2582 8.2812 8.7247 8.7670 9.3637 9.3713 k = 0.0825 0.5304 0.3440 ( 4199 PWs) bands (ev): -10.7134 -10.7043 -9.8565 -9.8459 -9.7509 -9.7201 -9.1459 -9.0914 -8.9560 -8.9482 -8.8826 -8.8578 -7.8067 -7.8024 -7.4058 -7.3907 -7.1180 -7.1059 -3.2696 -3.2675 -0.8627 -0.8595 -0.3574 -0.3557 0.2260 0.2308 0.9565 0.9643 1.8587 1.8820 2.4073 2.4344 3.0696 3.0883 3.2257 3.2426 3.5783 3.5891 4.1854 4.1952 4.4526 4.4601 7.7190 7.7229 8.2914 8.3119 8.7494 8.7883 9.3479 9.3550 k = 0.0660 0.5251 0.3510 ( 4195 PWs) bands (ev): -10.7132 -10.7059 -9.8561 -9.8475 -9.7489 -9.7242 -9.1417 -9.0979 -8.9552 -8.9490 -8.8803 -8.8605 -7.8081 -7.8046 -7.3986 -7.3866 -7.1091 -7.0994 -3.2847 -3.2830 -0.8544 -0.8518 -0.3670 -0.3656 0.2257 0.2297 0.9697 0.9761 1.8699 1.8903 2.3857 2.4093 3.0685 3.0827 3.2416 3.2555 3.5641 3.5737 4.1949 4.2031 4.4480 4.4544 7.7189 7.7221 8.3203 8.3378 8.7727 8.8064 9.3353 9.3416 k = 0.0495 0.5199 0.3579 ( 4203 PWs) bands (ev): -10.7128 -10.7073 -9.8555 -9.8489 -9.7466 -9.7281 -9.1371 -9.1042 -8.9545 -8.9498 -8.8781 -8.8631 -7.8091 -7.8065 -7.3927 -7.3836 -7.1016 -7.0943 -3.2967 -3.2954 -0.8477 -0.8457 -0.3745 -0.3734 0.2256 0.2287 0.9803 0.9853 1.8803 1.8968 2.3685 2.3876 3.0674 3.0776 3.2575 3.2684 3.5507 3.5588 4.2027 4.2091 4.4445 4.4496 7.7188 7.7212 8.3443 8.3581 8.7934 8.8203 9.3260 9.3311 k = 0.0330 0.5147 0.3649 ( 4207 PWs) bands (ev): -10.7123 -10.7086 -9.8548 -9.8503 -9.7441 -9.7318 -9.1323 -9.1103 -8.9537 -8.9506 -8.8757 -8.8657 -7.8097 -7.8079 -7.3881 -7.3820 -7.0959 -7.0910 -3.3053 -3.3044 -0.8428 -0.8414 -0.3798 -0.3791 0.2257 0.2277 0.9883 0.9917 1.8892 1.9010 2.3567 2.3701 3.0667 3.0733 3.2716 3.2792 3.5399 3.5458 4.2087 4.2131 4.4421 4.4457 7.7188 7.7205 8.3628 8.3723 8.8104 8.8293 9.3199 9.3235 k = 0.0165 0.5094 0.3719 ( 4198 PWs) bands (ev): -10.7116 -10.7097 -9.8539 -9.8516 -9.7414 -9.7352 -9.1271 -9.1161 -8.9529 -8.9514 -8.8733 -8.8682 -7.8099 -7.8090 -7.3846 -7.3816 -7.0919 -7.0894 -3.3104 -3.3100 -0.8396 -0.8389 -0.3829 -0.3826 0.2259 0.2270 0.9935 0.9952 1.8962 1.9023 2.3508 2.3577 3.0668 3.0701 3.2819 3.2859 3.5331 3.5363 4.2128 4.2150 4.4411 4.4429 7.7189 7.7198 8.3751 8.3799 8.8231 8.8327 9.3168 9.3187 k = 0.0000 0.5042 0.3788 ( 4194 PWs) bands (ev): -10.7107 -10.7107 -9.8528 -9.8528 -9.7384 -9.7384 -9.1218 -9.1218 -8.9522 -8.9522 -8.8708 -8.8708 -7.8097 -7.8097 -7.3825 -7.3825 -7.0897 -7.0897 -3.3120 -3.3120 -0.8384 -0.8384 -0.3838 -0.3838 0.2264 0.2264 0.9958 0.9958 1.9007 1.9007 2.3511 2.3511 3.0679 3.0679 3.2870 3.2870 3.5318 3.5318 4.2149 4.2149 4.4413 4.4413 7.7193 7.7193 8.3809 8.3809 8.8306 8.8306 9.3165 9.3165 k = 0.0000 0.5042 0.3788 ( 4194 PWs) bands (ev): -10.7107 -10.7107 -9.8528 -9.8528 -9.7384 -9.7384 -9.1218 -9.1218 -8.9522 -8.9522 -8.8708 -8.8708 -7.8097 -7.8097 -7.3825 -7.3825 -7.0897 -7.0897 -3.3120 -3.3120 -0.8384 -0.8384 -0.3838 -0.3838 0.2264 0.2264 0.9958 0.9958 1.9007 1.9007 2.3511 2.3511 3.0679 3.0679 3.2870 3.2870 3.5318 3.5318 4.2149 4.2149 4.4413 4.4413 7.7193 7.7193 8.3809 8.3809 8.8306 8.8306 9.3165 9.3165 k = 0.0086 0.4944 0.3919 ( 4204 PWs) bands (ev): -10.7116 -10.7097 -9.8545 -9.8512 -9.7442 -9.7325 -9.1270 -9.1165 -8.9527 -8.9516 -8.8722 -8.8691 -7.8103 -7.8089 -7.3841 -7.3817 -7.0907 -7.0892 -3.3115 -3.3109 -0.8417 -0.8403 -0.3841 -0.3822 0.2249 0.2254 0.9968 0.9993 1.8987 1.9031 2.3519 2.3536 3.0636 3.0696 3.2873 3.2876 3.5305 3.5358 4.2156 4.2162 4.4406 4.4416 7.7187 7.7194 8.3772 8.3800 8.8297 8.8319 9.3127 9.3159 k = 0.0172 0.4846 0.4049 ( 4210 PWs) bands (ev): -10.7122 -10.7084 -9.8563 -9.8495 -9.7498 -9.7265 -9.1323 -9.1113 -8.9532 -8.9511 -8.8734 -8.8673 -7.8109 -7.8081 -7.3867 -7.3817 -7.0923 -7.0893 -3.3093 -3.3082 -0.8503 -0.8477 -0.3831 -0.3795 0.2211 0.2219 1.0022 1.0071 1.8973 1.9060 2.3560 2.3594 3.0568 3.0687 3.2884 3.2891 3.5319 3.5422 4.2180 4.2192 4.4394 4.4415 7.7175 7.7190 8.3692 8.3746 8.8291 8.8334 9.3047 9.3111 k = 0.0259 0.4748 0.4180 ( 4206 PWs) bands (ev): -10.7126 -10.7069 -9.8580 -9.8479 -9.7552 -9.7203 -9.1375 -9.1061 -8.9536 -8.9505 -8.8744 -8.8653 -7.8113 -7.8072 -7.3900 -7.3826 -7.0944 -7.0899 -3.3055 -3.3038 -0.8639 -0.8600 -0.3810 -0.3757 0.2149 0.2161 1.0119 1.0191 1.8965 1.9094 2.3633 2.3681 3.0481 3.0653 3.2905 3.2913 3.5361 3.5508 4.2223 4.2241 4.4377 4.4408 7.7159 7.7181 8.3572 8.3650 8.8290 8.8351 9.2927 9.3021 k = 0.0345 0.4650 0.4311 ( 4204 PWs) bands (ev): -10.7128 -10.7052 -9.8597 -9.8463 -9.7604 -9.7140 -9.1426 -9.1011 -8.9541 -8.9499 -8.8752 -8.8631 -7.8117 -7.8062 -7.3940 -7.3842 -7.0970 -7.0910 -3.3001 -3.2979 -0.8818 -0.8771 -0.3779 -0.3712 0.2065 0.2081 1.0257 1.0352 1.8964 1.9133 2.3735 2.3797 3.0378 3.0597 3.2933 3.2942 3.5427 3.5612 4.2281 4.2305 4.4356 4.4398 7.7138 7.7168 8.3415 8.3515 8.8296 8.8372 9.2770 9.2893 k = 0.0431 0.4551 0.4441 ( 4208 PWs) bands (ev): -10.7128 -10.7033 -9.8614 -9.8447 -9.7654 -9.7077 -9.1475 -9.0962 -8.9544 -8.9494 -8.8757 -8.8607 -7.8121 -7.8053 -7.3988 -7.3865 -7.1002 -7.0926 -3.2931 -3.2904 -0.9037 -0.8983 -0.3741 -0.3663 0.1960 0.1980 1.0433 1.0549 1.8971 1.9179 2.3862 2.3936 3.0264 3.0523 3.2969 3.2979 3.5515 3.5731 4.2353 4.2383 4.4330 4.4384 7.7113 7.7149 8.3226 8.3345 8.8308 8.8397 9.2580 9.2728 k = 0.0517 0.4453 0.4572 ( 4210 PWs) bands (ev): -10.7125 -10.7013 -9.8631 -9.8432 -9.7701 -9.7014 -9.1523 -9.0915 -8.9548 -8.9488 -8.8759 -8.8582 -7.8125 -7.8045 -7.4040 -7.3894 -7.1039 -7.0947 -3.2847 -3.2815 -0.9291 -0.9231 -0.3699 -0.3612 0.1836 0.1860 1.0644 1.0780 1.8989 1.9233 2.4011 2.4095 3.0143 3.0436 3.3012 3.3024 3.5622 3.5860 4.2436 4.2472 4.4302 4.4366 7.7082 7.7125 8.3010 8.3146 8.8327 8.8427 9.2361 9.2531 k = 0.0603 0.4355 0.4703 ( 4208 PWs) bands (ev): -10.7120 -10.6991 -9.8647 -9.8418 -9.7747 -9.6950 -9.1569 -9.0869 -8.9551 -8.9483 -8.8759 -8.8555 -7.8130 -7.8039 -7.4097 -7.3927 -7.1081 -7.0974 -3.2749 -3.2711 -0.9572 -0.9509 -0.3656 -0.3562 0.1695 0.1723 1.0887 1.1041 1.9018 1.9295 2.4176 2.4269 3.0020 3.0341 3.3061 3.3080 3.5742 3.5996 4.2527 4.2570 4.4270 4.4347 7.7047 7.7096 8.2775 8.2924 8.8354 8.8462 9.2117 9.2308 k = 0.0690 0.4257 0.4833 ( 4206 PWs) bands (ev): -10.7114 -10.6968 -9.8663 -9.8404 -9.7790 -9.6888 -9.1612 -9.0827 -8.9553 -8.9478 -8.8756 -8.8528 -7.8136 -7.8034 -7.4157 -7.3963 -7.1128 -7.1005 -3.2638 -3.2595 -0.9878 -0.9813 -0.3613 -0.3514 0.1539 0.1571 1.1159 1.1329 1.9060 1.9368 2.4349 2.4452 2.9898 3.0239 3.3120 3.3147 3.5873 3.6137 4.2621 4.2672 4.4235 4.4326 7.7009 7.7064 8.2525 8.2686 8.8387 8.8502 9.1854 9.2062 k = 0.0776 0.4159 0.4964 ( 4204 PWs) bands (ev): -10.7105 -10.6944 -9.8678 -9.8390 -9.7831 -9.6825 -9.1654 -9.0786 -8.9555 -8.9473 -8.8750 -8.8499 -7.8144 -7.8033 -7.4217 -7.4001 -7.1180 -7.1041 -3.2515 -3.2466 -1.0201 -1.0136 -0.3572 -0.3469 0.1370 0.1405 1.1455 1.1640 1.9117 1.9452 2.4524 2.4639 2.9779 3.0135 3.3190 3.3228 3.6012 3.6281 4.2715 4.2775 4.4200 4.4305 7.6968 7.7028 8.2267 8.2437 8.8424 8.8547 9.1578 9.1800 k = 0.0862 0.4061 0.5094 ( 4200 PWs) bands (ev): -10.7095 -10.6920 -9.8693 -9.8377 -9.7870 -9.6765 -9.1692 -9.0749 -8.9556 -8.9468 -8.8741 -8.8469 -7.8155 -7.8036 -7.4276 -7.4039 -7.1236 -7.1081 -3.2381 -3.2327 -1.0539 -1.0474 -0.3533 -0.3429 0.1189 0.1229 1.1774 1.1972 1.9189 1.9548 2.4693 2.4825 2.9665 3.0031 3.3272 3.3322 3.6158 3.6428 4.2803 4.2873 4.4165 4.4285 7.6925 7.6990 8.2005 8.2183 8.8462 8.8592 9.1294 9.1529 k = 0.0948 0.3963 0.5225 ( 4206 PWs) bands (ev): -10.7083 -10.6895 -9.8706 -9.8365 -9.7907 -9.6705 -9.1727 -9.0714 -8.9557 -8.9464 -8.8729 -8.8439 -7.8170 -7.8043 -7.4333 -7.4076 -7.1297 -7.1126 -3.2237 -3.2177 -1.0887 -1.0823 -0.3498 -0.3392 0.0999 0.1042 1.2111 1.2321 1.9278 1.9657 2.4847 2.5003 2.9556 2.9929 3.3367 3.3430 3.6309 3.6577 4.2880 4.2962 4.4132 4.4269 7.6883 7.6951 8.1744 8.1929 8.8495 8.8635 9.1011 9.1257 k = 0.1034 0.3864 0.5356 ( 4204 PWs) bands (ev): -10.7070 -10.6869 -9.8719 -9.8354 -9.7941 -9.6648 -9.1759 -9.0682 -8.9557 -8.9460 -8.8714 -8.8408 -7.8189 -7.8056 -7.4385 -7.4110 -7.1361 -7.1174 -3.2085 -3.2020 -1.1241 -1.1178 -0.3466 -0.3359 0.0800 0.0848 1.2464 1.2684 1.9383 1.9779 2.4981 2.5166 2.9455 2.9831 3.3475 3.3552 3.6467 3.6730 4.2942 4.3036 4.4104 4.4258 7.6842 7.6913 8.1487 8.1678 8.8515 8.8666 9.0739 9.0993 k = 0.1121 0.3766 0.5486 ( 4202 PWs) bands (ev): -10.7056 -10.6843 -9.8730 -9.8343 -9.7973 -9.6592 -9.1787 -9.0654 -8.9556 -8.9457 -8.8697 -8.8377 -7.8213 -7.8075 -7.4431 -7.4140 -7.1428 -7.1226 -3.1926 -3.1855 -1.1597 -1.1537 -0.3438 -0.3330 0.0596 0.0648 1.2831 1.3060 1.9505 1.9915 2.5088 2.5311 2.9359 2.9739 3.3594 3.3686 3.6634 3.6889 4.2985 4.3090 4.4083 4.4252 7.6805 7.6878 8.1237 8.1433 8.8511 8.8674 9.0492 9.0750 k = 0.1207 0.3668 0.5617 ( 4200 PWs) bands (ev): -10.7041 -10.6818 -9.8740 -9.8334 -9.8003 -9.6540 -9.1812 -9.0628 -8.9556 -8.9454 -8.8676 -8.8346 -7.8243 -7.8101 -7.4469 -7.4165 -7.1499 -7.1282 -3.1761 -3.1685 -1.1952 -1.1894 -0.3412 -0.3304 0.0386 0.0442 1.3208 1.3445 1.9643 2.0064 2.5164 2.5430 2.9270 2.9652 3.3721 3.3828 3.6813 3.7060 4.3005 4.3120 4.4069 4.4252 7.6773 7.6847 8.0996 8.1196 8.8470 8.8643 9.0285 9.0540 k = 0.1293 0.3570 0.5748 ( 4198 PWs) bands (ev): -10.7025 -10.6793 -9.8749 -9.8326 -9.8030 -9.6490 -9.1834 -9.0606 -8.9554 -8.9451 -8.8653 -8.8316 -7.8277 -7.8133 -7.4498 -7.4184 -7.1573 -7.1341 -3.1593 -3.1512 -1.2303 -1.2248 -0.3387 -0.3279 0.0173 0.0234 1.3594 1.3836 1.9797 2.0225 2.5208 2.5519 2.9186 2.9571 3.3851 3.3973 3.7009 3.7247 4.3004 4.3124 4.4063 4.4253 7.6748 7.6823 8.0767 8.0970 8.8379 8.8557 9.0134 9.0377 k = 0.1379 0.3472 0.5878 ( 4200 PWs) bands (ev): -10.7008 -10.6769 -9.8756 -9.8320 -9.8054 -9.6443 -9.1852 -9.0586 -8.9553 -8.9448 -8.8628 -8.8287 -7.8316 -7.8171 -7.4517 -7.4196 -7.1648 -7.1403 -3.1423 -3.1336 -1.2646 -1.2594 -0.3363 -0.3255 -0.0042 0.0023 1.3985 1.4233 1.9964 2.0397 2.5219 2.5576 2.9106 2.9495 3.3979 3.4115 3.7226 3.7454 4.2983 4.3106 4.4059 4.4254 7.6732 7.6806 8.0548 8.0755 8.8235 8.8412 9.0042 9.0263 k = 0.1466 0.3374 0.6009 ( 4202 PWs) bands (ev): -10.6992 -10.6745 -9.8762 -9.8316 -9.8075 -9.6399 -9.1867 -9.0570 -8.9551 -8.9446 -8.8600 -8.8259 -7.8360 -7.8216 -7.4526 -7.4201 -7.1725 -7.1467 -3.1253 -3.1161 -1.2980 -1.2931 -0.3339 -0.3231 -0.0257 -0.0189 1.4379 1.4631 2.0144 2.0579 2.5198 2.5600 2.9029 2.9422 3.4100 3.4246 3.7470 3.7687 4.2944 4.3067 4.4053 4.4248 7.6724 7.6798 8.0343 8.0552 8.8044 8.8215 8.9997 9.0191 k = 0.1552 0.3276 0.6140 ( 4200 PWs) bands (ev): -10.6975 -10.6723 -9.8767 -9.8314 -9.8093 -9.6359 -9.1879 -9.0556 -8.9549 -8.9445 -8.8571 -8.8233 -7.8407 -7.8265 -7.4525 -7.4200 -7.1802 -7.1533 -3.1085 -3.0988 -1.3300 -1.3254 -0.3312 -0.3205 -0.0472 -0.0400 1.4773 1.5027 2.0333 2.0767 2.5146 2.5590 2.8955 2.9352 3.4208 3.4361 3.7743 3.7950 4.2893 4.3014 4.4037 4.4231 7.6725 7.6799 8.0152 8.0362 8.7822 8.7986 8.9979 9.0147 k = 0.1638 0.3177 0.6270 ( 4202 PWs) bands (ev): -10.6959 -10.6702 -9.8770 -9.8315 -9.8107 -9.6323 -9.1888 -9.0544 -8.9547 -8.9443 -8.8541 -8.8209 -7.8456 -7.8318 -7.4513 -7.4193 -7.1879 -7.1599 -3.0921 -3.0819 -1.3605 -1.3561 -0.3282 -0.3175 -0.0685 -0.0609 1.5163 1.5418 2.0530 2.0961 2.5068 2.5549 2.8882 2.9283 3.4299 3.4455 3.8045 3.8242 4.2831 4.2950 4.4008 4.4198 7.6734 7.6808 7.9975 8.0187 8.7583 8.7740 8.9970 9.0115 k = 0.1724 0.3079 0.6401 ( 4212 PWs) bands (ev): -10.6944 -10.6683 -9.8772 -9.8318 -9.8118 -9.6290 -9.1894 -9.0535 -8.9545 -8.9442 -8.8509 -8.8187 -7.8506 -7.8373 -7.4493 -7.4182 -7.1954 -7.1666 -3.0763 -3.0656 -1.3891 -1.3850 -0.3248 -0.3141 -0.0894 -0.0816 1.5545 1.5800 2.0732 2.1158 2.4967 2.5481 2.8811 2.9213 3.4373 3.4528 3.8374 3.8564 4.2762 4.2880 4.3961 4.4146 7.6751 7.6826 7.9814 8.0026 8.7340 8.7490 8.9956 9.0083 k = 0.1810 0.2981 0.6531 ( 4212 PWs) bands (ev): -10.6929 -10.6665 -9.8773 -9.8324 -9.8125 -9.6261 -9.1898 -9.0527 -8.9542 -8.9441 -8.8478 -8.8168 -7.8555 -7.8430 -7.4464 -7.4167 -7.2027 -7.1731 -3.0614 -3.0502 -1.4155 -1.4118 -0.3207 -0.3101 -0.1099 -0.1017 1.5915 1.6168 2.0936 2.1355 2.4847 2.5388 2.8741 2.9143 3.4429 3.4580 3.8724 3.8910 4.2690 4.2806 4.3892 4.4073 7.6774 7.6851 7.9668 7.9882 8.7104 8.7248 8.9933 9.0044 k = 0.1897 0.2883 0.6662 ( 4208 PWs) bands (ev): -10.6915 -10.6649 -9.8773 -9.8331 -9.8130 -9.6236 -9.1901 -9.0521 -8.9540 -8.9440 -8.8447 -8.8152 -7.8602 -7.8486 -7.4429 -7.4150 -7.2096 -7.1795 -3.0475 -3.0360 -1.4397 -1.4361 -0.3160 -0.3054 -0.1297 -0.1213 1.6266 1.6516 2.1138 2.1548 2.4712 2.5276 2.8672 2.9073 3.4471 3.4614 3.9089 3.9276 4.2616 4.2733 4.3801 4.3978 7.6800 7.6879 7.9540 7.9754 8.6881 8.7019 8.9896 8.9994 k = 0.1983 0.2785 0.6793 ( 4208 PWs) bands (ev): -10.6903 -10.6636 -9.8772 -9.8340 -9.8133 -9.6214 -9.1902 -9.0517 -8.9538 -8.9439 -8.8416 -8.8139 -7.8645 -7.8540 -7.4389 -7.4134 -7.2160 -7.1856 -3.0349 -3.0230 -1.4611 -1.4578 -0.3105 -0.3000 -0.1488 -0.1402 1.6594 1.6838 2.1334 2.1734 2.4568 2.5152 2.8606 2.9003 3.4499 3.4634 3.9461 3.9653 4.2542 4.2660 4.3688 4.3860 7.6828 7.6911 7.9429 7.9643 8.6678 8.6810 8.9847 8.9934 k = 0.2069 0.2687 0.6923 ( 4218 PWs) bands (ev): -10.6892 -10.6624 -9.8771 -9.8348 -9.8134 -9.6196 -9.1902 -9.0514 -8.9537 -8.9439 -8.8388 -8.8129 -7.8683 -7.8590 -7.4345 -7.4121 -7.2218 -7.1912 -3.0239 -3.0116 -1.4798 -1.4767 -0.3041 -0.2938 -0.1669 -0.1582 1.6891 1.7127 2.1519 2.1910 2.4421 2.5022 2.8544 2.8936 3.4517 3.4642 3.9832 4.0034 4.2467 4.2588 4.3554 4.3724 7.6856 7.6941 7.9337 7.9550 8.6500 8.6626 8.9792 8.9868 k = 0.2155 0.2589 0.7054 ( 4230 PWs) bands (ev): -10.6883 -10.6614 -9.8770 -9.8356 -9.8134 -9.6182 -9.1901 -9.0511 -8.9535 -8.9438 -8.8363 -8.8122 -7.8714 -7.8634 -7.4301 -7.4112 -7.2267 -7.1961 -3.0145 -3.0019 -1.4954 -1.4924 -0.2969 -0.2869 -0.1839 -0.1751 1.7150 1.7377 2.1688 2.2071 2.4277 2.4894 2.8489 2.8874 3.4528 3.4644 4.0190 4.0408 4.2392 4.2516 4.3406 4.3576 7.6880 7.6970 7.9262 7.9474 8.6349 8.6471 8.9736 8.9802 k = 0.2241 0.2490 0.7185 ( 4226 PWs) bands (ev): -10.6875 -10.6606 -9.8768 -9.8363 -9.8134 -9.6170 -9.1900 -9.0510 -8.9534 -8.9438 -8.8341 -8.8117 -7.8738 -7.8671 -7.4257 -7.4109 -7.2306 -7.2003 -3.0070 -2.9942 -1.5077 -1.5049 -0.2890 -0.2794 -0.1994 -0.1907 1.7363 1.7580 2.1834 2.2211 2.4145 2.4778 2.8443 2.8822 3.4534 3.4641 4.0522 4.0764 4.2316 4.2438 4.3255 4.3427 7.6901 7.6994 7.9205 7.9417 8.6229 8.6347 8.9684 8.9742 k = 0.2328 0.2392 0.7315 ( 4234 PWs) bands (ev): -10.6870 -10.6601 -9.8767 -9.8368 -9.8134 -9.6162 -9.1899 -9.0509 -8.9533 -8.9438 -8.8325 -8.8115 -7.8755 -7.8700 -7.4216 -7.4113 -7.2335 -7.2034 -3.0016 -2.9886 -1.5166 -1.5139 -0.2808 -0.2719 -0.2127 -0.2045 1.7523 1.7730 2.1948 2.2323 2.4036 2.4683 2.8408 2.8781 3.4538 3.4637 4.0810 4.1085 4.2239 4.2348 4.3119 4.3295 7.6917 7.7012 7.9164 7.9376 8.6142 8.6257 8.9643 8.9694 k = 0.2414 0.2294 0.7446 ( 4236 PWs) bands (ev): -10.6867 -10.6597 -9.8766 -9.8371 -9.8133 -9.6157 -9.1899 -9.0508 -8.9533 -8.9437 -8.8314 -8.8114 -7.8764 -7.8719 -7.4181 -7.4126 -7.2353 -7.2053 -2.9983 -2.9852 -1.5221 -1.5194 -0.2733 -0.2660 -0.2223 -0.2153 1.7621 1.7823 2.2021 2.2396 2.3963 2.4621 2.8386 2.8756 3.4539 3.4634 4.1020 4.1335 4.2175 4.2245 4.3024 4.3202 7.6926 7.7023 7.9141 7.9351 8.6089 8.6202 8.9617 8.9664 k = 0.2500 0.2196 0.7576 ( 4236 PWs) bands (ev): -10.6866 -10.6596 -9.8766 -9.8372 -9.8133 -9.6156 -9.1898 -9.0508 -8.9533 -8.9437 -8.8311 -8.8114 -7.8767 -7.8726 -7.4159 -7.4140 -7.2358 -7.2060 -2.9971 -2.9840 -1.5239 -1.5212 -0.2697 -0.2638 -0.2257 -0.2200 1.7655 1.7854 2.2046 2.2422 2.3937 2.4599 2.8379 2.8747 3.4540 3.4633 4.1101 4.1439 4.2161 4.2176 4.2990 4.3169 7.6930 7.7027 7.9133 7.9343 8.6071 8.6184 8.9608 8.9653 k = 0.2500 0.2196 0.7576 ( 4236 PWs) bands (ev): -10.6866 -10.6596 -9.8766 -9.8372 -9.8133 -9.6156 -9.1898 -9.0508 -8.9533 -8.9437 -8.8311 -8.8114 -7.8767 -7.8726 -7.4159 -7.4140 -7.2358 -7.2060 -2.9971 -2.9840 -1.5239 -1.5212 -0.2697 -0.2638 -0.2257 -0.2200 1.7655 1.7854 2.2046 2.2422 2.3937 2.4599 2.8379 2.8747 3.4540 3.4633 4.1101 4.1439 4.2161 4.2176 4.2990 4.3169 7.6930 7.7027 7.9133 7.9343 8.6071 8.6184 8.9608 8.9653 k = 0.2604 0.2287 0.7455 ( 4236 PWs) bands (ev): -10.6866 -10.6597 -9.8766 -9.8376 -9.8128 -9.6159 -9.1897 -9.0509 -8.9532 -8.9437 -8.8312 -8.8114 -7.8766 -7.8723 -7.4170 -7.4131 -7.2355 -7.2057 -2.9977 -2.9846 -1.5238 -1.5212 -0.2696 -0.2629 -0.2238 -0.2175 1.7615 1.7812 2.2048 2.2421 2.3936 2.4592 2.8395 2.8760 3.4536 3.4630 4.1063 4.1385 4.2127 4.2179 4.3061 4.3231 7.6913 7.7010 7.9137 7.9347 8.6085 8.6197 8.9619 8.9664 k = 0.2708 0.2379 0.7333 ( 4236 PWs) bands (ev): -10.6866 -10.6599 -9.8766 -9.8384 -9.8113 -9.6167 -9.1891 -9.0513 -8.9532 -8.9437 -8.8316 -8.8116 -7.8763 -7.8717 -7.4188 -7.4121 -7.2347 -7.2050 -2.9992 -2.9863 -1.5237 -1.5211 -0.2686 -0.2605 -0.2180 -0.2107 1.7498 1.7689 2.2052 2.2417 2.3933 2.4571 2.8446 2.8801 3.4524 3.4621 4.0947 4.1223 4.2103 4.2204 4.3224 4.3382 7.6866 7.6962 7.9146 7.9356 8.6124 8.6237 8.9652 8.9698 k = 0.2812 0.2470 0.7211 ( 4230 PWs) bands (ev): -10.6867 -10.6602 -9.8767 -9.8397 -9.8091 -9.6180 -9.1883 -9.0519 -8.9531 -8.9435 -8.8322 -8.8118 -7.8759 -7.8708 -7.4208 -7.4114 -7.2335 -7.2041 -3.0014 -2.9887 -1.5235 -1.5209 -0.2658 -0.2566 -0.2086 -0.2006 1.7305 1.7487 2.2054 2.2408 2.3924 2.4534 2.8530 2.8872 3.4503 3.4605 4.0768 4.0995 4.2119 4.2262 4.3428 4.3578 7.6792 7.6886 7.9158 7.9366 8.6189 8.6302 8.9705 8.9751 k = 0.2917 0.2562 0.7089 ( 4230 PWs) bands (ev): -10.6868 -10.6607 -9.8767 -9.8410 -9.8063 -9.6198 -9.1872 -9.0527 -8.9529 -8.9434 -8.8330 -8.8121 -7.8752 -7.8698 -7.4230 -7.4111 -7.2320 -7.2030 -3.0040 -2.9916 -1.5230 -1.5205 -0.2611 -0.2512 -0.1959 -0.1876 1.7043 1.7215 2.2049 2.2392 2.3908 2.4485 2.8646 2.8974 3.4472 3.4581 4.0554 4.0742 4.2162 4.2337 4.3653 4.3798 7.6696 7.6788 7.9168 7.9376 8.6277 8.6391 8.9775 8.9820 k = 0.3021 0.2653 0.6967 ( 4227 PWs) bands (ev): -10.6869 -10.6612 -9.8769 -9.8423 -9.8031 -9.6219 -9.1859 -9.0535 -8.9528 -8.9432 -8.8339 -8.8125 -7.8743 -7.8686 -7.4252 -7.4113 -7.2304 -7.2021 -3.0067 -2.9947 -1.5224 -1.5199 -0.2546 -0.2443 -0.1801 -0.1719 1.6720 1.6880 2.2032 2.2365 2.3885 2.4424 2.8789 2.9106 3.4430 3.4547 4.0328 4.0488 4.2219 4.2417 4.3890 4.4029 7.6583 7.6674 7.9176 7.9383 8.6387 8.6502 8.9860 8.9903 k = 0.3125 0.2745 0.6846 ( 4221 PWs) bands (ev): -10.6871 -10.6618 -9.8770 -9.8435 -9.7996 -9.6244 -9.1844 -9.0544 -8.9526 -8.9431 -8.8349 -8.8129 -7.8733 -7.8672 -7.4275 -7.4117 -7.2290 -7.2014 -3.0092 -2.9976 -1.5215 -1.5190 -0.2466 -0.2362 -0.1615 -0.1537 1.6343 1.6492 2.2001 2.2326 2.3855 2.4356 2.8956 2.9266 3.4379 3.4504 4.0106 4.0246 4.2279 4.2492 4.4132 4.4266 7.6460 7.6548 7.9181 7.9386 8.6515 8.6633 8.9956 8.9997 k = 0.3229 0.2836 0.6724 ( 4219 PWs) bands (ev): -10.6872 -10.6624 -9.8773 -9.8446 -9.7959 -9.6271 -9.1828 -9.0552 -8.9524 -8.9429 -8.8360 -8.8132 -7.8722 -7.8658 -7.4298 -7.4124 -7.2279 -7.2012 -3.0112 -3.0001 -1.5202 -1.5178 -0.2373 -0.2270 -0.1404 -0.1330 1.5920 1.6059 2.1955 2.2273 2.3820 2.4283 2.9142 2.9450 3.4318 3.4451 3.9893 4.0019 4.2336 4.2560 4.4375 4.4504 7.6331 7.6416 7.9183 7.9386 8.6660 8.6782 9.0060 9.0097 k = 0.3333 0.2928 0.6602 ( 4217 PWs) bands (ev): -10.6874 -10.6630 -9.8775 -9.8454 -9.7920 -9.6300 -9.1812 -9.0559 -8.9522 -8.9426 -8.8372 -8.8136 -7.8709 -7.8643 -7.4321 -7.4134 -7.2273 -7.2015 -3.0124 -3.0019 -1.5186 -1.5162 -0.2271 -0.2169 -0.1171 -0.1103 1.5458 1.5589 2.1894 2.2205 2.3780 2.4208 2.9343 2.9654 3.4248 3.4388 3.9694 3.9812 4.2387 4.2618 4.4614 4.4738 7.6201 7.6284 7.9184 7.9384 8.6818 8.6946 9.0167 9.0204 k = 0.3438 0.3019 0.6480 ( 4219 PWs) bands (ev): -10.6876 -10.6636 -9.8777 -9.8459 -9.7880 -9.6329 -9.1796 -9.0564 -8.9520 -8.9424 -8.8384 -8.8139 -7.8695 -7.8628 -7.4344 -7.4146 -7.2275 -7.2026 -3.0126 -3.0026 -1.5166 -1.5142 -0.2161 -0.2061 -0.0918 -0.0857 1.4964 1.5090 2.1820 2.2126 2.3735 2.4131 2.9557 2.9873 3.4170 3.4316 3.9511 3.9624 4.2430 4.2665 4.4846 4.4963 7.6076 7.6155 7.9185 7.9382 8.6986 8.7123 9.0275 9.0317 k = 0.3542 0.3111 0.6359 ( 4218 PWs) bands (ev): -10.6878 -10.6642 -9.8780 -9.8462 -9.7839 -9.6359 -9.1782 -9.0567 -8.9518 -8.9422 -8.8397 -8.8142 -7.8680 -7.8612 -7.4366 -7.4158 -7.2284 -7.2045 -3.0115 -3.0022 -1.5141 -1.5117 -0.2046 -0.1948 -0.0651 -0.0596 1.4445 1.4568 2.1735 2.2036 2.3688 2.4055 2.9781 3.0103 3.4085 3.4235 3.9344 3.9457 4.2461 4.2699 4.5066 4.5176 7.5958 7.6033 7.9188 7.9380 8.7161 8.7308 9.0383 9.0436 k = 0.3646 0.3202 0.6237 ( 4218 PWs) bands (ev): -10.6880 -10.6647 -9.8782 -9.8463 -9.7799 -9.6389 -9.1769 -9.0566 -8.9516 -8.9421 -8.8410 -8.8143 -7.8664 -7.8595 -7.4387 -7.4172 -7.2304 -7.2073 -3.0091 -3.0004 -1.5110 -1.5086 -0.1926 -0.1831 -0.0373 -0.0323 1.3909 1.4030 2.1641 2.1937 2.3638 2.3980 3.0012 3.0340 3.3995 3.4148 3.9193 3.9308 4.2481 4.2719 4.5269 4.5372 7.5852 7.5923 7.9194 7.9381 8.7339 8.7500 9.0491 9.0559 k = 0.3750 0.3294 0.6115 ( 4213 PWs) bands (ev): -10.6883 -10.6652 -9.8783 -9.8462 -9.7759 -9.6417 -9.1759 -9.0561 -8.9515 -8.9419 -8.8424 -8.8144 -7.8648 -7.8577 -7.4407 -7.4185 -7.2333 -7.2111 -3.0052 -2.9972 -1.5074 -1.5049 -0.1804 -0.1711 -0.0087 -0.0044 1.3360 1.3482 2.1541 2.1832 2.3588 2.3908 3.0248 3.0579 3.3903 3.4057 3.9058 3.9177 4.2489 4.2727 4.5452 4.5548 7.5760 7.5827 7.9203 7.9386 8.7516 8.7692 9.0600 9.0688 k = 0.3854 0.3385 0.5993 ( 4213 PWs) bands (ev): -10.6887 -10.6656 -9.8784 -9.8459 -9.7720 -9.6442 -9.1751 -9.0552 -8.9513 -8.9418 -8.8437 -8.8145 -7.8630 -7.8559 -7.4426 -7.4199 -7.2374 -7.2157 -2.9998 -2.9924 -1.5031 -1.5005 -0.1681 -0.1590 0.0200 0.0238 1.2805 1.2929 2.1435 2.1722 2.3539 2.3840 3.0485 3.0818 3.3810 3.3962 3.8937 3.9062 4.2485 4.2721 4.5611 4.5699 7.5685 7.5747 7.9217 7.9395 8.7687 8.7882 9.0711 9.0820 k = 0.3958 0.3477 0.5871 ( 4196 PWs) bands (ev): -10.6891 -10.6660 -9.8784 -9.8455 -9.7684 -9.6465 -9.1747 -9.0539 -8.9513 -8.9417 -8.8451 -8.8144 -7.8611 -7.8541 -7.4444 -7.4213 -7.2425 -7.2213 -2.9929 -2.9862 -1.4980 -1.4953 -0.1557 -0.1468 0.0486 0.0519 1.2251 1.2377 2.1326 2.1609 2.3493 2.3778 3.0721 3.1050 3.3720 3.3868 3.8830 3.8960 4.2470 4.2704 4.5743 4.5824 7.5628 7.5685 7.9236 7.9410 8.7846 8.8063 9.0821 9.0955 k = 0.4062 0.3568 0.5750 ( 4200 PWs) bands (ev): -10.6895 -10.6663 -9.8782 -9.8448 -9.7651 -9.6484 -9.1745 -9.0521 -8.9513 -8.9416 -8.8464 -8.8143 -7.8592 -7.8522 -7.4462 -7.4226 -7.2486 -7.2276 -2.9846 -2.9785 -1.4920 -1.4892 -0.1435 -0.1348 0.0764 0.0793 1.1702 1.1831 2.1214 2.1494 2.3453 2.3724 3.0952 3.1273 3.3637 3.3777 3.8734 3.8870 4.2443 4.2675 4.5845 4.5920 7.5589 7.5641 7.9258 7.9428 8.7989 8.8231 9.0924 9.1087 k = 0.4167 0.3660 0.5628 ( 4200 PWs) bands (ev): -10.6900 -10.6665 -9.8779 -9.8441 -9.7621 -9.6499 -9.1747 -9.0499 -8.9513 -8.9416 -8.8477 -8.8141 -7.8573 -7.8503 -7.4479 -7.4240 -7.2557 -7.2346 -2.9751 -2.9695 -1.4851 -1.4822 -0.1315 -0.1229 0.1031 0.1057 1.1164 1.1296 2.1101 2.1378 2.3421 2.3680 3.1173 3.1479 3.3563 3.3696 3.8648 3.8791 4.2407 4.2635 4.5917 4.5985 7.5569 7.5617 7.9283 7.9449 8.8110 8.8381 9.1011 9.1207 k = 0.4271 0.3751 0.5506 ( 4202 PWs) bands (ev): -10.6905 -10.6666 -9.8775 -9.8432 -9.7597 -9.6508 -9.1751 -9.0474 -8.9514 -8.9416 -8.8490 -8.8139 -7.8553 -7.8483 -7.4495 -7.4253 -7.2635 -7.2421 -2.9645 -2.9594 -1.4771 -1.4741 -0.1199 -0.1113 0.1282 0.1305 1.0642 1.0777 2.0986 2.1260 2.3399 2.3648 3.1377 3.1663 3.3502 3.3630 3.8570 3.8719 4.2363 4.2588 4.5956 4.6019 7.5567 7.5610 7.9306 7.9469 8.8206 8.8509 9.1060 9.1293 k = 0.4375 0.3843 0.5384 ( 4200 PWs) bands (ev): -10.6911 -10.6668 -9.8769 -9.8423 -9.7577 -9.6512 -9.1757 -9.0446 -8.9516 -8.9416 -8.8503 -8.8136 -7.8532 -7.8463 -7.4511 -7.4267 -7.2719 -7.2500 -2.9532 -2.9484 -1.4679 -1.4647 -0.1086 -0.1001 0.1511 0.1533 1.0143 1.0280 2.0869 2.1142 2.3390 2.3631 3.1556 3.1817 3.3457 3.3592 3.8498 3.8652 4.2314 4.2535 4.5963 4.6022 7.5582 7.5621 7.9326 7.9486 8.8271 8.8609 9.1051 9.1316 k = 0.4479 0.3934 0.5263 ( 4202 PWs) bands (ev): -10.6917 -10.6669 -9.8762 -9.8412 -9.7563 -9.6511 -9.1766 -9.0415 -8.9519 -8.9417 -8.8516 -8.8133 -7.8511 -7.8443 -7.4528 -7.4282 -7.2807 -7.2580 -2.9414 -2.9369 -1.4573 -1.4541 -0.0979 -0.0894 0.1715 0.1738 0.9670 0.9808 2.0752 2.1023 2.3395 2.3631 3.1698 3.1936 3.3429 3.3591 3.8430 3.8589 4.2261 4.2480 4.5940 4.5994 7.5611 7.5649 7.9336 7.9493 8.8304 8.8680 9.0978 9.1254 k = 0.4583 0.4026 0.5141 ( 4199 PWs) bands (ev): -10.6924 -10.6670 -9.8753 -9.8401 -9.7554 -9.6505 -9.1775 -9.0383 -8.9523 -8.9417 -8.8528 -8.8131 -7.8490 -7.8423 -7.4545 -7.4297 -7.2895 -7.2661 -2.9295 -2.9253 -1.4453 -1.4419 -0.0878 -0.0793 0.1890 0.1913 0.9229 0.9369 2.0635 2.0904 2.3417 2.3648 3.1792 3.2018 3.3425 3.3627 3.8363 3.8526 4.2210 4.2425 4.5888 4.5940 7.5651 7.5690 7.9333 7.9487 8.8305 8.8721 9.0866 9.1125 k = 0.4688 0.4117 0.5019 ( 4198 PWs) bands (ev): -10.6931 -10.6671 -9.8743 -9.8389 -9.7551 -9.6494 -9.1785 -9.0350 -8.9528 -8.9418 -8.8540 -8.8128 -7.8469 -7.8403 -7.4563 -7.4315 -7.2980 -7.2739 -2.9179 -2.9137 -1.4316 -1.4281 -0.0785 -0.0699 0.2032 0.2057 0.8824 0.8965 2.0519 2.0786 2.3456 2.3685 3.1835 3.2064 3.3450 3.3695 3.8293 3.8461 4.2163 4.2374 4.5809 4.5859 7.5700 7.5744 7.9310 7.9461 8.8278 8.8731 9.0746 9.0972 k = 0.4792 0.4209 0.4897 ( 4202 PWs) bands (ev): -10.6939 -10.6673 -9.8732 -9.8377 -9.7554 -9.6479 -9.1795 -9.0317 -8.9533 -8.9420 -8.8552 -8.8126 -7.8448 -7.8383 -7.4582 -7.4334 -7.3061 -7.2813 -2.9069 -2.9028 -1.4162 -1.4125 -0.0701 -0.0614 0.2139 0.2167 0.8460 0.8600 2.0404 2.0670 2.3512 2.3742 3.1833 3.2072 3.3503 3.3782 3.8219 3.8389 4.2126 4.2332 4.5707 4.5756 7.5755 7.5808 7.9262 7.9410 8.8234 8.8718 9.0641 9.0828 k = 0.4896 0.4300 0.4775 ( 4194 PWs) bands (ev): -10.6947 -10.6675 -9.8719 -9.8364 -9.7560 -9.6463 -9.1805 -9.0286 -8.9540 -8.9421 -8.8564 -8.8125 -7.8427 -7.8362 -7.4602 -7.4356 -7.3133 -7.2880 -2.8970 -2.8929 -1.3990 -1.3952 -0.0628 -0.0539 0.2211 0.2241 0.8139 0.8277 2.0292 2.0557 2.3586 2.3817 3.1797 3.2048 3.3576 3.3875 3.8136 3.8309 4.2101 4.2304 4.5585 4.5634 7.5814 7.5878 7.9188 7.9332 8.8184 8.8689 9.0557 9.0711 k = 0.5000 0.4392 0.4654 ( 4190 PWs) bands (ev): -10.6955 -10.6679 -9.8706 -9.8351 -9.7571 -9.6445 -9.1813 -9.0256 -8.9547 -8.9422 -8.8576 -8.8125 -7.8405 -7.8341 -7.4624 -7.4379 -7.3195 -7.2940 -2.8885 -2.8843 -1.3798 -1.3759 -0.0567 -0.0477 0.2248 0.2282 0.7862 0.7997 2.0186 2.0450 2.3677 2.3911 3.1738 3.1996 3.3658 3.3965 3.8040 3.8216 4.2094 4.2294 4.5446 4.5496 7.5872 7.5951 7.9088 7.9227 8.8137 8.8654 9.0491 9.0622 k = 0.5000 0.4392 0.4654 ( 4190 PWs) bands (ev): -10.6955 -10.6679 -9.8706 -9.8351 -9.7571 -9.6445 -9.1813 -9.0256 -8.9547 -8.9422 -8.8576 -8.8125 -7.8405 -7.8341 -7.4624 -7.4379 -7.3195 -7.2940 -2.8885 -2.8843 -1.3798 -1.3759 -0.0567 -0.0477 0.2248 0.2282 0.7862 0.7997 2.0186 2.0450 2.3677 2.3911 3.1738 3.1996 3.3658 3.3965 3.8040 3.8216 4.2094 4.2294 4.5446 4.5496 7.5872 7.5951 7.9088 7.9227 8.8137 8.8654 9.0491 9.0622 k = 0.5000 0.4392 0.4467 ( 4186 PWs) bands (ev): -10.6968 -10.6685 -9.8683 -9.8331 -9.7589 -9.6419 -9.1822 -9.0214 -8.9558 -8.9425 -8.8594 -8.8127 -7.8373 -7.8310 -7.4656 -7.4415 -7.3280 -7.3024 -2.8770 -2.8727 -1.3489 -1.3448 -0.0483 -0.0390 0.2281 0.2320 0.7477 0.7606 2.0042 2.0305 2.3826 2.4066 3.1618 3.1886 3.3789 3.4096 3.7885 3.8066 4.2096 4.2292 4.5222 4.5274 7.5934 7.6040 7.8914 7.9044 8.8073 8.8593 9.0389 9.0503 k = 0.5000 0.4392 0.4281 ( 4192 PWs) bands (ev): -10.6980 -10.6693 -9.8657 -9.8311 -9.7606 -9.6398 -9.1825 -9.0176 -8.9570 -8.9428 -8.8610 -8.8131 -7.8346 -7.8284 -7.4682 -7.4448 -7.3362 -7.3107 -2.8661 -2.8617 -1.3178 -1.3135 -0.0396 -0.0302 0.2315 0.2360 0.7103 0.7226 1.9927 2.0187 2.3970 2.4214 3.1475 3.1753 3.3927 3.4223 3.7733 3.7923 4.2096 4.2287 4.4996 4.5049 7.5939 7.6078 7.8743 7.8862 8.8011 8.8521 9.0253 9.0363 k = 0.5000 0.4392 0.4095 ( 4184 PWs) bands (ev): -10.6992 -10.6702 -9.8630 -9.8293 -9.7620 -9.6381 -9.1823 -9.0141 -8.9583 -8.9431 -8.8625 -8.8136 -7.8324 -7.8264 -7.4702 -7.4477 -7.3441 -7.3188 -2.8558 -2.8514 -1.2868 -1.2823 -0.0307 -0.0212 0.2348 0.2400 0.6748 0.6862 1.9844 2.0101 2.4106 2.4353 3.1314 3.1604 3.4062 3.4340 3.7584 3.7787 4.2094 4.2280 4.4771 4.4824 7.5881 7.6059 7.8583 7.8695 8.7950 8.8439 9.0077 9.0192 k = 0.5000 0.4392 0.3909 ( 4182 PWs) bands (ev): -10.7003 -10.6713 -9.8600 -9.8275 -9.7633 -9.6370 -9.1814 -9.0110 -8.9596 -8.9434 -8.8638 -8.8142 -7.8308 -7.8249 -7.4715 -7.4501 -7.3516 -7.3266 -2.8464 -2.8419 -1.2562 -1.2515 -0.0216 -0.0121 0.2377 0.2438 0.6416 0.6520 1.9794 2.0047 2.4233 2.4483 3.1140 3.1442 3.4188 3.4441 3.7441 3.7662 4.2092 4.2270 4.4548 4.4601 7.5763 7.5981 7.8440 7.8551 8.7883 8.8342 8.9860 8.9986 k = 0.5000 0.4392 0.3723 ( 4182 PWs) bands (ev): -10.7013 -10.6724 -9.8568 -9.8258 -9.7643 -9.6363 -9.1798 -9.0082 -8.9611 -8.9438 -8.8649 -8.8150 -7.8299 -7.8242 -7.4721 -7.4519 -7.3587 -7.3341 -2.8377 -2.8333 -1.2262 -1.2213 -0.0125 -0.0030 0.2399 0.2471 0.6113 0.6207 1.9779 2.0027 2.4348 2.4603 3.0956 3.1270 3.4296 3.4521 3.7304 3.7550 4.2088 4.2259 4.4329 4.4381 7.5592 7.5847 7.8313 7.8432 8.7803 8.8224 8.9606 8.9745 k = 0.5000 0.4392 0.3537 ( 4184 PWs) bands (ev): -10.7023 -10.6736 -9.8536 -9.8242 -9.7651 -9.6362 -9.1777 -9.0059 -8.9627 -8.9442 -8.8658 -8.8159 -7.8298 -7.8241 -7.4720 -7.4531 -7.3654 -7.3412 -2.8301 -2.8256 -1.1970 -1.1920 -0.0033 0.0060 0.2410 0.2494 0.5847 0.5929 1.9800 2.0043 2.4452 2.4710 3.0766 3.1093 3.4380 3.4573 3.7177 3.7452 4.2085 4.2247 4.4117 4.4167 7.5382 7.5668 7.8202 7.8331 8.7701 8.8077 8.9320 8.9474 k = 0.5000 0.4392 0.3351 ( 4184 PWs) bands (ev): -10.7031 -10.6749 -9.8502 -9.8227 -9.7656 -9.6365 -9.1749 -9.0040 -8.9643 -8.9446 -8.8664 -8.8169 -7.8303 -7.8247 -7.4712 -7.4536 -7.3717 -7.3479 -2.8234 -2.8190 -1.1690 -1.1638 0.0058 0.0149 0.2406 0.2502 0.5623 0.5692 1.9859 2.0097 2.4541 2.4804 3.0574 3.0912 3.4429 3.4591 3.7067 3.7374 4.2081 4.2234 4.3913 4.3960 7.5147 7.5457 7.8101 7.8239 8.7570 8.7893 8.9008 8.9177 k = 0.5000 0.4392 0.3164 ( 4180 PWs) bands (ev): -10.7039 -10.6763 -9.8467 -9.8212 -9.7659 -9.6375 -9.1716 -9.0025 -8.9659 -8.9452 -8.8668 -8.8180 -7.8315 -7.8259 -7.4696 -7.4534 -7.3776 -7.3541 -2.8176 -2.8134 -1.1423 -1.1370 0.0148 0.0237 0.2382 0.2490 0.5446 0.5503 1.9956 2.0188 2.4616 2.4884 3.0381 3.0730 3.4433 3.4569 3.6979 3.7318 4.2078 4.2220 4.3720 4.3763 7.4901 7.5228 7.8007 7.8151 8.7404 8.7669 8.8679 8.8861 k = 0.5000 0.4392 0.2978 ( 4178 PWs) bands (ev): -10.7046 -10.6777 -9.8432 -9.8198 -9.7658 -9.6389 -9.1677 -9.0016 -8.9675 -8.9458 -8.8670 -8.8192 -7.8334 -7.8278 -7.4674 -7.4527 -7.3830 -7.3599 -2.8129 -2.8088 -1.1172 -1.1118 0.0237 0.0324 0.2338 0.2456 0.5317 0.5363 2.0093 2.0318 2.4676 2.4948 3.0190 3.0549 3.4382 3.4501 3.6921 3.7287 4.2076 4.2207 4.3538 4.3578 7.4654 7.4993 7.7915 7.8063 8.7201 8.7404 8.8337 8.8530 k = 0.5000 0.4392 0.2792 ( 4188 PWs) bands (ev): -10.7052 -10.6792 -9.8398 -9.8184 -9.7655 -9.6409 -9.1632 -9.0013 -8.9690 -8.9465 -8.8669 -8.8205 -7.8359 -7.8301 -7.4647 -7.4514 -7.3879 -7.3652 -2.8091 -2.8051 -1.0938 -1.0884 0.0326 0.0410 0.2273 0.2399 0.5236 0.5273 2.0269 2.0487 2.4720 2.4996 3.0006 3.0371 3.4270 3.4380 3.6897 3.7281 4.2076 4.2195 4.3370 4.3405 7.4415 7.4760 7.7824 7.7974 8.6960 8.7102 8.7987 8.8187 k = 0.5000 0.4392 0.2606 ( 4188 PWs) bands (ev): -10.7057 -10.6808 -9.8364 -9.8172 -9.7647 -9.6433 -9.1583 -9.0016 -8.9704 -8.9473 -8.8665 -8.8219 -7.8389 -7.8329 -7.4615 -7.4497 -7.3923 -7.3699 -2.8062 -2.8024 -1.0724 -1.0670 0.0415 0.0496 0.2192 0.2323 0.5197 0.5227 2.0484 2.0695 2.4748 2.5028 2.9829 3.0199 3.4097 3.4204 3.6909 3.7300 4.2076 4.2185 4.3216 4.3246 7.4191 7.4537 7.7735 7.7884 8.6685 8.6772 8.7632 8.7832 k = 0.5000 0.4392 0.2420 ( 4192 PWs) bands (ev): -10.7061 -10.6823 -9.8332 -9.8160 -9.7635 -9.6462 -9.1529 -9.0025 -8.9715 -8.9482 -8.8659 -8.8234 -7.8423 -7.8362 -7.4580 -7.4475 -7.3963 -7.3742 -2.8041 -2.8005 -1.0530 -1.0476 0.0504 0.0583 0.2100 0.2232 0.5194 0.5219 2.0739 2.0942 2.4761 2.5042 2.9663 3.0033 3.3868 3.3970 3.6952 3.7340 4.2078 4.2176 4.3076 4.3102 7.3984 7.4328 7.7649 7.7794 8.6383 8.6426 8.7271 8.7467 k = 0.5000 0.4392 0.2234 ( 4188 PWs) bands (ev): -10.7064 -10.6839 -9.8302 -9.8149 -9.7619 -9.6496 -9.1472 -9.0042 -8.9723 -8.9492 -8.8651 -8.8249 -7.8459 -7.8397 -7.4542 -7.4451 -7.3997 -7.3781 -2.8028 -2.7994 -1.0358 -1.0305 0.0594 0.0669 0.2004 0.2133 0.5218 0.5238 2.1032 2.1227 2.4760 2.5039 2.9510 2.9876 3.3586 3.3682 3.7021 3.7396 4.2081 4.2169 4.2950 4.2972 7.3797 7.4136 7.7569 7.7708 8.6058 8.6078 8.6905 8.7092 k = 0.5000 0.4392 0.2048 ( 4192 PWs) bands (ev): -10.7066 -10.6856 -9.8274 -9.8138 -9.7598 -9.6533 -9.1410 -9.0067 -8.9727 -8.9503 -8.8641 -8.8265 -7.8496 -7.8434 -7.4504 -7.4425 -7.4026 -7.3814 -2.8020 -2.7989 -1.0207 -1.0155 0.0685 0.0757 0.1909 0.2033 0.5260 0.5277 2.1361 2.1548 2.4747 2.5021 2.9371 2.9729 3.3258 3.3345 3.7109 3.7465 4.2085 4.2164 4.2837 4.2857 7.3633 7.3961 7.7496 7.7629 8.5711 8.5745 8.6536 8.6710 k = 0.5000 0.4392 0.1861 ( 4192 PWs) bands (ev): -10.7067 -10.6872 -9.8249 -9.8129 -9.7572 -9.6574 -9.1346 -9.0097 -8.9729 -8.9515 -8.8630 -8.8282 -7.8534 -7.8472 -7.4466 -7.4398 -7.4050 -7.3843 -2.8019 -2.7990 -1.0077 -1.0028 0.0777 0.0844 0.1819 0.1935 0.5314 0.5329 2.1725 2.1903 2.4723 2.4988 2.9248 2.9592 3.2888 3.2965 3.7210 3.7543 4.2089 4.2161 4.2737 4.2756 7.3491 7.3804 7.7435 7.7559 8.5367 8.5419 8.6168 8.6326 k = 0.5000 0.4392 0.1675 ( 4190 PWs) bands (ev): -10.7066 -10.6888 -9.8227 -9.8121 -9.7542 -9.6619 -9.1280 -9.0134 -8.9728 -8.9527 -8.8617 -8.8299 -7.8571 -7.8510 -7.4431 -7.4372 -7.4068 -7.3868 -2.8021 -2.7995 -0.9967 -0.9920 0.0868 0.0931 0.1736 0.1844 0.5374 0.5386 2.2120 2.2289 2.4691 2.4944 2.9141 2.9466 3.2481 3.2548 3.7317 3.7624 4.2094 4.2160 4.2649 4.2669 7.3370 7.3664 7.7388 7.7501 8.5038 8.5101 8.5804 8.5946 k = 0.5000 0.4392 0.1489 ( 4186 PWs) bands (ev): -10.7065 -10.6904 -9.8207 -9.8115 -9.7506 -9.6666 -9.1211 -9.0176 -8.9724 -8.9540 -8.8602 -8.8316 -7.8605 -7.8547 -7.4400 -7.4347 -7.4079 -7.3890 -2.8027 -2.8004 -0.9875 -0.9833 0.0958 0.1016 0.1663 0.1762 0.5435 0.5445 2.2543 2.2703 2.4654 2.4891 2.9051 2.9352 3.2043 3.2100 3.7428 3.7706 4.2097 4.2159 4.2574 4.2595 7.3269 7.3541 7.7355 7.7457 8.4728 8.4797 8.5451 8.5576 k = 0.5000 0.4392 0.1303 ( 4192 PWs) bands (ev): -10.7062 -10.6919 -9.8189 -9.8110 -9.7466 -9.6716 -9.1141 -9.0223 -8.9719 -8.9554 -8.8587 -8.8334 -7.8637 -7.8583 -7.4373 -7.4325 -7.4083 -7.3907 -2.8035 -2.8014 -0.9801 -0.9762 0.1045 0.1097 0.1601 0.1690 0.5493 0.5502 2.2987 2.3139 2.4617 2.4834 2.8976 2.9250 3.1580 3.1628 3.7538 3.7785 4.2098 4.2157 4.2511 4.2534 7.3187 7.3433 7.7338 7.7427 8.4441 8.4512 8.5116 8.5225 k = 0.5000 0.4392 0.1117 ( 4196 PWs) bands (ev): -10.7058 -10.6935 -9.8174 -9.8106 -9.7422 -9.6768 -9.1069 -9.0274 -8.9712 -8.9567 -8.8571 -8.8352 -7.8666 -7.8617 -7.4351 -7.4307 -7.4080 -7.3922 -2.8044 -2.8026 -0.9742 -0.9708 0.1127 0.1172 0.1551 0.1628 0.5547 0.5555 2.3442 2.3589 2.4585 2.4780 2.8917 2.9159 3.1100 3.1138 3.7643 3.7858 4.2098 4.2152 4.2461 4.2485 7.3122 7.3339 7.7336 7.7411 8.4181 8.4249 8.4807 8.4900 k = 0.5000 0.4392 0.0931 ( 4192 PWs) bands (ev): -10.7053 -10.6949 -9.8161 -9.8104 -9.7375 -9.6821 -9.0998 -9.0329 -8.9704 -8.9581 -8.8554 -8.8371 -7.8690 -7.8647 -7.4333 -7.4295 -7.4071 -7.3935 -2.8053 -2.8038 -0.9696 -0.9667 0.1201 0.1238 0.1512 0.1577 0.5594 0.5601 2.3887 2.4038 2.4570 2.4744 2.8873 2.9080 3.0610 3.0641 3.7741 3.7922 4.2095 4.2144 4.2424 4.2447 7.3073 7.3258 7.7346 7.7408 8.3949 8.4010 8.4535 8.4612 k = 0.5000 0.4392 0.0745 ( 4208 PWs) bands (ev): -10.7047 -10.6964 -9.8149 -9.8104 -9.7324 -9.6877 -9.0926 -9.0386 -8.9695 -8.9595 -8.8537 -8.8389 -7.8710 -7.8674 -7.4320 -7.4288 -7.4057 -7.3946 -2.8062 -2.8050 -0.9661 -0.9637 0.1263 0.1291 0.1486 0.1538 0.5633 0.5639 2.4241 2.4405 2.4645 2.4799 2.8841 2.9011 3.0124 3.0150 3.7829 3.7975 4.2090 4.2132 4.2399 4.2420 7.3039 7.3189 7.7365 7.7414 8.3750 8.3800 8.4306 8.4366 k = 0.5000 0.4392 0.0558 ( 4210 PWs) bands (ev): -10.7040 -10.6977 -9.8139 -9.8105 -9.7272 -9.6933 -9.0854 -9.0447 -8.9685 -8.9609 -8.8519 -8.8408 -7.8724 -7.8697 -7.4309 -7.4284 -7.4041 -7.3956 -2.8068 -2.8060 -0.9635 -0.9617 0.1310 0.1327 0.1474 0.1512 0.5665 0.5669 2.4370 2.4481 2.4987 2.5077 2.8821 2.8953 2.9661 2.9683 3.7904 3.8015 4.2085 4.2118 4.2384 4.2401 7.3017 7.3131 7.7389 7.7424 8.3586 8.3624 8.4126 8.4171 k = 0.5000 0.4392 0.0372 ( 4214 PWs) bands (ev): -10.7032 -10.6990 -9.8130 -9.8107 -9.7217 -9.6990 -9.0782 -9.0510 -8.9674 -8.9623 -8.8501 -8.8426 -7.8733 -7.8714 -7.4300 -7.4284 -7.4024 -7.3967 -2.8073 -2.8067 -0.9617 -0.9604 0.1339 0.1346 0.1476 0.1499 0.5688 0.5691 2.4393 2.4463 2.5369 2.5430 2.8810 2.8903 2.9257 2.9274 3.7965 3.8039 4.2082 4.2104 4.2377 4.2388 7.3008 7.3085 7.7412 7.7435 8.3464 8.3489 8.3999 8.4028 k = 0.5000 0.4392 0.0186 ( 4218 PWs) bands (ev): -10.7023 -10.7002 -9.8122 -9.8111 -9.7161 -9.7047 -9.0712 -9.0576 -8.9662 -8.9636 -8.8482 -8.8445 -7.8737 -7.8727 -7.4294 -7.4286 -7.4007 -7.3979 -2.8076 -2.8073 -0.9605 -0.9599 0.1351 0.1354 0.1484 0.1495 0.5702 0.5703 2.4402 2.4437 2.5664 2.5698 2.8798 2.8853 2.8973 2.8991 3.8009 3.8047 4.2081 4.2093 4.2374 4.2380 7.3011 7.3049 7.7430 7.7441 8.3390 8.3402 8.3926 8.3940 k = 0.5000 0.4392 0.0000 ( 4222 PWs) bands (ev): -10.7013 -10.7013 -9.8116 -9.8116 -9.7105 -9.7105 -9.0643 -9.0643 -8.9649 -8.9649 -8.8464 -8.8464 -7.8735 -7.8735 -7.4289 -7.4289 -7.3992 -7.3992 -2.8076 -2.8076 -0.9599 -0.9599 0.1355 0.1355 0.1491 0.1491 0.5707 0.5707 2.4416 2.4416 2.5790 2.5790 2.8787 2.8787 2.8902 2.8902 3.8037 3.8037 4.2085 4.2085 4.2376 4.2376 7.3024 7.3024 7.7440 7.7440 8.3369 8.3369 8.3906 8.3906 k = 0.0000 0.0000 0.7576 ( 4188 PWs) bands (ev): -10.6734 -10.6734 -9.8705 -9.8705 -9.7087 -9.7087 -9.1143 -9.1143 -8.9431 -8.9431 -8.8262 -8.8262 -7.8826 -7.8826 -7.4038 -7.4038 -7.2152 -7.2152 -3.0209 -3.0209 -1.6712 -1.6712 -0.1184 -0.1184 0.2045 0.2045 1.2174 1.2174 2.1845 2.1845 2.3572 2.3572 3.0298 3.0298 3.3800 3.3800 4.0122 4.0122 4.1821 4.1821 4.7533 4.7533 7.3665 7.3665 7.9539 7.9539 8.7332 8.7332 9.0923 9.0923 k = 0.0139 0.0122 0.7576 ( 4184 PWs) bands (ev): -10.6746 -10.6723 -9.8714 -9.8695 -9.7163 -9.7010 -9.1201 -9.1085 -8.9438 -8.9426 -8.8269 -8.8254 -7.8827 -7.8824 -7.4040 -7.4038 -7.2165 -7.2139 -3.0212 -3.0201 -1.6703 -1.6702 -0.1195 -0.1189 0.1997 0.2000 1.2222 1.2226 2.1843 2.1878 2.3558 2.3575 3.0287 3.0287 3.3796 3.3817 4.0126 4.0131 4.1805 4.1831 4.7504 4.7512 7.3687 7.3692 7.9527 7.9545 8.7319 8.7328 9.0915 9.0916 k = 0.0278 0.0244 0.7576 ( 4190 PWs) bands (ev): -10.6758 -10.6711 -9.8722 -9.8684 -9.7240 -9.6934 -9.1260 -9.1029 -8.9445 -8.9421 -8.8276 -8.8245 -7.8827 -7.8820 -7.4043 -7.4040 -7.2179 -7.2128 -3.0211 -3.0189 -1.6675 -1.6672 -0.1224 -0.1210 0.1861 0.1865 1.2366 1.2374 2.1872 2.1942 2.3533 2.3567 3.0255 3.0255 3.3805 3.3845 4.0141 4.0151 4.1782 4.1833 4.7424 4.7441 7.3756 7.3768 7.9508 7.9546 8.7290 8.7308 9.0892 9.0895 k = 0.0417 0.0366 0.7576 ( 4190 PWs) bands (ev): -10.6769 -10.6699 -9.8728 -9.8672 -9.7315 -9.6858 -9.1319 -9.0974 -8.9452 -8.9417 -8.8281 -8.8236 -7.8826 -7.8815 -7.4048 -7.4043 -7.2194 -7.2117 -3.0205 -3.0172 -1.6629 -1.6624 -0.1267 -0.1247 0.1645 0.1651 1.2597 1.2609 2.1930 2.2035 2.3496 2.3548 3.0201 3.0203 3.3826 3.3884 4.0169 4.0183 4.1751 4.1828 4.7297 4.7322 7.3872 7.3889 7.9485 7.9540 8.7245 8.7271 9.0855 9.0858 k = 0.0556 0.0488 0.7576 ( 4190 PWs) bands (ev): -10.6780 -10.6688 -9.8735 -9.8659 -9.7389 -9.6784 -9.1378 -9.0921 -8.9460 -8.9414 -8.8286 -8.8226 -7.8824 -7.8810 -7.4055 -7.4048 -7.2209 -7.2108 -3.0196 -3.0152 -1.6565 -1.6559 -0.1325 -0.1299 0.1363 0.1371 1.2902 1.2918 2.2015 2.2156 2.3447 2.3518 3.0126 3.0134 3.3859 3.3933 4.0209 4.0228 4.1715 4.1817 4.7124 4.7158 7.4029 7.4053 7.9457 7.9530 8.7185 8.7220 9.0804 9.0807 k = 0.0694 0.0610 0.7576 ( 4194 PWs) bands (ev): -10.6791 -10.6677 -9.8740 -9.8644 -9.7463 -9.6711 -9.1436 -9.0871 -8.9468 -8.9413 -8.8291 -8.8215 -7.8821 -7.8803 -7.4062 -7.4054 -7.2225 -7.2099 -3.0183 -3.0128 -1.6485 -1.6477 -0.1396 -0.1363 0.1030 0.1039 1.3264 1.3286 2.2126 2.2303 2.3387 2.3476 3.0032 3.0049 3.3903 3.3989 4.0262 4.0286 4.1673 4.1800 4.6911 4.6952 7.4225 7.4254 7.9425 7.9515 8.7111 8.7154 9.0739 9.0741 k = 0.0833 0.0732 0.7576 ( 4198 PWs) bands (ev): -10.6801 -10.6666 -9.8744 -9.8628 -9.7534 -9.6641 -9.1493 -9.0822 -8.9476 -8.9412 -8.8295 -8.8204 -7.8817 -7.8796 -7.4071 -7.4061 -7.2241 -7.2092 -3.0166 -3.0102 -1.6390 -1.6380 -0.1477 -0.1437 0.0661 0.0672 1.3668 1.3697 2.2258 2.2473 2.3316 2.3424 2.9920 2.9949 3.3955 3.4051 4.0329 4.0357 4.1626 4.1778 4.6660 4.6709 7.4452 7.4488 7.9392 7.9498 8.7025 8.7077 9.0662 9.0662 k = 0.0972 0.0854 0.7576 ( 4198 PWs) bands (ev): -10.6810 -10.6656 -9.8748 -9.8610 -9.7604 -9.6573 -9.1549 -9.0776 -8.9484 -8.9412 -8.8298 -8.8193 -7.8812 -7.8788 -7.4080 -7.4069 -7.2256 -7.2085 -3.0147 -3.0073 -1.6283 -1.6271 -0.1565 -0.1518 0.0270 0.0283 1.4102 1.4138 2.2408 2.2661 2.3234 2.3362 2.9792 2.9839 3.4014 3.4117 4.0410 4.0443 4.1575 4.1751 4.6378 4.6435 7.4704 7.4747 7.9357 7.9478 8.6930 8.6989 9.0571 9.0573 k = 0.1111 0.0976 0.7576 ( 4198 PWs) bands (ev): -10.6819 -10.6646 -9.8752 -9.8591 -9.7671 -9.6508 -9.1602 -9.0733 -8.9491 -8.9414 -8.8301 -8.8182 -7.8807 -7.8780 -7.4090 -7.4078 -7.2271 -7.2080 -3.0126 -3.0043 -1.6165 -1.6152 -0.1659 -0.1605 -0.0130 -0.0116 1.4552 1.4597 2.2569 2.2861 2.3143 2.3293 2.9650 2.9718 3.4077 3.4185 4.0505 4.0543 4.1522 4.1720 4.6069 4.6134 7.4975 7.5024 7.9322 7.9457 8.6827 8.6893 9.0468 9.0474 k = 0.1250 0.1098 0.7576 ( 4206 PWs) bands (ev): -10.6828 -10.6637 -9.8755 -9.8570 -9.7737 -9.6447 -9.1653 -9.0693 -8.9498 -8.9416 -8.8303 -8.8171 -7.8801 -7.8772 -7.4100 -7.4087 -7.2286 -7.2075 -3.0104 -3.0013 -1.6040 -1.6025 -0.1755 -0.1695 -0.0528 -0.0513 1.5007 1.5062 2.2729 2.3045 2.3053 2.3243 2.9497 2.9591 3.4144 3.4254 4.0616 4.0658 4.1468 4.1687 4.5740 4.5812 7.5256 7.5312 7.9289 7.9437 8.6719 8.6793 9.0358 9.0368 k = 0.1389 0.1220 0.7576 ( 4222 PWs) bands (ev): -10.6835 -10.6629 -9.8757 -9.8548 -9.7800 -9.6390 -9.1700 -9.0656 -8.9505 -8.9418 -8.8305 -8.8160 -7.8795 -7.8764 -7.4110 -7.4096 -7.2300 -7.2071 -3.0082 -2.9983 -1.5912 -1.5895 -0.1851 -0.1784 -0.0913 -0.0898 1.5456 1.5525 2.2814 2.3032 2.3062 2.3357 2.9336 2.9460 3.4211 3.4321 4.0742 4.0789 4.1414 4.1654 4.5396 4.5475 7.5539 7.5602 7.9257 7.9417 8.6610 8.6691 9.0242 9.0257 k = 0.1528 0.1342 0.7576 ( 4232 PWs) bands (ev): -10.6842 -10.6622 -9.8760 -9.8524 -9.7860 -9.6338 -9.1743 -9.0623 -8.9511 -8.9421 -8.8306 -8.8150 -7.8790 -7.8756 -7.4120 -7.4105 -7.2312 -7.2068 -3.0060 -2.9953 -1.5784 -1.5765 -0.1946 -0.1869 -0.1277 -0.1263 1.5890 1.5974 2.2738 2.2975 2.3163 2.3570 2.9171 2.9328 3.4277 3.4386 4.0881 4.0935 4.1366 4.1621 4.5042 4.5128 7.5816 7.5886 7.9229 7.9400 8.6503 8.6591 9.0124 9.0144 k = 0.1667 0.1464 0.7576 ( 4236 PWs) bands (ev): -10.6848 -10.6615 -9.8761 -9.8499 -9.7917 -9.6292 -9.1783 -9.0593 -8.9517 -8.9425 -8.8308 -8.8141 -7.8784 -7.8749 -7.4129 -7.4113 -7.2324 -7.2066 -3.0039 -2.9926 -1.5659 -1.5639 -0.2038 -0.1950 -0.1606 -0.1600 1.6299 1.6400 2.2615 2.2871 2.3330 2.3790 2.9006 2.9200 3.4339 3.4446 4.1027 4.1094 4.1333 4.1592 4.4684 4.4778 7.6078 7.6155 7.9204 7.9384 8.6401 8.6495 9.0008 9.0034 k = 0.1806 0.1586 0.7576 ( 4228 PWs) bands (ev): -10.6854 -10.6609 -9.8763 -9.8473 -9.7970 -9.6251 -9.1817 -9.0568 -8.9521 -8.9428 -8.8309 -8.8133 -7.8779 -7.8742 -7.4138 -7.4120 -7.2334 -7.2064 -3.0020 -2.9902 -1.5544 -1.5521 -0.2136 -0.2022 -0.1899 -0.1886 1.6674 1.6794 2.2483 2.2763 2.3493 2.4002 2.8845 2.9079 3.4396 3.4500 4.1137 4.1262 4.1356 4.1574 4.4329 4.4431 7.6318 7.6400 7.9182 7.9371 8.6308 8.6407 8.9900 8.9930 k = 0.1944 0.1708 0.7576 ( 4226 PWs) bands (ev): -10.6858 -10.6605 -9.8764 -9.8446 -9.8019 -9.6218 -9.1845 -9.0547 -8.9525 -8.9431 -8.8309 -8.8126 -7.8775 -7.8736 -7.4145 -7.4127 -7.2343 -7.2062 -3.0003 -2.9880 -1.5441 -1.5417 -0.2270 -0.2156 -0.2083 -0.2075 1.7003 1.7144 2.2352 2.2659 2.3640 2.4195 2.8697 2.8969 3.4445 3.4546 4.1156 4.1402 4.1493 4.1600 4.3981 4.4092 7.6527 7.6614 7.9164 7.9361 8.6227 8.6331 8.9802 8.9838 k = 0.2083 0.1830 0.7576 ( 4232 PWs) bands (ev): -10.6861 -10.6601 -9.8765 -9.8420 -9.8063 -9.6191 -9.1868 -9.0530 -8.9528 -8.9434 -8.8310 -8.8121 -7.8772 -7.8732 -7.4151 -7.4132 -7.2350 -7.2061 -2.9990 -2.9863 -1.5356 -1.5331 -0.2437 -0.2363 -0.2169 -0.2133 1.7276 1.7439 2.2232 2.2565 2.3764 2.4361 2.8568 2.8877 3.4485 3.4583 4.1138 4.1447 4.1688 4.1737 4.3649 4.3772 7.6698 7.6789 7.9151 7.9353 8.6161 8.6268 8.9721 8.9760 k = 0.2222 0.1952 0.7576 ( 4236 PWs) bands (ev): -10.6864 -10.6598 -9.8765 -9.8396 -9.8099 -9.6172 -9.1885 -9.0518 -8.9531 -8.9436 -8.8310 -8.8117 -7.8769 -7.8728 -7.4155 -7.4136 -7.2354 -7.2060 -2.9980 -2.9851 -1.5292 -1.5266 -0.2578 -0.2514 -0.2220 -0.2170 1.7483 1.7663 2.2134 2.2489 2.3858 2.4490 2.8466 2.8806 3.4515 3.4611 4.1119 4.1447 4.1897 4.1923 4.3345 4.3484 7.6825 7.6919 7.9141 7.9348 8.6112 8.6222 8.9659 8.9702 k = 0.2361 0.2074 0.7576 ( 4236 PWs) bands (ev): -10.6865 -10.6597 -9.8766 -9.8379 -9.8124 -9.6160 -9.1895 -9.0510 -8.9532 -8.9437 -8.8311 -8.8114 -7.8767 -7.8726 -7.4158 -7.4139 -7.2357 -7.2060 -2.9974 -2.9843 -1.5252 -1.5226 -0.2666 -0.2607 -0.2248 -0.2193 1.7611 1.7805 2.2069 2.2439 2.3917 2.4571 2.8401 2.8762 3.4534 3.4627 4.1105 4.1441 4.2087 4.2088 4.3099 4.3261 7.6903 7.7000 7.9135 7.9344 8.6082 8.6193 8.9621 8.9665 k = 0.2500 0.2196 0.7576 ( 4236 PWs) bands (ev): -10.6866 -10.6596 -9.8766 -9.8372 -9.8133 -9.6156 -9.1898 -9.0508 -8.9533 -8.9437 -8.8311 -8.8114 -7.8767 -7.8726 -7.4159 -7.4140 -7.2358 -7.2060 -2.9971 -2.9840 -1.5239 -1.5212 -0.2697 -0.2638 -0.2257 -0.2200 1.7655 1.7854 2.2046 2.2422 2.3937 2.4599 2.8379 2.8747 3.4540 3.4633 4.1101 4.1439 4.2161 4.2176 4.2990 4.3169 7.6930 7.7027 7.9133 7.9343 8.6071 8.6184 8.9608 8.9653 Writing output data file InPS4.save init_run : 3.97s CPU 12.24s WALL ( 1 calls) electrons : 638.31s CPU 646.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.29s CPU 1.57s WALL ( 1 calls) Called by electrons: c_bands : 638.28s CPU 646.24s WALL ( 1 calls) v_of_rho : 0.10s CPU 1.03s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.09s CPU 0.62s WALL ( 1 calls) newd : 0.39s CPU 0.70s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.09s WALL ( 294 calls) cegterg : 589.28s CPU 593.11s WALL ( 657 calls) Called by sum_band: Called by *egterg: h_psi : 273.94s CPU 281.41s WALL ( 11795 calls) s_psi : 42.80s CPU 42.98s WALL ( 11795 calls) g_psi : 0.58s CPU 0.60s WALL ( 10844 calls) cdiaghg : 199.40s CPU 197.30s WALL ( 11138 calls) cegterg:over : 46.54s CPU 43.78s WALL ( 10844 calls) cegterg:upda : 8.79s CPU 11.89s WALL ( 10844 calls) cegterg:last : 8.02s CPU 8.73s WALL ( 1833 calls) Called by h_psi: h_psi:vloc : 195.45s CPU 201.36s WALL ( 11795 calls) h_psi:vnl : 78.29s CPU 79.47s WALL ( 11795 calls) add_vuspsi : 29.35s CPU 33.32s WALL ( 11795 calls) General routines calbec : 48.91s CPU 46.07s WALL ( 11795 calls) fft : 0.45s CPU 1.33s WALL ( 19 calls) ffts : 0.02s CPU 0.09s WALL ( 4 calls) fftw : 186.51s CPU 190.07s WALL ( 1072280 calls) interpolate : 0.04s CPU 0.11s WALL ( 4 calls) davcio : 0.04s CPU 2.43s WALL ( 588 calls) Parallel routines fft_scatter : 128.59s CPU 130.51s WALL ( 1072303 calls) PWSCF : 11m36.93s CPU 13m 7.98s WALL This run was terminated on: 0:52:26 19Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=