Program PWSCF v.5.1.1 starts on 27Jul2015 at 19:36: 7 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./FeCl3.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 75 58 16 2277 1542 233 Max 76 59 17 2281 1557 236 Sum 2405 1857 527 72929 49571 7483 bravais-lattice index = 14 lattice parameter (alat) = 12.6423 a.u. unit-cell volume = 1177.2009 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.642267 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.608761 celldm(5)= 0.608761 celldm(6)= 0.608761 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.608761 0.793353 0.000000 ) a(3) = ( 0.608761 0.300208 0.734360 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.767327 -0.515284 ) b(2) = ( 0.000000 1.260472 -0.515284 ) b(3) = ( 0.000000 0.000000 1.361730 ) PseudoPot. # 1 for Cl read from file: /home/autes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 Fe read from file: /home/autes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 Cl 7.00 35.45300 Cl( 1.00) Fe 8.00 55.84500 Fe( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 233 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042918 k( 2) = ( 0.0156250 -0.0119895 -0.0080513), wk = 0.0042918 k( 3) = ( 0.0312500 -0.0239790 -0.0161026), wk = 0.0042918 k( 4) = ( 0.0468750 -0.0359685 -0.0241539), wk = 0.0042918 k( 5) = ( 0.0625000 -0.0479579 -0.0322052), wk = 0.0042918 k( 6) = ( 0.0781250 -0.0599474 -0.0402565), wk = 0.0042918 k( 7) = ( 0.0937500 -0.0719369 -0.0483078), wk = 0.0042918 k( 8) = ( 0.1093750 -0.0839264 -0.0563592), wk = 0.0042918 k( 9) = ( 0.1250000 -0.0959159 -0.0644105), wk = 0.0042918 k( 10) = ( 0.1406250 -0.1079054 -0.0724618), wk = 0.0042918 k( 11) = ( 0.1562500 -0.1198948 -0.0805131), wk = 0.0042918 k( 12) = ( 0.1718750 -0.1318843 -0.0885644), wk = 0.0042918 k( 13) = ( 0.1875000 -0.1438738 -0.0966157), wk = 0.0042918 k( 14) = ( 0.2031250 -0.1558633 -0.1046670), wk = 0.0042918 k( 15) = ( 0.2187500 -0.1678528 -0.1127183), wk = 0.0042918 k( 16) = ( 0.2343750 -0.1798423 -0.1207696), wk = 0.0042918 k( 17) = ( 0.2500000 -0.1918317 -0.1288209), wk = 0.0042918 k( 18) = ( 0.2656250 -0.2038212 -0.1368722), wk = 0.0042918 k( 19) = ( 0.2812500 -0.2158107 -0.1449235), wk = 0.0042918 k( 20) = ( 0.2968750 -0.2278002 -0.1529749), wk = 0.0042918 k( 21) = ( 0.3125000 -0.2397897 -0.1610262), wk = 0.0042918 k( 22) = ( 0.3281250 -0.2517792 -0.1690775), wk = 0.0042918 k( 23) = ( 0.3437500 -0.2637687 -0.1771288), wk = 0.0042918 k( 24) = ( 0.3593750 -0.2757581 -0.1851801), wk = 0.0042918 k( 25) = ( 0.3750000 -0.2877476 -0.1932314), wk = 0.0042918 k( 26) = ( 0.3906250 -0.2997371 -0.2012827), wk = 0.0042918 k( 27) = ( 0.4062500 -0.3117266 -0.2093340), wk = 0.0042918 k( 28) = ( 0.4218750 -0.3237161 -0.2173853), wk = 0.0042918 k( 29) = ( 0.4375000 -0.3357056 -0.2254366), wk = 0.0042918 k( 30) = ( 0.4531250 -0.3476950 -0.2334879), wk = 0.0042918 k( 31) = ( 0.4687500 -0.3596845 -0.2415392), wk = 0.0042918 k( 32) = ( 0.4843750 -0.3716740 -0.2495906), wk = 0.0042918 k( 33) = ( 0.5000000 -0.3836635 -0.2576419), wk = 0.0042918 k( 34) = ( 0.5000000 -0.3836635 -0.2576419), wk = 0.0042918 k( 35) = ( 0.5000000 -0.3718215 -0.2752762), wk = 0.0042918 k( 36) = ( 0.5000000 -0.3599796 -0.2929104), wk = 0.0042918 k( 37) = ( 0.5000000 -0.3481376 -0.3105447), wk = 0.0042918 k( 38) = ( 0.5000000 -0.3362956 -0.3281790), wk = 0.0042918 k( 39) = ( 0.5000000 -0.3244536 -0.3458133), wk = 0.0042918 k( 40) = ( 0.5000000 -0.3126117 -0.3634476), wk = 0.0042918 k( 41) = ( 0.5000000 -0.3007697 -0.3810819), wk = 0.0042918 k( 42) = ( 0.5000000 -0.2889277 -0.3987162), wk = 0.0042918 k( 43) = ( 0.5000000 -0.2770857 -0.4163505), wk = 0.0042918 k( 44) = ( 0.5000000 -0.2652438 -0.4339848), wk = 0.0042918 k( 45) = ( 0.5000000 -0.2534018 -0.4516191), wk = 0.0042918 k( 46) = ( 0.5000000 -0.2415598 -0.4692534), wk = 0.0042918 k( 47) = ( 0.5000000 -0.2297179 -0.4868877), wk = 0.0042918 k( 48) = ( 0.5000000 -0.2178759 -0.5045220), wk = 0.0042918 k( 49) = ( 0.5000000 -0.2060339 -0.5221563), wk = 0.0042918 k( 50) = ( 0.5000000 -0.1941920 -0.5397906), wk = 0.0042918 k( 51) = ( 0.5000000 -0.1823500 -0.5574248), wk = 0.0042918 k( 52) = ( 0.5000000 -0.1705080 -0.5750591), wk = 0.0042918 k( 53) = ( 0.5000000 -0.1586660 -0.5926934), wk = 0.0042918 k( 54) = ( 0.5000000 -0.1468241 -0.6103277), wk = 0.0042918 k( 55) = ( 0.5000000 -0.1349821 -0.6279620), wk = 0.0042918 k( 56) = ( 0.5000000 -0.1231401 -0.6455963), wk = 0.0042918 k( 57) = ( 0.5000000 -0.1112982 -0.6632306), wk = 0.0042918 k( 58) = ( 0.5000000 -0.0994562 -0.6808649), wk = 0.0042918 k( 59) = ( 0.7745232 0.0359237 -0.3497025), wk = 0.0042918 k( 60) = ( 0.7653724 0.0429453 -0.3325264), wk = 0.0042918 k( 61) = ( 0.7562216 0.0499669 -0.3153503), wk = 0.0042918 k( 62) = ( 0.7470709 0.0569886 -0.2981742), wk = 0.0042918 k( 63) = ( 0.7379201 0.0640102 -0.2809980), wk = 0.0042918 k( 64) = ( 0.7287693 0.0710318 -0.2638219), wk = 0.0042918 k( 65) = ( 0.7196185 0.0780535 -0.2466458), wk = 0.0042918 k( 66) = ( 0.7104678 0.0850751 -0.2294697), wk = 0.0042918 k( 67) = ( 0.7013170 0.0920967 -0.2122936), wk = 0.0042918 k( 68) = ( 0.6921662 0.0991184 -0.1951174), wk = 0.0042918 k( 69) = ( 0.6830154 0.1061400 -0.1779413), wk = 0.0042918 k( 70) = ( 0.6738647 0.1131617 -0.1607652), wk = 0.0042918 k( 71) = ( 0.6647139 0.1201833 -0.1435891), wk = 0.0042918 k( 72) = ( 0.6555631 0.1272049 -0.1264129), wk = 0.0042918 k( 73) = ( 0.6464124 0.1342266 -0.1092368), wk = 0.0042918 k( 74) = ( 0.6372616 0.1412482 -0.0920607), wk = 0.0042918 k( 75) = ( 0.6281108 0.1482698 -0.0748846), wk = 0.0042918 k( 76) = ( 0.6189600 0.1552915 -0.0577084), wk = 0.0042918 k( 77) = ( 0.6098093 0.1623131 -0.0405323), wk = 0.0042918 k( 78) = ( 0.6006585 0.1693347 -0.0233562), wk = 0.0042918 k( 79) = ( 0.5915077 0.1763564 -0.0061801), wk = 0.0042918 k( 80) = ( 0.5823569 0.1833780 0.0109961), wk = 0.0042918 k( 81) = ( 0.5732062 0.1903996 0.0281722), wk = 0.0042918 k( 82) = ( 0.5640554 0.1974213 0.0453483), wk = 0.0042918 k( 83) = ( 0.5549046 0.2044429 0.0625244), wk = 0.0042918 k( 84) = ( 0.5457539 0.2114645 0.0797006), wk = 0.0042918 k( 85) = ( 0.5366031 0.2184862 0.0968767), wk = 0.0042918 k( 86) = ( 0.5274523 0.2255078 0.1140528), wk = 0.0042918 k( 87) = ( 0.5183015 0.2325294 0.1312289), wk = 0.0042918 k( 88) = ( 0.5091508 0.2395511 0.1484051), wk = 0.0042918 k( 89) = ( 0.5000000 0.2465727 0.1655812), wk = 0.0042918 k( 90) = ( 0.5000000 0.2465727 0.1655812), wk = 0.0042918 k( 91) = ( 0.4821429 0.2377665 0.1596676), wk = 0.0042918 k( 92) = ( 0.4642857 0.2289604 0.1537539), wk = 0.0042918 k( 93) = ( 0.4464286 0.2201542 0.1478403), wk = 0.0042918 k( 94) = ( 0.4285714 0.2113480 0.1419267), wk = 0.0042918 k( 95) = ( 0.4107143 0.2025419 0.1360131), wk = 0.0042918 k( 96) = ( 0.3928571 0.1937357 0.1300995), wk = 0.0042918 k( 97) = ( 0.3750000 0.1849295 0.1241859), wk = 0.0042918 k( 98) = ( 0.3571429 0.1761234 0.1182723), wk = 0.0042918 k( 99) = ( 0.3392857 0.1673172 0.1123587), wk = 0.0042918 k( 100) = ( 0.3214286 0.1585110 0.1064450), wk = 0.0042918 k( 101) = ( 0.3035714 0.1497049 0.1005314), wk = 0.0042918 k( 102) = ( 0.2857143 0.1408987 0.0946178), wk = 0.0042918 k( 103) = ( 0.2678571 0.1320925 0.0887042), wk = 0.0042918 k( 104) = ( 0.2500000 0.1232864 0.0827906), wk = 0.0042918 k( 105) = ( 0.2321429 0.1144802 0.0768770), wk = 0.0042918 k( 106) = ( 0.2142857 0.1056740 0.0709634), wk = 0.0042918 k( 107) = ( 0.1964286 0.0968679 0.0650497), wk = 0.0042918 k( 108) = ( 0.1785714 0.0880617 0.0591361), wk = 0.0042918 k( 109) = ( 0.1607143 0.0792555 0.0532225), wk = 0.0042918 k( 110) = ( 0.1428571 0.0704493 0.0473089), wk = 0.0042918 k( 111) = ( 0.1250000 0.0616432 0.0413953), wk = 0.0042918 k( 112) = ( 0.1071429 0.0528370 0.0354817), wk = 0.0042918 k( 113) = ( 0.0892857 0.0440308 0.0295681), wk = 0.0042918 k( 114) = ( 0.0714286 0.0352247 0.0236545), wk = 0.0042918 k( 115) = ( 0.0535714 0.0264185 0.0177408), wk = 0.0042918 k( 116) = ( 0.0357143 0.0176123 0.0118272), wk = 0.0042918 k( 117) = ( 0.0178571 0.0088062 0.0059136), wk = 0.0042918 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042918 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042918 k( 120) = ( 0.0093010 -0.0071369 -0.0174581), wk = 0.0042918 k( 121) = ( 0.0186020 -0.0142738 -0.0349161), wk = 0.0042918 k( 122) = ( 0.0279029 -0.0214107 -0.0523742), wk = 0.0042918 k( 123) = ( 0.0372039 -0.0285476 -0.0698323), wk = 0.0042918 k( 124) = ( 0.0465049 -0.0356845 -0.0872904), wk = 0.0042918 k( 125) = ( 0.0558059 -0.0428214 -0.1047484), wk = 0.0042918 k( 126) = ( 0.0651069 -0.0499583 -0.1222065), wk = 0.0042918 k( 127) = ( 0.0744079 -0.0570952 -0.1396646), wk = 0.0042918 k( 128) = ( 0.0837089 -0.0642321 -0.1571227), wk = 0.0042918 k( 129) = ( 0.0930099 -0.0713690 -0.1745807), wk = 0.0042918 k( 130) = ( 0.1023108 -0.0785059 -0.1920388), wk = 0.0042918 k( 131) = ( 0.1116118 -0.0856428 -0.2094969), wk = 0.0042918 k( 132) = ( 0.1209128 -0.0927797 -0.2269550), wk = 0.0042918 k( 133) = ( 0.1302138 -0.0999166 -0.2444130), wk = 0.0042918 k( 134) = ( 0.1395148 -0.1070534 -0.2618711), wk = 0.0042918 k( 135) = ( 0.1488158 -0.1141903 -0.2793292), wk = 0.0042918 k( 136) = ( 0.1581167 -0.1213272 -0.2967873), wk = 0.0042918 k( 137) = ( 0.1674177 -0.1284641 -0.3142453), wk = 0.0042918 k( 138) = ( 0.1767187 -0.1356010 -0.3317034), wk = 0.0042918 k( 139) = ( 0.1860197 -0.1427379 -0.3491615), wk = 0.0042918 k( 140) = ( 0.1953207 -0.1498748 -0.3666196), wk = 0.0042918 k( 141) = ( 0.2046217 -0.1570117 -0.3840776), wk = 0.0042918 k( 142) = ( 0.2139226 -0.1641486 -0.4015357), wk = 0.0042918 k( 143) = ( 0.2232236 -0.1712855 -0.4189938), wk = 0.0042918 k( 144) = ( 0.2325246 -0.1784224 -0.4364519), wk = 0.0042918 k( 145) = ( 0.2418256 -0.1855593 -0.4539099), wk = 0.0042918 k( 146) = ( 0.2511266 -0.1926962 -0.4713680), wk = 0.0042918 k( 147) = ( 0.2604276 -0.1998331 -0.4888261), wk = 0.0042918 k( 148) = ( 0.2697286 -0.2069700 -0.5062842), wk = 0.0042918 k( 149) = ( 0.2790296 -0.2141069 -0.5237422), wk = 0.0042918 k( 150) = ( 0.2883305 -0.2212438 -0.5412003), wk = 0.0042918 k( 151) = ( 0.2976315 -0.2283807 -0.5586584), wk = 0.0042918 k( 152) = ( 0.3069325 -0.2355176 -0.5761164), wk = 0.0042918 k( 153) = ( 0.3162335 -0.2426545 -0.5935745), wk = 0.0042918 k( 154) = ( 0.3255345 -0.2497914 -0.6110326), wk = 0.0042918 k( 155) = ( 0.3348354 -0.2569283 -0.6284907), wk = 0.0042918 k( 156) = ( 0.3441364 -0.2640652 -0.6459487), wk = 0.0042918 k( 157) = ( 0.3534374 -0.2712021 -0.6634068), wk = 0.0042918 k( 158) = ( 0.3627384 -0.2783390 -0.6808649), wk = 0.0042918 k( 159) = ( 0.6372616 -0.0317663 -0.5152837), wk = 0.0042918 k( 160) = ( 0.6281108 -0.0132103 -0.5152837), wk = 0.0042918 k( 161) = ( 0.6189600 0.0053456 -0.5152837), wk = 0.0042918 k( 162) = ( 0.6098093 0.0239015 -0.5152837), wk = 0.0042918 k( 163) = ( 0.6006585 0.0424575 -0.5152837), wk = 0.0042918 k( 164) = ( 0.5915077 0.0610134 -0.5152837), wk = 0.0042918 k( 165) = ( 0.5823569 0.0795693 -0.5152837), wk = 0.0042918 k( 166) = ( 0.5732062 0.0981253 -0.5152837), wk = 0.0042918 k( 167) = ( 0.5640554 0.1166812 -0.5152837), wk = 0.0042918 k( 168) = ( 0.5549046 0.1352371 -0.5152837), wk = 0.0042918 k( 169) = ( 0.5457539 0.1537931 -0.5152837), wk = 0.0042918 k( 170) = ( 0.5366031 0.1723490 -0.5152837), wk = 0.0042918 k( 171) = ( 0.5274523 0.1909049 -0.5152837), wk = 0.0042918 k( 172) = ( 0.5183015 0.2094608 -0.5152837), wk = 0.0042918 k( 173) = ( 0.5091508 0.2280168 -0.5152837), wk = 0.0042918 k( 174) = ( 0.5000000 0.2465727 -0.5152837), wk = 0.0042918 k( 175) = ( 0.5000000 0.2465727 -0.5152837), wk = 0.0042918 k( 176) = ( 0.5124783 0.2527263 -0.5002309), wk = 0.0042918 k( 177) = ( 0.5249567 0.2588800 -0.4851780), wk = 0.0042918 k( 178) = ( 0.5374350 0.2650336 -0.4701252), wk = 0.0042918 k( 179) = ( 0.5499133 0.2711872 -0.4550724), wk = 0.0042918 k( 180) = ( 0.5623916 0.2773409 -0.4400196), wk = 0.0042918 k( 181) = ( 0.5748700 0.2834945 -0.4249667), wk = 0.0042918 k( 182) = ( 0.5873483 0.2896481 -0.4099139), wk = 0.0042918 k( 183) = ( 0.5998266 0.2958017 -0.3948610), wk = 0.0042918 k( 184) = ( 0.6123049 0.3019554 -0.3798082), wk = 0.0042918 k( 185) = ( 0.6247833 0.3081090 -0.3647554), wk = 0.0042918 k( 186) = ( 0.6372616 0.3142626 -0.3497025), wk = 0.0042918 k( 187) = ( 0.6372616 0.3142626 -0.3497025), wk = 0.0042918 k( 188) = ( 0.6319823 0.3116592 -0.3298839), wk = 0.0042918 k( 189) = ( 0.6267030 0.3090557 -0.3100653), wk = 0.0042918 k( 190) = ( 0.6214237 0.3064523 -0.2902467), wk = 0.0042918 k( 191) = ( 0.6161444 0.3038488 -0.2704281), wk = 0.0042918 k( 192) = ( 0.6108651 0.3012453 -0.2506095), wk = 0.0042918 k( 193) = ( 0.6055858 0.2986419 -0.2307909), wk = 0.0042918 k( 194) = ( 0.6003065 0.2960384 -0.2109723), wk = 0.0042918 k( 195) = ( 0.5950273 0.2934350 -0.1911537), wk = 0.0042918 k( 196) = ( 0.5897480 0.2908315 -0.1713351), wk = 0.0042918 k( 197) = ( 0.5844687 0.2882281 -0.1515165), wk = 0.0042918 k( 198) = ( 0.5791894 0.2856246 -0.1316979), wk = 0.0042918 k( 199) = ( 0.5739101 0.2830211 -0.1118793), wk = 0.0042918 k( 200) = ( 0.5686308 0.2804177 -0.0920607), wk = 0.0042918 k( 201) = ( 0.5633515 0.2778142 -0.0722421), wk = 0.0042918 k( 202) = ( 0.5580722 0.2752108 -0.0524235), wk = 0.0042918 k( 203) = ( 0.5527929 0.2726073 -0.0326049), wk = 0.0042918 k( 204) = ( 0.5475136 0.2700038 -0.0127863), wk = 0.0042918 k( 205) = ( 0.5422343 0.2674004 0.0070323), wk = 0.0042918 k( 206) = ( 0.5369550 0.2647969 0.0268509), wk = 0.0042918 k( 207) = ( 0.5316758 0.2621935 0.0466696), wk = 0.0042918 k( 208) = ( 0.5263965 0.2595900 0.0664882), wk = 0.0042918 k( 209) = ( 0.5211172 0.2569865 0.0863067), wk = 0.0042918 k( 210) = ( 0.5158379 0.2543831 0.1061254), wk = 0.0042918 k( 211) = ( 0.5105586 0.2517796 0.1259440), wk = 0.0042918 k( 212) = ( 0.5052793 0.2491762 0.1457626), wk = 0.0042918 k( 213) = ( 0.5000000 0.2465727 0.1655812), wk = 0.0042918 k( 214) = ( 0.5000000 -0.3836635 -0.2576419), wk = 0.0042918 k( 215) = ( 0.5144486 -0.3706860 -0.2489271), wk = 0.0042918 k( 216) = ( 0.5288972 -0.3577085 -0.2402123), wk = 0.0042918 k( 217) = ( 0.5433458 -0.3447310 -0.2314975), wk = 0.0042918 k( 218) = ( 0.5577943 -0.3317534 -0.2227827), wk = 0.0042918 k( 219) = ( 0.5722429 -0.3187759 -0.2140679), wk = 0.0042918 k( 220) = ( 0.5866915 -0.3057984 -0.2053531), wk = 0.0042918 k( 221) = ( 0.6011401 -0.2928209 -0.1966383), wk = 0.0042918 k( 222) = ( 0.6155887 -0.2798434 -0.1879235), wk = 0.0042918 k( 223) = ( 0.6300373 -0.2668659 -0.1792087), wk = 0.0042918 k( 224) = ( 0.6444859 -0.2538884 -0.1704939), wk = 0.0042918 k( 225) = ( 0.6589345 -0.2409109 -0.1617791), wk = 0.0042918 k( 226) = ( 0.6733831 -0.2279334 -0.1530643), wk = 0.0042918 k( 227) = ( 0.6878317 -0.2149558 -0.1443495), wk = 0.0042918 k( 228) = ( 0.7022802 -0.2019783 -0.1356347), wk = 0.0042918 k( 229) = ( 0.7167288 -0.1890008 -0.1269199), wk = 0.0042918 k( 230) = ( 0.7311774 -0.1760233 -0.1182051), wk = 0.0042918 k( 231) = ( 0.7456260 -0.1630458 -0.1094903), wk = 0.0042918 k( 232) = ( 0.7600746 -0.1500683 -0.1007755), wk = 0.0042918 k( 233) = ( 0.7745232 -0.1370908 -0.0920607), wk = 0.0042918 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042918 k( 2) = ( 0.0156250 0.0000000 0.0000000), wk = 0.0042918 k( 3) = ( 0.0312500 0.0000000 0.0000000), wk = 0.0042918 k( 4) = ( 0.0468750 0.0000000 0.0000000), wk = 0.0042918 k( 5) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0042918 k( 6) = ( 0.0781250 0.0000000 0.0000000), wk = 0.0042918 k( 7) = ( 0.0937500 0.0000000 0.0000000), wk = 0.0042918 k( 8) = ( 0.1093750 0.0000000 0.0000000), wk = 0.0042918 k( 9) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0042918 k( 10) = ( 0.1406250 0.0000000 -0.0000000), wk = 0.0042918 k( 11) = ( 0.1562500 0.0000000 0.0000000), wk = 0.0042918 k( 12) = ( 0.1718750 0.0000000 0.0000000), wk = 0.0042918 k( 13) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0042918 k( 14) = ( 0.2031250 0.0000000 0.0000000), wk = 0.0042918 k( 15) = ( 0.2187500 0.0000000 0.0000000), wk = 0.0042918 k( 16) = ( 0.2343750 -0.0000000 -0.0000000), wk = 0.0042918 k( 17) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0042918 k( 18) = ( 0.2656250 0.0000000 0.0000000), wk = 0.0042918 k( 19) = ( 0.2812500 0.0000000 -0.0000000), wk = 0.0042918 k( 20) = ( 0.2968750 0.0000000 0.0000000), wk = 0.0042918 k( 21) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0042918 k( 22) = ( 0.3281250 0.0000000 -0.0000000), wk = 0.0042918 k( 23) = ( 0.3437500 0.0000000 0.0000000), wk = 0.0042918 k( 24) = ( 0.3593750 0.0000000 0.0000000), wk = 0.0042918 k( 25) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0042918 k( 26) = ( 0.3906250 0.0000000 0.0000000), wk = 0.0042918 k( 27) = ( 0.4062500 0.0000000 0.0000000), wk = 0.0042918 k( 28) = ( 0.4218750 0.0000000 0.0000000), wk = 0.0042918 k( 29) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0042918 k( 30) = ( 0.4531250 0.0000000 0.0000000), wk = 0.0042918 k( 31) = ( 0.4687500 -0.0000000 -0.0000000), wk = 0.0042918 k( 32) = ( 0.4843750 0.0000000 0.0000000), wk = 0.0042918 k( 33) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0042918 k( 34) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0042918 k( 35) = ( 0.5000000 0.0093949 -0.0093949), wk = 0.0042918 k( 36) = ( 0.5000000 0.0187897 -0.0187897), wk = 0.0042918 k( 37) = ( 0.5000000 0.0281846 -0.0281846), wk = 0.0042918 k( 38) = ( 0.5000000 0.0375795 -0.0375795), wk = 0.0042918 k( 39) = ( 0.5000000 0.0469743 -0.0469743), wk = 0.0042918 k( 40) = ( 0.5000000 0.0563692 -0.0563692), wk = 0.0042918 k( 41) = ( 0.5000000 0.0657641 -0.0657641), wk = 0.0042918 k( 42) = ( 0.5000000 0.0751589 -0.0751589), wk = 0.0042918 k( 43) = ( 0.5000000 0.0845538 -0.0845538), wk = 0.0042918 k( 44) = ( 0.5000000 0.0939487 -0.0939487), wk = 0.0042918 k( 45) = ( 0.5000000 0.1033435 -0.1033435), wk = 0.0042918 k( 46) = ( 0.5000000 0.1127384 -0.1127384), wk = 0.0042918 k( 47) = ( 0.5000000 0.1221333 -0.1221333), wk = 0.0042918 k( 48) = ( 0.5000000 0.1315281 -0.1315281), wk = 0.0042918 k( 49) = ( 0.5000000 0.1409230 -0.1409230), wk = 0.0042918 k( 50) = ( 0.5000000 0.1503179 -0.1503179), wk = 0.0042918 k( 51) = ( 0.5000000 0.1597127 -0.1597127), wk = 0.0042918 k( 52) = ( 0.5000000 0.1691076 -0.1691076), wk = 0.0042918 k( 53) = ( 0.5000000 0.1785025 -0.1785025), wk = 0.0042918 k( 54) = ( 0.5000000 0.1878973 -0.1878973), wk = 0.0042918 k( 55) = ( 0.5000000 0.1972922 -0.1972922), wk = 0.0042918 k( 56) = ( 0.5000000 0.2066871 -0.2066871), wk = 0.0042918 k( 57) = ( 0.5000000 0.2160819 -0.2160819), wk = 0.0042918 k( 58) = ( 0.5000000 0.2254768 -0.2254768), wk = 0.0042918 k( 59) = ( 0.7745232 0.5000000 0.2254768), wk = 0.0042918 k( 60) = ( 0.7653724 0.5000000 0.2346276), wk = 0.0042918 k( 61) = ( 0.7562216 0.5000000 0.2437784), wk = 0.0042918 k( 62) = ( 0.7470709 0.5000000 0.2529291), wk = 0.0042918 k( 63) = ( 0.7379201 0.5000000 0.2620799), wk = 0.0042918 k( 64) = ( 0.7287693 0.5000000 0.2712307), wk = 0.0042918 k( 65) = ( 0.7196185 0.5000000 0.2803815), wk = 0.0042918 k( 66) = ( 0.7104678 0.5000000 0.2895322), wk = 0.0042918 k( 67) = ( 0.7013170 0.5000000 0.2986830), wk = 0.0042918 k( 68) = ( 0.6921662 0.5000000 0.3078338), wk = 0.0042918 k( 69) = ( 0.6830154 0.5000000 0.3169845), wk = 0.0042918 k( 70) = ( 0.6738647 0.5000000 0.3261353), wk = 0.0042918 k( 71) = ( 0.6647139 0.5000000 0.3352861), wk = 0.0042918 k( 72) = ( 0.6555631 0.5000000 0.3444369), wk = 0.0042918 k( 73) = ( 0.6464124 0.5000000 0.3535876), wk = 0.0042918 k( 74) = ( 0.6372616 0.5000000 0.3627384), wk = 0.0042918 k( 75) = ( 0.6281108 0.5000000 0.3718892), wk = 0.0042918 k( 76) = ( 0.6189600 0.5000000 0.3810400), wk = 0.0042918 k( 77) = ( 0.6098093 0.5000000 0.3901907), wk = 0.0042918 k( 78) = ( 0.6006585 0.5000000 0.3993415), wk = 0.0042918 k( 79) = ( 0.5915077 0.5000000 0.4084923), wk = 0.0042918 k( 80) = ( 0.5823569 0.5000000 0.4176431), wk = 0.0042918 k( 81) = ( 0.5732062 0.5000000 0.4267938), wk = 0.0042918 k( 82) = ( 0.5640554 0.5000000 0.4359446), wk = 0.0042918 k( 83) = ( 0.5549046 0.5000000 0.4450954), wk = 0.0042918 k( 84) = ( 0.5457539 0.5000000 0.4542461), wk = 0.0042918 k( 85) = ( 0.5366031 0.5000000 0.4633969), wk = 0.0042918 k( 86) = ( 0.5274523 0.5000000 0.4725477), wk = 0.0042918 k( 87) = ( 0.5183015 0.5000000 0.4816984), wk = 0.0042918 k( 88) = ( 0.5091508 0.5000000 0.4908492), wk = 0.0042918 k( 89) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042918 k( 90) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042918 k( 91) = ( 0.4821429 0.4821429 0.4821429), wk = 0.0042918 k( 92) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0042918 k( 93) = ( 0.4464286 0.4464286 0.4464286), wk = 0.0042918 k( 94) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0042918 k( 95) = ( 0.4107143 0.4107143 0.4107143), wk = 0.0042918 k( 96) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0042918 k( 97) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0042918 k( 98) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0042918 k( 99) = ( 0.3392857 0.3392857 0.3392857), wk = 0.0042918 k( 100) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0042918 k( 101) = ( 0.3035714 0.3035714 0.3035714), wk = 0.0042918 k( 102) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0042918 k( 103) = ( 0.2678571 0.2678571 0.2678571), wk = 0.0042918 k( 104) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0042918 k( 105) = ( 0.2321429 0.2321429 0.2321429), wk = 0.0042918 k( 106) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0042918 k( 107) = ( 0.1964286 0.1964286 0.1964286), wk = 0.0042918 k( 108) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0042918 k( 109) = ( 0.1607143 0.1607143 0.1607143), wk = 0.0042918 k( 110) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0042918 k( 111) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0042918 k( 112) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0042918 k( 113) = ( 0.0892857 0.0892857 0.0892857), wk = 0.0042918 k( 114) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0042918 k( 115) = ( 0.0535714 0.0535714 0.0535714), wk = 0.0042918 k( 116) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0042918 k( 117) = ( 0.0178571 0.0178571 0.0178571), wk = 0.0042918 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042918 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042918 k( 120) = ( 0.0093010 0.0000000 -0.0093010), wk = 0.0042918 k( 121) = ( 0.0186020 0.0000000 -0.0186020), wk = 0.0042918 k( 122) = ( 0.0279029 0.0000000 -0.0279029), wk = 0.0042918 k( 123) = ( 0.0372039 0.0000000 -0.0372039), wk = 0.0042918 k( 124) = ( 0.0465049 0.0000000 -0.0465049), wk = 0.0042918 k( 125) = ( 0.0558059 0.0000000 -0.0558059), wk = 0.0042918 k( 126) = ( 0.0651069 0.0000000 -0.0651069), wk = 0.0042918 k( 127) = ( 0.0744079 0.0000000 -0.0744079), wk = 0.0042918 k( 128) = ( 0.0837089 0.0000000 -0.0837089), wk = 0.0042918 k( 129) = ( 0.0930099 0.0000000 -0.0930098), wk = 0.0042918 k( 130) = ( 0.1023108 0.0000000 -0.1023108), wk = 0.0042918 k( 131) = ( 0.1116118 0.0000000 -0.1116118), wk = 0.0042918 k( 132) = ( 0.1209128 0.0000000 -0.1209128), wk = 0.0042918 k( 133) = ( 0.1302138 0.0000000 -0.1302138), wk = 0.0042918 k( 134) = ( 0.1395148 0.0000000 -0.1395148), wk = 0.0042918 k( 135) = ( 0.1488158 0.0000000 -0.1488158), wk = 0.0042918 k( 136) = ( 0.1581167 0.0000000 -0.1581167), wk = 0.0042918 k( 137) = ( 0.1674177 0.0000000 -0.1674177), wk = 0.0042918 k( 138) = ( 0.1767187 0.0000000 -0.1767187), wk = 0.0042918 k( 139) = ( 0.1860197 0.0000000 -0.1860197), wk = 0.0042918 k( 140) = ( 0.1953207 0.0000000 -0.1953207), wk = 0.0042918 k( 141) = ( 0.2046217 0.0000000 -0.2046217), wk = 0.0042918 k( 142) = ( 0.2139226 0.0000000 -0.2139227), wk = 0.0042918 k( 143) = ( 0.2232236 0.0000000 -0.2232236), wk = 0.0042918 k( 144) = ( 0.2325246 0.0000000 -0.2325246), wk = 0.0042918 k( 145) = ( 0.2418256 0.0000000 -0.2418256), wk = 0.0042918 k( 146) = ( 0.2511266 0.0000000 -0.2511266), wk = 0.0042918 k( 147) = ( 0.2604276 0.0000000 -0.2604276), wk = 0.0042918 k( 148) = ( 0.2697286 0.0000000 -0.2697286), wk = 0.0042918 k( 149) = ( 0.2790296 0.0000000 -0.2790296), wk = 0.0042918 k( 150) = ( 0.2883305 0.0000000 -0.2883305), wk = 0.0042918 k( 151) = ( 0.2976315 0.0000000 -0.2976315), wk = 0.0042918 k( 152) = ( 0.3069325 0.0000000 -0.3069325), wk = 0.0042918 k( 153) = ( 0.3162335 0.0000000 -0.3162335), wk = 0.0042918 k( 154) = ( 0.3255345 0.0000000 -0.3255345), wk = 0.0042918 k( 155) = ( 0.3348354 0.0000000 -0.3348355), wk = 0.0042918 k( 156) = ( 0.3441364 0.0000000 -0.3441364), wk = 0.0042918 k( 157) = ( 0.3534374 0.0000000 -0.3534374), wk = 0.0042918 k( 158) = ( 0.3627384 0.0000000 -0.3627384), wk = 0.0042918 k( 159) = ( 0.6372616 0.3627384 0.0000000), wk = 0.0042918 k( 160) = ( 0.6281108 0.3718892 0.0000000), wk = 0.0042918 k( 161) = ( 0.6189600 0.3810399 0.0000000), wk = 0.0042918 k( 162) = ( 0.6098093 0.3901907 0.0000000), wk = 0.0042918 k( 163) = ( 0.6006585 0.3993415 0.0000000), wk = 0.0042918 k( 164) = ( 0.5915077 0.4084923 0.0000000), wk = 0.0042918 k( 165) = ( 0.5823569 0.4176431 0.0000000), wk = 0.0042918 k( 166) = ( 0.5732062 0.4267938 0.0000000), wk = 0.0042918 k( 167) = ( 0.5640554 0.4359446 0.0000000), wk = 0.0042918 k( 168) = ( 0.5549046 0.4450954 0.0000000), wk = 0.0042918 k( 169) = ( 0.5457539 0.4542461 0.0000000), wk = 0.0042918 k( 170) = ( 0.5366031 0.4633969 0.0000000), wk = 0.0042918 k( 171) = ( 0.5274523 0.4725477 0.0000000), wk = 0.0042918 k( 172) = ( 0.5183015 0.4816984 0.0000000), wk = 0.0042918 k( 173) = ( 0.5091508 0.4908492 0.0000000), wk = 0.0042918 k( 174) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0042918 k( 175) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0042918 k( 176) = ( 0.5124783 0.5124783 0.0204979), wk = 0.0042918 k( 177) = ( 0.5249567 0.5249566 0.0409958), wk = 0.0042918 k( 178) = ( 0.5374350 0.5374350 0.0614937), wk = 0.0042918 k( 179) = ( 0.5499133 0.5499133 0.0819916), wk = 0.0042918 k( 180) = ( 0.5623916 0.5623916 0.1024895), wk = 0.0042918 k( 181) = ( 0.5748700 0.5748700 0.1229874), wk = 0.0042918 k( 182) = ( 0.5873483 0.5873483 0.1434852), wk = 0.0042918 k( 183) = ( 0.5998266 0.5998266 0.1639831), wk = 0.0042918 k( 184) = ( 0.6123049 0.6123049 0.1844810), wk = 0.0042918 k( 185) = ( 0.6247833 0.6247833 0.2049789), wk = 0.0042918 k( 186) = ( 0.6372616 0.6372616 0.2254768), wk = 0.0042918 k( 187) = ( 0.6372616 0.6372616 0.2254768), wk = 0.0042918 k( 188) = ( 0.6319823 0.6319823 0.2360354), wk = 0.0042918 k( 189) = ( 0.6267030 0.6267030 0.2465940), wk = 0.0042918 k( 190) = ( 0.6214237 0.6214237 0.2571526), wk = 0.0042918 k( 191) = ( 0.6161444 0.6161444 0.2677112), wk = 0.0042918 k( 192) = ( 0.6108651 0.6108651 0.2782697), wk = 0.0042918 k( 193) = ( 0.6055858 0.6055858 0.2888283), wk = 0.0042918 k( 194) = ( 0.6003065 0.6003065 0.2993869), wk = 0.0042918 k( 195) = ( 0.5950273 0.5950273 0.3099455), wk = 0.0042918 k( 196) = ( 0.5897480 0.5897480 0.3205041), wk = 0.0042918 k( 197) = ( 0.5844687 0.5844687 0.3310627), wk = 0.0042918 k( 198) = ( 0.5791894 0.5791894 0.3416212), wk = 0.0042918 k( 199) = ( 0.5739101 0.5739101 0.3521798), wk = 0.0042918 k( 200) = ( 0.5686308 0.5686308 0.3627384), wk = 0.0042918 k( 201) = ( 0.5633515 0.5633515 0.3732970), wk = 0.0042918 k( 202) = ( 0.5580722 0.5580722 0.3838556), wk = 0.0042918 k( 203) = ( 0.5527929 0.5527929 0.3944142), wk = 0.0042918 k( 204) = ( 0.5475136 0.5475136 0.4049727), wk = 0.0042918 k( 205) = ( 0.5422343 0.5422343 0.4155313), wk = 0.0042918 k( 206) = ( 0.5369550 0.5369550 0.4260899), wk = 0.0042918 k( 207) = ( 0.5316758 0.5316757 0.4366485), wk = 0.0042918 k( 208) = ( 0.5263965 0.5263965 0.4472071), wk = 0.0042918 k( 209) = ( 0.5211172 0.5211172 0.4577657), wk = 0.0042918 k( 210) = ( 0.5158379 0.5158379 0.4683242), wk = 0.0042918 k( 211) = ( 0.5105586 0.5105586 0.4788828), wk = 0.0042918 k( 212) = ( 0.5052793 0.5052793 0.4894414), wk = 0.0042918 k( 213) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042918 k( 214) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0042918 k( 215) = ( 0.5144486 0.0190915 0.0190915), wk = 0.0042918 k( 216) = ( 0.5288972 0.0381830 0.0381830), wk = 0.0042918 k( 217) = ( 0.5433458 0.0572745 0.0572745), wk = 0.0042918 k( 218) = ( 0.5577943 0.0763660 0.0763660), wk = 0.0042918 k( 219) = ( 0.5722429 0.0954575 0.0954575), wk = 0.0042918 k( 220) = ( 0.5866915 0.1145490 0.1145490), wk = 0.0042918 k( 221) = ( 0.6011401 0.1336405 0.1336405), wk = 0.0042918 k( 222) = ( 0.6155887 0.1527320 0.1527320), wk = 0.0042918 k( 223) = ( 0.6300373 0.1718235 0.1718235), wk = 0.0042918 k( 224) = ( 0.6444859 0.1909149 0.1909149), wk = 0.0042918 k( 225) = ( 0.6589345 0.2100064 0.2100065), wk = 0.0042918 k( 226) = ( 0.6733831 0.2290979 0.2290979), wk = 0.0042918 k( 227) = ( 0.6878317 0.2481894 0.2481894), wk = 0.0042918 k( 228) = ( 0.7022802 0.2672809 0.2672809), wk = 0.0042918 k( 229) = ( 0.7167288 0.2863724 0.2863724), wk = 0.0042918 k( 230) = ( 0.7311774 0.3054639 0.3054639), wk = 0.0042918 k( 231) = ( 0.7456260 0.3245554 0.3245554), wk = 0.0042918 k( 232) = ( 0.7600746 0.3436469 0.3436469), wk = 0.0042918 k( 233) = ( 0.7745232 0.3627384 0.3627384), wk = 0.0042918 Dense grid: 72929 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 49571 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.42 Mb ( 390, 70) NL pseudopotentials 0.81 Mb ( 195, 272) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2280) G-vector shells 0.01 Mb ( 1849) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.67 Mb ( 390, 280) Each subspace H/S matrix 1.20 Mb ( 280, 280) Each matrix 0.58 Mb ( 272, 2, 70) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./FeCl3.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.6 secs Computing kpt #: 2 total cpu time spent up to now is 7.4 secs Computing kpt #: 3 total cpu time spent up to now is 9.1 secs Computing kpt #: 4 total cpu time spent up to now is 10.9 secs Computing kpt #: 5 total cpu time spent up to now is 13.1 secs Computing kpt #: 6 total cpu time spent up to now is 14.8 secs Computing kpt #: 7 total cpu time spent up to now is 16.8 secs Computing kpt #: 8 total cpu time spent up to now is 18.8 secs Computing kpt #: 9 total cpu time spent up to now is 20.8 secs Computing kpt #: 10 total cpu time spent up to now is 22.8 secs Computing kpt #: 11 total cpu time spent up to now is 24.8 secs Computing kpt #: 12 total cpu time spent up to now is 26.8 secs Computing kpt #: 13 total cpu time spent up to now is 28.9 secs Computing kpt #: 14 total cpu time spent up to now is 30.9 secs Computing kpt #: 15 total cpu time spent up to now is 33.0 secs Computing kpt #: 16 total cpu time spent up to now is 35.2 secs Computing kpt #: 17 total cpu time spent up to now is 37.3 secs Computing kpt #: 18 total cpu time spent up to now is 39.5 secs Computing kpt #: 19 total cpu time spent up to now is 41.8 secs Computing kpt #: 20 total cpu time spent up to now is 44.0 secs Computing kpt #: 21 total cpu time spent up to now is 46.3 secs Computing kpt #: 22 total cpu time spent up to now is 48.9 secs Computing kpt #: 23 total cpu time spent up to now is 51.2 secs Computing kpt #: 24 total cpu time spent up to now is 53.5 secs Computing kpt #: 25 total cpu time spent up to now is 55.7 secs Computing kpt #: 26 total cpu time spent up to now is 58.0 secs Computing kpt #: 27 total cpu time spent up to now is 60.3 secs Computing kpt #: 28 total cpu time spent up to now is 62.5 secs Computing kpt #: 29 total cpu time spent up to now is 64.7 secs Computing kpt #: 30 total cpu time spent up to now is 67.0 secs Computing kpt #: 31 total cpu time spent up to now is 69.2 secs Computing kpt #: 32 total cpu time spent up to now is 71.5 secs Computing kpt #: 33 total cpu time spent up to now is 73.7 secs Computing kpt #: 34 total cpu time spent up to now is 75.9 secs Computing kpt #: 35 total cpu time spent up to now is 78.2 secs Computing kpt #: 36 total cpu time spent up to now is 80.4 secs Computing kpt #: 37 total cpu time spent up to now is 82.7 secs Computing kpt #: 38 total cpu time spent up to now is 84.9 secs Computing kpt #: 39 total cpu time spent up to now is 87.2 secs Computing kpt #: 40 total cpu time spent up to now is 89.4 secs Computing kpt #: 41 total cpu time spent up to now is 91.7 secs Computing kpt #: 42 total cpu time spent up to now is 94.0 secs Computing kpt #: 43 total cpu time spent up to now is 96.2 secs Computing kpt #: 44 total cpu time spent up to now is 98.5 secs Computing kpt #: 45 total cpu time spent up to now is 100.8 secs Computing kpt #: 46 total cpu time spent up to now is 103.3 secs Computing kpt #: 47 total cpu time spent up to now is 105.9 secs Computing kpt #: 48 total cpu time spent up to now is 108.5 secs Computing kpt #: 49 total cpu time spent up to now is 111.1 secs Computing kpt #: 50 total cpu time spent up to now is 113.8 secs Computing kpt #: 51 total cpu time spent up to now is 116.5 secs Computing kpt #: 52 total cpu time spent up to now is 119.2 secs Computing kpt #: 53 total cpu time spent up to now is 121.9 secs Computing kpt #: 54 total cpu time spent up to now is 124.6 secs Computing kpt #: 55 total cpu time spent up to now is 127.6 secs Computing kpt #: 56 total cpu time spent up to now is 130.4 secs Computing kpt #: 57 total cpu time spent up to now is 133.1 secs Computing kpt #: 58 total cpu time spent up to now is 135.8 secs Computing kpt #: 59 total cpu time spent up to now is 138.6 secs Computing kpt #: 60 total cpu time spent up to now is 141.4 secs Computing kpt #: 61 total cpu time spent up to now is 144.1 secs Computing kpt #: 62 total cpu time spent up to now is 146.9 secs Computing kpt #: 63 total cpu time spent up to now is 149.6 secs Computing kpt #: 64 total cpu time spent up to now is 152.3 secs Computing kpt #: 65 total cpu time spent up to now is 155.1 secs Computing kpt #: 66 total cpu time spent up to now is 159.5 secs Computing kpt #: 67 total cpu time spent up to now is 163.1 secs Computing kpt #: 68 total cpu time spent up to now is 165.8 secs Computing kpt #: 69 total cpu time spent up to now is 168.5 secs Computing kpt #: 70 total cpu time spent up to now is 171.3 secs Computing kpt #: 71 total cpu time spent up to now is 173.8 secs Computing kpt #: 72 total cpu time spent up to now is 176.5 secs Computing kpt #: 73 total cpu time spent up to now is 179.2 secs Computing kpt #: 74 total cpu time spent up to now is 181.9 secs Computing kpt #: 75 total cpu time spent up to now is 184.7 secs Computing kpt #: 76 total cpu time spent up to now is 187.3 secs Computing kpt #: 77 total cpu time spent up to now is 189.9 secs Computing kpt #: 78 total cpu time spent up to now is 192.7 secs Computing kpt #: 79 total cpu time spent up to now is 195.5 secs Computing kpt #: 80 total cpu time spent up to now is 198.3 secs Computing kpt #: 81 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 202.4 secs Computing kpt #: 82 total cpu time spent up to now is 205.7 secs Computing kpt #: 83 total cpu time spent up to now is 209.4 secs Computing kpt #: 84 total cpu time spent up to now is 212.9 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 217.1 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 221.3 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 225.4 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 229.6 secs Computing kpt #: 89 total cpu time spent up to now is 233.6 secs Computing kpt #: 90 total cpu time spent up to now is 237.6 secs Computing kpt #: 91 total cpu time spent up to now is 241.8 secs Computing kpt #: 92 total cpu time spent up to now is 245.3 secs Computing kpt #: 93 total cpu time spent up to now is 248.4 secs Computing kpt #: 94 total cpu time spent up to now is 251.4 secs Computing kpt #: 95 total cpu time spent up to now is 254.2 secs Computing kpt #: 96 total cpu time spent up to now is 257.0 secs Computing kpt #: 97 total cpu time spent up to now is 259.6 secs Computing kpt #: 98 total cpu time spent up to now is 262.2 secs Computing kpt #: 99 total cpu time spent up to now is 264.7 secs Computing kpt #: 100 total cpu time spent up to now is 267.2 secs Computing kpt #: 101 total cpu time spent up to now is 269.4 secs Computing kpt #: 102 total cpu time spent up to now is 271.7 secs Computing kpt #: 103 total cpu time spent up to now is 273.9 secs Computing kpt #: 104 total cpu time spent up to now is 276.0 secs Computing kpt #: 105 total cpu time spent up to now is 278.2 secs Computing kpt #: 106 total cpu time spent up to now is 280.3 secs Computing kpt #: 107 total cpu time spent up to now is 282.4 secs Computing kpt #: 108 total cpu time spent up to now is 284.5 secs Computing kpt #: 109 total cpu time spent up to now is 286.6 secs Computing kpt #: 110 total cpu time spent up to now is 288.6 secs Computing kpt #: 111 total cpu time spent up to now is 290.6 secs Computing kpt #: 112 total cpu time spent up to now is 292.6 secs Computing kpt #: 113 total cpu time spent up to now is 294.6 secs Computing kpt #: 114 total cpu time spent up to now is 296.6 secs Computing kpt #: 115 total cpu time spent up to now is 298.7 secs Computing kpt #: 116 total cpu time spent up to now is 300.7 secs Computing kpt #: 117 total cpu time spent up to now is 302.7 secs Computing kpt #: 118 total cpu time spent up to now is 304.5 secs Computing kpt #: 119 total cpu time spent up to now is 306.3 secs Computing kpt #: 120 total cpu time spent up to now is 308.1 secs Computing kpt #: 121 total cpu time spent up to now is 309.8 secs Computing kpt #: 122 total cpu time spent up to now is 311.6 secs Computing kpt #: 123 total cpu time spent up to now is 313.4 secs Computing kpt #: 124 total cpu time spent up to now is 315.2 secs Computing kpt #: 125 total cpu time spent up to now is 317.0 secs Computing kpt #: 126 total cpu time spent up to now is 318.8 secs Computing kpt #: 127 total cpu time spent up to now is 320.5 secs Computing kpt #: 128 total cpu time spent up to now is 322.4 secs Computing kpt #: 129 total cpu time spent up to now is 324.4 secs Computing kpt #: 130 total cpu time spent up to now is 326.4 secs Computing kpt #: 131 total cpu time spent up to now is 328.4 secs Computing kpt #: 132 total cpu time spent up to now is 330.4 secs Computing kpt #: 133 total cpu time spent up to now is 332.5 secs Computing kpt #: 134 total cpu time spent up to now is 334.5 secs Computing kpt #: 135 total cpu time spent up to now is 336.6 secs Computing kpt #: 136 total cpu time spent up to now is 338.8 secs Computing kpt #: 137 total cpu time spent up to now is 340.9 secs Computing kpt #: 138 total cpu time spent up to now is 343.5 secs Computing kpt #: 139 total cpu time spent up to now is 346.3 secs Computing kpt #: 140 total cpu time spent up to now is 349.4 secs Computing kpt #: 141 total cpu time spent up to now is 352.5 secs Computing kpt #: 142 total cpu time spent up to now is 355.3 secs Computing kpt #: 143 total cpu time spent up to now is 358.1 secs Computing kpt #: 144 total cpu time spent up to now is 360.9 secs Computing kpt #: 145 total cpu time spent up to now is 363.7 secs Computing kpt #: 146 total cpu time spent up to now is 366.4 secs Computing kpt #: 147 total cpu time spent up to now is 369.2 secs Computing kpt #: 148 total cpu time spent up to now is 372.0 secs Computing kpt #: 149 total cpu time spent up to now is 374.8 secs Computing kpt #: 150 total cpu time spent up to now is 377.5 secs Computing kpt #: 151 total cpu time spent up to now is 380.2 secs Computing kpt #: 152 total cpu time spent up to now is 382.8 secs Computing kpt #: 153 total cpu time spent up to now is 385.5 secs Computing kpt #: 154 total cpu time spent up to now is 388.1 secs Computing kpt #: 155 total cpu time spent up to now is 390.7 secs Computing kpt #: 156 total cpu time spent up to now is 393.2 secs Computing kpt #: 157 total cpu time spent up to now is 395.9 secs Computing kpt #: 158 total cpu time spent up to now is 398.9 secs Computing kpt #: 159 total cpu time spent up to now is 402.0 secs Computing kpt #: 160 total cpu time spent up to now is 405.0 secs Computing kpt #: 161 total cpu time spent up to now is 407.8 secs Computing kpt #: 162 total cpu time spent up to now is 410.6 secs Computing kpt #: 163 total cpu time spent up to now is 413.3 secs Computing kpt #: 164 total cpu time spent up to now is 416.1 secs Computing kpt #: 165 total cpu time spent up to now is 418.8 secs Computing kpt #: 166 total cpu time spent up to now is 421.4 secs Computing kpt #: 167 total cpu time spent up to now is 423.9 secs Computing kpt #: 168 total cpu time spent up to now is 426.5 secs Computing kpt #: 169 total cpu time spent up to now is 429.1 secs Computing kpt #: 170 total cpu time spent up to now is 431.6 secs Computing kpt #: 171 total cpu time spent up to now is 434.1 secs Computing kpt #: 172 total cpu time spent up to now is 436.7 secs Computing kpt #: 173 total cpu time spent up to now is 439.2 secs Computing kpt #: 174 total cpu time spent up to now is 441.7 secs Computing kpt #: 175 total cpu time spent up to now is 444.2 secs Computing kpt #: 176 total cpu time spent up to now is 446.5 secs Computing kpt #: 177 total cpu time spent up to now is 449.0 secs Computing kpt #: 178 total cpu time spent up to now is 451.5 secs Computing kpt #: 179 total cpu time spent up to now is 453.9 secs Computing kpt #: 180 total cpu time spent up to now is 456.9 secs Computing kpt #: 181 total cpu time spent up to now is 461.5 secs Computing kpt #: 182 total cpu time spent up to now is 463.8 secs Computing kpt #: 183 total cpu time spent up to now is 466.1 secs Computing kpt #: 184 total cpu time spent up to now is 468.4 secs Computing kpt #: 185 total cpu time spent up to now is 470.6 secs Computing kpt #: 186 total cpu time spent up to now is 472.9 secs Computing kpt #: 187 total cpu time spent up to now is 475.1 secs Computing kpt #: 188 total cpu time spent up to now is 477.3 secs Computing kpt #: 189 total cpu time spent up to now is 479.6 secs Computing kpt #: 190 total cpu time spent up to now is 481.9 secs Computing kpt #: 191 total cpu time spent up to now is 484.1 secs Computing kpt #: 192 total cpu time spent up to now is 486.4 secs Computing kpt #: 193 total cpu time spent up to now is 488.9 secs Computing kpt #: 194 total cpu time spent up to now is 491.4 secs Computing kpt #: 195 total cpu time spent up to now is 493.9 secs Computing kpt #: 196 total cpu time spent up to now is 496.4 secs Computing kpt #: 197 total cpu time spent up to now is 499.1 secs Computing kpt #: 198 total cpu time spent up to now is 501.8 secs Computing kpt #: 199 total cpu time spent up to now is 504.5 secs Computing kpt #: 200 total cpu time spent up to now is 507.2 secs Computing kpt #: 201 total cpu time spent up to now is 509.9 secs Computing kpt #: 202 total cpu time spent up to now is 512.6 secs Computing kpt #: 203 total cpu time spent up to now is 515.4 secs Computing kpt #: 204 total cpu time spent up to now is 518.1 secs Computing kpt #: 205 total cpu time spent up to now is 521.2 secs Computing kpt #: 206 total cpu time spent up to now is 524.2 secs Computing kpt #: 207 total cpu time spent up to now is 527.4 secs Computing kpt #: 208 total cpu time spent up to now is 531.6 secs Computing kpt #: 209 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 536.0 secs Computing kpt #: 210 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 540.3 secs Computing kpt #: 211 total cpu time spent up to now is 544.3 secs Computing kpt #: 212 total cpu time spent up to now is 548.3 secs Computing kpt #: 213 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 552.5 secs Computing kpt #: 214 total cpu time spent up to now is 554.7 secs Computing kpt #: 215 total cpu time spent up to now is 557.0 secs Computing kpt #: 216 total cpu time spent up to now is 559.2 secs Computing kpt #: 217 total cpu time spent up to now is 561.4 secs Computing kpt #: 218 total cpu time spent up to now is 563.7 secs Computing kpt #: 219 total cpu time spent up to now is 565.9 secs Computing kpt #: 220 total cpu time spent up to now is 568.1 secs Computing kpt #: 221 total cpu time spent up to now is 570.3 secs Computing kpt #: 222 total cpu time spent up to now is 572.5 secs Computing kpt #: 223 total cpu time spent up to now is 574.8 secs Computing kpt #: 224 total cpu time spent up to now is 577.0 secs Computing kpt #: 225 total cpu time spent up to now is 579.2 secs Computing kpt #: 226 total cpu time spent up to now is 581.4 secs Computing kpt #: 227 total cpu time spent up to now is 583.6 secs Computing kpt #: 228 total cpu time spent up to now is 585.8 secs Computing kpt #: 229 total cpu time spent up to now is 588.1 secs Computing kpt #: 230 total cpu time spent up to now is 590.3 secs Computing kpt #: 231 total cpu time spent up to now is 592.5 secs Computing kpt #: 232 total cpu time spent up to now is 594.7 secs Computing kpt #: 233 total cpu time spent up to now is 597.0 secs ethr = 1.72E-11, avg # of iterations = 46.2 total cpu time spent up to now is 597.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6203 PWs) bands (ev): -11.8869 -11.8869 -10.9046 -10.9046 -10.7205 -10.7205 -10.7200 -10.7200 -10.7192 -10.7192 -10.7176 -10.7176 -1.4131 -1.4131 -1.1013 -1.1013 -0.6250 -0.6250 -0.5953 -0.5953 -0.5098 -0.5098 -0.4681 -0.4681 0.0349 0.0349 0.2727 0.2727 0.3352 0.3352 0.3480 0.3480 0.6971 0.6971 0.7032 0.7032 0.8586 0.8586 2.1540 2.1540 2.1569 2.1569 2.3948 2.3948 2.5351 2.5351 2.5378 2.5378 3.1639 3.1639 3.2599 3.2599 3.2802 3.2802 3.3711 3.3711 3.5200 3.5200 3.5937 3.5937 4.8025 4.8025 4.8027 4.8027 4.8996 4.8996 4.9029 4.9029 9.3396 9.3396 k = 0.0156-0.0120-0.0081 ( 6208 PWs) bands (ev): -11.8863 -11.8863 -10.9044 -10.9044 -10.7245 -10.7245 -10.7235 -10.7235 -10.7158 -10.7158 -10.7147 -10.7147 -1.4124 -1.4124 -1.1042 -1.1042 -0.6233 -0.6233 -0.5932 -0.5932 -0.5108 -0.5108 -0.4693 -0.4693 0.0373 0.0373 0.2742 0.2742 0.3348 0.3348 0.3475 0.3475 0.6977 0.6977 0.7043 0.7043 0.8604 0.8604 2.1524 2.1524 2.1553 2.1553 2.3934 2.3934 2.5320 2.5320 2.5371 2.5371 3.1630 3.1630 3.2614 3.2614 3.2817 3.2817 3.3719 3.3719 3.5198 3.5198 3.5935 3.5935 4.8014 4.8014 4.8023 4.8023 4.8996 4.8996 4.9031 4.9031 9.3433 9.3433 k = 0.0312-0.0240-0.0161 ( 6208 PWs) bands (ev): -11.8844 -11.8844 -10.9038 -10.9038 -10.7299 -10.7299 -10.7280 -10.7280 -10.7126 -10.7126 -10.7111 -10.7111 -1.4103 -1.4103 -1.1126 -1.1126 -0.6204 -0.6204 -0.5851 -0.5851 -0.5135 -0.5135 -0.4727 -0.4727 0.0440 0.0440 0.2787 0.2787 0.3334 0.3334 0.3463 0.3463 0.6980 0.6980 0.7092 0.7092 0.8658 0.8658 2.1471 2.1471 2.1509 2.1509 2.3888 2.3888 2.5228 2.5228 2.5357 2.5357 3.1607 3.1607 3.2653 3.2653 3.2860 3.2860 3.3744 3.3744 3.5194 3.5194 3.5930 3.5930 4.7979 4.7979 4.8015 4.8015 4.8985 4.8985 4.9048 4.9048 9.3547 9.3547 k = 0.0469-0.0360-0.0242 ( 6206 PWs) bands (ev): -11.8813 -11.8813 -10.9029 -10.9029 -10.7365 -10.7365 -10.7327 -10.7327 -10.7104 -10.7104 -10.7076 -10.7076 -1.4069 -1.4069 -1.1256 -1.1256 -0.6200 -0.6200 -0.5688 -0.5688 -0.5176 -0.5176 -0.4776 -0.4776 0.0543 0.0543 0.2860 0.2860 0.3308 0.3308 0.3454 0.3454 0.6969 0.6969 0.7187 0.7187 0.8745 0.8745 2.1376 2.1376 2.1444 2.1444 2.3801 2.3801 2.5086 2.5086 2.5337 2.5337 3.1576 3.1576 3.2707 3.2707 3.2930 3.2930 3.3786 3.3786 3.5186 3.5186 3.5923 3.5923 4.7926 4.7926 4.8000 4.8000 4.8960 4.8960 4.9081 4.9081 9.3735 9.3735 k = 0.0625-0.0480-0.0322 ( 6201 PWs) bands (ev): -11.8769 -11.8769 -10.9015 -10.9015 -10.7441 -10.7441 -10.7375 -10.7375 -10.7089 -10.7089 -10.7043 -10.7043 -1.4022 -1.4022 -1.1420 -1.1420 -0.6223 -0.6223 -0.5484 -0.5484 -0.5205 -0.5205 -0.4828 -0.4828 0.0671 0.0671 0.2950 0.2950 0.3273 0.3273 0.3460 0.3460 0.6948 0.6948 0.7322 0.7322 0.8864 0.8864 2.1243 2.1243 2.1354 2.1354 2.3662 2.3662 2.4914 2.4914 2.5312 2.5312 3.1543 3.1543 3.2771 3.2771 3.3020 3.3020 3.3845 3.3845 3.5176 3.5176 3.5914 3.5914 4.7858 4.7858 4.7978 4.7978 4.8926 4.8926 4.9123 4.9123 9.3995 9.3995 k = 0.0781-0.0599-0.0403 ( 6192 PWs) bands (ev): -11.8713 -11.8713 -10.8998 -10.8998 -10.7528 -10.7528 -10.7423 -10.7423 -10.7082 -10.7082 -10.7013 -10.7013 -1.3962 -1.3962 -1.1607 -1.1607 -0.6265 -0.6265 -0.5417 -0.5417 -0.5096 -0.5096 -0.4840 -0.4840 0.0813 0.0813 0.3015 0.3015 0.3248 0.3248 0.3511 0.3511 0.6919 0.6919 0.7490 0.7490 0.9013 0.9013 2.1075 2.1075 2.1233 2.1233 2.3458 2.3458 2.4735 2.4735 2.5282 2.5282 3.1513 3.1513 3.2840 3.2840 3.3121 3.3121 3.3922 3.3922 3.5162 3.5162 3.5904 3.5904 4.7780 4.7780 4.7948 4.7948 4.8888 4.8888 4.9169 4.9169 9.4326 9.4326 k = 0.0938-0.0719-0.0483 ( 6188 PWs) bands (ev): -11.8644 -11.8644 -10.8977 -10.8977 -10.7625 -10.7625 -10.7473 -10.7473 -10.7081 -10.7081 -10.6985 -10.6985 -1.3889 -1.3889 -1.1806 -1.1806 -0.6321 -0.6321 -0.5484 -0.5484 -0.5037 -0.5037 -0.4633 -0.4633 0.0960 0.0960 0.2996 0.2996 0.3253 0.3253 0.3653 0.3653 0.6882 0.6882 0.7690 0.7690 0.9187 0.9187 2.0875 2.0875 2.1078 2.1078 2.3187 2.3187 2.4566 2.4566 2.5248 2.5248 3.1487 3.1487 3.2913 3.2913 3.3225 3.3225 3.4014 3.4014 3.5145 3.5145 3.5893 3.5893 4.7694 4.7694 4.7909 4.7909 4.8848 4.8848 4.9214 4.9214 9.4723 9.4723 k = 0.1094-0.0839-0.0564 ( 6186 PWs) bands (ev): -11.8564 -11.8564 -10.8953 -10.8953 -10.7734 -10.7734 -10.7523 -10.7523 -10.7086 -10.7086 -10.6961 -10.6961 -1.3806 -1.3806 -1.2010 -1.2010 -0.6389 -0.6389 -0.5575 -0.5575 -0.5078 -0.5078 -0.4271 -0.4271 0.1103 0.1103 0.2919 0.2919 0.3256 0.3256 0.3894 0.3894 0.6837 0.6837 0.7915 0.7915 0.9385 0.9385 2.0641 2.0641 2.0882 2.0882 2.2865 2.2865 2.4412 2.4412 2.5211 2.5211 3.1466 3.1466 3.2986 3.2986 3.3329 3.3329 3.4120 3.4120 3.5124 3.5124 3.5882 3.5882 4.7603 4.7603 4.7862 4.7862 4.8810 4.8810 4.9257 4.9257 9.5183 9.5183 k = 0.1250-0.0959-0.0644 ( 6191 PWs) bands (ev): -11.8471 -11.8471 -10.8924 -10.8924 -10.7853 -10.7853 -10.7573 -10.7573 -10.7096 -10.7096 -10.6940 -10.6940 -1.3713 -1.3713 -1.2210 -1.2210 -0.6466 -0.6466 -0.5666 -0.5666 -0.5132 -0.5132 -0.3866 -0.3866 0.1241 0.1241 0.2817 0.2817 0.3245 0.3245 0.4209 0.4209 0.6785 0.6785 0.8164 0.8164 0.9601 0.9601 2.0362 2.0362 2.0642 2.0642 2.2520 2.2520 2.4271 2.4271 2.5168 2.5168 3.1448 3.1448 3.3056 3.3056 3.3433 3.3433 3.4233 3.4233 3.5101 3.5101 3.5874 3.5874 4.7509 4.7509 4.7807 4.7807 4.8777 4.8777 4.9295 4.9295 9.5701 9.5701 k = 0.1406-0.1079-0.0725 ( 6191 PWs) bands (ev): -11.8367 -11.8367 -10.8893 -10.8893 -10.7983 -10.7983 -10.7623 -10.7623 -10.7112 -10.7112 -10.6923 -10.6923 -1.3616 -1.3616 -1.2400 -1.2400 -0.6553 -0.6553 -0.5748 -0.5748 -0.5185 -0.5185 -0.3439 -0.3439 0.1372 0.1372 0.2704 0.2704 0.3227 0.3227 0.4577 0.4577 0.6728 0.6728 0.8432 0.8432 0.9832 0.9832 2.0018 2.0018 2.0368 2.0368 2.2183 2.2183 2.4139 2.4139 2.5118 2.5118 3.1434 3.1434 3.3120 3.3120 3.3536 3.3536 3.4351 3.4351 3.5076 3.5076 3.5868 3.5868 4.7413 4.7413 4.7745 4.7745 4.8750 4.8750 4.9327 4.9327 9.6274 9.6274 k = 0.1562-0.1199-0.0805 ( 6189 PWs) bands (ev): -11.8251 -11.8251 -10.8858 -10.8858 -10.8123 -10.8123 -10.7673 -10.7673 -10.7131 -10.7131 -10.6910 -10.6910 -1.3524 -1.3524 -1.2568 -1.2568 -0.6648 -0.6648 -0.5814 -0.5814 -0.5233 -0.5233 -0.3002 -0.3002 0.1494 0.1494 0.2587 0.2587 0.3202 0.3202 0.4983 0.4983 0.6669 0.6669 0.8716 0.8716 1.0075 1.0075 1.9583 1.9583 2.0078 2.0078 2.1877 2.1877 2.4013 2.4013 2.5060 2.5060 3.1421 3.1421 3.3175 3.3175 3.3639 3.3639 3.4467 3.4467 3.5053 3.5053 3.5866 3.5866 4.7316 4.7316 4.7681 4.7681 4.8730 4.8730 4.9353 4.9353 9.6894 9.6894 k = 0.1719-0.1319-0.0886 ( 6197 PWs) bands (ev): -11.8124 -11.8124 -10.8820 -10.8820 -10.8275 -10.8275 -10.7722 -10.7722 -10.7155 -10.7155 -10.6900 -10.6900 -1.3459 -1.3459 -1.2689 -1.2689 -0.6750 -0.6750 -0.5862 -0.5862 -0.5274 -0.5274 -0.2559 -0.2559 0.1601 0.1601 0.2477 0.2477 0.3172 0.3172 0.5405 0.5405 0.6623 0.6623 0.9013 0.9013 1.0326 1.0326 1.9053 1.9053 1.9786 1.9786 2.1609 2.1609 2.3894 2.3894 2.4991 2.4991 3.1409 3.1409 3.3219 3.3219 3.3742 3.3742 3.4573 3.4573 3.5036 3.5036 3.5868 3.5868 4.7219 4.7219 4.7616 4.7616 4.8717 4.8717 4.9370 4.9370 9.7556 9.7556 k = 0.1875-0.1439-0.0966 ( 6197 PWs) bands (ev): -11.7986 -11.7986 -10.8779 -10.8779 -10.8437 -10.8437 -10.7770 -10.7770 -10.7181 -10.7181 -10.6894 -10.6894 -1.3456 -1.3456 -1.2728 -1.2728 -0.6857 -0.6857 -0.5888 -0.5888 -0.5303 -0.5303 -0.2117 -0.2117 0.1680 0.1680 0.2392 0.2392 0.3137 0.3137 0.5789 0.5789 0.6634 0.6634 0.9318 0.9318 1.0582 1.0582 1.8442 1.8442 1.9493 1.9493 2.1376 2.1376 2.3782 2.3782 2.4909 2.4909 3.1396 3.1396 3.3249 3.3249 3.3844 3.3844 3.4661 3.4661 3.5033 3.5033 3.5877 3.5877 4.7124 4.7124 4.7555 4.7555 4.8709 4.8709 4.9379 4.9379 9.8253 9.8253 k = 0.2031-0.1559-0.1047 ( 6194 PWs) bands (ev): -11.7837 -11.7837 -10.8737 -10.8737 -10.8608 -10.8608 -10.7818 -10.7818 -10.7210 -10.7210 -10.6892 -10.6892 -1.3530 -1.3530 -1.2669 -1.2669 -0.6969 -0.6969 -0.5892 -0.5892 -0.5320 -0.5320 -0.1680 -0.1680 0.1701 0.1701 0.2364 0.2364 0.3097 0.3097 0.6004 0.6004 0.6829 0.6829 0.9630 0.9630 1.0839 1.0839 1.7771 1.7771 1.9198 1.9198 2.1170 2.1170 2.3677 2.3677 2.4815 2.4815 3.1381 3.1381 3.3265 3.3265 3.3943 3.3943 3.4721 3.4721 3.5055 3.5055 3.5892 3.5892 4.7030 4.7030 4.7501 4.7501 4.8707 4.8707 4.9380 4.9380 9.8978 9.8978 k = 0.2188-0.1679-0.1127 ( 6187 PWs) bands (ev): -11.7677 -11.7677 -10.8795 -10.8795 -10.8685 -10.8685 -10.7864 -10.7864 -10.7242 -10.7242 -10.6894 -10.6894 -1.3655 -1.3655 -1.2539 -1.2539 -0.7085 -0.7085 -0.5874 -0.5874 -0.5320 -0.5320 -0.1251 -0.1251 0.1646 0.1646 0.2411 0.2411 0.3052 0.3052 0.6012 0.6012 0.7242 0.7242 0.9944 0.9944 1.1095 1.1095 1.7055 1.7055 1.8903 1.8903 2.0984 2.0984 2.3579 2.3579 2.4706 2.4706 3.1365 3.1365 3.3265 3.3265 3.4036 3.4036 3.4751 3.4751 3.5102 3.5102 3.5916 3.5916 4.6939 4.6939 4.7457 4.7457 4.8708 4.8708 4.9373 4.9373 9.9721 9.9721 k = 0.2344-0.1798-0.1208 ( 6200 PWs) bands (ev): -11.7508 -11.7508 -10.8986 -10.8986 -10.8637 -10.8637 -10.7908 -10.7908 -10.7275 -10.7275 -10.6901 -10.6901 -1.3800 -1.3800 -1.2368 -1.2368 -0.7202 -0.7202 -0.5836 -0.5836 -0.5301 -0.5301 -0.0833 -0.0833 0.1534 0.1534 0.2514 0.2514 0.3005 0.3005 0.5930 0.5930 0.7751 0.7751 1.0255 1.0255 1.1348 1.1348 1.6309 1.6309 1.8609 1.8609 2.0816 2.0816 2.3491 2.3491 2.4584 2.4584 3.1346 3.1346 3.3247 3.3247 3.4121 3.4121 3.4764 3.4764 3.5163 3.5163 3.5947 3.5947 4.6852 4.6852 4.7425 4.7425 4.8712 4.8712 4.9357 4.9357 10.0470 10.0470 k = 0.2500-0.1918-0.1288 ( 6206 PWs) bands (ev): -11.7328 -11.7328 -10.9187 -10.9187 -10.8586 -10.8586 -10.7951 -10.7951 -10.7309 -10.7309 -10.6911 -10.6911 -1.3952 -1.3952 -1.2171 -1.2171 -0.7321 -0.7321 -0.5782 -0.5782 -0.5256 -0.5256 -0.0430 -0.0430 0.1389 0.1389 0.2637 0.2637 0.2966 0.2966 0.5813 0.5813 0.8297 0.8297 1.0558 1.0558 1.1597 1.1597 1.5542 1.5542 1.8320 1.8320 2.0663 2.0663 2.3410 2.3410 2.4448 2.4448 3.1325 3.1325 3.3213 3.3213 3.4196 3.4196 3.4775 3.4775 3.5226 3.5226 3.5988 3.5988 4.6770 4.6770 4.7406 4.7406 4.8718 4.8718 4.9333 4.9333 10.1209 10.1209 k = 0.2656-0.2038-0.1369 ( 6211 PWs) bands (ev): -11.7139 -11.7139 -10.9398 -10.9398 -10.8532 -10.8532 -10.7992 -10.7992 -10.7343 -10.7343 -10.6925 -10.6925 -1.4104 -1.4104 -1.1955 -1.1955 -0.7438 -0.7438 -0.5716 -0.5716 -0.5182 -0.5182 -0.0045 -0.0045 0.1229 0.1229 0.2716 0.2716 0.2985 0.2985 0.5680 0.5680 0.8859 0.8859 1.0846 1.0846 1.1840 1.1840 1.4764 1.4764 1.8038 1.8038 2.0524 2.0524 2.3337 2.3337 2.4300 2.4300 3.1300 3.1300 3.3161 3.3161 3.4258 3.4258 3.4792 3.4792 3.5284 3.5284 3.6037 3.6037 4.6692 4.6692 4.7401 4.7401 4.8725 4.8725 4.9302 4.9302 10.1911 10.1911 k = 0.2812-0.2158-0.1449 ( 6215 PWs) bands (ev): -11.6942 -11.6942 -10.9617 -10.9617 -10.8476 -10.8476 -10.8031 -10.8031 -10.7378 -10.7378 -10.6944 -10.6944 -1.4251 -1.4251 -1.1725 -1.1725 -0.7554 -0.7554 -0.5643 -0.5643 -0.5074 -0.5074 0.0318 0.0318 0.1063 0.1063 0.2693 0.2693 0.3112 0.3112 0.5537 0.5537 0.9424 0.9424 1.1109 1.1109 1.2079 1.2079 1.3988 1.3988 1.7769 1.7769 2.0399 2.0399 2.3269 2.3269 2.4143 2.4143 3.1274 3.1274 3.3094 3.3094 3.4307 3.4307 3.4819 3.4819 3.5335 3.5335 3.6093 3.6093 4.6620 4.6620 4.7411 4.7411 4.8732 4.8732 4.9265 4.9265 10.2527 10.2527 k = 0.2969-0.2278-0.1530 ( 6215 PWs) bands (ev): -11.6735 -11.6735 -10.9843 -10.9843 -10.8419 -10.8419 -10.8068 -10.8068 -10.7413 -10.7413 -10.6966 -10.6966 -1.4393 -1.4393 -1.1483 -1.1483 -0.7666 -0.7666 -0.5564 -0.5564 -0.4933 -0.4933 0.0631 0.0631 0.0920 0.0920 0.2616 0.2616 0.3294 0.3294 0.5389 0.5389 0.9983 0.9983 1.1337 1.1337 1.2299 1.2299 1.3241 1.3241 1.7516 1.7516 2.0286 2.0286 2.3203 2.3203 2.3980 2.3980 3.1245 3.1245 3.3012 3.3012 3.4341 3.4341 3.4856 3.4856 3.5376 3.5376 3.6156 3.6156 4.6555 4.6555 4.7436 4.7436 4.8737 4.8737 4.9223 4.9223 10.2978 10.2978 k = 0.3125-0.2398-0.1610 ( 6215 PWs) bands (ev): -11.6521 -11.6521 -11.0077 -11.0077 -10.8360 -10.8360 -10.8101 -10.8101 -10.7447 -10.7447 -10.6992 -10.6992 -1.4527 -1.4527 -1.1233 -1.1233 -0.7774 -0.7774 -0.5480 -0.5480 -0.4761 -0.4761 0.0649 0.0649 0.1046 0.1046 0.2520 0.2520 0.3496 0.3496 0.5241 0.5241 1.0510 1.0510 1.1521 1.1521 1.2263 1.2263 1.2785 1.2785 1.7285 1.7285 2.0185 2.0185 2.3134 2.3134 2.3818 2.3818 3.1215 3.1215 3.2919 3.2919 3.4366 3.4366 3.4901 3.4901 3.5410 3.5410 3.6221 3.6221 4.6496 4.6496 4.7473 4.7473 4.8741 4.8741 4.9176 4.9176 10.3179 10.3179 k = 0.3281-0.2518-0.1691 ( 6209 PWs) bands (ev): -11.6300 -11.6300 -11.0317 -11.0317 -10.8303 -10.8303 -10.8130 -10.8130 -10.7480 -10.7480 -10.7021 -10.7021 -1.4654 -1.4654 -1.0978 -1.0978 -0.7877 -0.7877 -0.5389 -0.5389 -0.4563 -0.4563 0.0487 0.0487 0.1325 0.1325 0.2416 0.2416 0.3708 0.3708 0.5096 0.5096 1.0888 1.0888 1.1615 1.1615 1.1803 1.1803 1.2951 1.2951 1.7080 1.7080 2.0094 2.0094 2.3051 2.3051 2.3668 2.3668 3.1185 3.1185 3.2815 3.2815 3.4382 3.4382 3.4950 3.4950 3.5438 3.5438 3.6288 3.6288 4.6443 4.6443 4.7523 4.7523 4.8742 4.8742 4.9128 4.9128 10.3134 10.3134 k = 0.3438-0.2638-0.1771 ( 6213 PWs) bands (ev): -11.6072 -11.6072 -11.0562 -11.0562 -10.8251 -10.8251 -10.8149 -10.8149 -10.7511 -10.7511 -10.7055 -10.7055 -1.4772 -1.4772 -1.0722 -1.0722 -0.7973 -0.7973 -0.5288 -0.5288 -0.4346 -0.4346 0.0313 0.0313 0.1573 0.1573 0.2322 0.2322 0.3925 0.3925 0.4958 0.4958 1.0600 1.0600 1.1588 1.1588 1.1980 1.1980 1.3215 1.3215 1.6906 1.6906 2.0013 2.0013 2.2944 2.2944 2.3542 2.3542 3.1156 3.1156 3.2704 3.2704 3.4393 3.4393 3.5001 3.5001 3.5459 3.5459 3.6354 3.6354 4.6397 4.6397 4.7583 4.7583 4.8738 4.8738 4.9078 4.9078 10.2937 10.2937 k = 0.3594-0.2758-0.1852 ( 6208 PWs) bands (ev): -11.5838 -11.5838 -11.0813 -11.0813 -10.8227 -10.8227 -10.8137 -10.8137 -10.7541 -10.7541 -10.7091 -10.7091 -1.4881 -1.4881 -1.0468 -1.0468 -0.8061 -0.8061 -0.5175 -0.5175 -0.4118 -0.4118 0.0144 0.0144 0.1728 0.1728 0.2291 0.2291 0.4137 0.4137 0.4836 0.4836 0.9929 0.9929 1.1634 1.1634 1.2398 1.2398 1.3496 1.3496 1.6763 1.6763 1.9940 1.9940 2.2805 2.2805 2.3449 2.3449 3.1128 3.1128 3.2589 3.2589 3.4400 3.4400 3.5052 3.5052 3.5476 3.5476 3.6418 3.6418 4.6357 4.6357 4.7652 4.7652 4.8729 4.8729 4.9030 4.9030 10.2670 10.2670 k = 0.3750-0.2877-0.1932 ( 6205 PWs) bands (ev): -11.5600 -11.5600 -11.1066 -11.1066 -10.8237 -10.8237 -10.8088 -10.8088 -10.7568 -10.7568 -10.7131 -10.7131 -1.4980 -1.4980 -1.0221 -1.0221 -0.8142 -0.8142 -0.5050 -0.5050 -0.3889 -0.3889 -0.0012 -0.0012 0.1721 0.1721 0.2395 0.2395 0.4327 0.4327 0.4747 0.4747 0.9227 0.9227 1.1611 1.1611 1.2862 1.2862 1.3780 1.3780 1.6652 1.6652 1.9872 1.9872 2.2638 2.2638 2.3388 2.3388 3.1103 3.1103 3.2473 3.2473 3.4405 3.4405 3.5100 3.5100 3.5488 3.5488 3.6478 3.6478 4.6324 4.6324 4.7726 4.7726 4.8715 4.8715 4.8984 4.8984 10.2381 10.2381 k = 0.3906-0.2997-0.2013 ( 6213 PWs) bands (ev): -11.5358 -11.5358 -11.1322 -11.1322 -10.8254 -10.8254 -10.8029 -10.8029 -10.7593 -10.7593 -10.7174 -10.7174 -1.5069 -1.5069 -0.9987 -0.9987 -0.8213 -0.8213 -0.4911 -0.4911 -0.3672 -0.3672 -0.0147 -0.0147 0.1604 0.1604 0.2583 0.2583 0.4425 0.4425 0.4759 0.4759 0.8541 0.8541 1.1541 1.1541 1.3308 1.3308 1.4061 1.4061 1.6570 1.6570 1.9809 1.9809 2.2456 2.2456 2.3350 2.3350 3.1081 3.1081 3.2356 3.2356 3.4408 3.4408 3.5145 3.5145 3.5497 3.5497 3.6533 3.6533 4.6296 4.6296 4.7802 4.7802 4.8695 4.8695 4.8942 4.8942 10.2096 10.2096 k = 0.4062-0.3117-0.2093 ( 6219 PWs) bands (ev): -11.5114 -11.5114 -11.1578 -11.1578 -10.8271 -10.8271 -10.7967 -10.7967 -10.7615 -10.7615 -10.7219 -10.7219 -1.5147 -1.5147 -0.9770 -0.9770 -0.8274 -0.8274 -0.4759 -0.4759 -0.3481 -0.3481 -0.0249 -0.0249 0.1444 0.1444 0.2791 0.2791 0.4401 0.4401 0.4900 0.4900 0.7884 0.7884 1.1439 1.1439 1.3713 1.3713 1.4339 1.4339 1.6512 1.6512 1.9751 1.9751 2.2269 2.2269 2.3326 2.3326 3.1065 3.1065 3.2244 3.2244 3.4410 3.4410 3.5187 3.5187 3.5502 3.5502 3.6582 3.6582 4.6274 4.6274 4.7879 4.7879 4.8671 4.8671 4.8904 4.8904 10.1830 10.1830 k = 0.4219-0.3237-0.2174 ( 6217 PWs) bands (ev): -11.4871 -11.4871 -11.1831 -11.1831 -10.8286 -10.8286 -10.7905 -10.7905 -10.7634 -10.7634 -10.7267 -10.7267 -1.5213 -1.5213 -0.9578 -0.9578 -0.8325 -0.8325 -0.4594 -0.4594 -0.3336 -0.3336 -0.0302 -0.0302 0.1267 0.1267 0.2994 0.2994 0.4350 0.4350 0.5074 0.5074 0.7267 0.7267 1.1321 1.1321 1.4059 1.4059 1.4616 1.4616 1.6472 1.6472 1.9697 1.9697 2.2090 2.2090 2.3312 2.3312 3.1053 3.1053 3.2139 3.2139 3.4412 3.4412 3.5225 3.5225 3.5504 3.5504 3.6625 3.6625 4.6257 4.6257 4.7953 4.7953 4.8647 4.8647 4.8869 4.8869 10.1592 10.1592 k = 0.4375-0.3357-0.2254 ( 6215 PWs) bands (ev): -11.4633 -11.4633 -11.2079 -11.2079 -10.8299 -10.8299 -10.7843 -10.7843 -10.7650 -10.7650 -10.7316 -10.7316 -1.5268 -1.5268 -0.9414 -0.9414 -0.8364 -0.8364 -0.4419 -0.4419 -0.3253 -0.3253 -0.0295 -0.0295 0.1079 0.1079 0.3182 0.3182 0.4320 0.4320 0.5236 0.5236 0.6700 0.6700 1.1198 1.1198 1.4332 1.4332 1.4887 1.4887 1.6442 1.6442 1.9648 1.9648 2.1926 2.1926 2.3304 2.3304 3.1047 3.1047 3.2045 3.2045 3.4412 3.4412 3.5257 3.5257 3.5504 3.5504 3.6661 3.6661 4.6244 4.6244 4.8020 4.8020 4.8627 4.8627 4.8836 4.8836 10.1390 10.1390 k = 0.4531-0.3477-0.2335 ( 6221 PWs) bands (ev): -11.4406 -11.4406 -11.2312 -11.2312 -10.8309 -10.8309 -10.7785 -10.7785 -10.7662 -10.7662 -10.7366 -10.7366 -1.5311 -1.5311 -0.9284 -0.9284 -0.8392 -0.8392 -0.4238 -0.4238 -0.3238 -0.3238 -0.0223 -0.0223 0.0884 0.0884 0.3340 0.3340 0.4336 0.4336 0.5362 0.5362 0.6199 0.6199 1.1085 1.1085 1.4534 1.4534 1.5140 1.5140 1.6415 1.6415 1.9606 1.9606 2.1786 2.1786 2.3299 2.3299 3.1045 3.1045 3.1966 3.1966 3.4413 3.4413 3.5284 3.5284 3.5502 3.5502 3.6689 3.6689 4.6235 4.6235 4.8077 4.8077 4.8613 4.8613 4.8805 4.8805 10.1229 10.1229 k = 0.4688-0.3597-0.2415 ( 6213 PWs) bands (ev): -11.4204 -11.4204 -11.2519 -11.2519 -10.8316 -10.8316 -10.7733 -10.7733 -10.7668 -10.7668 -10.7413 -10.7413 -1.5342 -1.5342 -0.9190 -0.9190 -0.8409 -0.8409 -0.4060 -0.4060 -0.3284 -0.3284 -0.0094 -0.0094 0.0684 0.0684 0.3454 0.3454 0.4421 0.4421 0.5393 0.5393 0.5820 0.5820 1.0994 1.0994 1.4672 1.4672 1.5351 1.5351 1.6388 1.6388 1.9574 1.9574 2.1679 2.1679 2.3297 2.3297 3.1046 3.1046 3.1904 3.1904 3.4413 3.4413 3.5305 3.5305 3.5500 3.5500 3.6710 3.6710 4.6229 4.6229 4.8120 4.8120 4.8606 4.8606 4.8777 4.8777 10.1111 10.1111 k = 0.4844-0.3717-0.2496 ( 6211 PWs) bands (ev): -11.4053 -11.4053 -11.2673 -11.2673 -10.8321 -10.8321 -10.7699 -10.7699 -10.7664 -10.7664 -10.7452 -10.7452 -1.5360 -1.5360 -0.9135 -0.9135 -0.8419 -0.8419 -0.3907 -0.3907 -0.3363 -0.3363 0.0075 0.0075 0.0481 0.0481 0.3517 0.3517 0.4581 0.4581 0.5198 0.5198 0.5701 0.5701 1.0935 1.0935 1.4752 1.4752 1.5495 1.5495 1.6364 1.6364 1.9553 1.9553 2.1611 2.1611 2.3295 2.3295 3.1048 3.1048 3.1866 3.1866 3.4414 3.4414 3.5318 3.5318 3.5498 3.5498 3.6722 3.6722 4.6225 4.6225 4.8146 4.8146 4.8606 4.8606 4.8755 4.8755 10.1040 10.1040 k = 0.5000-0.3837-0.2576 ( 6204 PWs) bands (ev): -11.3995 -11.3995 -11.2732 -11.2732 -10.8322 -10.8322 -10.7693 -10.7693 -10.7654 -10.7654 -10.7469 -10.7469 -1.5366 -1.5366 -0.9116 -0.9116 -0.8421 -0.8421 -0.3836 -0.3836 -0.3410 -0.3410 0.0236 0.0236 0.0311 0.0311 0.3536 0.3536 0.4725 0.4725 0.5008 0.5008 0.5697 0.5697 1.0914 1.0914 1.4778 1.4778 1.5547 1.5547 1.6354 1.6354 1.9546 1.9546 2.1588 2.1588 2.3295 2.3295 3.1049 3.1049 3.1853 3.1853 3.4414 3.4414 3.5322 3.5322 3.5497 3.5497 3.6727 3.6727 4.6224 4.6224 4.8155 4.8155 4.8608 4.8608 4.8747 4.8747 10.1016 10.1016 k = 0.5000-0.3837-0.2576 ( 6204 PWs) bands (ev): -11.3995 -11.3995 -11.2732 -11.2732 -10.8322 -10.8322 -10.7693 -10.7693 -10.7654 -10.7654 -10.7469 -10.7469 -1.5366 -1.5366 -0.9116 -0.9116 -0.8421 -0.8421 -0.3836 -0.3836 -0.3410 -0.3410 0.0236 0.0236 0.0311 0.0311 0.3536 0.3536 0.4725 0.4725 0.5008 0.5008 0.5697 0.5697 1.0914 1.0914 1.4778 1.4778 1.5547 1.5547 1.6354 1.6354 1.9546 1.9546 2.1588 2.1588 2.3295 2.3295 3.1049 3.1049 3.1853 3.1853 3.4414 3.4414 3.5322 3.5322 3.5497 3.5497 3.6727 3.6727 4.6224 4.6224 4.8155 4.8155 4.8608 4.8608 4.8747 4.8747 10.1016 10.1016 k = 0.5000-0.3718-0.2753 ( 6210 PWs) bands (ev): -11.3990 -11.3990 -11.2729 -11.2729 -10.8337 -10.8337 -10.7689 -10.7689 -10.7652 -10.7652 -10.7469 -10.7469 -1.5349 -1.5349 -0.9119 -0.9119 -0.8416 -0.8416 -0.3858 -0.3858 -0.3403 -0.3403 0.0215 0.0215 0.0330 0.0330 0.3543 0.3543 0.4566 0.4566 0.5042 0.5042 0.5802 0.5802 1.0949 1.0949 1.4775 1.4775 1.5537 1.5537 1.6357 1.6357 1.9543 1.9543 2.1582 2.1582 2.3278 2.3278 3.1059 3.1059 3.1859 3.1859 3.4411 3.4411 3.5310 3.5310 3.5504 3.5504 3.6724 3.6724 4.6231 4.6231 4.8158 4.8158 4.8605 4.8605 4.8749 4.8749 10.1026 10.1026 k = 0.5000-0.3600-0.2929 ( 6212 PWs) bands (ev): -11.3975 -11.3975 -11.2719 -11.2719 -10.8382 -10.8382 -10.7681 -10.7681 -10.7648 -10.7648 -10.7466 -10.7466 -1.5296 -1.5296 -0.9129 -0.9129 -0.8401 -0.8401 -0.3919 -0.3919 -0.3386 -0.3386 0.0178 0.0178 0.0365 0.0365 0.3563 0.3563 0.4293 0.4293 0.4990 0.4990 0.6072 0.6072 1.1049 1.1049 1.4765 1.4765 1.5510 1.5510 1.6368 1.6368 1.9533 1.9533 2.1566 2.1566 2.3228 2.3228 3.1090 3.1090 3.1877 3.1877 3.4405 3.4405 3.5278 3.5278 3.5522 3.5522 3.6717 3.6717 4.6251 4.6251 4.8166 4.8166 4.8599 4.8599 4.8753 4.8753 10.1058 10.1058 k = 0.5000-0.3481-0.3105 ( 6202 PWs) bands (ev): -11.3951 -11.3951 -11.2703 -11.2703 -10.8451 -10.8451 -10.7670 -10.7670 -10.7641 -10.7641 -10.7462 -10.7462 -1.5208 -1.5208 -0.9146 -0.9146 -0.8376 -0.8376 -0.4009 -0.4009 -0.3367 -0.3367 0.0141 0.0141 0.0398 0.0398 0.3586 0.3586 0.4025 0.4025 0.4840 0.4840 0.6421 0.6421 1.1202 1.1202 1.4747 1.4747 1.5468 1.5468 1.6386 1.6386 1.9515 1.9515 2.1539 2.1539 2.3146 2.3146 3.1141 3.1141 3.1907 3.1907 3.4394 3.4394 3.5232 3.5232 3.5544 3.5544 3.6706 3.6706 4.6283 4.6283 4.8180 4.8180 4.8588 4.8588 4.8761 4.8761 10.1111 10.1111 k = 0.5000-0.3363-0.3282 ( 6206 PWs) bands (ev): -11.3917 -11.3917 -11.2680 -11.2680 -10.8542 -10.8542 -10.7661 -10.7661 -10.7632 -10.7632 -10.7456 -10.7456 -1.5087 -1.5087 -0.9170 -0.9170 -0.8342 -0.8342 -0.4123 -0.4123 -0.3352 -0.3352 0.0106 0.0106 0.0425 0.0425 0.3553 0.3553 0.3840 0.3840 0.4629 0.4629 0.6803 0.6803 1.1390 1.1390 1.4720 1.4720 1.5419 1.5419 1.6412 1.6412 1.9491 1.9491 2.1500 2.1500 2.3035 2.3035 3.1208 3.1208 3.1949 3.1949 3.4377 3.4377 3.5175 3.5175 3.5566 3.5566 3.6691 3.6691 4.6325 4.6325 4.8200 4.8200 4.8573 4.8573 4.8770 4.8770 10.1184 10.1184 k = 0.5000-0.3245-0.3458 ( 6212 PWs) bands (ev): -11.3873 -11.3873 -11.2651 -11.2651 -10.8651 -10.8651 -10.7655 -10.7655 -10.7621 -10.7621 -10.7449 -10.7449 -1.4933 -1.4933 -0.9202 -0.9202 -0.8299 -0.8299 -0.4254 -0.4254 -0.3345 -0.3345 0.0077 0.0077 0.0444 0.0444 0.3385 0.3385 0.3826 0.3826 0.4382 0.4382 0.7197 0.7197 1.1593 1.1593 1.4679 1.4679 1.5374 1.5374 1.6445 1.6445 1.9460 1.9460 2.1450 2.1450 2.2900 2.2900 3.1290 3.1290 3.2000 3.2000 3.4356 3.4356 3.5110 3.5110 3.5588 3.5588 3.6673 3.6673 4.6375 4.6375 4.8227 4.8227 4.8554 4.8554 4.8781 4.8781 10.1278 10.1278 k = 0.5000-0.3126-0.3634 ( 6216 PWs) bands (ev): -11.3819 -11.3819 -11.2616 -11.2616 -10.8774 -10.8774 -10.7654 -10.7654 -10.7610 -10.7610 -10.7440 -10.7440 -1.4747 -1.4747 -0.9242 -0.9242 -0.8247 -0.8247 -0.4400 -0.4400 -0.3347 -0.3347 0.0055 0.0055 0.0453 0.0453 0.3181 0.3181 0.3874 0.3874 0.4131 0.4131 0.7595 0.7595 1.1793 1.1793 1.4616 1.4616 1.5347 1.5347 1.6488 1.6488 1.9422 1.9422 2.1387 2.1387 2.2746 2.2746 3.1384 3.1384 3.2059 3.2059 3.4330 3.4330 3.5037 3.5037 3.5611 3.5611 3.6654 3.6654 4.6430 4.6430 4.8262 4.8262 4.8533 4.8533 4.8793 4.8793 10.1390 10.1390 k = 0.5000-0.3008-0.3811 ( 6216 PWs) bands (ev): -11.3757 -11.3757 -11.2576 -11.2576 -10.8911 -10.8911 -10.7660 -10.7660 -10.7598 -10.7598 -10.7430 -10.7430 -1.4531 -1.4531 -0.9292 -0.9292 -0.8188 -0.8188 -0.4555 -0.4555 -0.3358 -0.3358 0.0042 0.0042 0.0450 0.0450 0.2990 0.2990 0.3781 0.3781 0.4039 0.4039 0.7989 0.7989 1.1972 1.1972 1.4524 1.4524 1.5355 1.5355 1.6539 1.6539 1.9378 1.9378 2.1311 2.1311 2.2576 2.2576 3.1489 3.1489 3.2127 3.2127 3.4297 3.4297 3.4955 3.4955 3.5633 3.5633 3.6633 3.6633 4.6488 4.6488 4.8304 4.8304 4.8508 4.8508 4.8806 4.8806 10.1522 10.1522 k = 0.5000-0.2889-0.3987 ( 6218 PWs) bands (ev): -11.3685 -11.3685 -11.2530 -11.2530 -10.9059 -10.9059 -10.7675 -10.7675 -10.7583 -10.7583 -10.7417 -10.7417 -1.4287 -1.4287 -0.9353 -0.9353 -0.8121 -0.8121 -0.4718 -0.4718 -0.3379 -0.3379 0.0038 0.0038 0.0436 0.0436 0.2818 0.2818 0.3534 0.3534 0.4123 0.4123 0.8374 0.8374 1.2117 1.2117 1.4402 1.4402 1.5408 1.5408 1.6599 1.6599 1.9327 1.9327 2.1221 2.1221 2.2397 2.2397 3.1599 3.1599 3.2201 3.2201 3.4258 3.4258 3.4866 3.4866 3.5656 3.5656 3.6613 3.6613 4.6546 4.6546 4.8351 4.8351 4.8483 4.8483 4.8819 4.8819 10.1670 10.1670 k = 0.5000-0.2771-0.4164 ( 6224 PWs) bands (ev): -11.3604 -11.3604 -11.2480 -11.2480 -10.9217 -10.9217 -10.7698 -10.7698 -10.7567 -10.7567 -10.7403 -10.7403 -1.4018 -1.4018 -0.9424 -0.9424 -0.8050 -0.8050 -0.4882 -0.4882 -0.3407 -0.3407 0.0043 0.0043 0.0412 0.0412 0.2657 0.2657 0.3297 0.3297 0.4230 0.4230 0.8747 0.8747 1.2217 1.2217 1.4253 1.4253 1.5504 1.5504 1.6666 1.6666 1.9270 1.9270 2.1118 2.1118 2.2215 2.2215 3.1714 3.1714 3.2281 3.2281 3.4212 3.4212 3.4769 3.4769 3.5681 3.5681 3.6593 3.6593 4.6602 4.6602 4.8389 4.8389 4.8470 4.8470 4.8832 4.8832 10.1834 10.1834 k = 0.5000-0.2652-0.4340 ( 6218 PWs) bands (ev): -11.3514 -11.3514 -11.2425 -11.2425 -10.9383 -10.9383 -10.7731 -10.7731 -10.7548 -10.7548 -10.7387 -10.7387 -1.3727 -1.3727 -0.9507 -0.9507 -0.7975 -0.7975 -0.5045 -0.5045 -0.3443 -0.3443 0.0057 0.0057 0.0380 0.0380 0.2493 0.2493 0.3104 0.3104 0.4346 0.4346 0.9103 0.9103 1.2268 1.2268 1.4088 1.4088 1.5637 1.5637 1.6739 1.6739 1.9209 1.9209 2.1001 2.1001 2.2033 2.2033 3.1830 3.1830 3.2366 3.2366 3.4159 3.4159 3.4665 3.4665 3.5708 3.5708 3.6576 3.6576 4.6653 4.6653 4.8380 4.8380 4.8508 4.8508 4.8845 4.8845 10.2012 10.2012 k = 0.5000-0.2534-0.4516 ( 6212 PWs) bands (ev): -11.3416 -11.3416 -11.2368 -11.2368 -10.9556 -10.9556 -10.7772 -10.7772 -10.7528 -10.7528 -10.7370 -10.7370 -1.3417 -1.3417 -0.9601 -0.9601 -0.7899 -0.7899 -0.5199 -0.5199 -0.3486 -0.3486 0.0077 0.0077 0.0345 0.0345 0.2319 0.2319 0.2966 0.2966 0.4463 0.4463 0.9437 0.9437 1.2271 1.2271 1.3915 1.3915 1.5793 1.5793 1.6814 1.6814 1.9145 1.9145 2.0874 2.0874 2.1858 2.1858 3.1943 3.1943 3.2455 3.2455 3.4100 3.4100 3.4556 3.4556 3.5737 3.5737 3.6563 3.6563 4.6698 4.6698 4.8340 4.8340 4.8575 4.8575 4.8858 4.8858 10.2202 10.2202 k = 0.5000-0.2416-0.4693 ( 6206 PWs) bands (ev): -11.3310 -11.3310 -11.2308 -11.2308 -10.9734 -10.9734 -10.7822 -10.7822 -10.7506 -10.7506 -10.7351 -10.7351 -1.3094 -1.3094 -0.9706 -0.9706 -0.7823 -0.7823 -0.5340 -0.5340 -0.3534 -0.3534 0.0093 0.0093 0.0317 0.0317 0.2140 0.2140 0.2881 0.2881 0.4580 0.4580 0.9746 0.9746 1.2229 1.2229 1.3745 1.3745 1.5957 1.5957 1.6888 1.6888 1.9084 1.9084 2.0738 2.0738 2.1691 2.1691 3.2051 3.2051 3.2547 3.2547 3.4035 3.4035 3.4443 3.4443 3.5769 3.5769 3.6553 3.6553 4.6737 4.6737 4.8290 4.8290 4.8650 4.8650 4.8871 4.8871 10.2402 10.2402 k = 0.5000-0.2297-0.4869 ( 6204 PWs) bands (ev): -11.3195 -11.3195 -11.2250 -11.2250 -10.9914 -10.9914 -10.7880 -10.7880 -10.7483 -10.7483 -10.7331 -10.7331 -1.2763 -1.2763 -0.9822 -0.9822 -0.7751 -0.7751 -0.5462 -0.5462 -0.3587 -0.3587 0.0088 0.0088 0.0314 0.0314 0.1974 0.1974 0.2833 0.2833 0.4695 0.4695 1.0022 1.0022 1.2146 1.2146 1.3589 1.3589 1.6113 1.6113 1.6954 1.6954 1.9029 1.9029 2.0598 2.0598 2.1535 2.1535 3.2153 3.2153 3.2640 3.2640 3.3967 3.3967 3.4328 3.4328 3.5804 3.5804 3.6547 3.6547 4.6769 4.6769 4.8232 4.8232 4.8727 4.8727 4.8886 4.8886 10.2607 10.2607 k = 0.5000-0.2179-0.5045 ( 6208 PWs) bands (ev): -11.3073 -11.3073 -11.2194 -11.2194 -11.0092 -11.0092 -10.7945 -10.7945 -10.7458 -10.7458 -10.7309 -10.7309 -1.2432 -1.2432 -0.9943 -0.9943 -0.7683 -0.7683 -0.5560 -0.5560 -0.3643 -0.3643 0.0051 0.0051 0.0345 0.0345 0.1836 0.1836 0.2810 0.2810 0.4805 0.4805 1.0258 1.0258 1.2025 1.2025 1.3456 1.3456 1.6250 1.6250 1.7007 1.7007 1.8988 1.8988 2.0459 2.0459 2.1391 2.1391 3.2246 3.2246 3.2731 3.2731 3.3897 3.3897 3.4214 3.4214 3.5840 3.5840 3.6545 3.6545 4.6795 4.6795 4.8165 4.8165 4.8798 4.8798 4.8904 4.8904 10.2816 10.2816 k = 0.5000-0.2060-0.5222 ( 6200 PWs) bands (ev): -11.2943 -11.2943 -11.2145 -11.2145 -11.0265 -11.0265 -10.8018 -10.8018 -10.7432 -10.7432 -10.7286 -10.7286 -1.2113 -1.2113 -1.0064 -1.0064 -0.7622 -0.7622 -0.5629 -0.5629 -0.3702 -0.3702 -0.0008 -0.0008 0.0398 0.0398 0.1739 0.1739 0.2802 0.2802 0.4910 0.4910 1.0444 1.0444 1.1878 1.1878 1.3352 1.3352 1.6356 1.6356 1.7039 1.7039 1.8967 1.8967 2.0325 2.0325 2.1260 2.1260 3.2332 3.2332 3.2815 3.2815 3.3828 3.3828 3.4109 3.4109 3.5878 3.5878 3.6547 3.6547 4.6816 4.6816 4.8089 4.8089 4.8854 4.8854 4.8934 4.8934 10.3024 10.3024 k = 0.5000-0.1942-0.5398 ( 6196 PWs) bands (ev): -11.2807 -11.2807 -11.2110 -11.2110 -11.0424 -11.0424 -10.8098 -10.8098 -10.7405 -10.7405 -10.7262 -10.7262 -1.1823 -1.1823 -1.0173 -1.0173 -0.7568 -0.7568 -0.5666 -0.5666 -0.3763 -0.3763 -0.0080 -0.0080 0.0461 0.0461 0.1692 0.1692 0.2802 0.2802 0.5010 0.5010 1.0565 1.0565 1.1717 1.1717 1.3280 1.3280 1.6425 1.6425 1.7046 1.7046 1.8969 1.8969 2.0201 2.0201 2.1144 2.1144 3.2409 3.2409 3.2885 3.2885 3.3760 3.3760 3.4021 3.4021 3.5915 3.5915 3.6554 3.6554 4.6830 4.6830 4.8005 4.8005 4.8884 4.8884 4.8982 4.8982 10.3225 10.3225 k = 0.5000-0.1823-0.5574 ( 6206 PWs) bands (ev): -11.2664 -11.2664 -11.2097 -11.2097 -11.0563 -11.0563 -10.8183 -10.8183 -10.7377 -10.7377 -10.7238 -10.7238 -1.1589 -1.1589 -1.0249 -1.0249 -0.7516 -0.7516 -0.5671 -0.5671 -0.3824 -0.3824 -0.0157 -0.0157 0.0525 0.0525 0.1702 0.1702 0.2806 0.2806 0.5105 0.5105 1.0601 1.0601 1.1567 1.1567 1.3238 1.3238 1.6454 1.6454 1.7025 1.7025 1.8993 1.8993 2.0089 2.0089 2.1042 2.1042 3.2476 3.2476 3.2933 3.2933 3.3690 3.3690 3.3964 3.3964 3.5951 3.5951 3.6563 3.6563 4.6839 4.6839 4.7912 4.7912 4.8899 4.8899 4.9037 4.9037 10.3413 10.3413 k = 0.5000-0.1705-0.5751 ( 6206 PWs) bands (ev): -11.2515 -11.2515 -11.2115 -11.2115 -11.0668 -11.0668 -10.8275 -10.8275 -10.7348 -10.7348 -10.7212 -10.7212 -1.1449 -1.1449 -1.0258 -1.0258 -0.7461 -0.7461 -0.5646 -0.5646 -0.3886 -0.3886 -0.0236 -0.0236 0.0585 0.0585 0.1769 0.1769 0.2810 0.2810 0.5198 0.5198 1.0534 1.0534 1.1445 1.1445 1.3223 1.3223 1.6439 1.6439 1.6985 1.6985 1.9033 1.9033 1.9992 1.9992 2.0957 2.0957 3.2533 3.2533 3.2954 3.2954 3.3617 3.3617 3.3951 3.3951 3.5986 3.5986 3.6577 3.6577 4.6843 4.6843 4.7812 4.7812 4.8906 4.8906 4.9088 4.9088 10.3579 10.3579 k = 0.5000-0.1587-0.5927 ( 6218 PWs) bands (ev): -11.2364 -11.2364 -11.2171 -11.2171 -11.0731 -11.0731 -10.8371 -10.8371 -10.7319 -10.7319 -10.7186 -10.7186 -1.1426 -1.1426 -1.0187 -1.0187 -0.7397 -0.7397 -0.5593 -0.5593 -0.3947 -0.3947 -0.0312 -0.0312 0.0640 0.0640 0.1894 0.1894 0.2811 0.2811 0.5292 0.5292 1.0373 1.0373 1.1348 1.1348 1.3227 1.3227 1.6382 1.6382 1.6934 1.6934 1.9081 1.9081 1.9909 1.9909 2.0888 2.0888 3.2575 3.2575 3.2952 3.2952 3.3547 3.3547 3.3980 3.3980 3.6016 3.6016 3.6593 3.6593 4.6841 4.6841 4.7707 4.7707 4.8908 4.8908 4.9132 4.9132 10.3714 10.3714 k = 0.5000-0.1468-0.6103 ( 6214 PWs) bands (ev): -11.2298 -11.2298 -11.2181 -11.2181 -11.0750 -11.0750 -10.8472 -10.8472 -10.7290 -10.7290 -10.7160 -10.7160 -1.1497 -1.1497 -1.0063 -1.0063 -0.7314 -0.7314 -0.5516 -0.5516 -0.4007 -0.4007 -0.0385 -0.0385 0.0690 0.0690 0.2070 0.2070 0.2807 0.2807 0.5390 0.5390 1.0144 1.0144 1.1256 1.1256 1.3241 1.3241 1.6277 1.6277 1.6886 1.6886 1.9129 1.9129 1.9841 1.9841 2.0833 2.0833 3.2601 3.2601 3.2934 3.2934 3.3490 3.3490 3.4040 3.4040 3.6043 3.6043 3.6611 3.6611 4.6832 4.6832 4.7599 4.7599 4.8903 4.8903 4.9168 4.9168 10.3814 10.3814 k = 0.5000-0.1350-0.6280 ( 6214 PWs) bands (ev): -11.2431 -11.2431 -11.2026 -11.2026 -11.0727 -11.0727 -10.8578 -10.8578 -10.7260 -10.7260 -10.7133 -10.7133 -1.1621 -1.1621 -0.9931 -0.9931 -0.7209 -0.7209 -0.5418 -0.5418 -0.4064 -0.4064 -0.0454 -0.0454 0.0739 0.0739 0.2288 0.2288 0.2798 0.2798 0.5499 0.5499 0.9873 0.9873 1.1149 1.1149 1.3255 1.3255 1.6125 1.6125 1.6855 1.6855 1.9174 1.9174 1.9784 1.9784 2.0792 2.0792 3.2606 3.2606 3.2905 3.2905 3.3460 3.3460 3.4119 3.4119 3.6066 3.6066 3.6631 3.6631 4.6812 4.6812 4.7492 4.7492 4.8891 4.8891 4.9197 4.9197 10.3882 10.3882 k = 0.5000-0.1231-0.6456 ( 6226 PWs) bands (ev): -11.2603 -11.2603 -11.1857 -11.1857 -11.0673 -11.0673 -10.8686 -10.8686 -10.7230 -10.7230 -10.7106 -10.7106 -1.1771 -1.1771 -0.9817 -0.9817 -0.7081 -0.7081 -0.5303 -0.5303 -0.4116 -0.4116 -0.0518 -0.0518 0.0788 0.0788 0.2531 0.2531 0.2790 0.2790 0.5626 0.5626 0.9573 0.9573 1.1022 1.1022 1.3260 1.3260 1.5924 1.5924 1.6851 1.6851 1.9216 1.9216 1.9734 1.9734 2.0760 2.0760 3.2595 3.2595 3.2866 3.2866 3.3461 3.3461 3.4207 3.4207 3.6084 3.6084 3.6650 3.6650 4.6779 4.6779 4.7392 4.7392 4.8870 4.8870 4.9219 4.9219 10.3930 10.3930 k = 0.5000-0.1113-0.6632 ( 6226 PWs) bands (ev): -11.2796 -11.2796 -11.1684 -11.1684 -11.0596 -11.0596 -10.8798 -10.8798 -10.7200 -10.7200 -10.7079 -10.7079 -1.1931 -1.1931 -0.9731 -0.9731 -0.6933 -0.6933 -0.5172 -0.5172 -0.4162 -0.4162 -0.0582 -0.0582 0.0841 0.0841 0.2691 0.2691 0.2882 0.2882 0.5780 0.5780 0.9251 0.9251 1.0876 1.0876 1.3246 1.3246 1.5679 1.5679 1.6878 1.6878 1.9253 1.9253 1.9686 1.9686 2.0736 2.0736 3.2571 3.2571 3.2822 3.2822 3.3493 3.3493 3.4300 3.4300 3.6098 3.6098 3.6670 3.6670 4.6727 4.6727 4.7307 4.7307 4.8838 4.8838 4.9237 4.9237 10.3972 10.3972 k = 0.5000-0.0995-0.6809 ( 6218 PWs) bands (ev): -11.3003 -11.3003 -11.1507 -11.1507 -11.0502 -11.0502 -10.8911 -10.8911 -10.7170 -10.7170 -10.7052 -10.7052 -1.2094 -1.2094 -0.9673 -0.9673 -0.6776 -0.6776 -0.5027 -0.5027 -0.4196 -0.4196 -0.0646 -0.0646 0.0896 0.0896 0.2676 0.2676 0.3149 0.3149 0.5973 0.5973 0.8910 0.8910 1.0716 1.0716 1.3208 1.3208 1.5398 1.5398 1.6935 1.6935 1.9287 1.9287 1.9638 1.9638 2.0717 2.0717 3.2540 3.2540 3.2779 3.2779 3.3551 3.3551 3.4393 3.4393 3.6107 3.6107 3.6688 3.6688 4.6655 4.6655 4.7240 4.7240 4.8796 4.8796 4.9251 4.9251 10.4022 10.4022 k = 0.7745 0.0359-0.3497 ( 6218 PWs) bands (ev): -11.3003 -11.3003 -11.1506 -11.1506 -11.0502 -11.0502 -10.8911 -10.8911 -10.7170 -10.7170 -10.7052 -10.7052 -1.2094 -1.2094 -0.9673 -0.9673 -0.6776 -0.6776 -0.5027 -0.5027 -0.4196 -0.4196 -0.0646 -0.0646 0.0896 0.0896 0.2676 0.2676 0.3149 0.3149 0.5973 0.5973 0.8910 0.8910 1.0716 1.0716 1.3208 1.3208 1.5398 1.5398 1.6935 1.6935 1.9287 1.9287 1.9638 1.9638 2.0717 2.0717 3.2540 3.2540 3.2779 3.2779 3.3551 3.3551 3.4393 3.4393 3.6107 3.6107 3.6688 3.6688 4.6655 4.6655 4.7240 4.7240 4.8796 4.8796 4.9251 4.9251 10.4022 10.4022 k = 0.7654 0.0429-0.3325 ( 6210 PWs) bands (ev): -11.3213 -11.3213 -11.1331 -11.1331 -11.0399 -11.0399 -10.9024 -10.9024 -10.7141 -10.7141 -10.7027 -10.7027 -1.2249 -1.2249 -0.9638 -0.9638 -0.6621 -0.6621 -0.4881 -0.4881 -0.4210 -0.4210 -0.0712 -0.0712 0.0954 0.0954 0.2629 0.2629 0.3428 0.3428 0.6208 0.6208 0.8560 0.8560 1.0553 1.0553 1.3140 1.3140 1.5096 1.5096 1.7018 1.7018 1.9306 1.9306 1.9597 1.9597 2.0702 2.0702 3.2504 3.2504 3.2746 3.2746 3.3625 3.3625 3.4480 3.4480 3.6111 3.6111 3.6705 3.6705 4.6567 4.6567 4.7194 4.7194 4.8744 4.8744 4.9263 4.9263 10.4085 10.4085 k = 0.7562 0.0500-0.3154 ( 6204 PWs) bands (ev): -11.3429 -11.3429 -11.1153 -11.1153 -11.0287 -11.0287 -10.9137 -10.9137 -10.7113 -10.7113 -10.7001 -10.7001 -1.2397 -1.2397 -0.9620 -0.9620 -0.6473 -0.6473 -0.4747 -0.4747 -0.4186 -0.4186 -0.0784 -0.0784 0.1015 0.1015 0.2570 0.2570 0.3695 0.3695 0.6501 0.6501 0.8192 0.8192 1.0389 1.0389 1.3038 1.3038 1.4776 1.4776 1.7124 1.7124 1.9293 1.9293 1.9579 1.9579 2.0691 2.0691 3.2460 3.2460 3.2728 3.2728 3.3709 3.3709 3.4563 3.4563 3.6112 3.6112 3.6718 3.6718 4.6466 4.6466 4.7164 4.7164 4.8682 4.8682 4.9272 4.9272 10.4164 10.4164 k = 0.7471 0.0570-0.2982 ( 6202 PWs) bands (ev): -11.3647 -11.3647 -11.0973 -11.0973 -11.0170 -11.0170 -10.9251 -10.9251 -10.7086 -10.7086 -10.6977 -10.6977 -1.2536 -1.2536 -0.9611 -0.9611 -0.6336 -0.6336 -0.4651 -0.4651 -0.4098 -0.4098 -0.0863 -0.0863 0.1076 0.1076 0.2500 0.2500 0.3938 0.3938 0.6856 0.6856 0.7808 0.7808 1.0229 1.0229 1.2897 1.2897 1.4450 1.4450 1.7248 1.7248 1.9229 1.9229 1.9599 1.9599 2.0683 2.0683 3.2412 3.2412 3.2726 3.2726 3.3802 3.3802 3.4639 3.4639 3.6109 3.6109 3.6728 3.6728 4.6360 4.6360 4.7144 4.7144 4.8612 4.8612 4.9279 4.9279 10.4262 10.4262 k = 0.7379 0.0640-0.2810 ( 6204 PWs) bands (ev): -11.3865 -11.3865 -11.0792 -11.0792 -11.0048 -11.0048 -10.9365 -10.9365 -10.7059 -10.7059 -10.6953 -10.6953 -1.2665 -1.2665 -0.9606 -0.9606 -0.6211 -0.6211 -0.4605 -0.4605 -0.3936 -0.3936 -0.0951 -0.0951 0.1136 0.1136 0.2423 0.2423 0.4150 0.4150 0.7260 0.7260 0.7422 0.7422 1.0078 1.0078 1.2711 1.2711 1.4128 1.4128 1.7385 1.7385 1.9125 1.9125 1.9646 1.9646 2.0682 2.0682 3.2360 3.2360 3.2740 3.2740 3.3898 3.3898 3.4707 3.4707 3.6104 3.6104 3.6735 3.6735 4.6255 4.6255 4.7132 4.7132 4.8534 4.8534 4.9285 4.9285 10.4376 10.4376 k = 0.7288 0.0710-0.2638 ( 6202 PWs) bands (ev): -11.4083 -11.4083 -11.0611 -11.0611 -10.9924 -10.9924 -10.9478 -10.9478 -10.7033 -10.7033 -10.6930 -10.6930 -1.2781 -1.2781 -0.9602 -0.9602 -0.6100 -0.6100 -0.4591 -0.4591 -0.3721 -0.3721 -0.1046 -0.1046 0.1189 0.1189 0.2341 0.2341 0.4332 0.4332 0.6993 0.6993 0.7745 0.7745 0.9935 0.9935 1.2480 1.2480 1.3823 1.3823 1.7528 1.7528 1.8995 1.8995 1.9705 1.9705 2.0691 2.0691 3.2308 3.2308 3.2767 3.2767 3.3996 3.3996 3.4768 3.4768 3.6096 3.6096 3.6738 3.6738 4.6157 4.6157 4.7125 4.7125 4.8451 4.8451 4.9288 4.9288 10.4505 10.4505 k = 0.7196 0.0781-0.2466 ( 6198 PWs) bands (ev): -11.4298 -11.4298 -11.0429 -11.0429 -10.9801 -10.9801 -10.9587 -10.9587 -10.7009 -10.7009 -10.6908 -10.6908 -1.2884 -1.2884 -0.9595 -0.9595 -0.5999 -0.5999 -0.4590 -0.4590 -0.3476 -0.3476 -0.1147 -0.1147 0.1230 0.1230 0.2261 0.2261 0.4486 0.4486 0.6579 0.6579 0.8239 0.8239 0.9804 0.9804 1.2214 1.2214 1.3540 1.3540 1.7674 1.7674 1.8847 1.8847 1.9768 1.9768 2.0714 2.0714 3.2256 3.2256 3.2804 3.2804 3.4093 3.4093 3.4820 3.4820 3.6086 3.6086 3.6736 3.6736 4.6068 4.6068 4.7121 4.7121 4.8364 4.8364 4.9290 4.9290 10.4645 10.4645 k = 0.7105 0.0851-0.2295 ( 6188 PWs) bands (ev): -11.4510 -11.4510 -11.0247 -11.0247 -10.9737 -10.9737 -10.9633 -10.9633 -10.6986 -10.6986 -10.6888 -10.6888 -1.2972 -1.2972 -0.9582 -0.9582 -0.5908 -0.5908 -0.4593 -0.4593 -0.3214 -0.3214 -0.1254 -0.1254 0.1247 0.1247 0.2190 0.2190 0.4613 0.4613 0.6167 0.6167 0.8723 0.8723 0.9689 0.9689 1.1941 1.1941 1.3278 1.3278 1.7814 1.7814 1.8688 1.8688 1.9829 1.9829 2.0756 2.0756 3.2205 3.2205 3.2848 3.2848 3.4188 3.4188 3.4862 3.4862 3.6076 3.6076 3.6728 3.6728 4.5994 4.5994 4.7120 4.7120 4.8276 4.8276 4.9291 4.9291 10.4794 10.4794 k = 0.7013 0.0921-0.2123 ( 6188 PWs) bands (ev): -11.4719 -11.4719 -11.0067 -11.0067 -10.9828 -10.9828 -10.9522 -10.9522 -10.6964 -10.6964 -10.6869 -10.6869 -1.3046 -1.3046 -0.9562 -0.9562 -0.5823 -0.5823 -0.4594 -0.4594 -0.2945 -0.2945 -0.1360 -0.1360 0.1229 0.1229 0.2138 0.2138 0.4709 0.4709 0.5773 0.5773 0.9095 0.9095 0.9627 0.9627 1.1719 1.1719 1.3031 1.3031 1.7938 1.7938 1.8532 1.8532 1.9885 1.9885 2.0819 2.0819 3.2155 3.2155 3.2896 3.2896 3.4277 3.4277 3.4896 3.4896 3.6067 3.6067 3.6714 3.6714 4.5935 4.5935 4.7120 4.7120 4.8188 4.8188 4.9290 4.9290 10.4947 10.4947 k = 0.6922 0.0991-0.1951 ( 6192 PWs) bands (ev): -11.4922 -11.4922 -10.9935 -10.9935 -10.9887 -10.9887 -10.9393 -10.9393 -10.6944 -10.6944 -10.6852 -10.6852 -1.3104 -1.3104 -0.9532 -0.9532 -0.5743 -0.5743 -0.4594 -0.4594 -0.2683 -0.2683 -0.1459 -0.1459 0.1164 0.1164 0.2112 0.2112 0.4745 0.4745 0.5436 0.5436 0.9166 0.9166 0.9699 0.9699 1.1653 1.1653 1.2798 1.2798 1.8018 1.8018 1.8406 1.8406 1.9935 1.9935 2.0908 2.0908 3.2106 3.2106 3.2945 3.2945 3.4357 3.4357 3.4922 3.4922 3.6059 3.6059 3.6693 3.6693 4.5895 4.5895 4.7120 4.7120 4.8104 4.8104 4.9287 4.9287 10.5101 10.5101 k = 0.6830 0.1061-0.1779 ( 6198 PWs) bands (ev): -11.5120 -11.5120 -11.0040 -11.0040 -10.9711 -10.9711 -10.9263 -10.9263 -10.6925 -10.6925 -10.6836 -10.6836 -1.3146 -1.3146 -0.9491 -0.9491 -0.5667 -0.5667 -0.4590 -0.4590 -0.2450 -0.2450 -0.1527 -0.1527 0.1048 0.1048 0.2114 0.2114 0.4633 0.4633 0.5254 0.5254 0.9012 0.9012 0.9723 0.9723 1.1824 1.1824 1.2591 1.2591 1.7995 1.7995 1.8377 1.8377 1.9980 1.9980 2.1022 2.1022 3.2057 3.2057 3.2993 3.2993 3.4423 3.4423 3.4944 3.4944 3.6053 3.6053 3.6664 3.6664 4.5874 4.5874 4.7119 4.7119 4.8026 4.8026 4.9284 4.9284 10.5253 10.5253 k = 0.6739 0.1132-0.1608 ( 6200 PWs) bands (ev): -11.5312 -11.5312 -11.0143 -11.0143 -10.9536 -10.9536 -10.9133 -10.9133 -10.6909 -10.6909 -10.6823 -10.6823 -1.3173 -1.3173 -0.9439 -0.9439 -0.5592 -0.5592 -0.4583 -0.4583 -0.2294 -0.2294 -0.1518 -0.1518 0.0885 0.0885 0.2135 0.2135 0.4369 0.4369 0.5242 0.5242 0.8751 0.8751 0.9618 0.9618 1.2042 1.2042 1.2549 1.2549 1.7883 1.7883 1.8438 1.8438 2.0022 2.0022 2.1160 2.1160 3.2009 3.2009 3.3038 3.3038 3.4469 3.4469 3.4968 3.4968 3.6050 3.6050 3.6627 3.6627 4.5872 4.5872 4.7116 4.7116 4.7958 4.7958 4.9279 4.9279 10.5399 10.5399 k = 0.6647 0.1202-0.1436 ( 6196 PWs) bands (ev): -11.5497 -11.5497 -11.0244 -11.0244 -10.9364 -10.9364 -10.9003 -10.9003 -10.6894 -10.6894 -10.6812 -10.6812 -1.3183 -1.3183 -0.9374 -0.9374 -0.5517 -0.5517 -0.4573 -0.4573 -0.2264 -0.2264 -0.1385 -0.1385 0.0680 0.0680 0.2167 0.2167 0.4070 0.4070 0.5292 0.5292 0.8411 0.8411 0.9468 0.9468 1.1930 1.1930 1.2928 1.2928 1.7759 1.7759 1.8523 1.8523 2.0063 2.0063 2.1320 2.1320 3.1961 3.1961 3.3078 3.3078 3.4487 3.4487 3.4999 3.4999 3.6051 3.6051 3.6581 3.6581 4.5888 4.5888 4.7110 4.7110 4.7903 4.7903 4.9274 4.9274 10.5537 10.5537 k = 0.6556 0.1272-0.1264 ( 6202 PWs) bands (ev): -11.5675 -11.5675 -11.0341 -11.0341 -10.9196 -10.9196 -10.8875 -10.8875 -10.6882 -10.6882 -10.6804 -10.6804 -1.3178 -1.3178 -0.9296 -0.9296 -0.5443 -0.5443 -0.4560 -0.4560 -0.2330 -0.2330 -0.1163 -0.1163 0.0440 0.0440 0.2200 0.2200 0.3792 0.3792 0.5354 0.5354 0.8014 0.8014 0.9313 0.9313 1.1699 1.1699 1.3432 1.3432 1.7668 1.7668 1.8612 1.8612 2.0105 2.0105 2.1499 2.1499 3.1913 3.1913 3.3111 3.3111 3.4474 3.4474 3.5042 3.5042 3.6054 3.6054 3.6526 3.6526 4.5921 4.5921 4.7096 4.7096 4.7867 4.7867 4.9269 4.9269 10.5664 10.5664 k = 0.6464 0.1342-0.1092 ( 6202 PWs) bands (ev): -11.5845 -11.5845 -11.0435 -11.0435 -10.9032 -10.9032 -10.8749 -10.8749 -10.6871 -10.6871 -10.6798 -10.6798 -1.3157 -1.3157 -0.9205 -0.9205 -0.5368 -0.5368 -0.4545 -0.4545 -0.2440 -0.2440 -0.0913 -0.0913 0.0180 0.0180 0.2229 0.2229 0.3554 0.3554 0.5412 0.5412 0.7589 0.7589 0.9158 0.9158 1.1444 1.1444 1.3910 1.3910 1.7639 1.7639 1.8701 1.8701 2.0150 2.0150 2.1694 2.1694 3.1865 3.1865 3.3137 3.3137 3.4430 3.4430 3.5094 3.5094 3.6058 3.6058 3.6463 3.6463 4.5967 4.5967 4.7074 4.7074 4.7853 4.7853 4.9264 4.9264 10.5778 10.5778 k = 0.6373 0.1412-0.0921 ( 6198 PWs) bands (ev): -11.6007 -11.6007 -11.0524 -11.0524 -10.8873 -10.8873 -10.8625 -10.8625 -10.6864 -10.6864 -10.6796 -10.6796 -1.3122 -1.3122 -0.9101 -0.9101 -0.5293 -0.5293 -0.4529 -0.4529 -0.2570 -0.2570 -0.0713 -0.0713 -0.0044 -0.0044 0.2248 0.2248 0.3364 0.3364 0.5454 0.5454 0.7165 0.7165 0.8998 0.8998 1.1177 1.1177 1.4299 1.4299 1.7706 1.7706 1.8790 1.8790 2.0202 2.0202 2.1902 2.1902 3.1817 3.1817 3.3154 3.3154 3.4361 3.4361 3.5153 3.5153 3.6060 3.6060 3.6395 3.6395 4.6024 4.6024 4.7043 4.7043 4.7865 4.7865 4.9260 4.9260 10.5879 10.5879 k = 0.6281 0.1483-0.0749 ( 6204 PWs) bands (ev): -11.6160 -11.6160 -11.0610 -11.0610 -10.8718 -10.8718 -10.8504 -10.8504 -10.6859 -10.6859 -10.6796 -10.6796 -1.3072 -1.3072 -0.8984 -0.8984 -0.5217 -0.5217 -0.4512 -0.4512 -0.2708 -0.2708 -0.0756 -0.0756 -0.0042 -0.0042 0.2254 0.2254 0.3224 0.3224 0.5458 0.5458 0.6773 0.6773 0.8831 0.8831 1.0903 1.0903 1.4561 1.4561 1.7892 1.7892 1.8881 1.8881 2.0265 2.0265 2.2118 2.2118 3.1771 3.1771 3.3162 3.3162 3.4271 3.4271 3.5213 3.5213 3.6053 3.6053 3.6328 3.6328 4.6086 4.6086 4.7003 4.7003 4.7904 4.7904 4.9257 4.9257 10.5966 10.5966 k = 0.6190 0.1553-0.0577 ( 6202 PWs) bands (ev): -11.6305 -11.6305 -11.0690 -11.0690 -10.8569 -10.8569 -10.8385 -10.8385 -10.6858 -10.6858 -10.6799 -10.6799 -1.3009 -1.3009 -0.8854 -0.8854 -0.5141 -0.5141 -0.4494 -0.4494 -0.2850 -0.2850 -0.1039 -0.1039 0.0184 0.0184 0.2246 0.2246 0.3130 0.3130 0.5388 0.5388 0.6461 0.6461 0.8653 0.8653 1.0625 1.0625 1.4688 1.4688 1.8184 1.8184 1.8978 1.8978 2.0349 2.0349 2.2340 2.2340 3.1726 3.1726 3.3160 3.3160 3.4164 3.4164 3.5271 3.5271 3.6022 3.6022 3.6278 3.6278 4.6150 4.6150 4.6957 4.6957 4.7969 4.7969 4.9254 4.9254 10.6038 10.6038 k = 0.6098 0.1623-0.0405 ( 6192 PWs) bands (ev): -11.6440 -11.6440 -11.0766 -11.0766 -10.8425 -10.8425 -10.8270 -10.8270 -10.6859 -10.6859 -10.6806 -10.6806 -1.2933 -1.2933 -0.8712 -0.8712 -0.5066 -0.5066 -0.4477 -0.4477 -0.2993 -0.2993 -0.1392 -0.1392 0.0469 0.0469 0.2225 0.2225 0.3075 0.3075 0.5201 0.5201 0.6278 0.6278 0.8464 0.8464 1.0344 1.0344 1.4707 1.4707 1.8531 1.8531 1.9085 1.9085 2.0472 2.0472 2.2565 2.2565 3.1684 3.1684 3.3150 3.3150 3.4044 3.4044 3.5325 3.5325 3.5957 3.5957 3.6255 3.6255 4.6213 4.6213 4.6906 4.6906 4.8059 4.8059 4.9253 4.9253 10.6097 10.6097 k = 0.6007 0.1693-0.0234 ( 6188 PWs) bands (ev): -11.6565 -11.6565 -11.0836 -11.0836 -10.8287 -10.8287 -10.8158 -10.8158 -10.6864 -10.6864 -10.6816 -10.6816 -1.2847 -1.2847 -0.8559 -0.8559 -0.4991 -0.4991 -0.4461 -0.4461 -0.3137 -0.3137 -0.1764 -0.1764 0.0768 0.0768 0.2195 0.2195 0.3048 0.3048 0.4917 0.4917 0.6214 0.6214 0.8264 0.8264 1.0063 1.0063 1.4653 1.4653 1.8858 1.8858 1.9212 1.9212 2.0657 2.0657 2.2789 2.2789 3.1645 3.1645 3.3131 3.3131 3.3913 3.3913 3.5373 3.5373 3.5866 3.5866 3.6256 3.6256 4.6270 4.6270 4.6855 4.6855 4.8168 4.8168 4.9252 4.9252 10.6142 10.6142 k = 0.5915 0.1764-0.0062 ( 6184 PWs) bands (ev): -11.6681 -11.6681 -11.0901 -11.0901 -10.8155 -10.8155 -10.8050 -10.8050 -10.6872 -10.6872 -10.6830 -10.6830 -1.2751 -1.2751 -0.8397 -0.8397 -0.4919 -0.4919 -0.4447 -0.4447 -0.3279 -0.3279 -0.2138 -0.2138 0.1066 0.1066 0.2157 0.2157 0.3040 0.3040 0.4600 0.4600 0.6212 0.6212 0.8055 0.8055 0.9784 0.9784 1.4557 1.4557 1.9095 1.9095 1.9368 1.9368 2.0929 2.0929 2.3010 2.3010 3.1611 3.1611 3.3102 3.3102 3.3773 3.3773 3.5410 3.5410 3.5763 3.5763 3.6268 3.6268 4.6320 4.6320 4.6803 4.6803 4.8293 4.8293 4.9253 4.9253 10.6176 10.6176 k = 0.5824 0.1834 0.0110 ( 6190 PWs) bands (ev): -11.6786 -11.6786 -11.0960 -11.0960 -10.8030 -10.8030 -10.7945 -10.7945 -10.6884 -10.6884 -10.6848 -10.6848 -1.2649 -1.2649 -0.8227 -0.8227 -0.4849 -0.4849 -0.4436 -0.4436 -0.3419 -0.3419 -0.2504 -0.2504 0.1357 0.1357 0.2113 0.2113 0.3043 0.3043 0.4296 0.4296 0.6238 0.6238 0.7840 0.7840 0.9509 0.9509 1.4440 1.4440 1.9248 1.9248 1.9521 1.9521 2.1289 2.1289 2.3227 2.3227 3.1583 3.1583 3.3064 3.3064 3.3627 3.3627 3.5428 3.5428 3.5666 3.5666 3.6286 3.6286 4.6364 4.6364 4.6753 4.6753 4.8429 4.8429 4.9255 4.9255 10.6199 10.6199 k = 0.5732 0.1904 0.0282 ( 6186 PWs) bands (ev): -11.6881 -11.6881 -11.1014 -11.1014 -10.7911 -10.7911 -10.7845 -10.7845 -10.6900 -10.6900 -10.6870 -10.6870 -1.2542 -1.2542 -0.8052 -0.8052 -0.4784 -0.4784 -0.4428 -0.4428 -0.3555 -0.3555 -0.2854 -0.2854 0.1624 0.1624 0.2068 0.2068 0.3054 0.3054 0.4033 0.4033 0.6273 0.6273 0.7623 0.7623 0.9240 0.9240 1.4315 1.4315 1.9365 1.9365 1.9633 1.9633 2.1704 2.1704 2.3436 2.3436 3.1562 3.1562 3.3018 3.3018 3.3478 3.3478 3.5401 3.5401 3.5606 3.5606 3.6307 3.6307 4.6400 4.6400 4.6707 4.6707 4.8569 4.8569 4.9257 4.9257 10.6213 10.6213 k = 0.5641 0.1974 0.0453 ( 6180 PWs) bands (ev): -11.6965 -11.6965 -11.1062 -11.1062 -10.7799 -10.7799 -10.7749 -10.7749 -10.6921 -10.6921 -10.6897 -10.6897 -1.2434 -1.2434 -0.7875 -0.7875 -0.4724 -0.4724 -0.4425 -0.4425 -0.3685 -0.3685 -0.3182 -0.3182 0.1791 0.1791 0.2089 0.2089 0.3067 0.3067 0.3826 0.3826 0.6311 0.6311 0.7407 0.7407 0.8982 0.8982 1.4192 1.4192 1.9466 1.9466 1.9708 1.9708 2.2133 2.2133 2.3638 2.3638 3.1550 3.1550 3.2964 3.2964 3.3329 3.3329 3.5322 3.5322 3.5597 3.5597 3.6327 3.6327 4.6430 4.6430 4.6664 4.6664 4.8709 4.8709 4.9260 4.9260 10.6220 10.6220 k = 0.5549 0.2044 0.0625 ( 6182 PWs) bands (ev): -11.7038 -11.7038 -11.1104 -11.1104 -10.7694 -10.7694 -10.7657 -10.7657 -10.6946 -10.6946 -10.6927 -10.6927 -1.2328 -1.2328 -0.7700 -0.7700 -0.4671 -0.4671 -0.4429 -0.4429 -0.3807 -0.3807 -0.3479 -0.3479 0.1758 0.1758 0.2272 0.2272 0.3083 0.3083 0.3682 0.3682 0.6347 0.6347 0.7198 0.7198 0.8737 0.8737 1.4076 1.4076 1.9557 1.9557 1.9758 1.9758 2.2542 2.2542 2.3832 2.3832 3.1546 3.1546 3.2904 3.2904 3.3182 3.3182 3.5225 3.5225 3.5607 3.5607 3.6347 3.6347 4.6453 4.6453 4.6626 4.6626 4.8842 4.8842 4.9264 4.9264 10.6221 10.6221 k = 0.5458 0.2115 0.0797 ( 6190 PWs) bands (ev): -11.7100 -11.7100 -11.1139 -11.1139 -10.7597 -10.7597 -10.7570 -10.7570 -10.6976 -10.6976 -10.6961 -10.6961 -1.2228 -1.2228 -0.7531 -0.7531 -0.4627 -0.4627 -0.4442 -0.4442 -0.3917 -0.3917 -0.3738 -0.3738 0.1649 0.1649 0.2494 0.2494 0.3099 0.3099 0.3595 0.3595 0.6379 0.6379 0.7002 0.7002 0.8512 0.8512 1.3971 1.3971 1.9636 1.9636 1.9792 1.9792 2.2907 2.2907 2.4019 2.4019 3.1550 3.1550 3.2840 3.2840 3.3041 3.3041 3.5131 3.5131 3.5622 3.5622 3.6365 3.6365 4.6472 4.6472 4.6594 4.6594 4.8963 4.8963 4.9268 4.9268 10.6218 10.6218 k = 0.5366 0.2185 0.0969 ( 6190 PWs) bands (ev): -11.7151 -11.7151 -11.1168 -11.1168 -10.7506 -10.7506 -10.7487 -10.7487 -10.7011 -10.7011 -10.7000 -10.7000 -1.2138 -1.2138 -0.7376 -0.7376 -0.4596 -0.4596 -0.4467 -0.4467 -0.4016 -0.4016 -0.3945 -0.3945 0.1527 0.1527 0.2698 0.2698 0.3116 0.3116 0.3555 0.3555 0.6405 0.6405 0.6825 0.6825 0.8312 0.8312 1.3882 1.3882 1.9702 1.9702 1.9816 1.9816 2.3209 2.3209 2.4197 2.4197 3.1562 3.1562 3.2776 3.2776 3.2912 3.2912 3.5049 3.5049 3.5635 3.5635 3.6380 3.6380 4.6484 4.6484 4.6568 4.6568 4.9068 4.9068 4.9273 4.9273 10.6250 10.6251 k = 0.5275 0.2255 0.1141 ( 6180 PWs) bands (ev): -11.7191 -11.7191 -11.1191 -11.1191 -10.7423 -10.7423 -10.7408 -10.7408 -10.7052 -10.7052 -10.7044 -10.7044 -1.2062 -1.2062 -0.7241 -0.7241 -0.4581 -0.4581 -0.4502 -0.4502 -0.4134 -0.4134 -0.4055 -0.4055 0.1414 0.1414 0.2863 0.2863 0.3137 0.3137 0.3547 0.3547 0.6424 0.6424 0.6677 0.6677 0.8145 0.8145 1.3811 1.3811 1.9754 1.9754 1.9835 1.9835 2.3438 2.3438 2.4359 2.4359 3.1579 3.1579 3.2719 3.2719 3.2799 3.2799 3.4982 3.4982 3.5645 3.5645 3.6393 3.6393 4.6492 4.6492 4.6549 4.6549 4.9151 4.9151 4.9280 4.9280 10.6109 10.6109 k = 0.5183 0.2325 0.1312 ( 6180 PWs) bands (ev): -11.7220 -11.7220 -11.1207 -11.1207 -10.7347 -10.7347 -10.7334 -10.7334 -10.7099 -10.7099 -10.7091 -10.7091 -1.2004 -1.2004 -0.7135 -0.7135 -0.4588 -0.4588 -0.4538 -0.4538 -0.4230 -0.4230 -0.4104 -0.4104 0.1324 0.1324 0.2975 0.2975 0.3165 0.3165 0.3555 0.3555 0.6434 0.6434 0.6567 0.6567 0.8018 0.8018 1.3758 1.3758 1.9788 1.9788 1.9851 1.9851 2.3594 2.3594 2.4493 2.4493 3.1598 3.1598 3.2673 3.2673 3.2710 3.2710 3.4933 3.4933 3.5653 3.5653 3.6402 3.6402 4.6494 4.6494 4.6539 4.6539 4.9208 4.9208 4.9289 4.9289 10.6005 10.6005 k = 0.5092 0.2396 0.1484 ( 6180 PWs) bands (ev): -11.7237 -11.7237 -11.1217 -11.1217 -10.7278 -10.7278 -10.7265 -10.7265 -10.7151 -10.7151 -10.7144 -10.7144 -1.1968 -1.1968 -0.7067 -0.7067 -0.4609 -0.4609 -0.4562 -0.4562 -0.4279 -0.4279 -0.4129 -0.4129 0.1266 0.1266 0.3030 0.3030 0.3197 0.3197 0.3567 0.3567 0.6428 0.6428 0.6508 0.6508 0.7939 0.7939 1.3726 1.3726 1.9805 1.9805 1.9863 1.9863 2.3684 2.3684 2.4582 2.4582 3.1612 3.1612 3.2642 3.2642 3.2652 3.2652 3.4904 3.4904 3.5658 3.5658 3.6408 3.6408 4.6493 4.6493 4.6535 4.6535 4.9236 4.9236 4.9302 4.9302 10.5942 10.5942 k = 0.5000 0.2466 0.1656 ( 6180 PWs) bands (ev): -11.7243 -11.7243 -11.1221 -11.1221 -10.7230 -10.7230 -10.7202 -10.7202 -10.7201 -10.7201 -10.7194 -10.7194 -1.1956 -1.1956 -0.7044 -0.7044 -0.4619 -0.4619 -0.4571 -0.4571 -0.4293 -0.4293 -0.4136 -0.4136 0.1247 0.1247 0.3044 0.3044 0.3211 0.3211 0.3572 0.3572 0.6419 0.6419 0.6495 0.6495 0.7912 0.7912 1.3716 1.3716 1.9810 1.9810 1.9868 1.9868 2.3713 2.3713 2.4613 2.4613 3.1617 3.1617 3.2631 3.2631 3.2632 3.2632 3.4894 3.4894 3.5659 3.5659 3.6410 3.6410 4.6492 4.6492 4.6534 4.6534 4.9243 4.9243 4.9308 4.9308 10.5920 10.5920 k = 0.5000 0.2466 0.1656 ( 6180 PWs) bands (ev): -11.7243 -11.7243 -11.1221 -11.1221 -10.7230 -10.7230 -10.7202 -10.7202 -10.7201 -10.7201 -10.7194 -10.7194 -1.1956 -1.1956 -0.7044 -0.7044 -0.4619 -0.4619 -0.4571 -0.4571 -0.4293 -0.4293 -0.4136 -0.4136 0.1247 0.1247 0.3044 0.3044 0.3211 0.3211 0.3572 0.3572 0.6419 0.6419 0.6495 0.6495 0.7912 0.7912 1.3716 1.3716 1.9810 1.9810 1.9868 1.9868 2.3713 2.3713 2.4613 2.4613 3.1617 3.1617 3.2631 3.2631 3.2632 3.2632 3.4894 3.4894 3.5659 3.5659 3.6410 3.6410 4.6492 4.6492 4.6534 4.6534 4.9243 4.9243 4.9308 4.9308 10.5920 10.5920 k = 0.4821 0.2378 0.1597 ( 6171 PWs) bands (ev): -11.7250 -11.7250 -11.1212 -11.1212 -10.7230 -10.7230 -10.7202 -10.7202 -10.7201 -10.7201 -10.7193 -10.7193 -1.1953 -1.1953 -0.7073 -0.7073 -0.4727 -0.4727 -0.4468 -0.4468 -0.4370 -0.4370 -0.4064 -0.4064 0.1236 0.1236 0.3042 0.3042 0.3211 0.3211 0.3560 0.3560 0.6420 0.6420 0.6495 0.6495 0.7945 0.7945 1.3741 1.3741 1.9816 1.9816 1.9874 1.9874 2.3716 2.3716 2.4615 2.4615 3.1618 3.1618 3.2631 3.2631 3.2631 3.2631 3.4892 3.4892 3.5659 3.5659 3.6410 3.6410 4.6496 4.6496 4.6538 4.6538 4.9244 4.9244 4.9309 4.9309 10.5753 10.5753 k = 0.4643 0.2290 0.1538 ( 6189 PWs) bands (ev): -11.7270 -11.7270 -11.1186 -11.1186 -10.7230 -10.7230 -10.7202 -10.7202 -10.7202 -10.7202 -10.7193 -10.7193 -1.1947 -1.1947 -0.7158 -0.7158 -0.4858 -0.4858 -0.4496 -0.4496 -0.4351 -0.4351 -0.3952 -0.3952 0.1205 0.1205 0.3037 0.3037 0.3210 0.3210 0.3526 0.3526 0.6421 0.6421 0.6496 0.6496 0.8040 0.8040 1.3819 1.3819 1.9834 1.9834 1.9891 1.9891 2.3723 2.3723 2.4622 2.4622 3.1618 3.1618 3.2630 3.2630 3.2631 3.2631 3.4886 3.4886 3.5657 3.5657 3.6407 3.6407 4.6506 4.6506 4.6548 4.6548 4.9247 4.9247 4.9311 4.9311 10.5457 10.5457 k = 0.4464 0.2202 0.1478 ( 6183 PWs) bands (ev): -11.7303 -11.7303 -11.1145 -11.1145 -10.7230 -10.7230 -10.7203 -10.7203 -10.7202 -10.7202 -10.7192 -10.7192 -1.1935 -1.1935 -0.7298 -0.7298 -0.4992 -0.4992 -0.4631 -0.4631 -0.4242 -0.4242 -0.3842 -0.3842 0.1161 0.1161 0.3028 0.3028 0.3208 0.3208 0.3473 0.3473 0.6423 0.6423 0.6498 0.6498 0.8185 0.8185 1.3952 1.3952 1.9863 1.9863 1.9919 1.9919 2.3735 2.3735 2.4634 2.4634 3.1618 3.1618 3.2628 3.2628 3.2629 3.2629 3.4877 3.4877 3.5655 3.5655 3.6404 3.6404 4.6524 4.6524 4.6566 4.6566 4.9252 4.9252 4.9315 4.9315 10.5109 10.5109 k = 0.4286 0.2113 0.1419 ( 6177 PWs) bands (ev): -11.7349 -11.7349 -11.1088 -11.1088 -10.7230 -10.7230 -10.7203 -10.7203 -10.7201 -10.7201 -10.7190 -10.7190 -1.1920 -1.1920 -0.7491 -0.7491 -0.5125 -0.5125 -0.4767 -0.4767 -0.4143 -0.4143 -0.3741 -0.3741 0.1110 0.1110 0.3014 0.3014 0.3206 0.3206 0.3405 0.3405 0.6427 0.6427 0.6500 0.6500 0.8364 0.8364 1.4142 1.4142 1.9903 1.9903 1.9958 1.9958 2.3751 2.3751 2.4650 2.4650 3.1618 3.1618 3.2626 3.2626 3.2628 3.2628 3.4864 3.4864 3.5651 3.5651 3.6400 3.6400 4.6549 4.6549 4.6590 4.6590 4.9258 4.9258 4.9320 4.9320 10.4718 10.4718 k = 0.4107 0.2025 0.1360 ( 6177 PWs) bands (ev): -11.7405 -11.7405 -11.1017 -11.1017 -10.7230 -10.7230 -10.7204 -10.7204 -10.7201 -10.7201 -10.7189 -10.7189 -1.1900 -1.1900 -0.7730 -0.7730 -0.5257 -0.5257 -0.4901 -0.4901 -0.4056 -0.4056 -0.3651 -0.3651 0.1060 0.1060 0.2992 0.2992 0.3204 0.3204 0.3329 0.3329 0.6432 0.6432 0.6504 0.6504 0.8556 0.8556 1.4393 1.4393 1.9953 1.9953 2.0007 2.0007 2.3772 2.3772 2.4670 2.4670 3.1619 3.1619 3.2623 3.2623 3.2626 3.2626 3.4846 3.4846 3.5647 3.5647 3.6394 3.6394 4.6581 4.6581 4.6622 4.6622 4.9265 4.9265 4.9326 4.9326 10.4285 10.4285 k = 0.3929 0.1937 0.1301 ( 6177 PWs) bands (ev): -11.7471 -11.7471 -11.0933 -11.0933 -10.7229 -10.7229 -10.7204 -10.7204 -10.7200 -10.7200 -10.7187 -10.7187 -1.1876 -1.1876 -0.8012 -0.8012 -0.5385 -0.5385 -0.5033 -0.5033 -0.3982 -0.3982 -0.3574 -0.3574 0.1019 0.1019 0.2954 0.2954 0.3203 0.3203 0.3255 0.3255 0.6439 0.6439 0.6509 0.6509 0.8747 0.8747 1.4707 1.4707 2.0013 2.0013 2.0065 2.0065 2.3797 2.3797 2.4694 2.4694 3.1620 3.1620 3.2620 3.2620 3.2623 3.2623 3.4823 3.4823 3.5641 3.5641 3.6387 3.6387 4.6620 4.6620 4.6660 4.6660 4.9274 4.9274 4.9332 4.9332 10.3812 10.3812 k = 0.3750 0.1849 0.1242 ( 6180 PWs) bands (ev): -11.7545 -11.7545 -11.0839 -11.0839 -10.7229 -10.7229 -10.7205 -10.7205 -10.7199 -10.7199 -10.7186 -10.7186 -1.1848 -1.1848 -0.8330 -0.8330 -0.5509 -0.5509 -0.5160 -0.5160 -0.3924 -0.3924 -0.3513 -0.3513 0.0992 0.0992 0.2892 0.2892 0.3196 0.3196 0.3204 0.3204 0.6448 0.6448 0.6516 0.6516 0.8921 0.8921 1.5084 1.5084 2.0081 2.0081 2.0131 2.0131 2.3827 2.3827 2.4722 2.4722 3.1621 3.1621 3.2618 3.2618 3.2622 3.2622 3.4797 3.4797 3.5633 3.5633 3.6377 3.6377 4.6664 4.6664 4.6703 4.6703 4.9283 4.9283 4.9339 4.9339 10.3300 10.3300 k = 0.3571 0.1761 0.1183 ( 6159 PWs) bands (ev): -11.7625 -11.7625 -11.0736 -11.0736 -10.7229 -10.7229 -10.7205 -10.7205 -10.7198 -10.7198 -10.7185 -10.7185 -1.1817 -1.1817 -0.8676 -0.8676 -0.5627 -0.5627 -0.5282 -0.5282 -0.3881 -0.3881 -0.3468 -0.3468 0.0980 0.0980 0.2800 0.2800 0.3159 0.3159 0.3207 0.3207 0.6460 0.6460 0.6526 0.6526 0.9071 0.9071 1.5520 1.5520 2.0157 2.0157 2.0205 2.0205 2.3859 2.3859 2.4753 2.4753 3.1622 3.1622 3.2617 3.2617 3.2621 3.2621 3.4766 3.4766 3.5623 3.5623 3.6366 3.6366 4.6714 4.6714 4.6752 4.6752 4.9293 4.9293 4.9346 4.9346 10.2752 10.2752 k = 0.3393 0.1673 0.1124 ( 6156 PWs) bands (ev): -11.7710 -11.7710 -11.0626 -11.0626 -10.7229 -10.7229 -10.7205 -10.7205 -10.7197 -10.7197 -10.7183 -10.7183 -1.1783 -1.1783 -0.9044 -0.9044 -0.5739 -0.5739 -0.5397 -0.5397 -0.3855 -0.3855 -0.3441 -0.3441 0.0987 0.0987 0.2684 0.2684 0.3141 0.3141 0.3213 0.3213 0.6475 0.6475 0.6539 0.6539 0.9192 0.9192 1.6009 1.6009 2.0239 2.0239 2.0286 2.0286 2.3896 2.3896 2.4787 2.4787 3.1622 3.1622 3.2617 3.2617 3.2621 3.2621 3.4731 3.4731 3.5612 3.5612 3.6353 3.6353 4.6769 4.6769 4.6806 4.6806 4.9302 4.9302 4.9353 4.9353 10.2171 10.2171 k = 0.3214 0.1585 0.1064 ( 6162 PWs) bands (ev): -11.7799 -11.7799 -11.0511 -11.0511 -10.7228 -10.7228 -10.7205 -10.7205 -10.7197 -10.7197 -10.7182 -10.7182 -1.1747 -1.1747 -0.9427 -0.9427 -0.5843 -0.5843 -0.5504 -0.5504 -0.3847 -0.3847 -0.3431 -0.3431 0.1010 0.1010 0.2553 0.2553 0.3134 0.3134 0.3221 0.3221 0.6492 0.6492 0.6555 0.6555 0.9281 0.9281 1.6544 1.6544 2.0326 2.0326 2.0371 2.0371 2.3935 2.3935 2.4823 2.4823 3.1622 3.1622 3.2617 3.2617 3.2621 3.2621 3.4690 3.4690 3.5598 3.5598 3.6337 3.6337 4.6828 4.6828 4.6864 4.6864 4.9310 4.9310 4.9358 4.9358 10.1562 10.1562 k = 0.3036 0.1497 0.1005 ( 6150 PWs) bands (ev): -11.7889 -11.7889 -11.0392 -11.0392 -10.7227 -10.7227 -10.7205 -10.7205 -10.7196 -10.7196 -10.7181 -10.7181 -1.1711 -1.1711 -0.9816 -0.9816 -0.5939 -0.5939 -0.5602 -0.5602 -0.3856 -0.3856 -0.3440 -0.3440 0.1049 0.1049 0.2414 0.2414 0.3136 0.3136 0.3232 0.3232 0.6513 0.6513 0.6575 0.6575 0.9340 0.9340 1.7116 1.7116 2.0418 2.0418 2.0461 2.0461 2.3977 2.3977 2.4861 2.4861 3.1625 3.1625 3.2619 3.2619 3.2622 3.2622 3.4646 3.4646 3.5581 3.5581 3.6319 3.6319 4.6893 4.6893 4.6927 4.6927 4.9317 4.9317 4.9362 4.9362 10.0932 10.0932 k = 0.2857 0.1409 0.0946 ( 6150 PWs) bands (ev): -11.7981 -11.7981 -11.0271 -11.0271 -10.7227 -10.7227 -10.7205 -10.7205 -10.7195 -10.7195 -10.7179 -10.7179 -1.1676 -1.1676 -1.0205 -1.0205 -0.6025 -0.6025 -0.5692 -0.5692 -0.3882 -0.3882 -0.3465 -0.3465 0.1099 0.1099 0.2273 0.2273 0.3143 0.3143 0.3246 0.3246 0.6537 0.6537 0.6598 0.6598 0.9372 0.9372 1.7715 1.7715 2.0512 2.0512 2.0553 2.0553 2.4022 2.4022 2.4901 2.4901 3.1626 3.1626 3.2622 3.2622 3.2623 3.2623 3.4597 3.4597 3.5562 3.5562 3.6299 3.6299 4.6961 4.6961 4.6994 4.6994 4.9322 4.9322 4.9364 4.9364 10.0287 10.0287 k = 0.2679 0.1321 0.0887 ( 6162 PWs) bands (ev): -11.8072 -11.8072 -11.0150 -11.0150 -10.7226 -10.7226 -10.7204 -10.7204 -10.7195 -10.7195 -10.7178 -10.7178 -1.1648 -1.1648 -1.0582 -1.0582 -0.6103 -0.6103 -0.5771 -0.5771 -0.3924 -0.3924 -0.3507 -0.3507 0.1156 0.1156 0.2137 0.2137 0.3153 0.3153 0.3262 0.3262 0.6564 0.6564 0.6625 0.6625 0.9380 0.9380 1.8331 1.8331 2.0608 2.0608 2.0648 2.0648 2.4069 2.4069 2.4942 2.4942 3.1627 3.1627 3.2626 3.2626 3.2627 3.2627 3.4543 3.4543 3.5541 3.5541 3.6276 3.6276 4.7032 4.7032 4.7064 4.7064 4.9323 4.9323 4.9363 4.9363 9.9634 9.9634 k = 0.2500 0.1233 0.0828 ( 6173 PWs) bands (ev): -11.8161 -11.8161 -11.0029 -11.0029 -10.7225 -10.7225 -10.7204 -10.7204 -10.7194 -10.7194 -10.7178 -10.7178 -1.1643 -1.1643 -1.0929 -1.0929 -0.6170 -0.6170 -0.5841 -0.5841 -0.3980 -0.3980 -0.3564 -0.3564 0.1209 0.1209 0.2016 0.2016 0.3167 0.3167 0.3281 0.3281 0.6594 0.6594 0.6655 0.6655 0.9366 0.9366 1.8955 1.8955 2.0705 2.0705 2.0743 2.0743 2.4118 2.4118 2.4984 2.4984 3.1628 3.1628 3.2630 3.2630 3.2634 3.2634 3.4484 3.4484 3.5517 3.5517 3.6250 3.6250 4.7106 4.7106 4.7136 4.7136 4.9322 4.9322 4.9359 4.9359 9.8981 9.8981 k = 0.2321 0.1145 0.0769 ( 6176 PWs) bands (ev): -11.8249 -11.8249 -10.9912 -10.9912 -10.7223 -10.7223 -10.7203 -10.7203 -10.7194 -10.7194 -10.7177 -10.7177 -1.1712 -1.1712 -1.1188 -1.1188 -0.6226 -0.6226 -0.5900 -0.5900 -0.4050 -0.4050 -0.3635 -0.3635 0.1241 0.1241 0.1927 0.1927 0.3184 0.3184 0.3301 0.3301 0.6627 0.6627 0.6689 0.6689 0.9334 0.9334 1.9579 1.9579 2.0802 2.0802 2.0837 2.0837 2.4169 2.4169 2.5025 2.5025 3.1629 3.1629 3.2634 3.2634 3.2644 3.2644 3.4421 3.4421 3.5491 3.5491 3.6224 3.6224 4.7184 4.7184 4.7212 4.7212 4.9317 4.9317 4.9352 4.9352 9.8335 9.8335 k = 0.2143 0.1057 0.0710 ( 6173 PWs) bands (ev): -11.8332 -11.8332 -10.9798 -10.9798 -10.7222 -10.7222 -10.7202 -10.7202 -10.7194 -10.7194 -10.7176 -10.7176 -1.1922 -1.1922 -1.1291 -1.1291 -0.6272 -0.6272 -0.5948 -0.5948 -0.4131 -0.4131 -0.3717 -0.3717 0.1231 0.1231 0.1892 0.1892 0.3201 0.3201 0.3322 0.3322 0.6662 0.6662 0.6724 0.6724 0.9286 0.9286 2.0193 2.0193 2.0897 2.0897 2.0929 2.0929 2.4223 2.4223 2.5066 2.5066 3.1630 3.1630 3.2638 3.2638 3.2655 3.2655 3.4354 3.4354 3.5464 3.5464 3.6196 3.6196 4.7263 4.7263 4.7289 4.7289 4.9307 4.9307 4.9340 4.9340 9.7704 9.7704 k = 0.1964 0.0969 0.0650 ( 6173 PWs) bands (ev): -11.8412 -11.8412 -10.9688 -10.9688 -10.7221 -10.7221 -10.7201 -10.7201 -10.7193 -10.7193 -10.7176 -10.7176 -1.2212 -1.2212 -1.1297 -1.1297 -0.6308 -0.6308 -0.5986 -0.5986 -0.4222 -0.4222 -0.3809 -0.3809 0.1171 0.1171 0.1917 0.1917 0.3220 0.3220 0.3343 0.3343 0.6698 0.6698 0.6761 0.6761 0.9226 0.9226 2.0783 2.0783 2.0997 2.0997 2.1019 2.1019 2.4280 2.4280 2.5105 2.5105 3.1631 3.1631 3.2643 3.2643 3.2668 3.2668 3.4284 3.4284 3.5435 3.5435 3.6166 3.6166 4.7344 4.7344 4.7368 4.7368 4.9293 4.9293 4.9324 4.9324 9.7093 9.7093 k = 0.1786 0.0881 0.0591 ( 6170 PWs) bands (ev): -11.8487 -11.8487 -10.9585 -10.9585 -10.7219 -10.7219 -10.7200 -10.7200 -10.7193 -10.7193 -10.7175 -10.7175 -1.2513 -1.2513 -1.1270 -1.1270 -0.6333 -0.6333 -0.6014 -0.6014 -0.4320 -0.4320 -0.3907 -0.3907 0.1077 0.1077 0.1986 0.1986 0.3238 0.3238 0.3364 0.3364 0.6735 0.6735 0.6799 0.6799 0.9157 0.9157 2.1064 2.1064 2.1105 2.1105 2.1375 2.1375 2.4341 2.4341 2.5144 2.5144 3.1632 3.1632 3.2647 3.2647 3.2683 3.2683 3.4211 3.4211 3.5405 3.5405 3.6137 3.6137 4.7426 4.7426 4.7448 4.7448 4.9274 4.9274 4.9303 4.9303 9.6511 9.6511 k = 0.1607 0.0793 0.0532 ( 6173 PWs) bands (ev): -11.8556 -11.8556 -10.9489 -10.9489 -10.7218 -10.7218 -10.7199 -10.7199 -10.7194 -10.7194 -10.7175 -10.7175 -1.2801 -1.2801 -1.1235 -1.1235 -0.6348 -0.6348 -0.6031 -0.6031 -0.4423 -0.4423 -0.4011 -0.4011 0.0968 0.0968 0.2080 0.2080 0.3256 0.3256 0.3384 0.3384 0.6772 0.6772 0.6837 0.6837 0.9082 0.9082 2.1151 2.1151 2.1186 2.1186 2.1908 2.1908 2.4410 2.4410 2.5180 2.5180 3.1633 3.1633 3.2650 3.2650 3.2698 3.2698 3.4137 3.4137 3.5375 3.5375 3.6106 3.6106 4.7509 4.7509 4.7528 4.7528 4.9250 4.9250 4.9279 4.9279 9.5964 9.5964 k = 0.1429 0.0704 0.0473 ( 6170 PWs) bands (ev): -11.8619 -11.8619 -10.9400 -10.9400 -10.7216 -10.7216 -10.7198 -10.7198 -10.7194 -10.7194 -10.7175 -10.7175 -1.3068 -1.3068 -1.1196 -1.1196 -0.6354 -0.6354 -0.6039 -0.6039 -0.4528 -0.4528 -0.4117 -0.4117 0.0855 0.0855 0.2184 0.2184 0.3273 0.3273 0.3403 0.3403 0.6808 0.6808 0.6873 0.6873 0.9003 0.9003 2.1228 2.1228 2.1262 2.1262 2.2397 2.2397 2.4488 2.4488 2.5213 2.5213 3.1634 3.1634 3.2651 3.2651 3.2715 3.2715 3.4064 3.4064 3.5345 3.5345 3.6077 3.6077 4.7591 4.7591 4.7607 4.7607 4.9222 4.9222 4.9250 4.9250 9.5457 9.5457 k = 0.1250 0.0616 0.0414 ( 6194 PWs) bands (ev): -11.8676 -11.8676 -10.9320 -10.9320 -10.7215 -10.7215 -10.7197 -10.7197 -10.7195 -10.7195 -10.7175 -10.7175 -1.3309 -1.3309 -1.1159 -1.1159 -0.6351 -0.6351 -0.6039 -0.6039 -0.4634 -0.4634 -0.4223 -0.4223 0.0748 0.0748 0.2290 0.2290 0.3289 0.3289 0.3420 0.3420 0.6841 0.6841 0.6907 0.6907 0.8923 0.8923 2.1298 2.1298 2.1330 2.1330 2.2829 2.2829 2.4582 2.4582 2.5244 2.5244 3.1635 3.1635 3.2649 3.2649 3.2731 3.2731 3.3992 3.3992 3.5315 3.5315 3.6047 3.6047 4.7671 4.7671 4.7684 4.7684 4.9190 4.9190 4.9217 4.9217 9.4996 9.4996 k = 0.1071 0.0528 0.0355 ( 6197 PWs) bands (ev): -11.8727 -11.8727 -10.9249 -10.9249 -10.7213 -10.7213 -10.7196 -10.7196 -10.7195 -10.7195 -10.7175 -10.7175 -1.3523 -1.3523 -1.1123 -1.1123 -0.6341 -0.6341 -0.6031 -0.6031 -0.4736 -0.4736 -0.4325 -0.4325 0.0648 0.0648 0.2393 0.2393 0.3304 0.3304 0.3436 0.3436 0.6873 0.6873 0.6938 0.6938 0.8846 0.8846 2.1360 2.1360 2.1391 2.1391 2.3190 2.3190 2.4698 2.4698 2.5271 2.5271 3.1636 3.1636 3.2644 3.2644 3.2747 3.2747 3.3924 3.3924 3.5288 3.5288 3.6021 3.6021 4.7749 4.7749 4.7759 4.7759 4.9154 4.9154 4.9182 4.9182 9.4585 9.4585 k = 0.0893 0.0440 0.0296 ( 6203 PWs) bands (ev): -11.8769 -11.8769 -10.9188 -10.9188 -10.7211 -10.7211 -10.7196 -10.7196 -10.7195 -10.7195 -10.7175 -10.7175 -1.3706 -1.3706 -1.1091 -1.1091 -0.6325 -0.6325 -0.6018 -0.6018 -0.4832 -0.4832 -0.4421 -0.4421 0.0561 0.0561 0.2487 0.2487 0.3317 0.3317 0.3449 0.3449 0.6901 0.6901 0.6966 0.6966 0.8774 0.8774 2.1414 2.1414 2.1445 2.1445 2.3471 2.3471 2.4837 2.4837 2.5295 2.5295 3.1637 3.1637 3.2637 3.2637 3.2762 3.2762 3.3863 3.3863 3.5263 3.5263 3.5997 3.5997 4.7822 4.7822 4.7829 4.7829 4.9117 4.9117 4.9146 4.9146 9.4230 9.4230 k = 0.0714 0.0352 0.0237 ( 6206 PWs) bands (ev): -11.8805 -11.8805 -10.9137 -10.9137 -10.7210 -10.7210 -10.7197 -10.7197 -10.7194 -10.7194 -10.7176 -10.7176 -1.3857 -1.3857 -1.1064 -1.1064 -0.6305 -0.6305 -0.6001 -0.6001 -0.4919 -0.4919 -0.4507 -0.4507 0.0487 0.0487 0.2569 0.2569 0.3329 0.3329 0.3460 0.3460 0.6925 0.6925 0.6989 0.6989 0.8710 0.8710 2.1458 2.1458 2.1489 2.1489 2.3672 2.3672 2.4991 2.4991 2.5315 2.5315 3.1638 3.1638 3.2628 3.2628 3.2775 3.2775 3.3810 3.3810 3.5241 3.5241 3.5976 3.5976 4.7888 4.7888 4.7893 4.7893 4.9081 4.9081 4.9110 4.9110 9.3934 9.3934 k = 0.0536 0.0264 0.0177 ( 6206 PWs) bands (ev): -11.8833 -11.8833 -10.9098 -10.9098 -10.7208 -10.7208 -10.7198 -10.7198 -10.7193 -10.7193 -10.7176 -10.7176 -1.3976 -1.3976 -1.1042 -1.1042 -0.6285 -0.6285 -0.5983 -0.5983 -0.4993 -0.4993 -0.4579 -0.4579 0.0427 0.0427 0.2637 0.2637 0.3339 0.3339 0.3469 0.3469 0.6945 0.6945 0.7008 0.7008 0.8658 0.8658 2.1494 2.1494 2.1524 2.1524 2.3806 2.3806 2.5141 2.5141 2.5330 2.5330 3.1639 3.1639 3.2618 3.2618 3.2786 3.2786 3.3767 3.3767 3.5224 3.5224 3.5959 3.5959 4.7945 4.7945 4.7947 4.7947 4.9047 4.9047 4.9078 4.9078 9.3700 9.3700 k = 0.0357 0.0176 0.0118 ( 6215 PWs) bands (ev): -11.8853 -11.8853 -10.9069 -10.9069 -10.7207 -10.7207 -10.7199 -10.7199 -10.7192 -10.7192 -10.7176 -10.7176 -1.4062 -1.4062 -1.1026 -1.1026 -0.6267 -0.6267 -0.5968 -0.5968 -0.5050 -0.5050 -0.4634 -0.4634 0.0384 0.0384 0.2686 0.2686 0.3346 0.3346 0.3475 0.3475 0.6959 0.6959 0.7021 0.7021 0.8619 0.8619 2.1519 2.1519 2.1549 2.1549 2.3889 2.3889 2.5267 2.5267 2.5342 2.5342 3.1639 3.1639 3.2608 3.2608 3.2795 3.2795 3.3736 3.3736 3.5210 3.5210 3.5947 3.5947 4.7988 4.7988 4.7989 4.7989 4.9020 4.9020 4.9052 4.9052 9.3532 9.3532 k = 0.0179 0.0088 0.0059 ( 6200 PWs) bands (ev): -11.8865 -11.8865 -10.9052 -10.9052 -10.7205 -10.7205 -10.7200 -10.7200 -10.7192 -10.7192 -10.7176 -10.7176 -1.4114 -1.4114 -1.1016 -1.1016 -0.6254 -0.6254 -0.5957 -0.5957 -0.5086 -0.5086 -0.4669 -0.4669 0.0358 0.0358 0.2717 0.2717 0.3351 0.3351 0.3479 0.3479 0.6968 0.6968 0.7029 0.7029 0.8595 0.8595 2.1535 2.1535 2.1564 2.1564 2.3934 2.3934 2.5349 2.5349 2.5349 2.5349 3.1640 3.1640 3.2602 3.2602 3.2800 3.2800 3.3717 3.3717 3.5202 3.5202 3.5939 3.5939 4.8015 4.8015 4.8017 4.8017 4.9002 4.9002 4.9035 4.9035 9.3430 9.3430 k = 0.0000 0.0000 0.0000 ( 6203 PWs) bands (ev): -11.8869 -11.8869 -10.9046 -10.9046 -10.7205 -10.7205 -10.7200 -10.7200 -10.7192 -10.7192 -10.7176 -10.7176 -1.4131 -1.4131 -1.1013 -1.1013 -0.6250 -0.6250 -0.5953 -0.5953 -0.5098 -0.5098 -0.4681 -0.4681 0.0349 0.0349 0.2727 0.2727 0.3352 0.3352 0.3480 0.3480 0.6971 0.6971 0.7032 0.7032 0.8586 0.8586 2.1540 2.1540 2.1569 2.1569 2.3948 2.3948 2.5351 2.5351 2.5378 2.5378 3.1639 3.1639 3.2599 3.2599 3.2802 3.2802 3.3711 3.3711 3.5200 3.5200 3.5937 3.5937 4.8025 4.8025 4.8027 4.8027 4.8996 4.8996 4.9029 4.9029 9.3396 9.3396 k = 0.0000 0.0000 0.0000 ( 6203 PWs) bands (ev): -11.8869 -11.8869 -10.9046 -10.9046 -10.7205 -10.7205 -10.7200 -10.7200 -10.7192 -10.7192 -10.7176 -10.7176 -1.4131 -1.4131 -1.1013 -1.1013 -0.6250 -0.6250 -0.5953 -0.5953 -0.5098 -0.5098 -0.4681 -0.4681 0.0349 0.0349 0.2727 0.2727 0.3352 0.3352 0.3480 0.3480 0.6971 0.6971 0.7032 0.7032 0.8586 0.8586 2.1540 2.1540 2.1569 2.1569 2.3948 2.3948 2.5351 2.5351 2.5378 2.5378 3.1639 3.1639 3.2599 3.2599 3.2802 3.2802 3.3711 3.3711 3.5200 3.5200 3.5937 3.5937 4.8025 4.8025 4.8027 4.8027 4.8996 4.8996 4.9029 4.9029 9.3396 9.3396 k = 0.0093-0.0071-0.0175 ( 6213 PWs) bands (ev): -11.8863 -11.8863 -10.9043 -10.9043 -10.7246 -10.7246 -10.7236 -10.7236 -10.7157 -10.7157 -10.7146 -10.7146 -1.4125 -1.4125 -1.1044 -1.1044 -0.6231 -0.6231 -0.5930 -0.5930 -0.5109 -0.5109 -0.4695 -0.4695 0.0373 0.0373 0.2744 0.2744 0.3348 0.3348 0.3475 0.3475 0.6978 0.6978 0.7043 0.7043 0.8605 0.8605 2.1524 2.1524 2.1552 2.1552 2.3934 2.3934 2.5319 2.5319 2.5373 2.5373 3.1629 3.1629 3.2614 3.2614 3.2818 3.2818 3.3719 3.3719 3.5198 3.5198 3.5934 3.5934 4.8017 4.8017 4.8020 4.8020 4.8996 4.8996 4.9030 4.9030 9.3433 9.3433 k = 0.0186-0.0143-0.0349 ( 6211 PWs) bands (ev): -11.8844 -11.8844 -10.9036 -10.9036 -10.7299 -10.7299 -10.7288 -10.7288 -10.7122 -10.7122 -10.7112 -10.7112 -1.4108 -1.4108 -1.1132 -1.1132 -0.6203 -0.6203 -0.5839 -0.5839 -0.5143 -0.5143 -0.4735 -0.4735 0.0442 0.0442 0.2794 0.2794 0.3334 0.3334 0.3463 0.3463 0.6986 0.6986 0.7092 0.7092 0.8659 0.8659 2.1468 2.1468 2.1508 2.1508 2.3888 2.3888 2.5223 2.5223 2.5365 2.5365 3.1605 3.1605 3.2655 3.2655 3.2865 3.2865 3.3743 3.3743 3.5193 3.5193 3.5929 3.5929 4.7995 4.7995 4.8002 4.8002 4.8992 4.8992 4.9038 4.9038 9.3544 9.3544 k = 0.0279-0.0214-0.0524 ( 6203 PWs) bands (ev): -11.8812 -11.8812 -10.9023 -10.9023 -10.7358 -10.7358 -10.7345 -10.7345 -10.7093 -10.7093 -10.7082 -10.7082 -1.4079 -1.4079 -1.1267 -1.1267 -0.6201 -0.6201 -0.5654 -0.5654 -0.5197 -0.5197 -0.4792 -0.4792 0.0547 0.0547 0.2876 0.2876 0.3310 0.3310 0.3451 0.3451 0.6983 0.6983 0.7187 0.7187 0.8748 0.8748 2.1366 2.1366 2.1444 2.1444 2.3801 2.3801 2.5078 2.5078 2.5354 2.5354 3.1573 3.1573 3.2708 3.2708 3.2942 3.2942 3.3785 3.3785 3.5184 3.5184 3.5920 3.5920 4.7956 4.7956 4.7973 4.7973 4.8979 4.8979 4.9057 4.9057 9.3729 9.3729 k = 0.0372-0.0285-0.0698 ( 6194 PWs) bands (ev): -11.8768 -11.8768 -10.9005 -10.9005 -10.7426 -10.7426 -10.7407 -10.7407 -10.7070 -10.7070 -10.7056 -10.7056 -1.4040 -1.4040 -1.1438 -1.1438 -0.6228 -0.6228 -0.5404 -0.5404 -0.5258 -0.5258 -0.4857 -0.4857 0.0678 0.0678 0.2969 0.2969 0.3293 0.3293 0.3447 0.3447 0.6974 0.6974 0.7320 0.7320 0.8869 0.8869 2.1219 2.1219 2.1359 2.1359 2.3658 2.3658 2.4904 2.4904 2.5341 2.5341 3.1542 3.1542 3.2764 3.2764 3.3045 3.3045 3.3845 3.3845 3.5172 3.5172 3.5908 3.5908 4.7903 4.7903 4.7936 4.7936 4.8959 4.8959 4.9085 4.9085 9.3984 9.3984 k = 0.0465-0.0357-0.0873 ( 6192 PWs) bands (ev): -11.8712 -11.8712 -10.8982 -10.8982 -10.7500 -10.7500 -10.7474 -10.7474 -10.7053 -10.7053 -10.7035 -10.7035 -1.3989 -1.3989 -1.1631 -1.1631 -0.6275 -0.6275 -0.5394 -0.5394 -0.5067 -0.5067 -0.4894 -0.4894 0.0822 0.0822 0.3007 0.3007 0.3336 0.3336 0.3472 0.3472 0.6961 0.6961 0.7486 0.7486 0.9020 0.9020 2.1026 2.1026 2.1253 2.1253 2.3449 2.3449 2.4724 2.4724 2.5328 2.5328 3.1517 3.1517 3.2815 3.2815 3.3167 3.3167 3.3920 3.3920 3.5156 3.5156 3.5892 3.5892 4.7836 4.7836 4.7893 4.7893 4.8935 4.8935 4.9118 4.9118 9.4308 9.4308 k = 0.0558-0.0428-0.1047 ( 6194 PWs) bands (ev): -11.8643 -11.8643 -10.8954 -10.8954 -10.7583 -10.7583 -10.7546 -10.7546 -10.7042 -10.7042 -10.7018 -10.7018 -1.3928 -1.3928 -1.1835 -1.1835 -0.6337 -0.6337 -0.5502 -0.5502 -0.5033 -0.5033 -0.4624 -0.4624 0.0971 0.0971 0.2952 0.2952 0.3387 0.3387 0.3621 0.3621 0.6945 0.6945 0.7680 0.7680 0.9197 0.9197 2.0780 2.0780 2.1127 2.1127 2.3178 2.3178 2.4548 2.4548 2.5316 2.5316 3.1503 3.1503 3.2857 3.2857 3.3301 3.3301 3.4011 3.4011 3.5137 3.5137 3.5875 3.5875 4.7756 4.7756 4.7847 4.7847 4.8907 4.8907 4.9153 4.9153 9.4697 9.4697 k = 0.0651-0.0500-0.1222 ( 6190 PWs) bands (ev): -11.8562 -11.8562 -10.8922 -10.8922 -10.7673 -10.7673 -10.7622 -10.7622 -10.7036 -10.7036 -10.7005 -10.7005 -1.3856 -1.3856 -1.2043 -1.2043 -0.6411 -0.6411 -0.5617 -0.5617 -0.5099 -0.5099 -0.4215 -0.4215 0.1119 0.1119 0.2852 0.2852 0.3399 0.3399 0.3893 0.3893 0.6926 0.6926 0.7898 0.7898 0.9395 0.9395 2.0473 2.0473 2.0984 2.0984 2.2864 2.2864 2.4378 2.4378 2.5303 2.5303 3.1501 3.1501 3.2891 3.2891 3.3440 3.3440 3.4112 3.4112 3.5116 3.5116 3.5855 3.5855 4.7665 4.7665 4.7799 4.7799 4.8877 4.8877 4.9189 4.9189 9.5148 9.5148 k = 0.0744-0.0571-0.1397 ( 6178 PWs) bands (ev): -11.8469 -11.8469 -10.8885 -10.8885 -10.7770 -10.7770 -10.7703 -10.7703 -10.7034 -10.7034 -10.6997 -10.6997 -1.3775 -1.3775 -1.2248 -1.2248 -0.6497 -0.6497 -0.5729 -0.5729 -0.5171 -0.5171 -0.3774 -0.3774 0.1266 0.1266 0.2729 0.2729 0.3405 0.3405 0.4229 0.4229 0.6906 0.6906 0.8134 0.8134 0.9612 0.9612 2.0094 2.0094 2.0825 2.0825 2.2536 2.2536 2.4207 2.4207 2.5288 2.5288 3.1513 3.1513 3.2915 3.2915 3.3581 3.3581 3.4219 3.4219 3.5093 3.5093 3.5834 3.5834 4.7565 4.7565 4.7753 4.7753 4.8846 4.8846 4.9225 4.9225 9.5656 9.5656 k = 0.0837-0.0642-0.1571 ( 6190 PWs) bands (ev): -11.8365 -11.8365 -10.8843 -10.8843 -10.7875 -10.7875 -10.7789 -10.7789 -10.7037 -10.7037 -10.6993 -10.6993 -1.3685 -1.3685 -1.2445 -1.2445 -0.6593 -0.6593 -0.5832 -0.5832 -0.5243 -0.5243 -0.3313 -0.3313 0.1411 0.1411 0.2591 0.2591 0.3411 0.3411 0.4610 0.4610 0.6888 0.6888 0.8383 0.8383 0.9842 0.9842 1.9636 1.9636 2.0653 2.0653 2.2220 2.2220 2.4032 2.4032 2.5267 2.5267 3.1537 3.1537 3.2932 3.2932 3.3718 3.3718 3.4327 3.4327 3.5070 3.5070 3.5813 3.5813 4.7460 4.7460 4.7708 4.7708 4.8813 4.8813 4.9259 4.9259 9.6216 9.6216 k = 0.0930-0.0714-0.1746 ( 6198 PWs) bands (ev): -11.8248 -11.8248 -10.8797 -10.8797 -10.7986 -10.7986 -10.7879 -10.7879 -10.7044 -10.7044 -10.6992 -10.6992 -1.3586 -1.3586 -1.2630 -1.2630 -0.6696 -0.6696 -0.5920 -0.5920 -0.5313 -0.5313 -0.2842 -0.2842 0.1558 0.1558 0.2442 0.2442 0.3422 0.3422 0.5020 0.5020 0.6878 0.6878 0.8641 0.8641 1.0081 1.0081 1.9097 1.9097 2.0468 2.0468 2.1931 2.1931 2.3850 2.3850 2.5236 2.5236 3.1572 3.1572 3.2941 3.2941 3.3848 3.3848 3.4430 3.4430 3.5051 3.5051 3.5793 3.5793 4.7353 4.7353 4.7667 4.7667 4.8779 4.8779 4.9290 4.9290 9.6822 9.6822 k = 0.1023-0.0785-0.1920 ( 6194 PWs) bands (ev): -11.8121 -11.8121 -10.8747 -10.8747 -10.8105 -10.8105 -10.7974 -10.7974 -10.7055 -10.7055 -10.6996 -10.6996 -1.3480 -1.3480 -1.2800 -1.2800 -0.6803 -0.6803 -0.5994 -0.5994 -0.5379 -0.5379 -0.2368 -0.2368 0.1705 0.1705 0.2288 0.2288 0.3438 0.3438 0.5440 0.5440 0.6886 0.6886 0.8903 0.8903 1.0325 1.0325 1.8488 1.8488 2.0275 2.0275 2.1675 2.1675 2.3661 2.3661 2.5194 2.5194 3.1617 3.1617 3.2944 3.2944 3.3969 3.3969 3.4521 3.4521 3.5040 3.5040 3.5775 3.5775 4.7248 4.7248 4.7632 4.7632 4.8743 4.8743 4.9319 4.9319 9.7468 9.7468 k = 0.1116-0.0856-0.2095 ( 6196 PWs) bands (ev): -11.7982 -11.7982 -10.8693 -10.8693 -10.8230 -10.8230 -10.8072 -10.8072 -10.7070 -10.7070 -10.7003 -10.7003 -1.3371 -1.3371 -1.2949 -1.2949 -0.6911 -0.6911 -0.6052 -0.6052 -0.5439 -0.5439 -0.1897 -0.1897 0.1838 0.1838 0.2147 0.2147 0.3466 0.3466 0.5832 0.5832 0.6942 0.6942 0.9165 0.9165 1.0568 1.0568 1.7822 1.7822 2.0075 2.0075 2.1449 2.1449 2.3465 2.3465 2.5136 2.5136 3.1670 3.1670 3.2941 3.2941 3.4075 3.4075 3.4593 3.4593 3.5045 3.5045 3.5761 3.5761 4.7147 4.7147 4.7603 4.7603 4.8707 4.8707 4.9344 4.9344 9.8148 9.8148 k = 0.1209-0.0928-0.2270 ( 6198 PWs) bands (ev): -11.7832 -11.7832 -10.8636 -10.8636 -10.8362 -10.8362 -10.8173 -10.8173 -10.7088 -10.7088 -10.7014 -10.7014 -1.3274 -1.3274 -1.3061 -1.3061 -0.7018 -0.7018 -0.6096 -0.6096 -0.5490 -0.5490 -0.1438 -0.1438 0.1842 0.1842 0.2132 0.2132 0.3511 0.3511 0.6128 0.6128 0.7109 0.7109 0.9420 0.9420 1.0804 1.0804 1.7118 1.7118 1.9869 1.9869 2.1250 2.1250 2.3265 2.3265 2.5061 2.5061 3.1730 3.1730 3.2933 3.2933 3.4164 3.4164 3.4640 3.4640 3.5070 3.5070 3.5753 3.5753 4.7054 4.7054 4.7581 4.7581 4.8668 4.8668 4.9365 4.9365 9.8854 9.8854 k = 0.1302-0.0999-0.2444 ( 6198 PWs) bands (ev): -11.7672 -11.7672 -10.8577 -10.8577 -10.8499 -10.8499 -10.8278 -10.8278 -10.7109 -10.7109 -10.7029 -10.7029 -1.3274 -1.3274 -1.3051 -1.3051 -0.7119 -0.7119 -0.6128 -0.6128 -0.5527 -0.5527 -0.0999 -0.0999 0.1690 0.1690 0.2267 0.2267 0.3584 0.3584 0.6276 0.6276 0.7434 0.7434 0.9666 0.9666 1.1024 1.1024 1.6395 1.6395 1.9659 1.9659 2.1073 2.1073 2.3064 2.3064 2.4967 2.4967 3.1794 3.1794 3.2921 3.2921 3.4229 3.4229 3.4668 3.4668 3.5113 3.5113 3.5752 3.5752 4.6971 4.6971 4.7567 4.7567 4.8627 4.8627 4.9382 4.9382 9.9579 9.9579 k = 0.1395-0.1071-0.2619 ( 6208 PWs) bands (ev): -11.7501 -11.7501 -10.8643 -10.8643 -10.8518 -10.8518 -10.8380 -10.8380 -10.7134 -10.7134 -10.7046 -10.7046 -1.3352 -1.3352 -1.2937 -1.2937 -0.7214 -0.7214 -0.6151 -0.6151 -0.5548 -0.5548 -0.0586 -0.0586 0.1503 0.1503 0.2420 0.2420 0.3700 0.3700 0.6319 0.6319 0.7866 0.7866 0.9894 0.9894 1.1213 1.1213 1.5679 1.5679 1.9447 1.9447 2.0914 2.0914 2.2863 2.2863 2.4853 2.4853 3.1861 3.1861 3.2905 3.2905 3.4265 3.4265 3.4688 3.4688 3.5166 3.5166 3.5760 3.5760 4.6902 4.6902 4.7561 4.7561 4.8585 4.8585 4.9395 4.9395 10.0315 10.0315 k = 0.1488-0.1142-0.2793 ( 6208 PWs) bands (ev): -11.7321 -11.7321 -10.8791 -10.8791 -10.8523 -10.8523 -10.8421 -10.8421 -10.7160 -10.7160 -10.7066 -10.7066 -1.3427 -1.3427 -1.2801 -1.2801 -0.7301 -0.7301 -0.6168 -0.6168 -0.5546 -0.5546 -0.0206 -0.0206 0.1305 0.1305 0.2555 0.2555 0.3876 0.3876 0.6315 0.6315 0.8340 0.8340 1.0097 1.0097 1.1351 1.1351 1.5008 1.5008 1.9234 1.9234 2.0773 2.0773 2.2664 2.2664 2.4719 2.4719 3.1929 3.1929 3.2884 3.2884 3.4273 3.4273 3.4706 3.4706 3.5223 3.5223 3.5780 3.5780 4.6849 4.6849 4.7563 4.7563 4.8541 4.8541 4.9403 4.9403 10.1051 10.1051 k = 0.1581-0.1213-0.2968 ( 6212 PWs) bands (ev): -11.7131 -11.7131 -10.8944 -10.8944 -10.8626 -10.8626 -10.8363 -10.8363 -10.7190 -10.7190 -10.7089 -10.7089 -1.3486 -1.3486 -1.2656 -1.2656 -0.7379 -0.7379 -0.6182 -0.6182 -0.5518 -0.5518 0.0133 0.0133 0.1102 0.1102 0.2657 0.2657 0.4123 0.4123 0.6292 0.6292 0.8818 0.8818 1.0254 1.0254 1.1411 1.1411 1.4439 1.4439 1.9019 1.9019 2.0646 2.0646 2.2470 2.2470 2.4564 2.4564 3.1998 3.1998 3.2860 3.2860 3.4258 3.4258 3.4722 3.4722 3.5277 3.5277 3.5810 3.5810 4.6812 4.6812 4.7574 4.7574 4.8495 4.8495 4.9407 4.9407 10.1777 10.1777 k = 0.1674-0.1285-0.3142 ( 6220 PWs) bands (ev): -11.6932 -11.6932 -10.9101 -10.9101 -10.8741 -10.8741 -10.8293 -10.8293 -10.7221 -10.7221 -10.7115 -10.7115 -1.3525 -1.3525 -1.2505 -1.2505 -0.7447 -0.7447 -0.6195 -0.6195 -0.5460 -0.5460 0.0413 0.0413 0.0916 0.0916 0.2725 0.2725 0.4436 0.4436 0.6262 0.6262 0.9272 0.9272 1.0307 1.0307 1.1398 1.1398 1.4042 1.4042 1.8804 1.8804 2.0533 2.0533 2.2282 2.2282 2.4389 2.4389 3.2065 3.2065 3.2832 3.2832 3.4226 3.4226 3.4733 3.4733 3.5330 3.5330 3.5850 3.5850 4.6792 4.6792 4.7592 4.7592 4.8448 4.8448 4.9406 4.9406 10.2480 10.2480 k = 0.1767-0.1356-0.3317 ( 6232 PWs) bands (ev): -11.6724 -11.6724 -10.9262 -10.9262 -10.8860 -10.8860 -10.8220 -10.8220 -10.7255 -10.7255 -10.7143 -10.7143 -1.3545 -1.3545 -1.2349 -1.2349 -0.7505 -0.7505 -0.6206 -0.6206 -0.5372 -0.5372 0.0503 0.0503 0.0879 0.0879 0.2766 0.2766 0.4796 0.4796 0.6239 0.6239 0.9641 0.9641 1.0165 1.0165 1.1419 1.1419 1.3854 1.3854 1.8589 1.8589 2.0431 2.0431 2.2101 2.2101 2.4195 2.4195 3.2129 3.2129 3.2802 3.2802 3.4185 3.4185 3.4734 3.4734 3.5383 3.5383 3.5896 3.5896 4.6791 4.6791 4.7617 4.7617 4.8401 4.8401 4.9401 4.9401 10.3145 10.3145 k = 0.1860-0.1427-0.3492 ( 6220 PWs) bands (ev): -11.6509 -11.6509 -10.9426 -10.9426 -10.8981 -10.8981 -10.8145 -10.8145 -10.7290 -10.7290 -10.7173 -10.7173 -1.3545 -1.3545 -1.2190 -1.2190 -0.7552 -0.7552 -0.6216 -0.6216 -0.5255 -0.5255 0.0335 0.0335 0.1064 0.1064 0.2786 0.2786 0.5171 0.5171 0.6240 0.6240 0.9522 0.9522 1.0167 1.0167 1.1575 1.1575 1.3838 1.3838 1.8375 1.8375 2.0340 2.0340 2.1929 2.1929 2.3985 2.3985 3.2190 3.2190 3.2771 3.2771 3.4140 3.4140 3.4724 3.4724 3.5435 3.5435 3.5946 3.5946 4.6806 4.6806 4.7645 4.7645 4.8356 4.8356 4.9393 4.9393 10.3746 10.3746 k = 0.1953-0.1499-0.3666 ( 6216 PWs) bands (ev): -11.6286 -11.6286 -10.9593 -10.9593 -10.9104 -10.9104 -10.8068 -10.8068 -10.7327 -10.7327 -10.7205 -10.7205 -1.3524 -1.3524 -1.2027 -1.2027 -0.7590 -0.7590 -0.6222 -0.6222 -0.5109 -0.5109 0.0107 0.0107 0.1276 0.1276 0.2794 0.2794 0.5499 0.5499 0.6317 0.6317 0.8912 0.8912 1.0404 1.0404 1.1842 1.1842 1.3927 1.3927 1.8163 1.8163 2.0257 2.0257 2.1765 2.1765 2.3760 2.3760 3.2244 3.2244 3.2742 3.2742 3.4094 3.4094 3.4703 3.4703 3.5487 3.5487 3.5998 3.5998 4.6838 4.6838 4.7674 4.7674 4.8317 4.8317 4.9379 4.9379 10.4188 10.4188 k = 0.2046-0.1570-0.3841 ( 6218 PWs) bands (ev): -11.6055 -11.6055 -10.9762 -10.9762 -10.9227 -10.9227 -10.7991 -10.7991 -10.7366 -10.7366 -10.7239 -10.7239 -1.3484 -1.3484 -1.1862 -1.1862 -0.7617 -0.7617 -0.6223 -0.6223 -0.4936 -0.4936 -0.0139 -0.0139 0.1476 0.1476 0.2792 0.2792 0.5683 0.5683 0.6553 0.6553 0.8185 0.8185 1.0599 1.0599 1.2167 1.2167 1.4078 1.4078 1.7954 1.7954 2.0181 2.0181 2.1610 2.1610 2.3524 2.3524 3.2287 3.2287 3.2718 3.2718 3.4047 3.4047 3.4673 3.4673 3.5539 3.5539 3.6049 3.6049 4.6885 4.6885 4.7698 4.7698 4.8287 4.8287 4.9362 4.9362 10.4187 10.4187 k = 0.2139-0.1641-0.4015 ( 6218 PWs) bands (ev): -11.5819 -11.5819 -10.9933 -10.9933 -10.9351 -10.9351 -10.7913 -10.7913 -10.7405 -10.7405 -10.7275 -10.7275 -1.3424 -1.3424 -1.1696 -1.1696 -0.7635 -0.7635 -0.6218 -0.6218 -0.4738 -0.4738 -0.0396 -0.0396 0.1659 0.1659 0.2785 0.2785 0.5728 0.5728 0.6924 0.6924 0.7428 0.7428 1.0744 1.0744 1.2507 1.2507 1.4268 1.4268 1.7749 1.7749 2.0109 2.0109 2.1463 2.1463 2.3279 2.3279 3.2316 3.2316 3.2706 3.2706 3.4001 3.4001 3.4635 3.4635 3.5589 3.5589 3.6100 3.6100 4.6944 4.6944 4.7711 4.7711 4.8273 4.8273 4.9342 4.9342 10.3951 10.3951 k = 0.2232-0.1713-0.4190 ( 6214 PWs) bands (ev): -11.5576 -11.5576 -11.0104 -11.0104 -10.9475 -10.9475 -10.7837 -10.7837 -10.7445 -10.7445 -10.7311 -10.7311 -1.3345 -1.3345 -1.1529 -1.1529 -0.7644 -0.7644 -0.6206 -0.6206 -0.4516 -0.4516 -0.0661 -0.0661 0.1827 0.1827 0.2774 0.2774 0.5710 0.5710 0.6614 0.6614 0.7402 0.7402 1.0852 1.0852 1.2825 1.2825 1.4489 1.4489 1.7552 1.7552 2.0039 2.0039 2.1325 2.1325 2.3029 2.3029 3.2327 3.2327 3.2712 3.2712 3.3956 3.3956 3.4591 3.4591 3.5637 3.5637 3.6149 3.6149 4.7014 4.7014 4.7709 4.7709 4.8279 4.8279 4.9318 4.9318 10.3698 10.3698 k = 0.2325-0.1784-0.4365 ( 6210 PWs) bands (ev): -11.5329 -11.5329 -11.0277 -11.0277 -10.9599 -10.9599 -10.7762 -10.7762 -10.7485 -10.7485 -10.7348 -10.7348 -1.3249 -1.3249 -1.1362 -1.1362 -0.7645 -0.7645 -0.6187 -0.6187 -0.4273 -0.4273 -0.0934 -0.0934 0.1978 0.1978 0.2761 0.2761 0.5645 0.5645 0.5870 0.5870 0.7857 0.7857 1.0935 1.0935 1.3096 1.3096 1.4741 1.4741 1.7365 1.7365 1.9968 1.9968 2.1195 2.1195 2.2776 2.2776 3.2321 3.2321 3.2736 3.2736 3.3913 3.3913 3.4541 3.4541 3.5683 3.5683 3.6196 3.6196 4.7088 4.7088 4.7690 4.7690 4.8306 4.8306 4.9292 4.9292 10.3464 10.3464 k = 0.2418-0.1856-0.4539 ( 6210 PWs) bands (ev): -11.5077 -11.5077 -11.0449 -11.0449 -10.9722 -10.9722 -10.7692 -10.7692 -10.7522 -10.7522 -10.7385 -10.7385 -1.3135 -1.3135 -1.1196 -1.1196 -0.7639 -0.7639 -0.6159 -0.6159 -0.4009 -0.4009 -0.1215 -0.1215 0.2113 0.2113 0.2747 0.2747 0.5067 0.5067 0.5643 0.5643 0.8312 0.8312 1.1002 1.1002 1.3305 1.3305 1.5017 1.5017 1.7191 1.7191 1.9897 1.9897 2.1072 2.1072 2.2523 2.2523 3.2303 3.2303 3.2775 3.2775 3.3870 3.3870 3.4488 3.4488 3.5725 3.5725 3.6241 3.6241 4.7162 4.7162 4.7663 4.7663 4.8350 4.8350 4.9263 4.9263 10.3258 10.3258 k = 0.2511-0.1927-0.4714 ( 6216 PWs) bands (ev): -11.4821 -11.4821 -11.0621 -11.0621 -10.9843 -10.9843 -10.7640 -10.7640 -10.7548 -10.7548 -10.7419 -10.7419 -1.3004 -1.3004 -1.1033 -1.1033 -0.7629 -0.7629 -0.6123 -0.6123 -0.3728 -0.3728 -0.1501 -0.1501 0.2230 0.2230 0.2734 0.2734 0.4346 0.4346 0.5583 0.5583 0.8753 0.8753 1.1058 1.1058 1.3448 1.3448 1.5308 1.5308 1.7036 1.7036 1.9822 1.9822 2.0957 2.0957 2.2274 2.2274 3.2279 3.2279 3.2824 3.2824 3.3828 3.3828 3.4432 3.4432 3.5763 3.5763 3.6285 3.6285 4.7222 4.7222 4.7641 4.7641 4.8405 4.8405 4.9233 4.9233 10.3085 10.3085 k = 0.2604-0.1998-0.4888 ( 6208 PWs) bands (ev): -11.4563 -11.4563 -11.0791 -11.0791 -10.9963 -10.9963 -10.7641 -10.7641 -10.7536 -10.7536 -10.7438 -10.7438 -1.2859 -1.2859 -1.0875 -1.0875 -0.7616 -0.7616 -0.6079 -0.6079 -0.3432 -0.3432 -0.1790 -0.1790 0.2324 0.2324 0.2724 0.2724 0.3665 0.3665 0.5526 0.5526 0.9169 0.9169 1.1107 1.1107 1.3529 1.3529 1.5597 1.5597 1.6904 1.6904 1.9744 1.9744 2.0851 2.0851 2.2031 2.2031 3.2258 3.2258 3.2878 3.2878 3.3785 3.3785 3.4374 3.4374 3.5798 3.5798 3.6327 3.6327 4.7252 4.7252 4.7644 4.7644 4.8465 4.8465 4.9203 4.9203 10.2948 10.2948 k = 0.2697-0.2070-0.5063 ( 6208 PWs) bands (ev): -11.4302 -11.4302 -11.0960 -11.0960 -11.0079 -11.0079 -10.7675 -10.7675 -10.7540 -10.7540 -10.7413 -10.7413 -1.2701 -1.2701 -1.0724 -1.0724 -0.7602 -0.7602 -0.6026 -0.6026 -0.3127 -0.3127 -0.2074 -0.2074 0.2377 0.2377 0.2711 0.2711 0.3057 0.3057 0.5469 0.5469 0.9551 0.9551 1.1152 1.1152 1.3555 1.3555 1.5867 1.5867 1.6805 1.6805 1.9661 1.9661 2.0755 2.0755 2.1796 2.1796 3.2242 3.2242 3.2935 3.2935 3.3743 3.3743 3.4314 3.4314 3.5828 3.5828 3.6368 3.6368 4.7238 4.7238 4.7684 4.7684 4.8523 4.8523 4.9174 4.9174 10.2849 10.2849 k = 0.2790-0.2141-0.5237 ( 6212 PWs) bands (ev): -11.4041 -11.4041 -11.1127 -11.1127 -11.0193 -11.0193 -10.7716 -10.7716 -10.7571 -10.7571 -10.7357 -10.7357 -1.2531 -1.2531 -1.0583 -1.0583 -0.7589 -0.7589 -0.5966 -0.5966 -0.2845 -0.2845 -0.2321 -0.2321 0.2234 0.2234 0.2613 0.2613 0.2768 0.2768 0.5412 0.5412 0.9892 0.9892 1.1194 1.1194 1.3534 1.3534 1.6095 1.6095 1.6751 1.6751 1.9573 1.9573 2.0670 2.0670 2.1570 2.1570 3.2236 3.2236 3.2991 3.2991 3.3700 3.3700 3.4255 3.4255 3.5854 3.5854 3.6407 3.6407 4.7191 4.7191 4.7753 4.7753 4.8574 4.8574 4.9149 4.9149 10.2791 10.2791 k = 0.2883-0.2212-0.5412 ( 6206 PWs) bands (ev): -11.3781 -11.3781 -11.1290 -11.1290 -11.0301 -11.0301 -10.7758 -10.7758 -10.7608 -10.7608 -10.7295 -10.7295 -1.2352 -1.2352 -1.0457 -1.0457 -0.7580 -0.7580 -0.5899 -0.5899 -0.2796 -0.2796 -0.2317 -0.2317 0.1778 0.1778 0.2583 0.2583 0.2769 0.2769 0.5356 0.5356 1.0186 1.0186 1.1233 1.1233 1.3473 1.3473 1.6256 1.6256 1.6759 1.6759 1.9482 1.9482 2.0599 2.0599 2.1357 2.1357 3.2240 3.2240 3.3042 3.3042 3.3660 3.3660 3.4196 3.4196 3.5876 3.5876 3.6444 3.6444 4.7125 4.7125 4.7834 4.7834 4.8614 4.8614 4.9130 4.9130 10.2775 10.2775 k = 0.2976-0.2284-0.5587 ( 6202 PWs) bands (ev): -11.3523 -11.3523 -11.1451 -11.1451 -11.0405 -11.0405 -10.7800 -10.7800 -10.7648 -10.7648 -10.7235 -10.7235 -1.2168 -1.2168 -1.0349 -1.0349 -0.7575 -0.7575 -0.5825 -0.5825 -0.3011 -0.3011 -0.2026 -0.2026 0.1312 0.1312 0.2592 0.2592 0.2792 0.2792 0.5301 0.5301 1.0425 1.0425 1.1271 1.1271 1.3378 1.3378 1.6342 1.6342 1.6830 1.6830 1.9389 1.9389 2.0543 2.0543 2.1159 2.1159 3.2256 3.2256 3.3084 3.3084 3.3626 3.3626 3.4139 3.4139 3.5893 3.5893 3.6481 3.6481 4.7050 4.7050 4.7919 4.7919 4.8639 4.8639 4.9120 4.9120 10.2801 10.2801 k = 0.3069-0.2355-0.5761 ( 6200 PWs) bands (ev): -11.3268 -11.3268 -11.1608 -11.1608 -11.0502 -11.0502 -10.7841 -10.7841 -10.7688 -10.7688 -10.7177 -10.7177 -1.1983 -1.1983 -1.0266 -1.0266 -0.7574 -0.7574 -0.5746 -0.5746 -0.3246 -0.3246 -0.1688 -0.1688 0.0898 0.0898 0.2603 0.2603 0.2816 0.2816 0.5249 0.5249 1.0599 1.0599 1.1310 1.1310 1.3260 1.3260 1.6384 1.6384 1.6921 1.6921 1.9295 1.9295 2.0503 2.0503 2.0980 2.0980 3.2284 3.2284 3.3109 3.3109 3.3604 3.3604 3.4085 3.4085 3.5906 3.5906 3.6516 3.6516 4.6970 4.6970 4.8001 4.8001 4.8646 4.8646 4.9119 4.9119 10.2869 10.2869 k = 0.3162-0.2427-0.5936 ( 6202 PWs) bands (ev): -11.3021 -11.3021 -11.1761 -11.1761 -11.0589 -11.0589 -10.7883 -10.7883 -10.7727 -10.7727 -10.7123 -10.7123 -1.1802 -1.1802 -1.0214 -1.0214 -0.7573 -0.7573 -0.5662 -0.5662 -0.3457 -0.3457 -0.1349 -0.1349 0.0554 0.0554 0.2615 0.2615 0.2835 0.2835 0.5200 0.5200 1.0698 1.0698 1.1352 1.1352 1.3128 1.3128 1.6407 1.6407 1.6995 1.6995 1.9208 1.9208 2.0476 2.0476 2.0828 2.0828 3.2322 3.2322 3.3115 3.3115 3.3596 3.3596 3.4035 3.4035 3.5916 3.5916 3.6550 3.6550 4.6889 4.6889 4.8076 4.8076 4.8637 4.8637 4.9125 4.9125 10.2976 10.2976 k = 0.3255-0.2498-0.6110 ( 6202 PWs) bands (ev): -11.2783 -11.2783 -11.1908 -11.1908 -11.0665 -11.0665 -10.7923 -10.7923 -10.7767 -10.7767 -10.7073 -10.7073 -1.1637 -1.1637 -1.0193 -1.0193 -0.7565 -0.7565 -0.5575 -0.5575 -0.3632 -0.3632 -0.1037 -0.1037 0.0300 0.0300 0.2627 0.2627 0.2849 0.2849 0.5156 0.5156 1.0718 1.0718 1.1396 1.1396 1.2998 1.2998 1.6417 1.6417 1.7030 1.7030 1.9132 1.9132 2.0452 2.0452 2.0715 2.0715 3.2365 3.2365 3.3103 3.3103 3.3601 3.3601 3.3994 3.3994 3.5922 3.5922 3.6583 3.6583 4.6809 4.6809 4.8141 4.8141 4.8616 4.8616 4.9134 4.9134 10.3119 10.3119 k = 0.3348-0.2569-0.6285 ( 6218 PWs) bands (ev): -11.2560 -11.2560 -11.2050 -11.2050 -11.0726 -11.0726 -10.7963 -10.7963 -10.7805 -10.7805 -10.7029 -10.7029 -1.1505 -1.1505 -1.0196 -1.0196 -0.7542 -0.7542 -0.5486 -0.5486 -0.3768 -0.3768 -0.0811 -0.0811 0.0193 0.0193 0.2640 0.2640 0.2859 0.2859 0.5119 0.5119 1.0667 1.0667 1.1420 1.1420 1.2889 1.2889 1.6405 1.6405 1.7020 1.7020 1.9077 1.9077 2.0415 2.0415 2.0661 2.0661 3.2405 3.2405 3.3082 3.3082 3.3611 3.3611 3.3966 3.3966 3.5924 3.5924 3.6614 3.6614 4.6730 4.6730 4.8194 4.8194 4.8588 4.8588 4.9142 4.9142 10.3290 10.3290 k = 0.3441-0.2641-0.6459 ( 6216 PWs) bands (ev): -11.2363 -11.2363 -11.2182 -11.2182 -11.0764 -11.0764 -10.8001 -10.8001 -10.7843 -10.7843 -10.6990 -10.6990 -1.1432 -1.1432 -1.0202 -1.0202 -0.7497 -0.7497 -0.5394 -0.5394 -0.3868 -0.3868 -0.0744 -0.0744 0.0301 0.0301 0.2648 0.2648 0.2873 0.2873 0.5089 0.5089 1.0557 1.0557 1.1400 1.1400 1.2822 1.2822 1.6360 1.6360 1.6959 1.6959 1.9049 1.9049 2.0366 2.0366 2.0665 2.0665 3.2431 3.2431 3.3069 3.3069 3.3614 3.3614 3.3957 3.3957 3.5923 3.5923 3.6644 3.6644 4.6654 4.6654 4.8231 4.8231 4.8559 4.8559 4.9147 4.9147 10.3477 10.3477 k = 0.3534-0.2712-0.6634 ( 6208 PWs) bands (ev): -11.2333 -11.2333 -11.2171 -11.2171 -11.0771 -11.0771 -10.8038 -10.8038 -10.7879 -10.7879 -10.6957 -10.6957 -1.1448 -1.1448 -1.0179 -1.0179 -0.7426 -0.7426 -0.5300 -0.5300 -0.3936 -0.3936 -0.0790 -0.0790 0.0575 0.0575 0.2644 0.2644 0.2899 0.2899 0.5069 0.5069 1.0403 1.0403 1.1315 1.1315 1.2815 1.2815 1.6277 1.6277 1.6848 1.6848 1.9049 1.9049 2.0327 2.0327 2.0709 2.0709 3.2430 3.2430 3.3077 3.3077 3.3607 3.3607 3.3970 3.3970 3.5919 3.5919 3.6673 3.6673 4.6583 4.6583 4.8248 4.8248 4.8536 4.8536 4.9145 4.9145 10.3662 10.3662 k = 0.3627-0.2783-0.6809 ( 6202 PWs) bands (ev): -11.2453 -11.2453 -11.2044 -11.2044 -11.0739 -11.0739 -10.8073 -10.8073 -10.7915 -10.7915 -10.6931 -10.6931 -1.1566 -1.1566 -1.0106 -1.0106 -0.7330 -0.7330 -0.5202 -0.5202 -0.3984 -0.3984 -0.0855 -0.0855 0.0917 0.0917 0.2623 0.2623 0.2944 0.2944 0.5061 0.5061 1.0212 1.0212 1.1163 1.1163 1.2864 1.2864 1.6153 1.6153 1.6692 1.6692 1.9070 1.9070 2.0307 2.0307 2.0781 2.0781 3.2395 3.2395 3.3109 3.3109 3.3593 3.3593 3.4000 3.4000 3.5912 3.5912 3.6700 3.6700 4.6516 4.6516 4.8242 4.8242 4.8521 4.8521 4.9137 4.9137 10.3820 10.3820 k = 0.6373-0.0318-0.5153 ( 6202 PWs) bands (ev): -11.2453 -11.2453 -11.2044 -11.2044 -11.0739 -11.0739 -10.8073 -10.8073 -10.7915 -10.7915 -10.6931 -10.6931 -1.1566 -1.1566 -1.0106 -1.0106 -0.7330 -0.7330 -0.5202 -0.5202 -0.3985 -0.3985 -0.0855 -0.0855 0.0917 0.0917 0.2623 0.2623 0.2944 0.2944 0.5061 0.5061 1.0212 1.0212 1.1163 1.1163 1.2864 1.2864 1.6153 1.6153 1.6692 1.6692 1.9070 1.9070 2.0308 2.0308 2.0781 2.0781 3.2395 3.2395 3.3109 3.3109 3.3593 3.3593 3.4000 3.4000 3.5913 3.5913 3.6700 3.6700 4.6516 4.6516 4.8242 4.8242 4.8521 4.8521 4.9137 4.9137 10.3820 10.3820 k = 0.6281-0.0132-0.5153 ( 6196 PWs) bands (ev): -11.2569 -11.2569 -11.1958 -11.1958 -11.0665 -11.0665 -10.8106 -10.8106 -10.7948 -10.7948 -10.6911 -10.6911 -1.1763 -1.1763 -0.9996 -0.9996 -0.7214 -0.7214 -0.5103 -0.5103 -0.4020 -0.4020 -0.0900 -0.0900 0.1276 0.1276 0.2587 0.2587 0.3010 0.3010 0.5066 0.5066 0.9998 0.9998 1.0960 1.0960 1.2955 1.2955 1.5992 1.5992 1.6506 1.6506 1.9101 1.9101 2.0311 2.0311 2.0876 2.0876 3.2331 3.2331 3.3151 3.3151 3.3587 3.3587 3.4042 3.4042 3.5903 3.5903 3.6725 3.6725 4.6455 4.6455 4.8216 4.8216 4.8515 4.8515 4.9124 4.9124 10.3923 10.3923 k = 0.6190 0.0053-0.5153 ( 6200 PWs) bands (ev): -11.2679 -11.2679 -11.1913 -11.1913 -11.0550 -11.0550 -10.8137 -10.8137 -10.7980 -10.7980 -10.6897 -10.6897 -1.2012 -1.2012 -0.9863 -0.9863 -0.7081 -0.7081 -0.5001 -0.5001 -0.4051 -0.4051 -0.0913 -0.0913 0.1638 0.1638 0.2544 0.2544 0.3095 0.3095 0.5087 0.5087 0.9764 0.9764 1.0717 1.0717 1.3074 1.3074 1.5789 1.5789 1.6303 1.6303 1.9129 1.9129 2.0331 2.0331 2.0994 2.0994 3.2247 3.2247 3.3182 3.3182 3.3602 3.3602 3.4091 3.4091 3.5889 3.5889 3.6749 3.6749 4.6399 4.6399 4.8176 4.8176 4.8510 4.8510 4.9104 4.9104 10.3963 10.3963 k = 0.6098 0.0239-0.5153 ( 6202 PWs) bands (ev): -11.2782 -11.2782 -11.1900 -11.1900 -11.0406 -11.0406 -10.8167 -10.8167 -10.8010 -10.8010 -10.6890 -10.6890 -1.2290 -1.2290 -0.9724 -0.9724 -0.6937 -0.6937 -0.4896 -0.4896 -0.4081 -0.4081 -0.0895 -0.0895 0.1975 0.1975 0.2512 0.2512 0.3201 0.3201 0.5124 0.5124 0.9516 0.9516 1.0444 1.0444 1.3208 1.3208 1.5544 1.5544 1.6101 1.6101 1.9149 1.9149 2.0363 2.0363 2.1136 2.1136 3.2151 3.2151 3.3186 3.3186 3.3649 3.3649 3.4146 3.4146 3.5873 3.5873 3.6772 3.6772 4.6350 4.6350 4.8128 4.8128 4.8504 4.8504 4.9082 4.9082 10.3945 10.3945 k = 0.6007 0.0425-0.5153 ( 6198 PWs) bands (ev): -11.2878 -11.2878 -11.1909 -11.1909 -11.0243 -11.0243 -10.8195 -10.8195 -10.8038 -10.8038 -10.6890 -10.6890 -1.2580 -1.2580 -0.9586 -0.9586 -0.6787 -0.6787 -0.4792 -0.4792 -0.4110 -0.4110 -0.0848 -0.0848 0.2197 0.2197 0.2581 0.2581 0.3327 0.3327 0.5181 0.5181 0.9259 0.9259 1.0148 1.0148 1.3349 1.3349 1.5261 1.5261 1.5911 1.5911 1.9157 1.9157 2.0399 2.0399 2.1299 2.1299 3.2047 3.2047 3.3167 3.3167 3.3718 3.3718 3.4208 3.4208 3.5852 3.5852 3.6794 3.6794 4.6306 4.6306 4.8075 4.8075 4.8493 4.8493 4.9057 4.9057 10.3883 10.3883 k = 0.5915 0.0610-0.5153 ( 6188 PWs) bands (ev): -11.2967 -11.2967 -11.1930 -11.1930 -11.0071 -11.0071 -10.8220 -10.8220 -10.8064 -10.8064 -10.6896 -10.6896 -1.2869 -1.2869 -0.9455 -0.9455 -0.6634 -0.6634 -0.4691 -0.4691 -0.4137 -0.4137 -0.0777 -0.0777 0.2210 0.2210 0.2840 0.2840 0.3474 0.3474 0.5257 0.5257 0.8997 0.8997 0.9834 0.9834 1.3491 1.3491 1.4950 1.4950 1.5735 1.5735 1.9155 1.9155 2.0435 2.0435 2.1477 2.1477 3.1939 3.1939 3.3134 3.3134 3.3795 3.3795 3.4279 3.4279 3.5828 3.5828 3.6816 3.6816 4.6269 4.6269 4.8021 4.8021 4.8475 4.8475 4.9031 4.9031 10.3793 10.3793 k = 0.5824 0.0796-0.5153 ( 6184 PWs) bands (ev): -11.3048 -11.3048 -11.1958 -11.1958 -10.9899 -10.9899 -10.8244 -10.8244 -10.8088 -10.8088 -10.6907 -10.6907 -1.3148 -1.3148 -0.9333 -0.9333 -0.6485 -0.6485 -0.4600 -0.4600 -0.4155 -0.4155 -0.0690 -0.0690 0.2148 0.2148 0.3152 0.3152 0.3645 0.3645 0.5355 0.5355 0.8731 0.8731 0.9507 0.9507 1.3625 1.3625 1.4623 1.4623 1.5575 1.5575 1.9144 1.9144 2.0467 2.0467 2.1664 2.1664 3.1830 3.1830 3.3093 3.3093 3.3867 3.3867 3.4361 3.4361 3.5799 3.5799 3.6835 3.6835 4.6238 4.6238 4.7967 4.7967 4.8450 4.8450 4.9007 4.9007 10.3690 10.3690 k = 0.5732 0.0981-0.5153 ( 6188 PWs) bands (ev): -11.3121 -11.3121 -11.1988 -11.1988 -10.9730 -10.9730 -10.8265 -10.8265 -10.8110 -10.8110 -10.6925 -10.6925 -1.3410 -1.3410 -0.9224 -0.9224 -0.6342 -0.6342 -0.4533 -0.4533 -0.4151 -0.4151 -0.0592 -0.0592 0.2068 0.2068 0.3456 0.3456 0.3842 0.3842 0.5474 0.5474 0.8465 0.8465 0.9171 0.9171 1.3737 1.3737 1.4305 1.4305 1.5431 1.5431 1.9127 1.9127 2.0494 2.0494 2.1852 2.1852 3.1722 3.1722 3.3051 3.3051 3.3927 3.3927 3.4454 3.4454 3.5764 3.5764 3.6854 3.6854 4.6212 4.6212 4.7915 4.7915 4.8421 4.8421 4.8984 4.8984 10.3581 10.3581 k = 0.5641 0.1167-0.5153 ( 6202 PWs) bands (ev): -11.3186 -11.3186 -11.2018 -11.2018 -10.9569 -10.9569 -10.8284 -10.8284 -10.8129 -10.8129 -10.6947 -10.6947 -1.3651 -1.3651 -0.9127 -0.9127 -0.6209 -0.6209 -0.4499 -0.4499 -0.4115 -0.4115 -0.0490 -0.0490 0.1982 0.1982 0.3736 0.3736 0.4065 0.4065 0.5613 0.5613 0.8200 0.8200 0.8831 0.8831 1.3742 1.3742 1.4087 1.4087 1.5301 1.5301 1.9107 1.9107 2.0517 2.0517 2.2035 2.2035 3.1619 3.1619 3.3009 3.3009 3.3974 3.3974 3.4556 3.4556 3.5724 3.5724 3.6870 3.6870 4.6191 4.6191 4.7866 4.7866 4.8386 4.8386 4.8964 4.8964 10.3475 10.3475 k = 0.5549 0.1352-0.5153 ( 6208 PWs) bands (ev): -11.3243 -11.3243 -11.2047 -11.2047 -10.9419 -10.9419 -10.8300 -10.8300 -10.8147 -10.8147 -10.6973 -10.6973 -1.3866 -1.3866 -0.9044 -0.9044 -0.6089 -0.6089 -0.4495 -0.4495 -0.4052 -0.4052 -0.0388 -0.0388 0.1897 0.1897 0.3995 0.3995 0.4304 0.4304 0.5769 0.5769 0.7934 0.7934 0.8497 0.8497 1.3512 1.3512 1.4102 1.4102 1.5186 1.5186 1.9085 1.9085 2.0535 2.0535 2.2206 2.2206 3.1522 3.1522 3.2971 3.2971 3.4010 3.4010 3.4664 3.4664 3.5678 3.5678 3.6886 3.6886 4.6176 4.6176 4.7821 4.7821 4.8351 4.8351 4.8947 4.8947 10.3375 10.3375 k = 0.5458 0.1538-0.5153 ( 6198 PWs) bands (ev): -11.3291 -11.3291 -11.2072 -11.2072 -10.9284 -10.9284 -10.8314 -10.8314 -10.8162 -10.8162 -10.7000 -10.7000 -1.4053 -1.4053 -0.8973 -0.8973 -0.5985 -0.5985 -0.4509 -0.4509 -0.3976 -0.3976 -0.0292 -0.0292 0.1816 0.1816 0.4240 0.4240 0.4546 0.4546 0.5937 0.5937 0.7667 0.7667 0.8177 0.8177 1.3221 1.3221 1.4187 1.4187 1.5086 1.5086 1.9064 1.9064 2.0549 2.0549 2.2361 2.2361 3.1435 3.1435 3.2937 3.2937 3.4037 3.4037 3.4773 3.4773 3.5627 3.5627 3.6899 3.6899 4.6164 4.6164 4.7782 4.7782 4.8315 4.8315 4.8933 4.8933 10.3287 10.3287 k = 0.5366 0.1723-0.5153 ( 6198 PWs) bands (ev): -11.3330 -11.3330 -11.2094 -11.2094 -10.9167 -10.9167 -10.8325 -10.8325 -10.8175 -10.8175 -10.7028 -10.7028 -1.4208 -1.4208 -0.8916 -0.8916 -0.5898 -0.5898 -0.4527 -0.4527 -0.3901 -0.3901 -0.0207 -0.0207 0.1743 0.1743 0.4473 0.4473 0.4783 0.4783 0.6106 0.6106 0.7395 0.7395 0.7884 0.7884 1.2946 1.2946 1.4272 1.4272 1.5001 1.5001 1.9045 1.9045 2.0559 2.0559 2.2494 2.2494 3.1359 3.1359 3.2909 3.2909 3.4057 3.4057 3.4882 3.4882 3.5570 3.5570 3.6911 3.6911 4.6156 4.6156 4.7748 4.7748 4.8282 4.8282 4.8922 4.8922 10.3211 10.3211 k = 0.5275 0.1909-0.5153 ( 6196 PWs) bands (ev): -11.3361 -11.3361 -11.2111 -11.2111 -10.9071 -10.9071 -10.8334 -10.8334 -10.8185 -10.8185 -10.7053 -10.7053 -1.4331 -1.4331 -0.8872 -0.8872 -0.5829 -0.5829 -0.4546 -0.4546 -0.3836 -0.3836 -0.0135 -0.0135 0.1680 0.1680 0.4682 0.4682 0.5015 0.5015 0.6260 0.6260 0.7124 0.7124 0.7632 0.7632 1.2711 1.2711 1.4347 1.4347 1.4930 1.4930 1.9028 1.9028 2.0567 2.0567 2.2602 2.2602 3.1298 3.1298 3.2885 3.2885 3.4070 3.4070 3.4987 3.4987 3.5506 3.5506 3.6920 3.6920 4.6151 4.6151 4.7721 4.7721 4.8254 4.8254 4.8914 4.8914 10.3151 10.3151 k = 0.5183 0.2095-0.5153 ( 6206 PWs) bands (ev): -11.3383 -11.3383 -11.2124 -11.2124 -10.8999 -10.8999 -10.8340 -10.8340 -10.8193 -10.8193 -10.7073 -10.7073 -1.4420 -1.4420 -0.8840 -0.8840 -0.5779 -0.5779 -0.4560 -0.4560 -0.3786 -0.3786 -0.0080 -0.0080 0.1632 0.1632 0.4850 0.4850 0.5242 0.5242 0.6369 0.6369 0.6885 0.6885 0.7430 0.7430 1.2529 1.2529 1.4406 1.4406 1.4876 1.4876 1.9016 1.9016 2.0572 2.0572 2.2681 2.2681 3.1251 3.1251 3.2868 3.2868 3.4080 3.4080 3.5089 3.5089 3.5435 3.5435 3.6926 3.6926 4.6147 4.6147 4.7702 4.7702 4.8232 4.8232 4.8907 4.8907 10.3106 10.3106 k = 0.5092 0.2280-0.5153 ( 6198 PWs) bands (ev): -11.3396 -11.3396 -11.2131 -11.2131 -10.8955 -10.8955 -10.8344 -10.8344 -10.8197 -10.8197 -10.7087 -10.7087 -1.4473 -1.4473 -0.8822 -0.8822 -0.5749 -0.5749 -0.4569 -0.4569 -0.3755 -0.3755 -0.0046 -0.0046 0.1602 0.1602 0.4957 0.4957 0.5441 0.5441 0.6371 0.6371 0.6758 0.6758 0.7289 0.7289 1.2414 1.2414 1.4445 1.4445 1.4840 1.4840 1.9009 1.9009 2.0574 2.0574 2.2730 2.2730 3.1224 3.1224 3.2858 3.2858 3.4085 3.4085 3.5185 3.5185 3.5358 3.5358 3.6931 3.6931 4.6146 4.6146 4.7690 4.7690 4.8219 4.8219 4.8904 4.8904 10.3080 10.3080 k = 0.5000 0.2466-0.5153 ( 6192 PWs) bands (ev): -11.3401 -11.3401 -11.2134 -11.2134 -10.8940 -10.8940 -10.8345 -10.8345 -10.8199 -10.8199 -10.7092 -10.7092 -1.4491 -1.4491 -0.8815 -0.8815 -0.5739 -0.5739 -0.4572 -0.4572 -0.3744 -0.3744 -0.0034 -0.0034 0.1592 0.1592 0.4994 0.4994 0.5534 0.5534 0.6324 0.6324 0.6744 0.6744 0.7236 0.7236 1.2375 1.2375 1.4459 1.4459 1.4828 1.4828 1.9006 1.9006 2.0575 2.0575 2.2746 2.2746 3.1214 3.1214 3.2855 3.2855 3.4087 3.4087 3.5273 3.5273 3.5276 3.5276 3.6932 3.6932 4.6145 4.6145 4.7686 4.7686 4.8214 4.8214 4.8903 4.8903 10.3071 10.3071 k = 0.5000 0.2466-0.5153 ( 6192 PWs) bands (ev): -11.3401 -11.3401 -11.2134 -11.2134 -10.8940 -10.8940 -10.8345 -10.8345 -10.8199 -10.8199 -10.7092 -10.7092 -1.4491 -1.4491 -0.8815 -0.8815 -0.5739 -0.5739 -0.4572 -0.4572 -0.3744 -0.3744 -0.0034 -0.0034 0.1592 0.1592 0.4994 0.4994 0.5534 0.5534 0.6324 0.6324 0.6744 0.6744 0.7236 0.7236 1.2375 1.2375 1.4459 1.4459 1.4828 1.4828 1.9006 1.9006 2.0575 2.0575 2.2746 2.2746 3.1214 3.1214 3.2855 3.2855 3.4087 3.4087 3.5273 3.5273 3.5276 3.5276 3.6932 3.6932 4.6145 4.6145 4.7686 4.7686 4.8214 4.8214 4.8903 4.8903 10.3071 10.3071 k = 0.5125 0.2527-0.5002 ( 6200 PWs) bands (ev): -11.3405 -11.3405 -11.2130 -11.2130 -10.8939 -10.8939 -10.8410 -10.8410 -10.8134 -10.8134 -10.7092 -10.7092 -1.4492 -1.4492 -0.8808 -0.8808 -0.5738 -0.5738 -0.4583 -0.4583 -0.3733 -0.3733 -0.0035 -0.0035 0.1584 0.1584 0.4950 0.4950 0.5504 0.5504 0.6329 0.6329 0.6768 0.6768 0.7283 0.7283 1.2384 1.2384 1.4450 1.4450 1.4826 1.4826 1.9006 1.9006 2.0572 2.0572 2.2742 2.2742 3.1212 3.1212 3.2858 3.2858 3.4085 3.4085 3.5221 3.5221 3.5334 3.5334 3.6932 3.6932 4.6145 4.6145 4.7676 4.7676 4.8218 4.8218 4.8905 4.8905 10.3061 10.3061 k = 0.5250 0.2589-0.4852 ( 6206 PWs) bands (ev): -11.3417 -11.3417 -11.2118 -11.2118 -10.8934 -10.8934 -10.8516 -10.8516 -10.8029 -10.8029 -10.7094 -10.7094 -1.4494 -1.4494 -0.8785 -0.8785 -0.5732 -0.5732 -0.4616 -0.4616 -0.3702 -0.3702 -0.0037 -0.0037 0.1562 0.1562 0.4829 0.4829 0.5426 0.5426 0.6320 0.6320 0.6859 0.6859 0.7411 0.7411 1.2409 1.2409 1.4424 1.4424 1.4822 1.4822 1.9004 1.9004 2.0562 2.0562 2.2729 2.2729 3.1207 3.1207 3.2865 3.2865 3.4081 3.4081 3.5173 3.5173 3.5398 3.5398 3.6933 3.6933 4.6146 4.6146 4.7648 4.7648 4.8230 4.8230 4.8910 4.8910 10.3033 10.3033 k = 0.5374 0.2650-0.4701 ( 6198 PWs) bands (ev): -11.3438 -11.3438 -11.2097 -11.2097 -10.8928 -10.8928 -10.8626 -10.8626 -10.7920 -10.7920 -10.7097 -10.7097 -1.4498 -1.4498 -0.8749 -0.8749 -0.5723 -0.5723 -0.4667 -0.4667 -0.3652 -0.3652 -0.0040 -0.0040 0.1526 0.1526 0.4656 0.4656 0.5320 0.5320 0.6275 0.6275 0.7020 0.7020 0.7591 0.7591 1.2450 1.2450 1.4383 1.4383 1.4813 1.4813 1.9001 1.9001 2.0547 2.0547 2.2709 2.2709 3.1200 3.1200 3.2878 3.2878 3.4075 3.4075 3.5132 3.5132 3.5466 3.5466 3.6934 3.6934 4.6148 4.6148 4.7605 4.7605 4.8249 4.8249 4.8919 4.8919 10.2989 10.2989 k = 0.5499 0.2712-0.4551 ( 6196 PWs) bands (ev): -11.3467 -11.3467 -11.2069 -11.2069 -10.8921 -10.8921 -10.8733 -10.8733 -10.7811 -10.7811 -10.7101 -10.7101 -1.4502 -1.4502 -0.8700 -0.8700 -0.5710 -0.5710 -0.4734 -0.4734 -0.3586 -0.3586 -0.0045 -0.0045 0.1475 0.1475 0.4455 0.4455 0.5201 0.5201 0.6201 0.6201 0.7227 0.7227 0.7803 0.7803 1.2507 1.2507 1.4327 1.4327 1.4800 1.4800 1.8997 1.8997 2.0525 2.0525 2.2683 2.2683 3.1191 3.1191 3.2895 3.2895 3.4068 3.4068 3.5098 3.5098 3.5537 3.5537 3.6936 3.6936 4.6149 4.6149 4.7549 4.7549 4.8272 4.8272 4.8928 4.8928 10.2928 10.2928 k = 0.5624 0.2773-0.4400 ( 6206 PWs) bands (ev): -11.3505 -11.3505 -11.2033 -11.2033 -10.8921 -10.8921 -10.8826 -10.8826 -10.7706 -10.7706 -10.7107 -10.7107 -1.4508 -1.4508 -0.8641 -0.8641 -0.5692 -0.5692 -0.4815 -0.4815 -0.3507 -0.3507 -0.0053 -0.0053 0.1409 0.1409 0.4240 0.4240 0.5079 0.5079 0.6106 0.6106 0.7462 0.7462 0.8033 0.8033 1.2578 1.2578 1.4257 1.4257 1.4782 1.4782 1.8994 1.8994 2.0499 2.0499 2.2650 2.2650 3.1179 3.1179 3.2916 3.2916 3.4061 3.4061 3.5068 3.5068 3.5608 3.5608 3.6937 3.6937 4.6152 4.6152 4.7483 4.7483 4.8300 4.8300 4.8938 4.8938 10.2856 10.2856 k = 0.5749 0.2835-0.4250 ( 6197 PWs) bands (ev): -11.3552 -11.3552 -11.1989 -11.1989 -10.8972 -10.8972 -10.8861 -10.8861 -10.7604 -10.7604 -10.7113 -10.7113 -1.4514 -1.4514 -0.8573 -0.8573 -0.5669 -0.5669 -0.4906 -0.4906 -0.3416 -0.3416 -0.0065 -0.0065 0.1330 0.1330 0.4020 0.4020 0.4960 0.4960 0.5995 0.5995 0.7711 0.7711 0.8273 0.8273 1.2660 1.2660 1.4175 1.4175 1.4759 1.4759 1.8991 1.8991 2.0470 2.0470 2.2613 2.2613 3.1166 3.1166 3.2941 3.2941 3.4055 3.4055 3.5044 3.5044 3.5679 3.5679 3.6939 3.6939 4.6155 4.6155 4.7410 4.7410 4.8330 4.8330 4.8946 4.8946 10.2774 10.2774 k = 0.5873 0.2896-0.4099 ( 6198 PWs) bands (ev): -11.3608 -11.3608 -11.1939 -11.1939 -10.9060 -10.9060 -10.8851 -10.8851 -10.7507 -10.7507 -10.7120 -10.7120 -1.4520 -1.4520 -0.8501 -0.8501 -0.5642 -0.5642 -0.5003 -0.5003 -0.3315 -0.3315 -0.0081 -0.0081 0.1239 0.1239 0.3804 0.3804 0.4848 0.4848 0.5872 0.5872 0.7968 0.7968 0.8517 0.8517 1.2753 1.2753 1.4081 1.4081 1.4731 1.4731 1.8990 1.8990 2.0438 2.0438 2.2573 2.2573 3.1154 3.1154 3.2968 3.2968 3.4050 3.4050 3.5024 3.5024 3.5748 3.5748 3.6941 3.6941 4.6159 4.6159 4.7333 4.7333 4.8363 4.8363 4.8952 4.8952 10.2687 10.2687 k = 0.5998 0.2958-0.3949 ( 6199 PWs) bands (ev): -11.3673 -11.3673 -11.1882 -11.1882 -10.9147 -10.9147 -10.8831 -10.8831 -10.7415 -10.7415 -10.7128 -10.7128 -1.4526 -1.4526 -0.8428 -0.8428 -0.5615 -0.5615 -0.5097 -0.5097 -0.3207 -0.3207 -0.0104 -0.0104 0.1136 0.1136 0.3595 0.3595 0.4743 0.4743 0.5738 0.5738 0.8228 0.8228 0.8761 0.8761 1.2855 1.2855 1.3977 1.3977 1.4701 1.4701 1.8992 1.8992 2.0405 2.0405 2.2532 2.2532 3.1141 3.1141 3.2997 3.2997 3.4048 3.4048 3.5007 3.5007 3.5813 3.5813 3.6941 3.6941 4.6163 4.6163 4.7255 4.7255 4.8397 4.8397 4.8955 4.8955 10.2600 10.2600 k = 0.6123 0.3020-0.3798 ( 6199 PWs) bands (ev): -11.3748 -11.3748 -11.1819 -11.1819 -10.9228 -10.9228 -10.8807 -10.8807 -10.7329 -10.7329 -10.7136 -10.7136 -1.4531 -1.4531 -0.8358 -0.8358 -0.5603 -0.5603 -0.5171 -0.5171 -0.3095 -0.3095 -0.0134 -0.0134 0.1025 0.1025 0.3396 0.3396 0.4647 0.4647 0.5596 0.5596 0.8486 0.8486 0.9001 0.9001 1.2962 1.2962 1.3864 1.3864 1.4669 1.4669 1.8996 1.8996 2.0373 2.0373 2.2490 2.2490 3.1130 3.1130 3.3027 3.3027 3.4048 3.4048 3.4994 3.4994 3.5874 3.5874 3.6941 3.6941 4.6167 4.6167 4.7176 4.7176 4.8430 4.8430 4.8956 4.8956 10.2517 10.2517 k = 0.6248 0.3081-0.3648 ( 6202 PWs) bands (ev): -11.3832 -11.3832 -11.1749 -11.1749 -10.9301 -10.9301 -10.8779 -10.8779 -10.7251 -10.7251 -10.7141 -10.7141 -1.4534 -1.4534 -0.8296 -0.8296 -0.5633 -0.5633 -0.5193 -0.5193 -0.2982 -0.2982 -0.0173 -0.0173 0.0909 0.0909 0.3210 0.3210 0.4559 0.4559 0.5449 0.5449 0.8740 0.8740 0.9236 0.9236 1.3071 1.3071 1.3746 1.3746 1.4639 1.4639 1.9004 1.9004 2.0344 2.0344 2.2450 2.2450 3.1121 3.1121 3.3059 3.3059 3.4050 3.4050 3.4983 3.4983 3.5931 3.5931 3.6939 3.6939 4.6173 4.6173 4.7099 4.7099 4.8463 4.8463 4.8955 4.8955 10.2442 10.2442 k = 0.6373 0.3143-0.3497 ( 6194 PWs) bands (ev): -11.3927 -11.3927 -11.1674 -11.1674 -10.9365 -10.9365 -10.8749 -10.8749 -10.7197 -10.7197 -10.7130 -10.7130 -1.4536 -1.4536 -0.8247 -0.8247 -0.5715 -0.5715 -0.5148 -0.5148 -0.2871 -0.2871 -0.0223 -0.0223 0.0793 0.0793 0.3037 0.3037 0.4477 0.4477 0.5299 0.5299 0.8985 0.8985 0.9463 0.9463 1.3171 1.3171 1.3632 1.3632 1.4613 1.4613 1.9015 1.9015 2.0319 2.0319 2.2412 2.2412 3.1113 3.1113 3.3090 3.3090 3.4055 3.4055 3.4973 3.4973 3.5982 3.5982 3.6935 3.6935 4.6179 4.6179 4.7025 4.7025 4.8492 4.8492 4.8954 4.8954 10.2381 10.2381 k = 0.6373 0.3143-0.3497 ( 6194 PWs) bands (ev): -11.3927 -11.3927 -11.1674 -11.1674 -10.9365 -10.9365 -10.8749 -10.8749 -10.7197 -10.7197 -10.7130 -10.7130 -1.4536 -1.4536 -0.8247 -0.8247 -0.5715 -0.5715 -0.5148 -0.5148 -0.2871 -0.2871 -0.0223 -0.0223 0.0793 0.0793 0.3037 0.3037 0.4477 0.4477 0.5299 0.5299 0.8985 0.8985 0.9463 0.9463 1.3171 1.3171 1.3632 1.3632 1.4613 1.4613 1.9015 1.9015 2.0319 2.0319 2.2412 2.2412 3.1113 3.1113 3.3090 3.3090 3.4055 3.4055 3.4973 3.4973 3.5982 3.5982 3.6935 3.6935 4.6179 4.6179 4.7025 4.7025 4.8492 4.8492 4.8954 4.8954 10.2381 10.2381 k = 0.6320 0.3117-0.3299 ( 6193 PWs) bands (ev): -11.4123 -11.4123 -11.1446 -11.1446 -10.9480 -10.9480 -10.8721 -10.8721 -10.7169 -10.7169 -10.7085 -10.7085 -1.4464 -1.4464 -0.8259 -0.8259 -0.5670 -0.5670 -0.5095 -0.5095 -0.2767 -0.2767 -0.0446 -0.0446 0.0938 0.0938 0.2822 0.2822 0.4401 0.4401 0.5166 0.5166 0.9102 0.9102 0.9825 0.9825 1.3136 1.3136 1.3482 1.3482 1.4438 1.4438 1.9037 1.9037 2.0204 2.0204 2.2367 2.2367 3.1127 3.1127 3.3204 3.3204 3.4073 3.4073 3.4968 3.4968 3.5994 3.5994 3.6932 3.6932 4.6128 4.6128 4.6981 4.6981 4.8501 4.8501 4.8935 4.8935 10.2635 10.2635 k = 0.6267 0.3091-0.3101 ( 6197 PWs) bands (ev): -11.4325 -11.4325 -11.1210 -11.1210 -10.9595 -10.9595 -10.8689 -10.8689 -10.7150 -10.7150 -10.7034 -10.7034 -1.4382 -1.4382 -0.8294 -0.8294 -0.5625 -0.5625 -0.5051 -0.5051 -0.2633 -0.2633 -0.0674 -0.0674 0.1084 0.1084 0.2615 0.2615 0.4272 0.4272 0.5089 0.5089 0.9139 0.9139 1.0245 1.0245 1.2839 1.2839 1.3533 1.3533 1.4316 1.4316 1.9056 1.9056 2.0087 2.0087 2.2332 2.2332 3.1147 3.1147 3.3318 3.3318 3.4091 3.4091 3.4966 3.4966 3.6002 3.6002 3.6921 3.6921 4.6084 4.6084 4.6939 4.6939 4.8501 4.8501 4.8919 4.8919 10.2916 10.2916 k = 0.6214 0.3065-0.2902 ( 6191 PWs) bands (ev): -11.4529 -11.4529 -11.0971 -11.0971 -10.9709 -10.9709 -10.8653 -10.8653 -10.7132 -10.7132 -10.6984 -10.6984 -1.4292 -1.4292 -0.8347 -0.8347 -0.5579 -0.5579 -0.5013 -0.5013 -0.2470 -0.2470 -0.0896 -0.0896 0.1209 0.1209 0.2421 0.2421 0.4100 0.4100 0.5065 0.5065 0.9131 0.9131 1.0630 1.0630 1.2562 1.2562 1.3487 1.3487 1.4322 1.4322 1.9073 1.9073 1.9972 1.9972 2.2307 2.2307 3.1172 3.1172 3.3428 3.3428 3.4110 3.4110 3.4966 3.4966 3.6007 3.6007 3.6903 3.6903 4.6049 4.6049 4.6900 4.6900 4.8486 4.8486 4.8911 4.8911 10.3216 10.3216 k = 0.6161 0.3038-0.2704 ( 6199 PWs) bands (ev): -11.4732 -11.4732 -11.0731 -11.0731 -10.9821 -10.9821 -10.8613 -10.8613 -10.7115 -10.7115 -10.6938 -10.6938 -1.4195 -1.4195 -0.8413 -0.8413 -0.5533 -0.5533 -0.4978 -0.4978 -0.2284 -0.2284 -0.1111 -0.1111 0.1289 0.1289 0.2256 0.2256 0.3903 0.3903 0.5078 0.5078 0.9081 0.9081 1.0841 1.0841 1.2472 1.2472 1.3316 1.3316 1.4447 1.4447 1.9086 1.9086 1.9862 1.9862 2.2293 2.2293 3.1201 3.1201 3.3529 3.3529 3.4127 3.4127 3.4969 3.4969 3.6008 3.6008 3.6876 3.6876 4.6024 4.6024 4.6865 4.6865 4.8457 4.8457 4.8914 4.8914 10.3529 10.3529 k = 0.6109 0.3012-0.2506 ( 6189 PWs) bands (ev): -11.4932 -11.4932 -11.0494 -11.0494 -10.9931 -10.9931 -10.8569 -10.8569 -10.7097 -10.7097 -10.6896 -10.6896 -1.4092 -1.4092 -0.8485 -0.8485 -0.5485 -0.5485 -0.4944 -0.4944 -0.2079 -0.2079 -0.1314 -0.1314 0.1287 0.1287 0.2154 0.2154 0.3699 0.3699 0.5114 0.5114 0.8986 0.8986 1.0759 1.0759 1.2673 1.2673 1.3109 1.3109 1.4618 1.4618 1.9096 1.9096 1.9764 1.9764 2.2289 2.2289 3.1234 3.1234 3.3616 3.3616 3.4143 3.4143 3.4978 3.4978 3.6009 3.6009 3.6841 3.6841 4.6011 4.6011 4.6833 4.6833 4.8415 4.8415 4.8927 4.8927 10.3847 10.3847 k = 0.6056 0.2986-0.2308 ( 6188 PWs) bands (ev): -11.5127 -11.5127 -11.0259 -11.0259 -11.0038 -11.0038 -10.8522 -10.8522 -10.7079 -10.7079 -10.6859 -10.6859 -1.3983 -1.3983 -0.8556 -0.8556 -0.5435 -0.5435 -0.4909 -0.4909 -0.1875 -0.1875 -0.1493 -0.1493 0.1176 0.1176 0.2141 0.2141 0.3497 0.3497 0.5167 0.5167 0.8834 0.8834 1.0493 1.0493 1.2716 1.2716 1.3256 1.3256 1.4794 1.4794 1.9101 1.9101 1.9686 1.9686 2.2295 2.2295 3.1268 3.1268 3.3683 3.3683 3.4155 3.4155 3.4993 3.4993 3.6008 3.6008 3.6798 3.6798 4.6009 4.6009 4.6806 4.6806 4.8365 4.8365 4.8948 4.8948 10.4162 10.4162 k = 0.6003 0.2960-0.2110 ( 6196 PWs) bands (ev): -11.5317 -11.5317 -11.0143 -11.0143 -11.0029 -11.0029 -10.8471 -10.8471 -10.7060 -10.7060 -10.6827 -10.6827 -1.3870 -1.3870 -0.8621 -0.8621 -0.5384 -0.5384 -0.4873 -0.4873 -0.1803 -0.1803 -0.1521 -0.1521 0.0977 0.0977 0.2192 0.2192 0.3304 0.3304 0.5231 0.5231 0.8610 0.8610 1.0184 1.0184 1.2456 1.2456 1.3785 1.3785 1.4958 1.4958 1.9102 1.9102 1.9635 1.9635 2.2312 2.2312 3.1302 3.1302 3.3728 3.3728 3.4162 3.4162 3.5015 3.5015 3.6008 3.6008 3.6746 3.6746 4.6021 4.6021 4.6784 4.6784 4.8310 4.8310 4.8973 4.8973 10.4469 10.4469 k = 0.5950 0.2934-0.1912 ( 6192 PWs) bands (ev): -11.5501 -11.5501 -11.0244 -11.0244 -10.9805 -10.9805 -10.8416 -10.8416 -10.7042 -10.7042 -10.6800 -10.6800 -1.3754 -1.3754 -0.8673 -0.8673 -0.5331 -0.5331 -0.4835 -0.4835 -0.1948 -0.1948 -0.1318 -0.1318 0.0729 0.0729 0.2273 0.2273 0.3123 0.3123 0.5303 0.5303 0.8308 0.8308 0.9895 0.9895 1.2163 1.2163 1.4355 1.4355 1.5121 1.5121 1.9100 1.9100 1.9616 1.9616 2.2342 2.2342 3.1335 3.1335 3.3749 3.3749 3.4161 3.4161 3.5045 3.5045 3.6009 3.6009 3.6685 3.6685 4.6045 4.6045 4.6768 4.6768 4.8256 4.8256 4.9002 4.9002 10.4759 10.4759 k = 0.5897 0.2908-0.1713 ( 6194 PWs) bands (ev): -11.5678 -11.5678 -11.0342 -11.0342 -10.9586 -10.9586 -10.8359 -10.8359 -10.7025 -10.7025 -10.6779 -10.6779 -1.3635 -1.3635 -0.8709 -0.8709 -0.5276 -0.5276 -0.4795 -0.4795 -0.2123 -0.2123 -0.1082 -0.1082 0.0460 0.0460 0.2361 0.2361 0.2957 0.2957 0.5378 0.5378 0.7936 0.7936 0.9642 0.9642 1.1862 1.1862 1.4820 1.4820 1.5378 1.5378 1.9104 1.9104 1.9627 1.9627 2.2386 2.2386 3.1367 3.1367 3.3748 3.3748 3.4147 3.4147 3.5083 3.5083 3.6012 3.6012 3.6617 3.6617 4.6080 4.6080 4.6757 4.6757 4.8207 4.8207 4.9033 4.9033 10.5028 10.5028 k = 0.5845 0.2882-0.1515 ( 6200 PWs) bands (ev): -11.5848 -11.5848 -11.0435 -11.0435 -10.9375 -10.9375 -10.8299 -10.8299 -10.7008 -10.7008 -10.6763 -10.6763 -1.3516 -1.3516 -0.8725 -0.8725 -0.5219 -0.5219 -0.4754 -0.4754 -0.2298 -0.2298 -0.0865 -0.0865 0.0200 0.0200 0.2446 0.2446 0.2810 0.2810 0.5453 0.5453 0.7518 0.7518 0.9417 0.9417 1.1557 1.1557 1.5007 1.5007 1.5880 1.5880 1.9120 1.9120 1.9665 1.9665 2.2445 2.2445 3.1396 3.1396 3.3729 3.3729 3.4116 3.4116 3.5128 3.5128 3.6016 3.6016 3.6541 3.6541 4.6123 4.6123 4.6750 4.6750 4.8167 4.8167 4.9062 4.9062 10.5270 10.5270 k = 0.5792 0.2856-0.1317 ( 6192 PWs) bands (ev): -11.6009 -11.6009 -11.0525 -11.0525 -10.9171 -10.9171 -10.8236 -10.8236 -10.6992 -10.6992 -10.6753 -10.6753 -1.3395 -1.3395 -0.8718 -0.8718 -0.5161 -0.5161 -0.4712 -0.4712 -0.2470 -0.2470 -0.0748 -0.0748 0.0031 0.0031 0.2514 0.2514 0.2693 0.2693 0.5520 0.5520 0.7080 0.7080 0.9206 0.9206 1.1253 1.1253 1.5040 1.5040 1.6489 1.6489 1.9154 1.9154 1.9726 1.9726 2.2521 2.2521 3.1422 3.1422 3.3693 3.3693 3.4067 3.4067 3.5179 3.5179 3.6018 3.6018 3.6462 3.6462 4.6171 4.6171 4.6749 4.6749 4.8141 4.8141 4.9092 4.9092 10.5483 10.5483 k = 0.5739 0.2830-0.1119 ( 6201 PWs) bands (ev): -11.6162 -11.6162 -11.0610 -11.0610 -10.8975 -10.8975 -10.8171 -10.8171 -10.6978 -10.6978 -10.6748 -10.6748 -1.3274 -1.3274 -0.8687 -0.8687 -0.5101 -0.5101 -0.4672 -0.4672 -0.2638 -0.2638 -0.0860 -0.0860 0.0083 0.0083 0.2506 0.2506 0.2662 0.2662 0.5564 0.5564 0.6656 0.6656 0.8999 0.8999 1.0951 1.0951 1.5008 1.5008 1.7107 1.7107 1.9209 1.9209 1.9811 1.9811 2.2615 2.2615 3.1444 3.1444 3.3645 3.3645 3.4000 3.4000 3.5233 3.5233 3.6012 3.6012 3.6384 3.6384 4.6220 4.6220 4.6750 4.6750 4.8134 4.8134 4.9119 4.9119 10.5664 10.5664 k = 0.5686 0.2804-0.0921 ( 6195 PWs) bands (ev): -11.6306 -11.6306 -11.0691 -11.0691 -10.8787 -10.8787 -10.8105 -10.8105 -10.6966 -10.6966 -10.6749 -10.6749 -1.3153 -1.3153 -0.8630 -0.8630 -0.5040 -0.5040 -0.4632 -0.4632 -0.2802 -0.2802 -0.1136 -0.1136 0.0294 0.0294 0.2425 0.2425 0.2713 0.2713 0.5540 0.5540 0.6304 0.6304 0.8788 0.8788 1.0652 1.0652 1.4937 1.4937 1.7695 1.7695 1.9285 1.9285 1.9928 1.9928 2.2727 2.2727 3.1463 3.1463 3.3586 3.3586 3.3918 3.3918 3.5286 3.5286 3.5988 3.5988 3.6320 3.6320 4.6266 4.6266 4.6751 4.6751 4.8151 4.8151 4.9145 4.9145 10.5815 10.5815 k = 0.5634 0.2778-0.0722 ( 6201 PWs) bands (ev): -11.6441 -11.6441 -11.0766 -11.0766 -10.8609 -10.8609 -10.8036 -10.8036 -10.6957 -10.6957 -10.6755 -10.6755 -1.3032 -1.3032 -0.8549 -0.8549 -0.4978 -0.4978 -0.4595 -0.4595 -0.2961 -0.2961 -0.1469 -0.1469 0.0558 0.0558 0.2343 0.2343 0.2772 0.2772 0.5356 0.5356 0.6123 0.6123 0.8571 0.8571 1.0357 1.0357 1.4837 1.4837 1.8218 1.8218 1.9378 1.9378 2.0098 2.0098 2.2857 2.2857 3.1477 3.1477 3.3516 3.3516 3.3823 3.3823 3.5336 3.5336 3.5935 3.5935 3.6281 3.6281 4.6308 4.6308 4.6748 4.6748 4.8194 4.8194 4.9169 4.9169 10.5936 10.5936 k = 0.5581 0.2752-0.0524 ( 6199 PWs) bands (ev): -11.6566 -11.6566 -11.0836 -11.0836 -10.8439 -10.8439 -10.7966 -10.7966 -10.6950 -10.6950 -10.6767 -10.6767 -1.2912 -1.2912 -0.8445 -0.8445 -0.4916 -0.4916 -0.4561 -0.4561 -0.3115 -0.3115 -0.1820 -0.1820 0.0838 0.0838 0.2268 0.2268 0.2830 0.2830 0.5036 0.5036 0.6099 0.6099 0.8347 0.8347 1.0067 1.0067 1.4718 1.4718 1.8639 1.8639 1.9477 1.9477 2.0356 2.0356 2.3002 2.3002 3.1489 3.1489 3.3438 3.3438 3.3718 3.3718 3.5381 3.5381 3.5853 3.5853 3.6269 3.6269 4.6345 4.6345 4.6739 4.6739 4.8265 4.8265 4.9189 4.9189 10.6030 10.6030 k = 0.5528 0.2726-0.0326 ( 6185 PWs) bands (ev): -11.6681 -11.6681 -11.0901 -11.0901 -10.8279 -10.8279 -10.7896 -10.7896 -10.6947 -10.6947 -10.6784 -10.6784 -1.2792 -1.2792 -0.8321 -0.8321 -0.4856 -0.4856 -0.4531 -0.4531 -0.3265 -0.3265 -0.2176 -0.2176 0.1123 0.1123 0.2199 0.2199 0.2882 0.2882 0.4688 0.4688 0.6134 0.6134 0.8118 0.8118 0.9783 0.9783 1.4589 1.4589 1.8944 1.8944 1.9569 1.9569 2.0719 2.0719 2.3159 2.3159 3.1498 3.1498 3.3352 3.3352 3.3607 3.3607 3.5417 3.5417 3.5755 3.5755 3.6275 3.6275 4.6376 4.6376 4.6724 4.6724 4.8359 4.8359 4.9208 4.9208 10.6100 10.6100 k = 0.5475 0.2700-0.0128 ( 6178 PWs) bands (ev): -11.6786 -11.6786 -11.0961 -11.0961 -10.8128 -10.8128 -10.7824 -10.7824 -10.6948 -10.6948 -10.6806 -10.6806 -1.2672 -1.2672 -0.8179 -0.8179 -0.4797 -0.4797 -0.4505 -0.4505 -0.3409 -0.3409 -0.2528 -0.2528 0.1403 0.1403 0.2131 0.2131 0.2930 0.2930 0.4362 0.4362 0.6185 0.6185 0.7886 0.7886 0.9505 0.9505 1.4454 1.4454 1.9157 1.9157 1.9642 1.9642 2.1159 2.1159 2.3325 2.3325 3.1506 3.1506 3.3260 3.3260 3.3492 3.3492 3.5433 3.5433 3.5661 3.5661 3.6290 3.6290 4.6403 4.6403 4.6702 4.6702 4.8472 4.8472 4.9224 4.9224 10.6149 10.6149 k = 0.5422 0.2674 0.0070 ( 6182 PWs) bands (ev): -11.6881 -11.6881 -11.1014 -11.1014 -10.7987 -10.7987 -10.7752 -10.7752 -10.6953 -10.6953 -10.6833 -10.6833 -1.2555 -1.2555 -0.8023 -0.8023 -0.4741 -0.4741 -0.4485 -0.4485 -0.3548 -0.3548 -0.2867 -0.2867 0.1663 0.1663 0.2069 0.2069 0.2974 0.2974 0.4082 0.4082 0.6238 0.6238 0.7654 0.7654 0.9237 0.9237 1.4321 1.4321 1.9315 1.9315 1.9699 1.9699 2.1631 2.1631 2.3498 2.3498 3.1513 3.1513 3.3162 3.3162 3.3373 3.3373 3.5404 3.5404 3.5604 3.5604 3.6308 3.6308 4.6426 4.6426 4.6675 4.6675 4.8596 4.8596 4.9237 4.9237 10.6182 10.6182 k = 0.5370 0.2648 0.0269 ( 6180 PWs) bands (ev): -11.6965 -11.6965 -11.1062 -11.1062 -10.7856 -10.7856 -10.7681 -10.7681 -10.6963 -10.6963 -10.6865 -10.6865 -1.2440 -1.2440 -0.7859 -0.7859 -0.4690 -0.4690 -0.4471 -0.4471 -0.3679 -0.3679 -0.3188 -0.3188 0.1818 0.1818 0.2086 0.2086 0.3014 0.3014 0.3861 0.3861 0.6289 0.6289 0.7427 0.7427 0.8979 0.8979 1.4194 1.4194 1.9440 1.9440 1.9741 1.9741 2.2095 2.2095 2.3674 2.3674 3.1521 3.1521 3.3062 3.3062 3.3254 3.3254 3.5322 3.5322 3.5596 3.5596 3.6328 3.6328 4.6445 4.6445 4.6646 4.6646 4.8724 4.8724 4.9248 4.9248 10.6201 10.6201 k = 0.5317 0.2622 0.0467 ( 6184 PWs) bands (ev): -11.7038 -11.7038 -11.1104 -11.1104 -10.7735 -10.7735 -10.7609 -10.7609 -10.6978 -10.6978 -10.6902 -10.6902 -1.2330 -1.2330 -0.7692 -0.7692 -0.4645 -0.4645 -0.4465 -0.4465 -0.3801 -0.3801 -0.3483 -0.3483 0.1766 0.1766 0.2277 0.2277 0.3050 0.3050 0.3704 0.3704 0.6334 0.6334 0.7210 0.7210 0.8735 0.8735 1.4076 1.4076 1.9544 1.9544 1.9774 1.9774 2.2525 2.2525 2.3850 2.3850 3.1531 3.1531 3.2964 3.2964 3.3133 3.3133 3.5225 3.5225 3.5607 3.5607 3.6347 3.6347 4.6462 4.6462 4.6617 4.6617 4.8850 4.8850 4.9257 4.9257 10.6210 10.6210 k = 0.5264 0.2596 0.0665 ( 6182 PWs) bands (ev): -11.7100 -11.7100 -11.1139 -11.1139 -10.7624 -10.7624 -10.7538 -10.7538 -10.6999 -10.6999 -10.6943 -10.6943 -1.2229 -1.2229 -0.7528 -0.7528 -0.4609 -0.4609 -0.4468 -0.4468 -0.3909 -0.3909 -0.3742 -0.3742 0.1651 0.1651 0.2499 0.2499 0.3082 0.3082 0.3607 0.3607 0.6372 0.6372 0.7008 0.7008 0.8511 0.8511 1.3971 1.3971 1.9630 1.9630 1.9799 1.9799 2.2901 2.2901 2.4027 2.4027 3.1544 3.1544 3.2873 3.2873 3.3013 3.3013 3.5131 3.5131 3.5622 3.5622 3.6365 3.6365 4.6476 4.6476 4.6589 4.6589 4.8967 4.8967 4.9265 4.9265 10.6211 10.6211 k = 0.5211 0.2570 0.0863 ( 6185 PWs) bands (ev): -11.7152 -11.7152 -11.1168 -11.1168 -10.7522 -10.7522 -10.7468 -10.7468 -10.7026 -10.7026 -10.6988 -10.6988 -1.2138 -1.2138 -0.7374 -0.7374 -0.4584 -0.4584 -0.4483 -0.4483 -0.4005 -0.4005 -0.3953 -0.3953 0.1527 0.1527 0.2701 0.2701 0.3109 0.3109 0.3560 0.3560 0.6402 0.6402 0.6828 0.6828 0.8311 0.8311 1.3882 1.3882 1.9700 1.9700 1.9819 1.9819 2.3207 2.3207 2.4199 2.4199 3.1560 3.1560 3.2792 3.2792 3.2898 3.2898 3.5049 3.5049 3.5635 3.5635 3.6381 3.6381 4.6486 4.6486 4.6566 4.6566 4.9070 4.9070 4.9272 4.9272 10.6212 10.6217 k = 0.5158 0.2544 0.1061 ( 6191 PWs) bands (ev): -11.7191 -11.7191 -11.1191 -11.1191 -10.7431 -10.7431 -10.7399 -10.7399 -10.7060 -10.7060 -10.7037 -10.7037 -1.2062 -1.2062 -0.7240 -0.7240 -0.4576 -0.4576 -0.4509 -0.4509 -0.4130 -0.4130 -0.4058 -0.4058 0.1413 0.1413 0.2864 0.2864 0.3134 0.3134 0.3548 0.3548 0.6423 0.6423 0.6678 0.6678 0.8145 0.8145 1.3810 1.3810 1.9753 1.9753 1.9836 1.9836 2.3438 2.3438 2.4360 2.4360 3.1579 3.1579 3.2724 3.2724 3.2794 3.2794 3.4982 3.4982 3.5645 3.5645 3.6393 3.6393 4.6492 4.6492 4.6549 4.6549 4.9152 4.9152 4.9279 4.9279 10.6108 10.6108 k = 0.5106 0.2518 0.1259 ( 6183 PWs) bands (ev): -11.7220 -11.7220 -11.1207 -11.1207 -10.7349 -10.7349 -10.7332 -10.7332 -10.7102 -10.7102 -10.7089 -10.7089 -1.2004 -1.2004 -0.7135 -0.7135 -0.4587 -0.4587 -0.4539 -0.4539 -0.4230 -0.4230 -0.4104 -0.4104 0.1324 0.1324 0.2975 0.2975 0.3164 0.3164 0.3555 0.3555 0.6434 0.6434 0.6567 0.6567 0.8018 0.8018 1.3758 1.3758 1.9788 1.9788 1.9851 1.9851 2.3594 2.3594 2.4493 2.4493 3.1598 3.1598 3.2674 3.2674 3.2709 3.2709 3.4933 3.4933 3.5653 3.5653 3.6402 3.6402 4.6494 4.6494 4.6539 4.6539 4.9208 4.9208 4.9289 4.9289 10.6005 10.6005 k = 0.5053 0.2492 0.1458 ( 6177 PWs) bands (ev): -11.7237 -11.7237 -11.1217 -11.1217 -10.7278 -10.7278 -10.7265 -10.7265 -10.7151 -10.7151 -10.7144 -10.7144 -1.1968 -1.1968 -0.7067 -0.7067 -0.4609 -0.4609 -0.4562 -0.4562 -0.4279 -0.4279 -0.4129 -0.4129 0.1266 0.1266 0.3030 0.3030 0.3197 0.3197 0.3567 0.3567 0.6428 0.6428 0.6508 0.6508 0.7939 0.7939 1.3726 1.3726 1.9805 1.9805 1.9863 1.9863 2.3684 2.3684 2.4582 2.4582 3.1612 3.1612 3.2642 3.2642 3.2652 3.2652 3.4904 3.4904 3.5658 3.5658 3.6408 3.6408 4.6493 4.6493 4.6535 4.6535 4.9236 4.9236 4.9302 4.9302 10.5942 10.5942 k = 0.5000 0.2466 0.1656 ( 6180 PWs) bands (ev): -11.7243 -11.7243 -11.1221 -11.1221 -10.7230 -10.7230 -10.7202 -10.7202 -10.7201 -10.7201 -10.7194 -10.7194 -1.1956 -1.1956 -0.7044 -0.7044 -0.4619 -0.4619 -0.4571 -0.4571 -0.4293 -0.4293 -0.4136 -0.4136 0.1247 0.1247 0.3044 0.3044 0.3211 0.3211 0.3572 0.3572 0.6419 0.6419 0.6495 0.6495 0.7912 0.7912 1.3716 1.3716 1.9810 1.9810 1.9868 1.9868 2.3713 2.3713 2.4613 2.4613 3.1617 3.1617 3.2631 3.2631 3.2632 3.2632 3.4894 3.4894 3.5659 3.5659 3.6410 3.6410 4.6492 4.6492 4.6534 4.6534 4.9243 4.9243 4.9308 4.9308 10.5920 10.5920 k = 0.5000-0.3837-0.2576 ( 6204 PWs) bands (ev): -11.3995 -11.3995 -11.2732 -11.2732 -10.8322 -10.8322 -10.7693 -10.7693 -10.7654 -10.7654 -10.7469 -10.7469 -1.5366 -1.5366 -0.9116 -0.9116 -0.8421 -0.8421 -0.3836 -0.3836 -0.3410 -0.3410 0.0236 0.0236 0.0311 0.0311 0.3536 0.3536 0.4725 0.4725 0.5008 0.5008 0.5697 0.5697 1.0914 1.0914 1.4778 1.4778 1.5547 1.5547 1.6354 1.6354 1.9546 1.9546 2.1588 2.1588 2.3295 2.3295 3.1049 3.1049 3.1853 3.1853 3.4414 3.4414 3.5322 3.5322 3.5497 3.5497 3.6727 3.6727 4.6224 4.6224 4.8155 4.8155 4.8608 4.8608 4.8747 4.8747 10.1016 10.1016 k = 0.5144-0.3707-0.2489 ( 6205 PWs) bands (ev): -11.3993 -11.3993 -11.2729 -11.2729 -10.8325 -10.8325 -10.7710 -10.7710 -10.7666 -10.7666 -10.7442 -10.7442 -1.5363 -1.5363 -0.9109 -0.9109 -0.8412 -0.8412 -0.3869 -0.3869 -0.3368 -0.3368 0.0122 0.0122 0.0409 0.0409 0.3539 0.3539 0.4622 0.4622 0.5121 0.5121 0.5696 0.5696 1.0916 1.0916 1.4762 1.4762 1.5534 1.5534 1.6357 1.6357 1.9543 1.9543 2.1584 2.1584 2.3288 2.3288 3.1048 3.1048 3.1860 3.1860 3.4410 3.4410 3.5298 3.5298 3.5526 3.5526 3.6727 3.6727 4.6226 4.6226 4.8140 4.8140 4.8614 4.8614 4.8748 4.8748 10.1002 10.1002 k = 0.5289-0.3577-0.2402 ( 6208 PWs) bands (ev): -11.3987 -11.3987 -11.2720 -11.2720 -10.8336 -10.8336 -10.7776 -10.7776 -10.7662 -10.7662 -10.7387 -10.7387 -1.5355 -1.5355 -0.9087 -0.9087 -0.8383 -0.8383 -0.3944 -0.3944 -0.3266 -0.3266 -0.0035 -0.0035 0.0521 0.0521 0.3549 0.3549 0.4453 0.4453 0.5313 0.5313 0.5699 0.5699 1.0920 1.0920 1.4713 1.4713 1.5498 1.5498 1.6365 1.6365 1.9531 1.9531 2.1571 2.1571 2.3267 2.3267 3.1043 3.1043 3.1882 3.1882 3.4399 3.4399 3.5249 3.5249 3.5587 3.5587 3.6727 3.6727 4.6233 4.6233 4.8098 4.8098 4.8632 4.8632 4.8750 4.8750 10.0964 10.0964 k = 0.5433-0.3447-0.2315 ( 6203 PWs) bands (ev): -11.3978 -11.3978 -11.2704 -11.2704 -10.8352 -10.8352 -10.7864 -10.7864 -10.7646 -10.7646 -10.7329 -10.7329 -1.5340 -1.5340 -0.9051 -0.9051 -0.8336 -0.8336 -0.4035 -0.4035 -0.3132 -0.3132 -0.0206 -0.0206 0.0617 0.0617 0.3564 0.3564 0.4286 0.4286 0.5483 0.5483 0.5740 0.5740 1.0926 1.0926 1.4633 1.4633 1.5443 1.5443 1.6374 1.6374 1.9513 1.9513 2.1550 2.1550 2.3232 2.3232 3.1038 3.1038 3.1917 3.1917 3.4382 3.4382 3.5198 3.5198 3.5659 3.5659 3.6728 3.6728 4.6243 4.6243 4.8034 4.8034 4.8657 4.8657 4.8753 4.8753 10.0907 10.0907 k = 0.5578-0.3318-0.2228 ( 6203 PWs) bands (ev): -11.3966 -11.3966 -11.2683 -11.2683 -10.8374 -10.8374 -10.7960 -10.7960 -10.7625 -10.7625 -10.7273 -10.7273 -1.5320 -1.5320 -0.9001 -0.9001 -0.8270 -0.8270 -0.4129 -0.4129 -0.2978 -0.2978 -0.0386 -0.0386 0.0694 0.0694 0.3584 0.3584 0.4132 0.4132 0.5545 0.5545 0.5896 0.5896 1.0932 1.0932 1.4526 1.4526 1.5372 1.5372 1.6377 1.6377 1.9488 1.9488 2.1521 2.1521 2.3186 2.3186 3.1031 3.1031 3.1965 3.1965 3.4359 3.4359 3.5150 3.5150 3.5733 3.5733 3.6730 3.6730 4.6257 4.6257 4.7953 4.7953 4.8683 4.8683 4.8759 4.8759 10.0839 10.0839 k = 0.5722-0.3188-0.2141 ( 6204 PWs) bands (ev): -11.3951 -11.3951 -11.2655 -11.2655 -10.8400 -10.8400 -10.8062 -10.8062 -10.7599 -10.7599 -10.7223 -10.7223 -1.5294 -1.5294 -0.8940 -0.8940 -0.8187 -0.8187 -0.4222 -0.4222 -0.2808 -0.2808 -0.0572 -0.0572 0.0751 0.0751 0.3604 0.3604 0.3997 0.3997 0.5537 0.5537 0.6126 0.6126 1.0935 1.0935 1.4396 1.4396 1.5290 1.5290 1.6370 1.6370 1.9457 1.9457 2.1483 2.1483 2.3129 2.3129 3.1024 3.1024 3.2022 3.2022 3.4330 3.4330 3.5109 3.5109 3.5806 3.5806 3.6732 3.6732 4.6276 4.6276 4.7858 4.7858 4.8704 4.8704 4.8769 4.8769 10.0771 10.0771 k = 0.5867-0.3058-0.2054 ( 6209 PWs) bands (ev): -11.3933 -11.3933 -11.2621 -11.2621 -10.8430 -10.8430 -10.8167 -10.8167 -10.7570 -10.7570 -10.7179 -10.7179 -1.5263 -1.5263 -0.8869 -0.8869 -0.8085 -0.8085 -0.4313 -0.4313 -0.2625 -0.2625 -0.0762 -0.0762 0.0788 0.0788 0.3612 0.3612 0.3893 0.3893 0.5508 0.5508 0.6380 0.6380 1.0934 1.0934 1.4249 1.4249 1.5198 1.5198 1.6348 1.6348 1.9420 1.9420 2.1437 2.1437 2.3064 2.3064 3.1019 3.1019 3.2087 3.2087 3.4299 3.4299 3.5074 3.5074 3.5875 3.5875 3.6736 3.6736 4.6298 4.6298 4.7753 4.7753 4.8714 4.8714 4.8787 4.8787 10.0710 10.0710 k = 0.6011-0.2928-0.1966 ( 6204 PWs) bands (ev): -11.3914 -11.3914 -11.2581 -11.2581 -10.8463 -10.8463 -10.8272 -10.8272 -10.7538 -10.7538 -10.7141 -10.7141 -1.5227 -1.5227 -0.8789 -0.8789 -0.7967 -0.7967 -0.4401 -0.4401 -0.2431 -0.2431 -0.0951 -0.0951 0.0805 0.0805 0.3584 0.3584 0.3844 0.3844 0.5472 0.5472 0.6643 0.6643 1.0924 1.0924 1.4090 1.4090 1.5098 1.5098 1.6310 1.6310 1.9380 1.9380 2.1382 2.1382 2.2992 2.2992 3.1014 3.1014 3.2159 3.2159 3.4265 3.4265 3.5045 3.5045 3.5940 3.5940 3.6742 3.6742 4.6324 4.6324 4.7640 4.7640 4.8715 4.8715 4.8812 4.8812 10.0666 10.0666 k = 0.6156-0.2798-0.1879 ( 6203 PWs) bands (ev): -11.3893 -11.3893 -11.2535 -11.2535 -10.8504 -10.8504 -10.8374 -10.8374 -10.7505 -10.7505 -10.7110 -10.7110 -1.5185 -1.5185 -0.8704 -0.8704 -0.7832 -0.7832 -0.4486 -0.4486 -0.2234 -0.2234 -0.1132 -0.1132 0.0801 0.0801 0.3515 0.3515 0.3853 0.3853 0.5432 0.5432 0.6910 0.6910 1.0901 1.0901 1.3927 1.3927 1.4991 1.4991 1.6251 1.6251 1.9336 1.9336 2.1320 2.1320 2.2918 2.2918 3.1012 3.1012 3.2236 3.2236 3.4230 3.4230 3.5022 3.5022 3.5996 3.5996 3.6750 3.6750 4.6354 4.6354 4.7522 4.7522 4.8710 4.8710 4.8840 4.8840 10.0645 10.0645 k = 0.6300-0.2669-0.1792 ( 6201 PWs) bands (ev): -11.3873 -11.3873 -11.2483 -11.2483 -10.8562 -10.8562 -10.8459 -10.8459 -10.7471 -10.7471 -10.7086 -10.7086 -1.5139 -1.5139 -0.8615 -0.8615 -0.7681 -0.7681 -0.4567 -0.4567 -0.2049 -0.2049 -0.1286 -0.1286 0.0778 0.0778 0.3433 0.3433 0.3892 0.3892 0.5393 0.5393 0.7177 0.7177 1.0861 1.0861 1.3767 1.3767 1.4879 1.4879 1.6172 1.6172 1.9291 1.9291 2.1249 2.1249 2.2842 2.2842 3.1012 3.1012 3.2316 3.2316 3.4196 3.4196 3.5004 3.5004 3.6044 3.6044 3.6761 3.6761 4.6385 4.6385 4.7402 4.7402 4.8699 4.8699 4.8868 4.8868 10.0652 10.0652 k = 0.6445-0.2539-0.1705 ( 6208 PWs) bands (ev): -11.3853 -11.3853 -11.2426 -11.2426 -10.8649 -10.8649 -10.8515 -10.8515 -10.7437 -10.7437 -10.7068 -10.7068 -1.5089 -1.5089 -0.8527 -0.8527 -0.7516 -0.7516 -0.4644 -0.4644 -0.1931 -0.1931 -0.1358 -0.1358 0.0736 0.0736 0.3354 0.3354 0.3944 0.3944 0.5355 0.5355 0.7442 0.7442 1.0799 1.0799 1.3618 1.3618 1.4761 1.4761 1.6071 1.6071 1.9246 1.9246 2.1171 2.1171 2.2767 2.2767 3.1014 3.1014 3.2399 3.2399 3.4164 3.4164 3.4989 3.4989 3.6081 3.6081 3.6775 3.6775 4.6417 4.6417 4.7282 4.7282 4.8685 4.8685 4.8894 4.8894 10.0691 10.0691 k = 0.6589-0.2409-0.1618 ( 6206 PWs) bands (ev): -11.3835 -11.3835 -11.2363 -11.2363 -10.8749 -10.8749 -10.8554 -10.8554 -10.7404 -10.7404 -10.7056 -10.7056 -1.5035 -1.5035 -0.8442 -0.8442 -0.7338 -0.7338 -0.4716 -0.4716 -0.1956 -0.1956 -0.1271 -0.1271 0.0677 0.0677 0.3282 0.3282 0.4003 0.4003 0.5319 0.5319 0.7702 0.7702 1.0711 1.0711 1.3486 1.3486 1.4639 1.4639 1.5949 1.5949 1.9203 1.9203 2.1085 2.1085 2.2697 2.2697 3.1018 3.1018 3.2482 3.2482 3.4134 3.4134 3.4979 3.4979 3.6108 3.6108 3.6792 3.6792 4.6448 4.6448 4.7167 4.7167 4.8668 4.8668 4.8918 4.8918 10.0762 10.0762 k = 0.6734-0.2279-0.1531 ( 6202 PWs) bands (ev): -11.3821 -11.3821 -11.2295 -11.2295 -10.8851 -10.8851 -10.8587 -10.8587 -10.7370 -10.7370 -10.7051 -10.7051 -1.4978 -1.4978 -0.8364 -0.8364 -0.7147 -0.7147 -0.4783 -0.4783 -0.2079 -0.2079 -0.1069 -0.1069 0.0601 0.0601 0.3219 0.3219 0.4066 0.4066 0.5289 0.5289 0.7953 0.7953 1.0594 1.0594 1.3376 1.3376 1.4515 1.4515 1.5807 1.5807 1.9161 1.9161 2.0993 2.0993 2.2632 2.2632 3.1025 3.1025 3.2566 3.2566 3.4109 3.4109 3.4971 3.4971 3.6124 3.6124 3.6813 3.6813 4.6473 4.6473 4.7063 4.7063 4.8649 4.8649 4.8938 4.8938 10.0868 10.0868 k = 0.6878-0.2150-0.1443 ( 6198 PWs) bands (ev): -11.3811 -11.3811 -11.2221 -11.2221 -10.8950 -10.8950 -10.8617 -10.8617 -10.7338 -10.7338 -10.7051 -10.7051 -1.4918 -1.4918 -0.8297 -0.8297 -0.6947 -0.6947 -0.4844 -0.4844 -0.2227 -0.2227 -0.0825 -0.0825 0.0511 0.0511 0.3166 0.3166 0.4130 0.4130 0.5265 0.5265 0.8192 0.8192 1.0449 1.0449 1.3290 1.3290 1.4389 1.4389 1.5649 1.5649 1.9123 1.9123 2.0895 2.0895 2.2575 2.2575 3.1033 3.1033 3.2649 3.2649 3.4087 3.4087 3.4966 3.4966 3.6128 3.6128 3.6834 3.6834 4.6484 4.6484 4.6978 4.6978 4.8628 4.8628 4.8955 4.8955 10.1007 10.1007 k = 0.7023-0.2020-0.1356 ( 6199 PWs) bands (ev): -11.3807 -11.3807 -11.2142 -11.2142 -10.9043 -10.9043 -10.8645 -10.8645 -10.7306 -10.7306 -10.7057 -10.7057 -1.4855 -1.4855 -0.8244 -0.8244 -0.6738 -0.6738 -0.4900 -0.4900 -0.2375 -0.2375 -0.0563 -0.0563 0.0409 0.0409 0.3123 0.3123 0.4195 0.4195 0.5247 0.5247 0.8417 0.8417 1.0279 1.0279 1.3229 1.3229 1.4263 1.4263 1.5476 1.5476 1.9089 1.9089 2.0794 2.0794 2.2526 2.2526 3.1043 3.1043 3.2730 3.2730 3.4070 3.4070 3.4964 3.4964 3.6123 3.6123 3.6857 3.6857 4.6472 4.6472 4.6923 4.6923 4.8606 4.8606 4.8967 4.8967 10.1179 10.1179 k = 0.7167-0.1890-0.1269 ( 6201 PWs) bands (ev): -11.3811 -11.3811 -11.2058 -11.2058 -10.9129 -10.9129 -10.8670 -10.8670 -10.7276 -10.7276 -10.7068 -10.7068 -1.4791 -1.4791 -0.8207 -0.8207 -0.6525 -0.6525 -0.4953 -0.4953 -0.2513 -0.2513 -0.0293 -0.0293 0.0298 0.0298 0.3089 0.3089 0.4258 0.4258 0.5237 0.5237 0.8622 0.8622 1.0088 1.0088 1.3191 1.3191 1.4137 1.4137 1.5295 1.5295 1.9061 1.9061 2.0692 2.0692 2.2485 2.2485 3.1055 3.1055 3.2809 3.2809 3.4058 3.4058 3.4963 3.4963 3.6109 3.6109 3.6878 3.6878 4.6432 4.6432 4.6905 4.6905 4.8582 4.8582 4.8975 4.8975 10.1379 10.1379 k = 0.7312-0.1760-0.1182 ( 6205 PWs) bands (ev): -11.3824 -11.3824 -11.1969 -11.1969 -10.9205 -10.9205 -10.8693 -10.8693 -10.7249 -10.7249 -10.7083 -10.7083 -1.4727 -1.4727 -0.8188 -0.8188 -0.6310 -0.6310 -0.5004 -0.5004 -0.2634 -0.2634 -0.0032 -0.0032 0.0189 0.0189 0.3064 0.3064 0.4319 0.4319 0.5237 0.5237 0.8803 0.8803 0.9885 0.9885 1.3172 1.3172 1.4010 1.4010 1.5110 1.5110 1.9038 1.9038 2.0590 2.0590 2.2454 2.2454 3.1068 3.1068 3.2885 3.2885 3.4050 3.4050 3.4963 3.4963 3.6087 3.6087 3.6898 3.6898 4.6372 4.6372 4.6916 4.6916 4.8559 4.8559 4.8977 4.8977 10.1604 10.1604 k = 0.7456-0.1630-0.1095 ( 6200 PWs) bands (ev): -11.3847 -11.3847 -11.1875 -11.1875 -10.9270 -10.9270 -10.8714 -10.8714 -10.7224 -10.7224 -10.7101 -10.7101 -1.4662 -1.4662 -0.8189 -0.8189 -0.6098 -0.6098 -0.5054 -0.5054 -0.2736 -0.2736 0.0023 0.0023 0.0279 0.0279 0.3048 0.3048 0.4376 0.4376 0.5247 0.5247 0.8949 0.8949 0.9685 0.9685 1.3166 1.3166 1.3884 1.3884 1.4930 1.4930 1.9022 1.9022 2.0492 2.0492 2.2432 2.2432 3.1082 3.1082 3.2958 3.2958 3.4047 3.4047 3.4965 3.4965 3.6058 3.6058 3.6914 3.6914 4.6305 4.6305 4.6945 4.6945 4.8536 4.8536 4.8975 4.8975 10.1850 10.1850 k = 0.7601-0.1501-0.1008 ( 6194 PWs) bands (ev): -11.3881 -11.3881 -11.1776 -11.1776 -10.9324 -10.9324 -10.8733 -10.8733 -10.7204 -10.7204 -10.7119 -10.7119 -1.4599 -1.4599 -0.8209 -0.8209 -0.5895 -0.5895 -0.5104 -0.5104 -0.2814 -0.2814 -0.0096 -0.0096 0.0536 0.0536 0.3039 0.3039 0.4429 0.4429 0.5267 0.5267 0.9030 0.9030 0.9522 0.9522 1.3169 1.3169 1.3758 1.3758 1.4761 1.4761 1.9014 1.9014 2.0401 2.0401 2.2418 2.2418 3.1097 3.1097 3.3026 3.3026 3.4049 3.4049 3.4969 3.4969 3.6023 3.6023 3.6927 3.6927 4.6238 4.6238 4.6983 4.6983 4.8513 4.8513 4.8967 4.8967 10.2111 10.2111 k = 0.7745-0.1371-0.0921 ( 6194 PWs) bands (ev): -11.3927 -11.3927 -11.1674 -11.1674 -10.9364 -10.9364 -10.8749 -10.8749 -10.7197 -10.7197 -10.7130 -10.7130 -1.4536 -1.4536 -0.8247 -0.8247 -0.5715 -0.5715 -0.5148 -0.5148 -0.2871 -0.2871 -0.0223 -0.0223 0.0793 0.0793 0.3037 0.3037 0.4477 0.4477 0.5299 0.5299 0.8985 0.8985 0.9463 0.9463 1.3171 1.3171 1.3632 1.3632 1.4613 1.4613 1.9015 1.9015 2.0319 2.0319 2.2412 2.2412 3.1113 3.1113 3.3090 3.3090 3.4055 3.4055 3.4973 3.4973 3.5982 3.5982 3.6935 3.6935 4.6179 4.6179 4.7025 4.7025 4.8492 4.8492 4.8954 4.8954 10.2381 10.2381 Writing output data file FeCl3.save init_run : 0.83s CPU 1.57s WALL ( 1 calls) electrons : 574.04s CPU 593.24s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.44s WALL ( 1 calls) potinit : 0.04s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 574.04s CPU 593.23s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.03s WALL ( 1 calls) newd : 0.29s CPU 0.30s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 233 calls) cegterg : 543.04s CPU 560.77s WALL ( 628 calls) Called by sum_band: Called by *egterg: h_psi : 311.06s CPU 333.76s WALL ( 11632 calls) s_psi : 36.38s CPU 36.43s WALL ( 11632 calls) g_psi : 0.56s CPU 0.62s WALL ( 10771 calls) cdiaghg : 153.48s CPU 149.57s WALL ( 11004 calls) cegterg:over : 26.16s CPU 24.90s WALL ( 10771 calls) cegterg:upda : 10.33s CPU 13.49s WALL ( 10771 calls) cegterg:last : 8.24s CPU 8.78s WALL ( 1327 calls) Called by h_psi: h_psi:vloc : 261.42s CPU 283.08s WALL ( 11632 calls) h_psi:vnl : 49.38s CPU 50.22s WALL ( 11632 calls) add_vuspsi : 25.54s CPU 27.26s WALL ( 11632 calls) General routines calbec : 23.82s CPU 22.93s WALL ( 11632 calls) fft : 0.03s CPU 0.06s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 251.26s CPU 270.56s WALL ( 1140180 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.23s WALL ( 466 calls) Parallel routines fft_scatter : 148.05s CPU 155.65s WALL ( 1140203 calls) PWSCF : 10m 2.84s CPU 10m43.96s WALL This run was terminated on: 19:46:51 27Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=