Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 3:15 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaS2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 33 27 8 1491 1115 171 Max 34 28 9 1500 1133 177 Sum 1209 1001 291 53799 40553 6303 bravais-lattice index = 14 lattice parameter (alat) = 9.8906 a.u. unit-cell volume = 1187.7321 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 193.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.890635 celldm(2)= 1.000000 celldm(3)= 1.724336 celldm(4)= 0.423608 celldm(5)= 0.423608 celldm(6)= 0.587487 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.587487 0.809234 0.000000 ) a(3) = ( 0.730442 0.372348 1.516953 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.725979 -0.303322 ) b(2) = ( 0.000000 1.235737 -0.303322 ) b(3) = ( 0.000000 0.000000 0.659216 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Ba 10.00 137.32700 Ba( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 315 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0128205 0.0065354 -0.0077775), wk = 0.0031746 k( 3) = ( 0.0256410 0.0130707 -0.0155550), wk = 0.0031746 k( 4) = ( 0.0384615 0.0196061 -0.0233324), wk = 0.0031746 k( 5) = ( 0.0512821 0.0261414 -0.0311099), wk = 0.0031746 k( 6) = ( 0.0641026 0.0326768 -0.0388874), wk = 0.0031746 k( 7) = ( 0.0769231 0.0392121 -0.0466649), wk = 0.0031746 k( 8) = ( 0.0897436 0.0457475 -0.0544424), wk = 0.0031746 k( 9) = ( 0.1025641 0.0522828 -0.0622198), wk = 0.0031746 k( 10) = ( 0.1153846 0.0588182 -0.0699973), wk = 0.0031746 k( 11) = ( 0.1282051 0.0653535 -0.0777748), wk = 0.0031746 k( 12) = ( 0.1410256 0.0718889 -0.0855523), wk = 0.0031746 k( 13) = ( 0.1538461 0.0784243 -0.0933298), wk = 0.0031746 k( 14) = ( 0.1666667 0.0849596 -0.1011072), wk = 0.0031746 k( 15) = ( 0.1794872 0.0914950 -0.1088847), wk = 0.0031746 k( 16) = ( 0.1923077 0.0980303 -0.1166622), wk = 0.0031746 k( 17) = ( 0.2051282 0.1045657 -0.1244397), wk = 0.0031746 k( 18) = ( 0.2179487 0.1111010 -0.1322172), wk = 0.0031746 k( 19) = ( 0.2307692 0.1176364 -0.1399946), wk = 0.0031746 k( 20) = ( 0.2435897 0.1241717 -0.1477721), wk = 0.0031746 k( 21) = ( 0.2564103 0.1307071 -0.1555496), wk = 0.0031746 k( 22) = ( 0.2692308 0.1372424 -0.1633271), wk = 0.0031746 k( 23) = ( 0.2820513 0.1437778 -0.1711045), wk = 0.0031746 k( 24) = ( 0.2948718 0.1503132 -0.1788820), wk = 0.0031746 k( 25) = ( 0.3076923 0.1568485 -0.1866595), wk = 0.0031746 k( 26) = ( 0.3205128 0.1633839 -0.1944370), wk = 0.0031746 k( 27) = ( 0.3333333 0.1699192 -0.2022145), wk = 0.0031746 k( 28) = ( 0.3461538 0.1764546 -0.2099919), wk = 0.0031746 k( 29) = ( 0.3589744 0.1829899 -0.2177694), wk = 0.0031746 k( 30) = ( 0.3717949 0.1895253 -0.2255469), wk = 0.0031746 k( 31) = ( 0.3846154 0.1960606 -0.2333244), wk = 0.0031746 k( 32) = ( 0.3974359 0.2025960 -0.2411019), wk = 0.0031746 k( 33) = ( 0.4102564 0.2091314 -0.2488793), wk = 0.0031746 k( 34) = ( 0.4230769 0.2156667 -0.2566568), wk = 0.0031746 k( 35) = ( 0.4358974 0.2222021 -0.2644343), wk = 0.0031746 k( 36) = ( 0.4487179 0.2287374 -0.2722118), wk = 0.0031746 k( 37) = ( 0.4615385 0.2352728 -0.2799893), wk = 0.0031746 k( 38) = ( 0.4743590 0.2418081 -0.2877667), wk = 0.0031746 k( 39) = ( 0.4871795 0.2483435 -0.2955442), wk = 0.0031746 k( 40) = ( 0.5000000 0.2548788 -0.3033217), wk = 0.0031746 k( 41) = ( 0.5000000 0.2548788 -0.3033217), wk = 0.0031746 k( 42) = ( 0.5063287 0.2581049 -0.2901785), wk = 0.0031746 k( 43) = ( 0.5126574 0.2613311 -0.2770352), wk = 0.0031746 k( 44) = ( 0.5126574 0.2613311 -0.2770352), wk = 0.0031746 k( 45) = ( 0.5119913 0.2609915 -0.2610709), wk = 0.0031746 k( 46) = ( 0.5113251 0.2606519 -0.2451066), wk = 0.0031746 k( 47) = ( 0.5106589 0.2603123 -0.2291423), wk = 0.0031746 k( 48) = ( 0.5099927 0.2599727 -0.2131780), wk = 0.0031746 k( 49) = ( 0.5093265 0.2596331 -0.1972137), wk = 0.0031746 k( 50) = ( 0.5086603 0.2592935 -0.1812494), wk = 0.0031746 k( 51) = ( 0.5079942 0.2589539 -0.1652851), wk = 0.0031746 k( 52) = ( 0.5073280 0.2586143 -0.1493208), wk = 0.0031746 k( 53) = ( 0.5066618 0.2582747 -0.1333565), wk = 0.0031746 k( 54) = ( 0.5059956 0.2579352 -0.1173922), wk = 0.0031746 k( 55) = ( 0.5053294 0.2575956 -0.1014279), wk = 0.0031746 k( 56) = ( 0.5046633 0.2572560 -0.0854636), wk = 0.0031746 k( 57) = ( 0.5039971 0.2569164 -0.0694993), wk = 0.0031746 k( 58) = ( 0.5033309 0.2565768 -0.0535350), wk = 0.0031746 k( 59) = ( 0.5026647 0.2562372 -0.0375707), wk = 0.0031746 k( 60) = ( 0.5019985 0.2558976 -0.0216064), wk = 0.0031746 k( 61) = ( 0.5013324 0.2555580 -0.0056421), wk = 0.0031746 k( 62) = ( 0.5006662 0.2552184 0.0103222), wk = 0.0031746 k( 63) = ( 0.5000000 0.2548788 0.0262865), wk = 0.0031746 k( 64) = ( 0.5000000 0.2548788 0.0262865), wk = 0.0031746 k( 65) = ( 0.5074036 0.2403550 0.0262865), wk = 0.0031746 k( 66) = ( 0.5148073 0.2258311 0.0262865), wk = 0.0031746 k( 67) = ( 0.5222110 0.2113072 0.0262865), wk = 0.0031746 k( 68) = ( 0.5296146 0.1967834 0.0262865), wk = 0.0031746 k( 69) = ( 0.5370183 0.1822595 0.0262865), wk = 0.0031746 k( 70) = ( 0.5444219 0.1677356 0.0262865), wk = 0.0031746 k( 71) = ( 0.5518256 0.1532118 0.0262865), wk = 0.0031746 k( 72) = ( 0.5592292 0.1386879 0.0262865), wk = 0.0031746 k( 73) = ( 0.5666329 0.1241640 0.0262865), wk = 0.0031746 k( 74) = ( 0.5740365 0.1096402 0.0262865), wk = 0.0031746 k( 75) = ( 0.5814402 0.0951163 0.0262865), wk = 0.0031746 k( 76) = ( 0.5888438 0.0805924 0.0262865), wk = 0.0031746 k( 77) = ( 0.5962475 0.0660685 0.0262865), wk = 0.0031746 k( 78) = ( 0.6036511 0.0515447 0.0262865), wk = 0.0031746 k( 79) = ( 0.6110548 0.0370208 0.0262865), wk = 0.0031746 k( 80) = ( 0.6184584 0.0224969 0.0262865), wk = 0.0031746 k( 81) = ( 0.6258621 0.0079731 0.0262865), wk = 0.0031746 k( 82) = ( 0.6332658 -0.0065508 0.0262865), wk = 0.0031746 k( 83) = ( 0.6406694 -0.0210747 0.0262865), wk = 0.0031746 k( 84) = ( 0.6480731 -0.0355985 0.0262865), wk = 0.0031746 k( 85) = ( 0.6554767 -0.0501224 0.0262865), wk = 0.0031746 k( 86) = ( 0.6628804 -0.0646463 0.0262865), wk = 0.0031746 k( 87) = ( 0.6702840 -0.0791701 0.0262865), wk = 0.0031746 k( 88) = ( 0.6776877 -0.0936940 0.0262865), wk = 0.0031746 k( 89) = ( 0.6850913 -0.1082179 0.0262865), wk = 0.0031746 k( 90) = ( 0.6924950 -0.1227417 0.0262865), wk = 0.0031746 k( 91) = ( 0.6998986 -0.1372656 0.0262865), wk = 0.0031746 k( 92) = ( 0.7073023 -0.1517895 0.0262865), wk = 0.0031746 k( 93) = ( 0.2926977 -0.5741899 0.3296082), wk = 0.0031746 k( 94) = ( 0.2851926 -0.5594671 0.3296082), wk = 0.0031746 k( 95) = ( 0.2776876 -0.5447443 0.3296082), wk = 0.0031746 k( 96) = ( 0.2701825 -0.5300215 0.3296082), wk = 0.0031746 k( 97) = ( 0.2626774 -0.5152986 0.3296082), wk = 0.0031746 k( 98) = ( 0.2551724 -0.5005758 0.3296082), wk = 0.0031746 k( 99) = ( 0.2476673 -0.4858530 0.3296082), wk = 0.0031746 k( 100) = ( 0.2401622 -0.4711302 0.3296082), wk = 0.0031746 k( 101) = ( 0.2326572 -0.4564074 0.3296082), wk = 0.0031746 k( 102) = ( 0.2251521 -0.4416846 0.3296082), wk = 0.0031746 k( 103) = ( 0.2176470 -0.4269617 0.3296082), wk = 0.0031746 k( 104) = ( 0.2101419 -0.4122389 0.3296082), wk = 0.0031746 k( 105) = ( 0.2026369 -0.3975161 0.3296082), wk = 0.0031746 k( 106) = ( 0.1951318 -0.3827933 0.3296082), wk = 0.0031746 k( 107) = ( 0.1876267 -0.3680705 0.3296082), wk = 0.0031746 k( 108) = ( 0.1801217 -0.3533476 0.3296082), wk = 0.0031746 k( 109) = ( 0.1726166 -0.3386248 0.3296082), wk = 0.0031746 k( 110) = ( 0.1651115 -0.3239020 0.3296082), wk = 0.0031746 k( 111) = ( 0.1576065 -0.3091792 0.3296082), wk = 0.0031746 k( 112) = ( 0.1501014 -0.2944564 0.3296082), wk = 0.0031746 k( 113) = ( 0.1425963 -0.2797335 0.3296082), wk = 0.0031746 k( 114) = ( 0.1350912 -0.2650107 0.3296082), wk = 0.0031746 k( 115) = ( 0.1275862 -0.2502879 0.3296082), wk = 0.0031746 k( 116) = ( 0.1200811 -0.2355651 0.3296082), wk = 0.0031746 k( 117) = ( 0.1125760 -0.2208423 0.3296082), wk = 0.0031746 k( 118) = ( 0.1050710 -0.2061195 0.3296082), wk = 0.0031746 k( 119) = ( 0.0975659 -0.1913966 0.3296082), wk = 0.0031746 k( 120) = ( 0.0900608 -0.1766738 0.3296082), wk = 0.0031746 k( 121) = ( 0.0825558 -0.1619510 0.3296082), wk = 0.0031746 k( 122) = ( 0.0750507 -0.1472282 0.3296082), wk = 0.0031746 k( 123) = ( 0.0675456 -0.1325054 0.3296082), wk = 0.0031746 k( 124) = ( 0.0600406 -0.1177826 0.3296082), wk = 0.0031746 k( 125) = ( 0.0525355 -0.1030597 0.3296082), wk = 0.0031746 k( 126) = ( 0.0450304 -0.0883369 0.3296082), wk = 0.0031746 k( 127) = ( 0.0375253 -0.0736141 0.3296082), wk = 0.0031746 k( 128) = ( 0.0300203 -0.0588913 0.3296082), wk = 0.0031746 k( 129) = ( 0.0225152 -0.0441685 0.3296082), wk = 0.0031746 k( 130) = ( 0.0150101 -0.0294456 0.3296082), wk = 0.0031746 k( 131) = ( 0.0075051 -0.0147228 0.3296082), wk = 0.0031746 k( 132) = ( 0.0000000 0.0000000 0.3296082), wk = 0.0031746 k( 133) = ( 0.0000000 0.0000000 0.3296082), wk = 0.0031746 k( 134) = ( 0.0147680 0.0075281 0.3296082), wk = 0.0031746 k( 135) = ( 0.0295359 0.0150562 0.3296082), wk = 0.0031746 k( 136) = ( 0.0443039 0.0225842 0.3296082), wk = 0.0031746 k( 137) = ( 0.0590718 0.0301123 0.3296082), wk = 0.0031746 k( 138) = ( 0.0738398 0.0376404 0.3296082), wk = 0.0031746 k( 139) = ( 0.0886077 0.0451685 0.3296082), wk = 0.0031746 k( 140) = ( 0.1033757 0.0526966 0.3296082), wk = 0.0031746 k( 141) = ( 0.1181437 0.0602246 0.3296082), wk = 0.0031746 k( 142) = ( 0.1329116 0.0677527 0.3296082), wk = 0.0031746 k( 143) = ( 0.1476796 0.0752808 0.3296082), wk = 0.0031746 k( 144) = ( 0.1624475 0.0828089 0.3296082), wk = 0.0031746 k( 145) = ( 0.1772155 0.0903369 0.3296082), wk = 0.0031746 k( 146) = ( 0.1919834 0.0978650 0.3296082), wk = 0.0031746 k( 147) = ( 0.2067514 0.1053931 0.3296082), wk = 0.0031746 k( 148) = ( 0.2215194 0.1129212 0.3296082), wk = 0.0031746 k( 149) = ( 0.2362873 0.1204493 0.3296082), wk = 0.0031746 k( 150) = ( 0.2510553 0.1279773 0.3296082), wk = 0.0031746 k( 151) = ( 0.2658232 0.1355054 0.3296082), wk = 0.0031746 k( 152) = ( 0.2805912 0.1430335 0.3296082), wk = 0.0031746 k( 153) = ( 0.2953591 0.1505616 0.3296082), wk = 0.0031746 k( 154) = ( 0.3101271 0.1580897 0.3296082), wk = 0.0031746 k( 155) = ( 0.3248950 0.1656177 0.3296082), wk = 0.0031746 k( 156) = ( 0.3396630 0.1731458 0.3296082), wk = 0.0031746 k( 157) = ( 0.3544310 0.1806739 0.3296082), wk = 0.0031746 k( 158) = ( 0.3691989 0.1882020 0.3296082), wk = 0.0031746 k( 159) = ( 0.3839669 0.1957301 0.3296082), wk = 0.0031746 k( 160) = ( 0.3987348 0.2032581 0.3296081), wk = 0.0031746 k( 161) = ( 0.4135028 0.2107862 0.3296082), wk = 0.0031746 k( 162) = ( 0.4282707 0.2183143 0.3296082), wk = 0.0031746 k( 163) = ( 0.4430387 0.2258424 0.3296082), wk = 0.0031746 k( 164) = ( 0.4578066 0.2333704 0.3296082), wk = 0.0031746 k( 165) = ( 0.4725746 0.2408985 0.3296082), wk = 0.0031746 k( 166) = ( 0.4873426 0.2484266 0.3296082), wk = 0.0031746 k( 167) = ( 0.5000000 0.2548788 -0.3033217), wk = 0.0031746 k( 168) = ( 0.5075482 0.2400714 -0.3033217), wk = 0.0031746 k( 169) = ( 0.5150964 0.2252640 -0.3033217), wk = 0.0031746 k( 170) = ( 0.5226446 0.2104566 -0.3033217), wk = 0.0031746 k( 171) = ( 0.5301928 0.1956491 -0.3033217), wk = 0.0031746 k( 172) = ( 0.5377410 0.1808417 -0.3033217), wk = 0.0031746 k( 173) = ( 0.5452892 0.1660343 -0.3033217), wk = 0.0031746 k( 174) = ( 0.5528374 0.1512269 -0.3033217), wk = 0.0031746 k( 175) = ( 0.5603856 0.1364194 -0.3033217), wk = 0.0031746 k( 176) = ( 0.5679338 0.1216120 -0.3033217), wk = 0.0031746 k( 177) = ( 0.5754820 0.1068046 -0.3033217), wk = 0.0031746 k( 178) = ( 0.5830302 0.0919972 -0.3033217), wk = 0.0031746 k( 179) = ( 0.5905784 0.0771898 -0.3033217), wk = 0.0031746 k( 180) = ( 0.5981266 0.0623823 -0.3033217), wk = 0.0031746 k( 181) = ( 0.6056748 0.0475749 -0.3033217), wk = 0.0031746 k( 182) = ( 0.6132230 0.0327675 -0.3033217), wk = 0.0031746 k( 183) = ( 0.6207712 0.0179601 -0.3033217), wk = 0.0031746 k( 184) = ( 0.6283194 0.0031526 -0.3033217), wk = 0.0031746 k( 185) = ( 0.6358675 -0.0116548 -0.3033217), wk = 0.0031746 k( 186) = ( 0.6434157 -0.0264622 -0.3033217), wk = 0.0031746 k( 187) = ( 0.6509639 -0.0412696 -0.3033217), wk = 0.0031746 k( 188) = ( 0.6585121 -0.0560771 -0.3033217), wk = 0.0031746 k( 189) = ( 0.6660603 -0.0708845 -0.3033217), wk = 0.0031746 k( 190) = ( 0.3339397 -0.6550949 0.0000000), wk = 0.0031746 k( 191) = ( 0.3265188 -0.6405372 0.0000000), wk = 0.0031746 k( 192) = ( 0.3190979 -0.6259796 0.0000000), wk = 0.0031746 k( 193) = ( 0.3116770 -0.6114219 0.0000000), wk = 0.0031746 k( 194) = ( 0.3042561 -0.5968643 0.0000000), wk = 0.0031746 k( 195) = ( 0.2968352 -0.5823066 0.0000000), wk = 0.0031746 k( 196) = ( 0.2894144 -0.5677489 0.0000000), wk = 0.0031746 k( 197) = ( 0.2819935 -0.5531913 0.0000000), wk = 0.0031746 k( 198) = ( 0.2745726 -0.5386336 0.0000000), wk = 0.0031746 k( 199) = ( 0.2671517 -0.5240759 -0.0000000), wk = 0.0031746 k( 200) = ( 0.2597308 -0.5095183 -0.0000000), wk = 0.0031746 k( 201) = ( 0.2523100 -0.4949606 -0.0000000), wk = 0.0031746 k( 202) = ( 0.2448891 -0.4804029 0.0000000), wk = 0.0031746 k( 203) = ( 0.2374682 -0.4658453 0.0000000), wk = 0.0031746 k( 204) = ( 0.2300473 -0.4512876 -0.0000000), wk = 0.0031746 k( 205) = ( 0.2226264 -0.4367299 0.0000000), wk = 0.0031746 k( 206) = ( 0.2152056 -0.4221723 0.0000000), wk = 0.0031746 k( 207) = ( 0.2077847 -0.4076146 0.0000000), wk = 0.0031746 k( 208) = ( 0.2003638 -0.3930569 -0.0000000), wk = 0.0031746 k( 209) = ( 0.1929429 -0.3784993 -0.0000000), wk = 0.0031746 k( 210) = ( 0.1855220 -0.3639416 -0.0000000), wk = 0.0031746 k( 211) = ( 0.1781012 -0.3493840 0.0000000), wk = 0.0031746 k( 212) = ( 0.1706803 -0.3348263 -0.0000000), wk = 0.0031746 k( 213) = ( 0.1632594 -0.3202686 0.0000000), wk = 0.0031746 k( 214) = ( 0.1558385 -0.3057110 0.0000000), wk = 0.0031746 k( 215) = ( 0.1484176 -0.2911533 -0.0000000), wk = 0.0031746 k( 216) = ( 0.1409967 -0.2765956 -0.0000000), wk = 0.0031746 k( 217) = ( 0.1335759 -0.2620380 -0.0000000), wk = 0.0031746 k( 218) = ( 0.1261550 -0.2474803 -0.0000000), wk = 0.0031746 k( 219) = ( 0.1187341 -0.2329226 0.0000000), wk = 0.0031746 k( 220) = ( 0.1113132 -0.2183650 0.0000000), wk = 0.0031746 k( 221) = ( 0.1038923 -0.2038073 -0.0000000), wk = 0.0031746 k( 222) = ( 0.0964715 -0.1892496 0.0000000), wk = 0.0031746 k( 223) = ( 0.0890506 -0.1746920 -0.0000000), wk = 0.0031746 k( 224) = ( 0.0816297 -0.1601343 -0.0000000), wk = 0.0031746 k( 225) = ( 0.0742088 -0.1455766 -0.0000000), wk = 0.0031746 k( 226) = ( 0.0667879 -0.1310190 -0.0000000), wk = 0.0031746 k( 227) = ( 0.0593670 -0.1164613 0.0000000), wk = 0.0031746 k( 228) = ( 0.0519462 -0.1019037 -0.0000000), wk = 0.0031746 k( 229) = ( 0.0445253 -0.0873460 0.0000000), wk = 0.0031746 k( 230) = ( 0.0371044 -0.0727883 0.0000000), wk = 0.0031746 k( 231) = ( 0.0296835 -0.0582306 -0.0000000), wk = 0.0031746 k( 232) = ( 0.0222626 -0.0436730 -0.0000000), wk = 0.0031746 k( 233) = ( 0.0148418 -0.0291153 -0.0000000), wk = 0.0031746 k( 234) = ( 0.0074209 -0.0145577 -0.0000000), wk = 0.0031746 k( 235) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 236) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 237) = ( 0.0128205 -0.0093074 -0.0038887), wk = 0.0031746 k( 238) = ( 0.0256410 -0.0186149 -0.0077775), wk = 0.0031746 k( 239) = ( 0.0384615 -0.0279223 -0.0116662), wk = 0.0031746 k( 240) = ( 0.0512821 -0.0372297 -0.0155550), wk = 0.0031746 k( 241) = ( 0.0641026 -0.0465371 -0.0194437), wk = 0.0031746 k( 242) = ( 0.0769231 -0.0558446 -0.0233324), wk = 0.0031746 k( 243) = ( 0.0897436 -0.0651520 -0.0272212), wk = 0.0031746 k( 244) = ( 0.1025641 -0.0744594 -0.0311099), wk = 0.0031746 k( 245) = ( 0.1153846 -0.0837669 -0.0349987), wk = 0.0031746 k( 246) = ( 0.1282051 -0.0930743 -0.0388874), wk = 0.0031746 k( 247) = ( 0.1410256 -0.1023817 -0.0427761), wk = 0.0031746 k( 248) = ( 0.1538461 -0.1116891 -0.0466649), wk = 0.0031746 k( 249) = ( 0.1666667 -0.1209966 -0.0505536), wk = 0.0031746 k( 250) = ( 0.1794872 -0.1303040 -0.0544424), wk = 0.0031746 k( 251) = ( 0.1923077 -0.1396114 -0.0583311), wk = 0.0031746 k( 252) = ( 0.2051282 -0.1489189 -0.0622198), wk = 0.0031746 k( 253) = ( 0.2179487 -0.1582263 -0.0661086), wk = 0.0031746 k( 254) = ( 0.2307692 -0.1675337 -0.0699973), wk = 0.0031746 k( 255) = ( 0.2435897 -0.1768411 -0.0738861), wk = 0.0031746 k( 256) = ( 0.2564103 -0.1861486 -0.0777748), wk = 0.0031746 k( 257) = ( 0.2692308 -0.1954560 -0.0816635), wk = 0.0031746 k( 258) = ( 0.2820513 -0.2047634 -0.0855523), wk = 0.0031746 k( 259) = ( 0.2948718 -0.2140708 -0.0894410), wk = 0.0031746 k( 260) = ( 0.3076923 -0.2233783 -0.0933298), wk = 0.0031746 k( 261) = ( 0.3205128 -0.2326857 -0.0972185), wk = 0.0031746 k( 262) = ( 0.3333333 -0.2419931 -0.1011072), wk = 0.0031746 k( 263) = ( 0.3461538 -0.2513006 -0.1049960), wk = 0.0031746 k( 264) = ( 0.3589744 -0.2606080 -0.1088847), wk = 0.0031746 k( 265) = ( 0.3717949 -0.2699154 -0.1127735), wk = 0.0031746 k( 266) = ( 0.3846154 -0.2792228 -0.1166622), wk = 0.0031746 k( 267) = ( 0.3974359 -0.2885303 -0.1205509), wk = 0.0031746 k( 268) = ( 0.4102564 -0.2978377 -0.1244397), wk = 0.0031746 k( 269) = ( 0.4230769 -0.3071451 -0.1283284), wk = 0.0031746 k( 270) = ( 0.4358974 -0.3164526 -0.1322172), wk = 0.0031746 k( 271) = ( 0.4487179 -0.3257600 -0.1361059), wk = 0.0031746 k( 272) = ( 0.4615385 -0.3350674 -0.1399946), wk = 0.0031746 k( 273) = ( 0.4743590 -0.3443748 -0.1438834), wk = 0.0031746 k( 274) = ( 0.4871795 -0.3536823 -0.1477721), wk = 0.0031746 k( 275) = ( 0.5000000 -0.3629897 -0.1516608), wk = 0.0031746 k( 276) = ( 0.5000000 -0.3629897 0.1779473), wk = 0.0031746 k( 277) = ( 0.4871795 -0.3536823 0.1733846), wk = 0.0031746 k( 278) = ( 0.4743590 -0.3443748 0.1688218), wk = 0.0031746 k( 279) = ( 0.4615385 -0.3350674 0.1642591), wk = 0.0031746 k( 280) = ( 0.4487179 -0.3257600 0.1596963), wk = 0.0031746 k( 281) = ( 0.4358974 -0.3164526 0.1551335), wk = 0.0031746 k( 282) = ( 0.4230769 -0.3071451 0.1505708), wk = 0.0031746 k( 283) = ( 0.4102564 -0.2978377 0.1460080), wk = 0.0031746 k( 284) = ( 0.3974359 -0.2885303 0.1414453), wk = 0.0031746 k( 285) = ( 0.3846154 -0.2792228 0.1368825), wk = 0.0031746 k( 286) = ( 0.3717949 -0.2699154 0.1323198), wk = 0.0031746 k( 287) = ( 0.3589744 -0.2606080 0.1277570), wk = 0.0031746 k( 288) = ( 0.3461538 -0.2513006 0.1231943), wk = 0.0031746 k( 289) = ( 0.3333333 -0.2419931 0.1186315), wk = 0.0031746 k( 290) = ( 0.3205128 -0.2326857 0.1140688), wk = 0.0031746 k( 291) = ( 0.3076923 -0.2233783 0.1095060), wk = 0.0031746 k( 292) = ( 0.2948718 -0.2140708 0.1049433), wk = 0.0031746 k( 293) = ( 0.2820513 -0.2047634 0.1003805), wk = 0.0031746 k( 294) = ( 0.2692308 -0.1954560 0.0958178), wk = 0.0031746 k( 295) = ( 0.2564103 -0.1861486 0.0912550), wk = 0.0031746 k( 296) = ( 0.2435897 -0.1768411 0.0866923), wk = 0.0031746 k( 297) = ( 0.2307692 -0.1675337 0.0821295), wk = 0.0031746 k( 298) = ( 0.2179487 -0.1582263 0.0775668), wk = 0.0031746 k( 299) = ( 0.2051282 -0.1489189 0.0730040), wk = 0.0031746 k( 300) = ( 0.1923077 -0.1396114 0.0684413), wk = 0.0031746 k( 301) = ( 0.1794872 -0.1303040 0.0638785), wk = 0.0031746 k( 302) = ( 0.1666667 -0.1209966 0.0593158), wk = 0.0031746 k( 303) = ( 0.1538461 -0.1116891 0.0547530), wk = 0.0031746 k( 304) = ( 0.1410256 -0.1023817 0.0501903), wk = 0.0031746 k( 305) = ( 0.1282051 -0.0930743 0.0456275), wk = 0.0031746 k( 306) = ( 0.1153846 -0.0837669 0.0410648), wk = 0.0031746 k( 307) = ( 0.1025641 -0.0744594 0.0365020), wk = 0.0031746 k( 308) = ( 0.0897436 -0.0651520 0.0319393), wk = 0.0031746 k( 309) = ( 0.0769231 -0.0558446 0.0273765), wk = 0.0031746 k( 310) = ( 0.0641026 -0.0465371 0.0228138), wk = 0.0031746 k( 311) = ( 0.0512821 -0.0372297 0.0182510), wk = 0.0031746 k( 312) = ( 0.0384615 -0.0279223 0.0136883), wk = 0.0031746 k( 313) = ( 0.0256410 -0.0186149 0.0091255), wk = 0.0031746 k( 314) = ( 0.0128205 -0.0093074 0.0045628), wk = 0.0031746 k( 315) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0128205 0.0128205 0.0000000), wk = 0.0031746 k( 3) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0031746 k( 4) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0031746 k( 5) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0031746 k( 6) = ( 0.0641026 0.0641026 -0.0000000), wk = 0.0031746 k( 7) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0031746 k( 8) = ( 0.0897436 0.0897436 0.0000000), wk = 0.0031746 k( 9) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0031746 k( 10) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0031746 k( 11) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0031746 k( 12) = ( 0.1410256 0.1410256 -0.0000000), wk = 0.0031746 k( 13) = ( 0.1538461 0.1538462 0.0000000), wk = 0.0031746 k( 14) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0031746 k( 15) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0031746 k( 16) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0031746 k( 17) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0031746 k( 18) = ( 0.2179487 0.2179487 -0.0000000), wk = 0.0031746 k( 19) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0031746 k( 20) = ( 0.2435897 0.2435897 -0.0000000), wk = 0.0031746 k( 21) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0031746 k( 22) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0031746 k( 23) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0031746 k( 24) = ( 0.2948718 0.2948718 -0.0000000), wk = 0.0031746 k( 25) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0031746 k( 26) = ( 0.3205128 0.3205128 0.0000000), wk = 0.0031746 k( 27) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031746 k( 28) = ( 0.3461538 0.3461538 0.0000000), wk = 0.0031746 k( 29) = ( 0.3589744 0.3589744 0.0000000), wk = 0.0031746 k( 30) = ( 0.3717949 0.3717949 0.0000000), wk = 0.0031746 k( 31) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0031746 k( 32) = ( 0.3974359 0.3974359 -0.0000000), wk = 0.0031746 k( 33) = ( 0.4102564 0.4102564 -0.0000000), wk = 0.0031746 k( 34) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0031746 k( 35) = ( 0.4358974 0.4358974 -0.0000000), wk = 0.0031746 k( 36) = ( 0.4487179 0.4487179 -0.0000000), wk = 0.0031746 k( 37) = ( 0.4615385 0.4615385 0.0000000), wk = 0.0031746 k( 38) = ( 0.4743590 0.4743590 0.0000000), wk = 0.0031746 k( 39) = ( 0.4871795 0.4871795 -0.0000000), wk = 0.0031746 k( 40) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031746 k( 41) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031746 k( 42) = ( 0.5063287 0.5063287 0.0257617), wk = 0.0031746 k( 43) = ( 0.5126574 0.5126574 0.0515233), wk = 0.0031746 k( 44) = ( 0.5126574 0.5126574 0.0515233), wk = 0.0031746 k( 45) = ( 0.5119913 0.5119913 0.0751273), wk = 0.0031746 k( 46) = ( 0.5113251 0.5113251 0.0987314), wk = 0.0031746 k( 47) = ( 0.5106589 0.5106589 0.1223354), wk = 0.0031746 k( 48) = ( 0.5099927 0.5099927 0.1459394), wk = 0.0031746 k( 49) = ( 0.5093265 0.5093265 0.1695435), wk = 0.0031746 k( 50) = ( 0.5086603 0.5086603 0.1931475), wk = 0.0031746 k( 51) = ( 0.5079942 0.5079942 0.2167516), wk = 0.0031746 k( 52) = ( 0.5073280 0.5073280 0.2403556), wk = 0.0031746 k( 53) = ( 0.5066618 0.5066618 0.2639596), wk = 0.0031746 k( 54) = ( 0.5059956 0.5059956 0.2875637), wk = 0.0031746 k( 55) = ( 0.5053294 0.5053295 0.3111677), wk = 0.0031746 k( 56) = ( 0.5046633 0.5046633 0.3347718), wk = 0.0031746 k( 57) = ( 0.5039971 0.5039971 0.3583758), wk = 0.0031746 k( 58) = ( 0.5033309 0.5033309 0.3819798), wk = 0.0031746 k( 59) = ( 0.5026647 0.5026647 0.4055839), wk = 0.0031746 k( 60) = ( 0.5019985 0.5019985 0.4291879), wk = 0.0031746 k( 61) = ( 0.5013324 0.5013324 0.4527919), wk = 0.0031746 k( 62) = ( 0.5006662 0.5006662 0.4763960), wk = 0.0031746 k( 63) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 64) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 65) = ( 0.5074036 0.4925964 0.5000000), wk = 0.0031746 k( 66) = ( 0.5148073 0.4851927 0.5000000), wk = 0.0031746 k( 67) = ( 0.5222110 0.4777890 0.5000000), wk = 0.0031746 k( 68) = ( 0.5296146 0.4703854 0.5000000), wk = 0.0031746 k( 69) = ( 0.5370183 0.4629817 0.5000000), wk = 0.0031746 k( 70) = ( 0.5444219 0.4555781 0.5000000), wk = 0.0031746 k( 71) = ( 0.5518256 0.4481744 0.5000000), wk = 0.0031746 k( 72) = ( 0.5592292 0.4407708 0.5000000), wk = 0.0031746 k( 73) = ( 0.5666329 0.4333671 0.5000000), wk = 0.0031746 k( 74) = ( 0.5740365 0.4259635 0.5000000), wk = 0.0031746 k( 75) = ( 0.5814402 0.4185598 0.5000000), wk = 0.0031746 k( 76) = ( 0.5888438 0.4111562 0.5000000), wk = 0.0031746 k( 77) = ( 0.5962475 0.4037525 0.5000000), wk = 0.0031746 k( 78) = ( 0.6036511 0.3963489 0.5000000), wk = 0.0031746 k( 79) = ( 0.6110548 0.3889452 0.5000000), wk = 0.0031746 k( 80) = ( 0.6184584 0.3815416 0.5000000), wk = 0.0031746 k( 81) = ( 0.6258621 0.3741379 0.5000000), wk = 0.0031746 k( 82) = ( 0.6332658 0.3667342 0.5000000), wk = 0.0031746 k( 83) = ( 0.6406694 0.3593306 0.5000000), wk = 0.0031746 k( 84) = ( 0.6480731 0.3519269 0.5000000), wk = 0.0031746 k( 85) = ( 0.6554767 0.3445233 0.5000000), wk = 0.0031746 k( 86) = ( 0.6628804 0.3371196 0.5000000), wk = 0.0031746 k( 87) = ( 0.6702840 0.3297160 0.5000000), wk = 0.0031746 k( 88) = ( 0.6776877 0.3223123 0.5000000), wk = 0.0031746 k( 89) = ( 0.6850913 0.3149087 0.5000000), wk = 0.0031746 k( 90) = ( 0.6924950 0.3075050 0.5000000), wk = 0.0031746 k( 91) = ( 0.6998986 0.3001014 0.5000000), wk = 0.0031746 k( 92) = ( 0.7073023 0.2926977 0.5000000), wk = 0.0031746 k( 93) = ( 0.2926977 -0.2926977 0.5000000), wk = 0.0031746 k( 94) = ( 0.2851926 -0.2851926 0.5000000), wk = 0.0031746 k( 95) = ( 0.2776876 -0.2776876 0.5000000), wk = 0.0031746 k( 96) = ( 0.2701825 -0.2701825 0.5000000), wk = 0.0031746 k( 97) = ( 0.2626774 -0.2626774 0.5000000), wk = 0.0031746 k( 98) = ( 0.2551724 -0.2551724 0.5000000), wk = 0.0031746 k( 99) = ( 0.2476673 -0.2476673 0.5000000), wk = 0.0031746 k( 100) = ( 0.2401622 -0.2401622 0.5000000), wk = 0.0031746 k( 101) = ( 0.2326572 -0.2326572 0.5000000), wk = 0.0031746 k( 102) = ( 0.2251521 -0.2251521 0.5000000), wk = 0.0031746 k( 103) = ( 0.2176470 -0.2176470 0.5000000), wk = 0.0031746 k( 104) = ( 0.2101419 -0.2101419 0.5000000), wk = 0.0031746 k( 105) = ( 0.2026369 -0.2026369 0.5000000), wk = 0.0031746 k( 106) = ( 0.1951318 -0.1951318 0.5000000), wk = 0.0031746 k( 107) = ( 0.1876267 -0.1876267 0.5000000), wk = 0.0031746 k( 108) = ( 0.1801217 -0.1801217 0.5000000), wk = 0.0031746 k( 109) = ( 0.1726166 -0.1726166 0.5000000), wk = 0.0031746 k( 110) = ( 0.1651115 -0.1651115 0.5000000), wk = 0.0031746 k( 111) = ( 0.1576065 -0.1576065 0.5000000), wk = 0.0031746 k( 112) = ( 0.1501014 -0.1501014 0.5000000), wk = 0.0031746 k( 113) = ( 0.1425963 -0.1425963 0.5000000), wk = 0.0031746 k( 114) = ( 0.1350912 -0.1350912 0.5000000), wk = 0.0031746 k( 115) = ( 0.1275862 -0.1275862 0.5000000), wk = 0.0031746 k( 116) = ( 0.1200811 -0.1200811 0.5000000), wk = 0.0031746 k( 117) = ( 0.1125760 -0.1125760 0.5000000), wk = 0.0031746 k( 118) = ( 0.1050710 -0.1050710 0.5000000), wk = 0.0031746 k( 119) = ( 0.0975659 -0.0975659 0.5000000), wk = 0.0031746 k( 120) = ( 0.0900608 -0.0900608 0.5000000), wk = 0.0031746 k( 121) = ( 0.0825558 -0.0825558 0.5000000), wk = 0.0031746 k( 122) = ( 0.0750507 -0.0750507 0.5000000), wk = 0.0031746 k( 123) = ( 0.0675456 -0.0675456 0.5000000), wk = 0.0031746 k( 124) = ( 0.0600406 -0.0600406 0.5000000), wk = 0.0031746 k( 125) = ( 0.0525355 -0.0525355 0.5000000), wk = 0.0031746 k( 126) = ( 0.0450304 -0.0450304 0.5000000), wk = 0.0031746 k( 127) = ( 0.0375253 -0.0375253 0.5000000), wk = 0.0031746 k( 128) = ( 0.0300203 -0.0300203 0.5000000), wk = 0.0031746 k( 129) = ( 0.0225152 -0.0225152 0.5000000), wk = 0.0031746 k( 130) = ( 0.0150101 -0.0150101 0.5000000), wk = 0.0031746 k( 131) = ( 0.0075051 -0.0075051 0.5000000), wk = 0.0031746 k( 132) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 133) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 134) = ( 0.0147680 0.0147680 0.5135902), wk = 0.0031746 k( 135) = ( 0.0295359 0.0295359 0.5271804), wk = 0.0031746 k( 136) = ( 0.0443039 0.0443039 0.5407706), wk = 0.0031746 k( 137) = ( 0.0590718 0.0590718 0.5543608), wk = 0.0031746 k( 138) = ( 0.0738398 0.0738398 0.5679510), wk = 0.0031746 k( 139) = ( 0.0886077 0.0886077 0.5815412), wk = 0.0031746 k( 140) = ( 0.1033757 0.1033757 0.5951314), wk = 0.0031746 k( 141) = ( 0.1181437 0.1181437 0.6087216), wk = 0.0031746 k( 142) = ( 0.1329116 0.1329116 0.6223118), wk = 0.0031746 k( 143) = ( 0.1476796 0.1476796 0.6359020), wk = 0.0031746 k( 144) = ( 0.1624475 0.1624475 0.6494922), wk = 0.0031746 k( 145) = ( 0.1772155 0.1772155 0.6630824), wk = 0.0031746 k( 146) = ( 0.1919834 0.1919834 0.6766726), wk = 0.0031746 k( 147) = ( 0.2067514 0.2067514 0.6902628), wk = 0.0031746 k( 148) = ( 0.2215194 0.2215194 0.7038530), wk = 0.0031746 k( 149) = ( 0.2362873 0.2362873 0.7174432), wk = 0.0031746 k( 150) = ( 0.2510553 0.2510553 0.7310334), wk = 0.0031746 k( 151) = ( 0.2658232 0.2658232 0.7446236), wk = 0.0031746 k( 152) = ( 0.2805912 0.2805912 0.7582138), wk = 0.0031746 k( 153) = ( 0.2953591 0.2953591 0.7718041), wk = 0.0031746 k( 154) = ( 0.3101271 0.3101271 0.7853943), wk = 0.0031746 k( 155) = ( 0.3248950 0.3248950 0.7989845), wk = 0.0031746 k( 156) = ( 0.3396630 0.3396630 0.8125747), wk = 0.0031746 k( 157) = ( 0.3544310 0.3544310 0.8261649), wk = 0.0031746 k( 158) = ( 0.3691989 0.3691989 0.8397551), wk = 0.0031746 k( 159) = ( 0.3839669 0.3839669 0.8533453), wk = 0.0031746 k( 160) = ( 0.3987348 0.3987348 0.8669355), wk = 0.0031746 k( 161) = ( 0.4135028 0.4135028 0.8805257), wk = 0.0031746 k( 162) = ( 0.4282707 0.4282707 0.8941159), wk = 0.0031746 k( 163) = ( 0.4430387 0.4430387 0.9077061), wk = 0.0031746 k( 164) = ( 0.4578066 0.4578067 0.9212963), wk = 0.0031746 k( 165) = ( 0.4725746 0.4725746 0.9348865), wk = 0.0031746 k( 166) = ( 0.4873426 0.4873426 0.9484767), wk = 0.0031746 k( 167) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031746 k( 168) = ( 0.5075482 0.4924518 0.0000000), wk = 0.0031746 k( 169) = ( 0.5150964 0.4849036 -0.0000000), wk = 0.0031746 k( 170) = ( 0.5226446 0.4773554 -0.0000000), wk = 0.0031746 k( 171) = ( 0.5301928 0.4698072 -0.0000000), wk = 0.0031746 k( 172) = ( 0.5377410 0.4622590 0.0000000), wk = 0.0031746 k( 173) = ( 0.5452892 0.4547108 0.0000000), wk = 0.0031746 k( 174) = ( 0.5528374 0.4471626 0.0000000), wk = 0.0031746 k( 175) = ( 0.5603856 0.4396144 0.0000000), wk = 0.0031746 k( 176) = ( 0.5679338 0.4320662 0.0000000), wk = 0.0031746 k( 177) = ( 0.5754820 0.4245180 0.0000000), wk = 0.0031746 k( 178) = ( 0.5830302 0.4169698 0.0000000), wk = 0.0031746 k( 179) = ( 0.5905784 0.4094216 0.0000000), wk = 0.0031746 k( 180) = ( 0.5981266 0.4018734 0.0000000), wk = 0.0031746 k( 181) = ( 0.6056748 0.3943252 -0.0000000), wk = 0.0031746 k( 182) = ( 0.6132230 0.3867770 0.0000000), wk = 0.0031746 k( 183) = ( 0.6207712 0.3792288 0.0000000), wk = 0.0031746 k( 184) = ( 0.6283194 0.3716806 0.0000000), wk = 0.0031746 k( 185) = ( 0.6358675 0.3641325 -0.0000000), wk = 0.0031746 k( 186) = ( 0.6434157 0.3565843 -0.0000000), wk = 0.0031746 k( 187) = ( 0.6509639 0.3490361 -0.0000000), wk = 0.0031746 k( 188) = ( 0.6585121 0.3414878 -0.0000000), wk = 0.0031746 k( 189) = ( 0.6660603 0.3339397 0.0000000), wk = 0.0031746 k( 190) = ( 0.3339397 -0.3339397 -0.0000000), wk = 0.0031746 k( 191) = ( 0.3265188 -0.3265188 0.0000000), wk = 0.0031746 k( 192) = ( 0.3190979 -0.3190979 0.0000000), wk = 0.0031746 k( 193) = ( 0.3116770 -0.3116770 -0.0000000), wk = 0.0031746 k( 194) = ( 0.3042561 -0.3042561 -0.0000000), wk = 0.0031746 k( 195) = ( 0.2968352 -0.2968352 0.0000000), wk = 0.0031746 k( 196) = ( 0.2894144 -0.2894144 -0.0000000), wk = 0.0031746 k( 197) = ( 0.2819935 -0.2819935 0.0000000), wk = 0.0031746 k( 198) = ( 0.2745726 -0.2745726 -0.0000000), wk = 0.0031746 k( 199) = ( 0.2671517 -0.2671517 -0.0000000), wk = 0.0031746 k( 200) = ( 0.2597308 -0.2597308 -0.0000000), wk = 0.0031746 k( 201) = ( 0.2523100 -0.2523100 -0.0000000), wk = 0.0031746 k( 202) = ( 0.2448891 -0.2448891 -0.0000000), wk = 0.0031746 k( 203) = ( 0.2374682 -0.2374682 0.0000000), wk = 0.0031746 k( 204) = ( 0.2300473 -0.2300473 -0.0000000), wk = 0.0031746 k( 205) = ( 0.2226264 -0.2226264 0.0000000), wk = 0.0031746 k( 206) = ( 0.2152056 -0.2152056 -0.0000000), wk = 0.0031746 k( 207) = ( 0.2077847 -0.2077847 0.0000000), wk = 0.0031746 k( 208) = ( 0.2003638 -0.2003638 -0.0000000), wk = 0.0031746 k( 209) = ( 0.1929429 -0.1929429 0.0000000), wk = 0.0031746 k( 210) = ( 0.1855220 -0.1855220 -0.0000000), wk = 0.0031746 k( 211) = ( 0.1781012 -0.1781012 -0.0000000), wk = 0.0031746 k( 212) = ( 0.1706803 -0.1706803 -0.0000000), wk = 0.0031746 k( 213) = ( 0.1632594 -0.1632594 0.0000000), wk = 0.0031746 k( 214) = ( 0.1558385 -0.1558385 -0.0000000), wk = 0.0031746 k( 215) = ( 0.1484176 -0.1484176 -0.0000000), wk = 0.0031746 k( 216) = ( 0.1409967 -0.1409967 -0.0000000), wk = 0.0031746 k( 217) = ( 0.1335759 -0.1335759 -0.0000000), wk = 0.0031746 k( 218) = ( 0.1261550 -0.1261550 -0.0000000), wk = 0.0031746 k( 219) = ( 0.1187341 -0.1187341 0.0000000), wk = 0.0031746 k( 220) = ( 0.1113132 -0.1113132 0.0000000), wk = 0.0031746 k( 221) = ( 0.1038923 -0.1038923 -0.0000000), wk = 0.0031746 k( 222) = ( 0.0964715 -0.0964715 -0.0000000), wk = 0.0031746 k( 223) = ( 0.0890506 -0.0890506 -0.0000000), wk = 0.0031746 k( 224) = ( 0.0816297 -0.0816297 -0.0000000), wk = 0.0031746 k( 225) = ( 0.0742088 -0.0742088 -0.0000000), wk = 0.0031746 k( 226) = ( 0.0667879 -0.0667879 -0.0000000), wk = 0.0031746 k( 227) = ( 0.0593670 -0.0593670 0.0000000), wk = 0.0031746 k( 228) = ( 0.0519462 -0.0519462 -0.0000000), wk = 0.0031746 k( 229) = ( 0.0445253 -0.0445253 0.0000000), wk = 0.0031746 k( 230) = ( 0.0371044 -0.0371044 -0.0000000), wk = 0.0031746 k( 231) = ( 0.0296835 -0.0296835 -0.0000000), wk = 0.0031746 k( 232) = ( 0.0222626 -0.0222626 0.0000000), wk = 0.0031746 k( 233) = ( 0.0148418 -0.0148418 -0.0000000), wk = 0.0031746 k( 234) = ( 0.0074209 -0.0074209 -0.0000000), wk = 0.0031746 k( 235) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 236) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 237) = ( 0.0128205 0.0000000 -0.0000000), wk = 0.0031746 k( 238) = ( 0.0256410 0.0000000 0.0000000), wk = 0.0031746 k( 239) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0031746 k( 240) = ( 0.0512821 -0.0000000 0.0000000), wk = 0.0031746 k( 241) = ( 0.0641026 0.0000000 -0.0000000), wk = 0.0031746 k( 242) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0031746 k( 243) = ( 0.0897436 -0.0000000 -0.0000000), wk = 0.0031746 k( 244) = ( 0.1025641 -0.0000000 0.0000000), wk = 0.0031746 k( 245) = ( 0.1153846 0.0000000 -0.0000000), wk = 0.0031746 k( 246) = ( 0.1282051 0.0000000 0.0000000), wk = 0.0031746 k( 247) = ( 0.1410256 0.0000000 0.0000000), wk = 0.0031746 k( 248) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0031746 k( 249) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0031746 k( 250) = ( 0.1794872 -0.0000000 -0.0000000), wk = 0.0031746 k( 251) = ( 0.1923077 -0.0000000 -0.0000000), wk = 0.0031746 k( 252) = ( 0.2051282 -0.0000000 0.0000000), wk = 0.0031746 k( 253) = ( 0.2179487 -0.0000000 -0.0000000), wk = 0.0031746 k( 254) = ( 0.2307692 -0.0000000 0.0000000), wk = 0.0031746 k( 255) = ( 0.2435897 0.0000000 -0.0000000), wk = 0.0031746 k( 256) = ( 0.2564103 0.0000000 0.0000000), wk = 0.0031746 k( 257) = ( 0.2692308 0.0000000 -0.0000000), wk = 0.0031746 k( 258) = ( 0.2820513 0.0000000 0.0000000), wk = 0.0031746 k( 259) = ( 0.2948718 0.0000000 -0.0000000), wk = 0.0031746 k( 260) = ( 0.3076923 0.0000000 -0.0000000), wk = 0.0031746 k( 261) = ( 0.3205128 -0.0000000 0.0000000), wk = 0.0031746 k( 262) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0031746 k( 263) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0031746 k( 264) = ( 0.3589744 -0.0000000 -0.0000000), wk = 0.0031746 k( 265) = ( 0.3717949 0.0000000 0.0000000), wk = 0.0031746 k( 266) = ( 0.3846154 -0.0000000 -0.0000000), wk = 0.0031746 k( 267) = ( 0.3974359 -0.0000000 -0.0000000), wk = 0.0031746 k( 268) = ( 0.4102564 0.0000000 0.0000000), wk = 0.0031746 k( 269) = ( 0.4230769 -0.0000000 -0.0000000), wk = 0.0031746 k( 270) = ( 0.4358974 -0.0000000 -0.0000000), wk = 0.0031746 k( 271) = ( 0.4487179 0.0000000 -0.0000000), wk = 0.0031746 k( 272) = ( 0.4615385 -0.0000000 0.0000000), wk = 0.0031746 k( 273) = ( 0.4743590 0.0000000 0.0000000), wk = 0.0031746 k( 274) = ( 0.4871795 0.0000000 -0.0000000), wk = 0.0031746 k( 275) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031746 k( 276) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031746 k( 277) = ( 0.4871795 0.0000000 0.4871795), wk = 0.0031746 k( 278) = ( 0.4743590 0.0000000 0.4743590), wk = 0.0031746 k( 279) = ( 0.4615385 -0.0000000 0.4615385), wk = 0.0031746 k( 280) = ( 0.4487179 0.0000000 0.4487179), wk = 0.0031746 k( 281) = ( 0.4358974 -0.0000000 0.4358974), wk = 0.0031746 k( 282) = ( 0.4230769 -0.0000000 0.4230769), wk = 0.0031746 k( 283) = ( 0.4102564 0.0000000 0.4102564), wk = 0.0031746 k( 284) = ( 0.3974359 -0.0000000 0.3974359), wk = 0.0031746 k( 285) = ( 0.3846154 -0.0000000 0.3846154), wk = 0.0031746 k( 286) = ( 0.3717949 0.0000000 0.3717949), wk = 0.0031746 k( 287) = ( 0.3589744 -0.0000000 0.3589744), wk = 0.0031746 k( 288) = ( 0.3461538 0.0000000 0.3461538), wk = 0.0031746 k( 289) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0031746 k( 290) = ( 0.3205128 -0.0000000 0.3205128), wk = 0.0031746 k( 291) = ( 0.3076923 0.0000000 0.3076923), wk = 0.0031746 k( 292) = ( 0.2948718 0.0000000 0.2948718), wk = 0.0031746 k( 293) = ( 0.2820513 0.0000000 0.2820513), wk = 0.0031746 k( 294) = ( 0.2692308 0.0000000 0.2692308), wk = 0.0031746 k( 295) = ( 0.2564103 0.0000000 0.2564103), wk = 0.0031746 k( 296) = ( 0.2435897 0.0000000 0.2435897), wk = 0.0031746 k( 297) = ( 0.2307692 -0.0000000 0.2307692), wk = 0.0031746 k( 298) = ( 0.2179487 -0.0000000 0.2179487), wk = 0.0031746 k( 299) = ( 0.2051282 -0.0000000 0.2051282), wk = 0.0031746 k( 300) = ( 0.1923077 -0.0000000 0.1923077), wk = 0.0031746 k( 301) = ( 0.1794872 -0.0000000 0.1794872), wk = 0.0031746 k( 302) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0031746 k( 303) = ( 0.1538461 0.0000000 0.1538461), wk = 0.0031746 k( 304) = ( 0.1410256 0.0000000 0.1410256), wk = 0.0031746 k( 305) = ( 0.1282051 0.0000000 0.1282051), wk = 0.0031746 k( 306) = ( 0.1153846 0.0000000 0.1153846), wk = 0.0031746 k( 307) = ( 0.1025641 -0.0000000 0.1025641), wk = 0.0031746 k( 308) = ( 0.0897436 -0.0000000 0.0897436), wk = 0.0031746 k( 309) = ( 0.0769231 0.0000000 0.0769231), wk = 0.0031746 k( 310) = ( 0.0641026 0.0000000 0.0641026), wk = 0.0031746 k( 311) = ( 0.0512821 -0.0000000 0.0512821), wk = 0.0031746 k( 312) = ( 0.0384615 0.0000000 0.0384615), wk = 0.0031746 k( 313) = ( 0.0256410 0.0000000 0.0256410), wk = 0.0031746 k( 314) = ( 0.0128205 0.0000000 0.0128205), wk = 0.0031746 k( 315) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 Dense grid: 53799 G-vectors FFT dimensions: ( 45, 45, 75) Smooth grid: 40553 G-vectors FFT dimensions: ( 40, 40, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 290, 52) NL pseudopotentials 0.46 Mb ( 145, 206) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.01 Mb ( 1496) G-vector shells 0.01 Mb ( 1463) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.92 Mb ( 290, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.33 Mb ( 206, 2, 52) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./BaS2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.4 secs Computing kpt #: 8 total cpu time spent up to now is 6.9 secs Computing kpt #: 9 total cpu time spent up to now is 7.4 secs Computing kpt #: 10 total cpu time spent up to now is 8.0 secs Computing kpt #: 11 total cpu time spent up to now is 8.5 secs Computing kpt #: 12 total cpu time spent up to now is 9.2 secs Computing kpt #: 13 total cpu time spent up to now is 9.7 secs Computing kpt #: 14 total cpu time spent up to now is 10.3 secs Computing kpt #: 15 total cpu time spent up to now is 10.9 secs Computing kpt #: 16 total cpu time spent up to now is 11.4 secs Computing kpt #: 17 total cpu time spent up to now is 11.9 secs Computing kpt #: 18 total cpu time spent up to now is 12.4 secs Computing kpt #: 19 total cpu time spent up to now is 13.0 secs Computing kpt #: 20 total cpu time spent up to now is 13.5 secs Computing kpt #: 21 total cpu time spent up to now is 14.0 secs Computing kpt #: 22 total cpu time spent up to now is 14.6 secs Computing kpt #: 23 total cpu time spent up to now is 15.1 secs Computing kpt #: 24 total cpu time spent up to now is 15.6 secs Computing kpt #: 25 total cpu time spent up to now is 16.2 secs Computing kpt #: 26 total cpu time spent up to now is 16.8 secs Computing kpt #: 27 total cpu time spent up to now is 17.4 secs Computing kpt #: 28 total cpu time spent up to now is 18.0 secs Computing kpt #: 29 total cpu time spent up to now is 18.6 secs Computing kpt #: 30 total cpu time spent up to now is 19.2 secs Computing kpt #: 31 total cpu time spent up to now is 19.8 secs Computing kpt #: 32 total cpu time spent up to now is 20.5 secs Computing kpt #: 33 total cpu time spent up to now is 21.1 secs Computing kpt #: 34 total cpu time spent up to now is 21.7 secs Computing kpt #: 35 total cpu time spent up to now is 22.3 secs Computing kpt #: 36 total cpu time spent up to now is 22.9 secs Computing kpt #: 37 total cpu time spent up to now is 23.5 secs Computing kpt #: 38 total cpu time spent up to now is 24.1 secs Computing kpt #: 39 total cpu time spent up to now is 24.7 secs Computing kpt #: 40 total cpu time spent up to now is 25.3 secs Computing kpt #: 41 total cpu time spent up to now is 25.9 secs Computing kpt #: 42 total cpu time spent up to now is 26.5 secs Computing kpt #: 43 total cpu time spent up to now is 27.1 secs Computing kpt #: 44 total cpu time spent up to now is 27.7 secs Computing kpt #: 45 total cpu time spent up to now is 28.3 secs Computing kpt #: 46 total cpu time spent up to now is 28.9 secs Computing kpt #: 47 total cpu time spent up to now is 29.6 secs Computing kpt #: 48 total cpu time spent up to now is 30.2 secs Computing kpt #: 49 total cpu time spent up to now is 30.8 secs Computing kpt #: 50 total cpu time spent up to now is 31.4 secs Computing kpt #: 51 total cpu time spent up to now is 32.0 secs Computing kpt #: 52 total cpu time spent up to now is 32.6 secs Computing kpt #: 53 total cpu time spent up to now is 33.3 secs Computing kpt #: 54 total cpu time spent up to now is 33.9 secs Computing kpt #: 55 total cpu time spent up to now is 34.5 secs Computing kpt #: 56 total cpu time spent up to now is 35.1 secs Computing kpt #: 57 total cpu time spent up to now is 35.6 secs Computing kpt #: 58 total cpu time spent up to now is 36.2 secs Computing kpt #: 59 total cpu time spent up to now is 36.7 secs Computing kpt #: 60 total cpu time spent up to now is 37.3 secs Computing kpt #: 61 total cpu time spent up to now is 37.8 secs Computing kpt #: 62 total cpu time spent up to now is 38.4 secs Computing kpt #: 63 total cpu time spent up to now is 38.9 secs Computing kpt #: 64 total cpu time spent up to now is 39.5 secs Computing kpt #: 65 total cpu time spent up to now is 40.0 secs Computing kpt #: 66 total cpu time spent up to now is 40.6 secs Computing kpt #: 67 total cpu time spent up to now is 41.1 secs Computing kpt #: 68 total cpu time spent up to now is 41.7 secs Computing kpt #: 69 total cpu time spent up to now is 42.3 secs Computing kpt #: 70 total cpu time spent up to now is 42.8 secs Computing kpt #: 71 total cpu time spent up to now is 43.4 secs Computing kpt #: 72 total cpu time spent up to now is 43.9 secs Computing kpt #: 73 total cpu time spent up to now is 44.5 secs Computing kpt #: 74 total cpu time spent up to now is 45.0 secs Computing kpt #: 75 total cpu time spent up to now is 45.6 secs Computing kpt #: 76 total cpu time spent up to now is 46.2 secs Computing kpt #: 77 total cpu time spent up to now is 46.7 secs Computing kpt #: 78 total cpu time spent up to now is 47.3 secs Computing kpt #: 79 total cpu time spent up to now is 47.8 secs Computing kpt #: 80 total cpu time spent up to now is 48.4 secs Computing kpt #: 81 total cpu time spent up to now is 49.0 secs Computing kpt #: 82 total cpu time spent up to now is 49.6 secs Computing kpt #: 83 total cpu time spent up to now is 50.2 secs Computing kpt #: 84 total cpu time spent up to now is 50.8 secs Computing kpt #: 85 total cpu time spent up to now is 51.4 secs Computing kpt #: 86 total cpu time spent up to now is 51.9 secs Computing kpt #: 87 total cpu time spent up to now is 52.5 secs Computing kpt #: 88 total cpu time spent up to now is 53.0 secs Computing kpt #: 89 total cpu time spent up to now is 53.6 secs Computing kpt #: 90 total cpu time spent up to now is 54.1 secs Computing kpt #: 91 total cpu time spent up to now is 54.7 secs Computing kpt #: 92 total cpu time spent up to now is 55.2 secs Computing kpt #: 93 total cpu time spent up to now is 55.7 secs Computing kpt #: 94 total cpu time spent up to now is 56.3 secs Computing kpt #: 95 total cpu time spent up to now is 56.8 secs Computing kpt #: 96 total cpu time spent up to now is 57.3 secs Computing kpt #: 97 total cpu time spent up to now is 57.9 secs Computing kpt #: 98 total cpu time spent up to now is 58.4 secs Computing kpt #: 99 total cpu time spent up to now is 58.9 secs Computing kpt #: 100 total cpu time spent up to now is 59.5 secs Computing kpt #: 101 total cpu time spent up to now is 60.0 secs Computing kpt #: 102 total cpu time spent up to now is 60.5 secs Computing kpt #: 103 total cpu time spent up to now is 61.1 secs Computing kpt #: 104 total cpu time spent up to now is 61.6 secs Computing kpt #: 105 total cpu time spent up to now is 62.1 secs Computing kpt #: 106 total cpu time spent up to now is 62.7 secs Computing kpt #: 107 total cpu time spent up to now is 63.2 secs Computing kpt #: 108 total cpu time spent up to now is 63.7 secs Computing kpt #: 109 total cpu time spent up to now is 64.3 secs Computing kpt #: 110 total cpu time spent up to now is 64.8 secs Computing kpt #: 111 total cpu time spent up to now is 65.3 secs Computing kpt #: 112 total cpu time spent up to now is 65.8 secs Computing kpt #: 113 total cpu time spent up to now is 66.3 secs Computing kpt #: 114 total cpu time spent up to now is 66.9 secs Computing kpt #: 115 total cpu time spent up to now is 67.4 secs Computing kpt #: 116 total cpu time spent up to now is 68.0 secs Computing kpt #: 117 total cpu time spent up to now is 68.6 secs Computing kpt #: 118 total cpu time spent up to now is 69.2 secs Computing kpt #: 119 total cpu time spent up to now is 69.8 secs Computing kpt #: 120 total cpu time spent up to now is 70.4 secs Computing kpt #: 121 total cpu time spent up to now is 71.0 secs Computing kpt #: 122 total cpu time spent up to now is 71.6 secs Computing kpt #: 123 total cpu time spent up to now is 72.2 secs Computing kpt #: 124 total cpu time spent up to now is 72.8 secs Computing kpt #: 125 total cpu time spent up to now is 73.4 secs Computing kpt #: 126 total cpu time spent up to now is 73.9 secs Computing kpt #: 127 total cpu time spent up to now is 74.4 secs Computing kpt #: 128 total cpu time spent up to now is 74.9 secs Computing kpt #: 129 total cpu time spent up to now is 75.5 secs Computing kpt #: 130 total cpu time spent up to now is 76.0 secs Computing kpt #: 131 total cpu time spent up to now is 76.5 secs Computing kpt #: 132 total cpu time spent up to now is 77.0 secs Computing kpt #: 133 total cpu time spent up to now is 77.5 secs Computing kpt #: 134 total cpu time spent up to now is 78.1 secs Computing kpt #: 135 total cpu time spent up to now is 78.6 secs Computing kpt #: 136 total cpu time spent up to now is 80.6 secs Computing kpt #: 137 total cpu time spent up to now is 81.2 secs Computing kpt #: 138 total cpu time spent up to now is 81.7 secs Computing kpt #: 139 total cpu time spent up to now is 82.2 secs Computing kpt #: 140 total cpu time spent up to now is 82.7 secs Computing kpt #: 141 total cpu time spent up to now is 83.3 secs Computing kpt #: 142 total cpu time spent up to now is 83.9 secs Computing kpt #: 143 total cpu time spent up to now is 84.6 secs Computing kpt #: 144 total cpu time spent up to now is 85.2 secs Computing kpt #: 145 total cpu time spent up to now is 85.8 secs Computing kpt #: 146 total cpu time spent up to now is 86.4 secs Computing kpt #: 147 total cpu time spent up to now is 86.9 secs Computing kpt #: 148 total cpu time spent up to now is 87.5 secs Computing kpt #: 149 total cpu time spent up to now is 88.0 secs Computing kpt #: 150 total cpu time spent up to now is 88.5 secs Computing kpt #: 151 total cpu time spent up to now is 89.1 secs Computing kpt #: 152 total cpu time spent up to now is 89.6 secs Computing kpt #: 153 total cpu time spent up to now is 90.2 secs Computing kpt #: 154 total cpu time spent up to now is 90.7 secs Computing kpt #: 155 total cpu time spent up to now is 91.2 secs Computing kpt #: 156 total cpu time spent up to now is 91.8 secs Computing kpt #: 157 total cpu time spent up to now is 92.4 secs Computing kpt #: 158 total cpu time spent up to now is 92.9 secs Computing kpt #: 159 total cpu time spent up to now is 93.5 secs Computing kpt #: 160 total cpu time spent up to now is 94.1 secs Computing kpt #: 161 total cpu time spent up to now is 94.7 secs Computing kpt #: 162 total cpu time spent up to now is 95.4 secs Computing kpt #: 163 total cpu time spent up to now is 96.0 secs Computing kpt #: 164 total cpu time spent up to now is 96.6 secs Computing kpt #: 165 total cpu time spent up to now is 97.2 secs Computing kpt #: 166 total cpu time spent up to now is 97.8 secs Computing kpt #: 167 total cpu time spent up to now is 98.4 secs Computing kpt #: 168 total cpu time spent up to now is 99.0 secs Computing kpt #: 169 total cpu time spent up to now is 99.6 secs Computing kpt #: 170 total cpu time spent up to now is 100.2 secs Computing kpt #: 171 total cpu time spent up to now is 100.8 secs Computing kpt #: 172 total cpu time spent up to now is 101.4 secs Computing kpt #: 173 total cpu time spent up to now is 102.0 secs Computing kpt #: 174 total cpu time spent up to now is 102.6 secs Computing kpt #: 175 total cpu time spent up to now is 103.2 secs Computing kpt #: 176 total cpu time spent up to now is 103.8 secs Computing kpt #: 177 total cpu time spent up to now is 104.4 secs Computing kpt #: 178 total cpu time spent up to now is 104.9 secs Computing kpt #: 179 total cpu time spent up to now is 105.4 secs Computing kpt #: 180 total cpu time spent up to now is 106.0 secs Computing kpt #: 181 total cpu time spent up to now is 106.5 secs Computing kpt #: 182 total cpu time spent up to now is 107.1 secs Computing kpt #: 183 total cpu time spent up to now is 107.6 secs Computing kpt #: 184 total cpu time spent up to now is 108.1 secs Computing kpt #: 185 total cpu time spent up to now is 108.8 secs Computing kpt #: 186 total cpu time spent up to now is 109.4 secs Computing kpt #: 187 total cpu time spent up to now is 110.0 secs Computing kpt #: 188 total cpu time spent up to now is 110.6 secs Computing kpt #: 189 total cpu time spent up to now is 111.2 secs Computing kpt #: 190 total cpu time spent up to now is 111.8 secs Computing kpt #: 191 total cpu time spent up to now is 112.4 secs Computing kpt #: 192 total cpu time spent up to now is 113.0 secs Computing kpt #: 193 total cpu time spent up to now is 113.7 secs Computing kpt #: 194 total cpu time spent up to now is 114.3 secs Computing kpt #: 195 total cpu time spent up to now is 114.9 secs Computing kpt #: 196 total cpu time spent up to now is 115.5 secs Computing kpt #: 197 total cpu time spent up to now is 116.2 secs Computing kpt #: 198 total cpu time spent up to now is 116.8 secs Computing kpt #: 199 total cpu time spent up to now is 117.4 secs Computing kpt #: 200 total cpu time spent up to now is 118.0 secs Computing kpt #: 201 total cpu time spent up to now is 118.6 secs Computing kpt #: 202 total cpu time spent up to now is 119.2 secs Computing kpt #: 203 total cpu time spent up to now is 119.7 secs Computing kpt #: 204 total cpu time spent up to now is 120.3 secs Computing kpt #: 205 total cpu time spent up to now is 120.8 secs Computing kpt #: 206 total cpu time spent up to now is 121.3 secs Computing kpt #: 207 total cpu time spent up to now is 121.8 secs Computing kpt #: 208 total cpu time spent up to now is 122.4 secs Computing kpt #: 209 total cpu time spent up to now is 122.9 secs Computing kpt #: 210 total cpu time spent up to now is 123.5 secs Computing kpt #: 211 total cpu time spent up to now is 124.1 secs Computing kpt #: 212 total cpu time spent up to now is 124.7 secs Computing kpt #: 213 total cpu time spent up to now is 125.3 secs Computing kpt #: 214 total cpu time spent up to now is 125.9 secs Computing kpt #: 215 total cpu time spent up to now is 126.4 secs Computing kpt #: 216 total cpu time spent up to now is 126.9 secs Computing kpt #: 217 total cpu time spent up to now is 127.4 secs Computing kpt #: 218 total cpu time spent up to now is 128.0 secs Computing kpt #: 219 total cpu time spent up to now is 128.5 secs Computing kpt #: 220 total cpu time spent up to now is 129.1 secs Computing kpt #: 221 total cpu time spent up to now is 129.7 secs Computing kpt #: 222 total cpu time spent up to now is 130.3 secs Computing kpt #: 223 total cpu time spent up to now is 130.9 secs Computing kpt #: 224 total cpu time spent up to now is 131.5 secs Computing kpt #: 225 total cpu time spent up to now is 132.1 secs Computing kpt #: 226 total cpu time spent up to now is 132.7 secs Computing kpt #: 227 total cpu time spent up to now is 133.5 secs Computing kpt #: 228 total cpu time spent up to now is 134.2 secs Computing kpt #: 229 total cpu time spent up to now is 135.0 secs Computing kpt #: 230 total cpu time spent up to now is 135.8 secs Computing kpt #: 231 total cpu time spent up to now is 136.6 secs Computing kpt #: 232 total cpu time spent up to now is 137.3 secs Computing kpt #: 233 total cpu time spent up to now is 137.9 secs Computing kpt #: 234 total cpu time spent up to now is 138.7 secs Computing kpt #: 235 total cpu time spent up to now is 139.3 secs Computing kpt #: 236 total cpu time spent up to now is 140.0 secs Computing kpt #: 237 total cpu time spent up to now is 140.7 secs Computing kpt #: 238 total cpu time spent up to now is 141.3 secs Computing kpt #: 239 total cpu time spent up to now is 142.0 secs Computing kpt #: 240 total cpu time spent up to now is 142.6 secs Computing kpt #: 241 total cpu time spent up to now is 143.2 secs Computing kpt #: 242 total cpu time spent up to now is 144.0 secs Computing kpt #: 243 total cpu time spent up to now is 144.6 secs Computing kpt #: 244 total cpu time spent up to now is 145.4 secs Computing kpt #: 245 total cpu time spent up to now is 146.3 secs Computing kpt #: 246 total cpu time spent up to now is 146.9 secs Computing kpt #: 247 total cpu time spent up to now is 147.5 secs Computing kpt #: 248 total cpu time spent up to now is 148.0 secs Computing kpt #: 249 total cpu time spent up to now is 148.5 secs Computing kpt #: 250 total cpu time spent up to now is 149.0 secs Computing kpt #: 251 total cpu time spent up to now is 149.6 secs Computing kpt #: 252 total cpu time spent up to now is 150.1 secs Computing kpt #: 253 total cpu time spent up to now is 150.6 secs Computing kpt #: 254 total cpu time spent up to now is 151.1 secs Computing kpt #: 255 total cpu time spent up to now is 151.6 secs Computing kpt #: 256 total cpu time spent up to now is 152.2 secs Computing kpt #: 257 total cpu time spent up to now is 152.7 secs Computing kpt #: 258 total cpu time spent up to now is 153.2 secs Computing kpt #: 259 total cpu time spent up to now is 153.8 secs Computing kpt #: 260 total cpu time spent up to now is 154.3 secs Computing kpt #: 261 total cpu time spent up to now is 154.9 secs Computing kpt #: 262 total cpu time spent up to now is 155.4 secs Computing kpt #: 263 total cpu time spent up to now is 156.0 secs Computing kpt #: 264 total cpu time spent up to now is 156.6 secs Computing kpt #: 265 total cpu time spent up to now is 157.1 secs Computing kpt #: 266 total cpu time spent up to now is 157.8 secs Computing kpt #: 267 total cpu time spent up to now is 158.3 secs Computing kpt #: 268 total cpu time spent up to now is 158.9 secs Computing kpt #: 269 total cpu time spent up to now is 159.5 secs Computing kpt #: 270 total cpu time spent up to now is 160.0 secs Computing kpt #: 271 total cpu time spent up to now is 160.6 secs Computing kpt #: 272 total cpu time spent up to now is 161.1 secs Computing kpt #: 273 total cpu time spent up to now is 161.7 secs Computing kpt #: 274 total cpu time spent up to now is 162.2 secs Computing kpt #: 275 total cpu time spent up to now is 162.7 secs Computing kpt #: 276 total cpu time spent up to now is 163.3 secs Computing kpt #: 277 total cpu time spent up to now is 163.9 secs Computing kpt #: 278 total cpu time spent up to now is 164.5 secs Computing kpt #: 279 total cpu time spent up to now is 165.1 secs Computing kpt #: 280 total cpu time spent up to now is 165.7 secs Computing kpt #: 281 total cpu time spent up to now is 166.3 secs Computing kpt #: 282 total cpu time spent up to now is 167.0 secs Computing kpt #: 283 total cpu time spent up to now is 167.6 secs Computing kpt #: 284 total cpu time spent up to now is 168.2 secs Computing kpt #: 285 total cpu time spent up to now is 168.7 secs Computing kpt #: 286 total cpu time spent up to now is 169.3 secs Computing kpt #: 287 total cpu time spent up to now is 169.9 secs Computing kpt #: 288 total cpu time spent up to now is 170.4 secs Computing kpt #: 289 total cpu time spent up to now is 170.9 secs Computing kpt #: 290 total cpu time spent up to now is 171.5 secs Computing kpt #: 291 total cpu time spent up to now is 172.0 secs Computing kpt #: 292 total cpu time spent up to now is 172.5 secs Computing kpt #: 293 total cpu time spent up to now is 173.1 secs Computing kpt #: 294 total cpu time spent up to now is 173.6 secs Computing kpt #: 295 total cpu time spent up to now is 174.1 secs Computing kpt #: 296 total cpu time spent up to now is 174.6 secs Computing kpt #: 297 total cpu time spent up to now is 175.2 secs Computing kpt #: 298 total cpu time spent up to now is 175.7 secs Computing kpt #: 299 total cpu time spent up to now is 176.2 secs Computing kpt #: 300 total cpu time spent up to now is 176.7 secs Computing kpt #: 301 total cpu time spent up to now is 177.3 secs Computing kpt #: 302 total cpu time spent up to now is 177.8 secs Computing kpt #: 303 total cpu time spent up to now is 178.3 secs Computing kpt #: 304 total cpu time spent up to now is 178.8 secs Computing kpt #: 305 total cpu time spent up to now is 179.4 secs Computing kpt #: 306 total cpu time spent up to now is 180.2 secs Computing kpt #: 307 total cpu time spent up to now is 180.8 secs Computing kpt #: 308 total cpu time spent up to now is 181.4 secs Computing kpt #: 309 total cpu time spent up to now is 182.1 secs Computing kpt #: 310 total cpu time spent up to now is 182.8 secs Computing kpt #: 311 total cpu time spent up to now is 183.4 secs Computing kpt #: 312 total cpu time spent up to now is 184.1 secs Computing kpt #: 313 total cpu time spent up to now is 184.7 secs Computing kpt #: 314 total cpu time spent up to now is 185.4 secs Computing kpt #: 315 total cpu time spent up to now is 186.0 secs ethr = 2.27E-08, avg # of iterations = 21.6 total cpu time spent up to now is 186.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5043 PWs) bands (ev): -20.6793 -20.6793 -20.6587 -20.6587 -8.5181 -8.5181 -8.0493 -8.0493 -7.3145 -7.3145 -7.0503 -7.0503 -5.3389 -5.3389 -5.3306 -5.3306 -5.2879 -5.2879 -4.9683 -4.9683 -3.7785 -3.7785 -3.6571 -3.6571 1.0770 1.0770 1.1532 1.1532 2.1645 2.1645 2.9953 2.9953 3.3804 3.3804 3.5677 3.5677 4.8799 4.8799 5.1233 5.1233 5.5309 5.5309 5.7998 5.7998 8.7470 8.7470 9.3909 9.3909 9.6032 9.6032 10.0330 10.0330 k = 0.0128 0.0065-0.0078 ( 5051 PWs) bands (ev): -20.6793 -20.6793 -20.6587 -20.6587 -8.5174 -8.5174 -8.0500 -8.0500 -7.3138 -7.3138 -7.0508 -7.0508 -5.3408 -5.3408 -5.3291 -5.3291 -5.2879 -5.2879 -4.9691 -4.9691 -3.7784 -3.7784 -3.6583 -3.6583 1.0794 1.0794 1.1556 1.1556 2.1660 2.1660 2.9956 2.9956 3.3799 3.3799 3.5663 3.5663 4.8804 4.8804 5.1240 5.1240 5.5301 5.5301 5.7990 5.7990 8.7484 8.7484 9.3939 9.3939 9.5984 9.5984 10.0029 10.0029 k = 0.0256 0.0131-0.0156 ( 5051 PWs) bands (ev): -20.6792 -20.6792 -20.6587 -20.6587 -8.5154 -8.5154 -8.0522 -8.0522 -7.3117 -7.3117 -7.0521 -7.0521 -5.3450 -5.3450 -5.3262 -5.3262 -5.2879 -5.2879 -4.9716 -4.9716 -3.7780 -3.7780 -3.6620 -3.6620 1.0866 1.0866 1.1627 1.1627 2.1707 2.1707 2.9966 2.9966 3.3785 3.3785 3.5622 3.5622 4.8820 4.8820 5.1262 5.1262 5.5276 5.5276 5.7967 5.7967 8.7529 8.7529 9.4028 9.4028 9.5835 9.5835 9.9527 9.9527 k = 0.0385 0.0196-0.0233 ( 5044 PWs) bands (ev): -20.6791 -20.6791 -20.6587 -20.6587 -8.5120 -8.5120 -8.0557 -8.0557 -7.3082 -7.3082 -7.0542 -7.0542 -5.3504 -5.3504 -5.3229 -5.3229 -5.2878 -5.2878 -4.9758 -4.9758 -3.7773 -3.7773 -3.6681 -3.6681 1.0985 1.0985 1.1745 1.1745 2.1785 2.1785 2.9983 2.9983 3.3761 3.3761 3.5555 3.5555 4.8847 4.8847 5.1297 5.1297 5.5233 5.5233 5.7930 5.7930 8.7603 8.7603 9.4177 9.4177 9.5564 9.5564 9.9091 9.9091 k = 0.0513 0.0261-0.0311 ( 5051 PWs) bands (ev): -20.6790 -20.6790 -20.6588 -20.6588 -8.5072 -8.5072 -8.0605 -8.0605 -7.3036 -7.3036 -7.0572 -7.0572 -5.3570 -5.3570 -5.3195 -5.3195 -5.2875 -5.2875 -4.9814 -4.9814 -3.7765 -3.7765 -3.6766 -3.6766 1.1151 1.1151 1.1909 1.1909 2.1893 2.1893 3.0006 3.0006 3.3727 3.3727 3.5462 3.5462 4.8883 4.8883 5.1345 5.1345 5.5173 5.5173 5.7878 5.7878 8.7706 8.7706 9.4383 9.4383 9.5166 9.5166 9.8787 9.8787 k = 0.0641 0.0327-0.0389 ( 5053 PWs) bands (ev): -20.6787 -20.6787 -20.6589 -20.6589 -8.5011 -8.5011 -8.0666 -8.0666 -7.2977 -7.2977 -7.0609 -7.0609 -5.3648 -5.3648 -5.3162 -5.3162 -5.2869 -5.2869 -4.9885 -4.9885 -3.7754 -3.7754 -3.6872 -3.6872 1.1362 1.1362 1.2120 1.2120 2.2032 2.2032 3.0036 3.0036 3.3685 3.3685 3.5345 3.5345 4.8929 4.8929 5.1405 5.1405 5.5095 5.5095 5.7811 5.7811 8.7840 8.7840 9.4600 9.4600 9.4702 9.4702 9.8618 9.8618 k = 0.0769 0.0392-0.0467 ( 5048 PWs) bands (ev): -20.6785 -20.6785 -20.6589 -20.6589 -8.4937 -8.4937 -8.0738 -8.0738 -7.2907 -7.2907 -7.0655 -7.0655 -5.3739 -5.3739 -5.3133 -5.3133 -5.2856 -5.2856 -4.9970 -4.9970 -3.7744 -3.7744 -3.6998 -3.6998 1.1618 1.1618 1.2375 1.2375 2.2201 2.2201 3.0074 3.0074 3.3634 3.3634 3.5206 3.5206 4.8983 4.8983 5.1477 5.1477 5.4998 5.4998 5.7731 5.7731 8.8004 8.8004 9.4062 9.4062 9.4975 9.4975 9.8559 9.8559 k = 0.0897 0.0457-0.0544 ( 5048 PWs) bands (ev): -20.6782 -20.6782 -20.6590 -20.6590 -8.4850 -8.4850 -8.0820 -8.0820 -7.2829 -7.2829 -7.0708 -7.0708 -5.3841 -5.3841 -5.3111 -5.3111 -5.2831 -5.2831 -5.0066 -5.0066 -3.7736 -3.7736 -3.7142 -3.7142 1.1917 1.1917 1.2673 1.2673 2.2400 2.2400 3.0119 3.0119 3.3574 3.3574 3.5048 3.5048 4.9046 4.9046 5.1557 5.1557 5.4880 5.4880 5.7639 5.7639 8.8199 8.8199 9.3438 9.3438 9.5348 9.5348 9.8580 9.8580 k = 0.1026 0.0523-0.0622 ( 5044 PWs) bands (ev): -20.6778 -20.6778 -20.6591 -20.6591 -8.4750 -8.4750 -8.0911 -8.0911 -7.2742 -7.2742 -7.0768 -7.0768 -5.3957 -5.3957 -5.3101 -5.3101 -5.2792 -5.2792 -5.0173 -5.0173 -3.7736 -3.7736 -3.7295 -3.7295 1.2257 1.2257 1.3014 1.3014 2.2627 2.2627 3.0172 3.0172 3.3506 3.3506 3.4873 3.4873 4.9115 4.9115 5.1645 5.1645 5.4742 5.4742 5.7533 5.7533 8.8424 8.8424 9.2801 9.2801 9.5771 9.5771 9.8658 9.8658 k = 0.1154 0.0588-0.0700 ( 5047 PWs) bands (ev): -20.6775 -20.6775 -20.6593 -20.6593 -8.4638 -8.4638 -8.1010 -8.1010 -7.2649 -7.2649 -7.0834 -7.0834 -5.4086 -5.4086 -5.3103 -5.3103 -5.2737 -5.2737 -5.0289 -5.0289 -3.7763 -3.7763 -3.7437 -3.7437 1.2635 1.2635 1.3396 1.3396 2.2883 2.2883 3.0233 3.0233 3.3431 3.3431 3.4683 3.4683 4.9191 4.9191 5.1740 5.1740 5.4583 5.4583 5.7417 5.7417 8.8679 8.8679 9.2168 9.2168 9.6238 9.6238 9.8776 9.8776 k = 0.1282 0.0654-0.0778 ( 5049 PWs) bands (ev): -20.6771 -20.6771 -20.6594 -20.6594 -8.4513 -8.4513 -8.1115 -8.1115 -7.2552 -7.2552 -7.0905 -7.0905 -5.4227 -5.4227 -5.3115 -5.3115 -5.2669 -5.2669 -5.0411 -5.0411 -3.7859 -3.7859 -3.7526 -3.7526 1.3051 1.3051 1.3816 1.3816 2.3166 2.3166 3.0303 3.0303 3.3348 3.3348 3.4481 3.4481 4.9272 4.9272 5.1839 5.1839 5.4402 5.4402 5.7290 5.7290 8.8965 8.8965 9.1551 9.1551 9.6738 9.6738 9.8921 9.8921 k = 0.1410 0.0719-0.0856 ( 5058 PWs) bands (ev): -20.6766 -20.6766 -20.6595 -20.6595 -8.4377 -8.4377 -8.1226 -8.1226 -7.2454 -7.2454 -7.0979 -7.0979 -5.4380 -5.4380 -5.3135 -5.3135 -5.2592 -5.2592 -5.0539 -5.0539 -3.8034 -3.8034 -3.7552 -3.7552 1.3501 1.3501 1.4274 1.4274 2.3475 2.3475 3.0381 3.0381 3.3257 3.3257 3.4272 3.4272 4.9358 4.9358 5.1941 5.1941 5.4200 5.4200 5.7152 5.7152 8.9280 8.9280 9.0955 9.0955 9.7245 9.7245 9.9081 9.9081 k = 0.1538 0.0784-0.0933 ( 5063 PWs) bands (ev): -20.6761 -20.6761 -20.6597 -20.6597 -8.4230 -8.4230 -8.1340 -8.1340 -7.2356 -7.2356 -7.1056 -7.1056 -5.4546 -5.4546 -5.3161 -5.3161 -5.2507 -5.2507 -5.0670 -5.0670 -3.8249 -3.8249 -3.7549 -3.7549 1.3984 1.3984 1.4766 1.4766 2.3810 2.3810 3.0467 3.0467 3.3158 3.3158 3.4057 3.4057 4.9447 4.9447 5.2044 5.2044 5.3976 5.3976 5.7006 5.7006 8.9621 8.9621 9.0386 9.0386 9.7686 9.7686 9.9241 9.9241 k = 0.1667 0.0850-0.1011 ( 5071 PWs) bands (ev): -20.6756 -20.6756 -20.6598 -20.6598 -8.4071 -8.4071 -8.1457 -8.1457 -7.2263 -7.2263 -7.1130 -7.1130 -5.4723 -5.4723 -5.3192 -5.3192 -5.2415 -5.2415 -5.0801 -5.0801 -3.8486 -3.8486 -3.7536 -3.7536 1.4496 1.4496 1.5291 1.5291 2.4169 2.4169 3.0562 3.0562 3.3050 3.3050 3.3841 3.3841 4.9538 4.9538 5.2145 5.2145 5.3733 5.3733 5.6850 5.6850 8.9776 8.9776 9.0051 9.0051 9.7838 9.7838 9.9375 9.9375 k = 0.1795 0.0915-0.1089 ( 5065 PWs) bands (ev): -20.6751 -20.6751 -20.6600 -20.6600 -8.3903 -8.3903 -8.1575 -8.1575 -7.2182 -7.2182 -7.1198 -7.1198 -5.4911 -5.4911 -5.3228 -5.3228 -5.2320 -5.2320 -5.0931 -5.0931 -3.8737 -3.8737 -3.7519 -3.7519 1.5036 1.5036 1.5847 1.5847 2.4551 2.4551 3.0664 3.0664 3.2932 3.2932 3.3630 3.3630 4.9632 4.9632 5.2242 5.2242 5.3474 5.3474 5.6686 5.6686 8.9271 8.9271 9.0420 9.0420 9.7441 9.7441 9.9429 9.9429 k = 0.1923 0.0980-0.1167 ( 5071 PWs) bands (ev): -20.6745 -20.6745 -20.6602 -20.6602 -8.3725 -8.3725 -8.1694 -8.1694 -7.2121 -7.2121 -7.1249 -7.1249 -5.5109 -5.5109 -5.3268 -5.3268 -5.2222 -5.2222 -5.1057 -5.1057 -3.8998 -3.8998 -3.7501 -3.7501 1.5601 1.5601 1.6430 1.6430 2.4955 2.4955 3.0772 3.0772 3.2801 3.2801 3.3429 3.3429 4.9725 4.9725 5.2325 5.2325 5.3209 5.3209 5.6513 5.6513 8.8749 8.8749 9.0839 9.0839 9.6681 9.6681 9.9307 9.9307 k = 0.2051 0.1046-0.1244 ( 5067 PWs) bands (ev): -20.6740 -20.6740 -20.6603 -20.6603 -8.3540 -8.3540 -8.1811 -8.1811 -7.2093 -7.2093 -7.1274 -7.1274 -5.5315 -5.5315 -5.3312 -5.3312 -5.2127 -5.2127 -5.1174 -5.1174 -3.9266 -3.9266 -3.7482 -3.7482 1.6188 1.6188 1.7038 1.7038 2.5379 2.5379 3.0885 3.0885 3.2657 3.2657 3.3243 3.3243 4.9818 4.9818 5.2369 5.2369 5.2963 5.2963 5.6332 5.6332 8.8228 8.8228 9.1270 9.1270 9.5781 9.5781 9.8951 9.8951 k = 0.2179 0.1111-0.1322 ( 5064 PWs) bands (ev): -20.6734 -20.6734 -20.6605 -20.6605 -8.3347 -8.3347 -8.1925 -8.1925 -7.2105 -7.2105 -7.1263 -7.1263 -5.5529 -5.5529 -5.3360 -5.3360 -5.2039 -5.2039 -5.1277 -5.1277 -3.9540 -3.9540 -3.7463 -3.7463 1.6794 1.6794 1.7668 1.7668 2.5821 2.5821 3.1000 3.1000 3.2499 3.2499 3.3077 3.3077 4.9910 4.9910 5.2293 5.2293 5.2820 5.2820 5.6143 5.6143 8.7701 8.7701 9.1680 9.1680 9.4851 9.4851 9.8421 9.8421 k = 0.2308 0.1176-0.1400 ( 5064 PWs) bands (ev): -20.6728 -20.6728 -20.6607 -20.6607 -8.3151 -8.3151 -8.2034 -8.2034 -7.2158 -7.2158 -7.1219 -7.1219 -5.5749 -5.5749 -5.3412 -5.3412 -5.1970 -5.1970 -5.1352 -5.1352 -3.9817 -3.9817 -3.7445 -3.7445 1.7417 1.7417 1.8318 1.8318 2.6280 2.6280 3.1110 3.1110 3.2336 3.2336 3.2930 3.2930 4.9999 4.9999 5.2057 5.2057 5.2823 5.2823 5.5946 5.5946 8.7156 8.7156 9.1949 9.1949 9.4042 9.4042 9.7822 9.7822 k = 0.2436 0.1242-0.1478 ( 5063 PWs) bands (ev): -20.6722 -20.6722 -20.6609 -20.6609 -8.2956 -8.2956 -8.2130 -8.2130 -7.2244 -7.2244 -7.1148 -7.1148 -5.5974 -5.5974 -5.3468 -5.3468 -5.1937 -5.1937 -5.1382 -5.1382 -4.0097 -4.0097 -3.7428 -3.7428 1.8055 1.8055 1.8983 1.8983 2.6754 2.6754 3.1203 3.1203 3.2182 3.2182 3.2800 3.2800 5.0084 5.0084 5.1745 5.1745 5.2889 5.2889 5.5742 5.5742 8.6585 8.6585 9.1715 9.1715 9.3732 9.3732 9.7226 9.7226 k = 0.2564 0.1307-0.1555 ( 5063 PWs) bands (ev): -20.6716 -20.6716 -20.6611 -20.6611 -8.2780 -8.2780 -8.2199 -8.2199 -7.2352 -7.2352 -7.1062 -7.1062 -5.6202 -5.6202 -5.3527 -5.3527 -5.1952 -5.1952 -5.1356 -5.1356 -4.0376 -4.0376 -3.7411 -3.7411 1.8704 1.8704 1.9661 1.9661 2.7239 2.7239 3.1255 3.1255 3.2067 3.2067 3.2684 3.2684 5.0165 5.0165 5.1407 5.1407 5.2974 5.2974 5.5530 5.5530 8.5976 8.5976 9.0903 9.0903 9.4007 9.4007 9.6676 9.6676 k = 0.2692 0.1372-0.1633 ( 5061 PWs) bands (ev): -20.6710 -20.6710 -20.6612 -20.6612 -8.2668 -8.2668 -8.2194 -8.2194 -7.2476 -7.2476 -7.0967 -7.0967 -5.6432 -5.6432 -5.3590 -5.3590 -5.2004 -5.2004 -5.1284 -5.1284 -4.0655 -4.0655 -3.7396 -3.7396 1.9362 1.9362 2.0348 2.0348 2.7734 2.7734 3.1235 3.1235 3.2023 3.2023 3.2580 3.2580 5.0241 5.0241 5.1057 5.1057 5.3064 5.3064 5.5312 5.5312 8.5324 8.5324 8.9879 8.9879 9.4509 9.4509 9.6197 9.6197 k = 0.2821 0.1438-0.1711 ( 5063 PWs) bands (ev): -20.6704 -20.6704 -20.6614 -20.6614 -8.2662 -8.2662 -8.2074 -8.2074 -7.2611 -7.2611 -7.0867 -7.0867 -5.6663 -5.6663 -5.3656 -5.3656 -5.2073 -5.2073 -5.1187 -5.1187 -4.0931 -4.0931 -3.7381 -3.7381 2.0025 2.0025 2.1041 2.1041 2.8235 2.8235 3.1137 3.1137 3.2056 3.2056 3.2489 3.2489 5.0310 5.0310 5.0705 5.0705 5.3156 5.3156 5.5088 5.5088 8.4627 8.4627 8.8794 8.8794 9.5090 9.5090 9.5805 9.5805 k = 0.2949 0.1503-0.1789 ( 5065 PWs) bands (ev): -20.6698 -20.6698 -20.6616 -20.6616 -8.2720 -8.2720 -8.1881 -8.1881 -7.2755 -7.2755 -7.0767 -7.0767 -5.6892 -5.6892 -5.3724 -5.3724 -5.2147 -5.2147 -5.1076 -5.1076 -4.1202 -4.1202 -3.7368 -3.7368 2.0692 2.0692 2.1735 2.1735 2.8739 2.8739 3.0991 3.0991 3.2126 3.2126 3.2420 3.2420 5.0317 5.0317 5.0408 5.0408 5.3247 5.3247 5.4861 5.4861 8.3886 8.3886 8.7693 8.7693 9.5458 9.5458 9.5755 9.5755 k = 0.3077 0.1568-0.1867 ( 5071 PWs) bands (ev): -20.6693 -20.6693 -20.6618 -20.6618 -8.2799 -8.2799 -8.1660 -8.1660 -7.2906 -7.2906 -7.0667 -7.0667 -5.7117 -5.7117 -5.3795 -5.3795 -5.2220 -5.2220 -5.0959 -5.0959 -4.1469 -4.1469 -3.7356 -3.7356 2.1358 2.1358 2.2428 2.2428 2.9240 2.9240 3.0824 3.0824 3.2173 3.2173 3.2404 3.2404 4.9990 4.9990 5.0444 5.0444 5.3336 5.3336 5.4634 5.4634 8.3108 8.3108 8.6596 8.6596 9.5256 9.5256 9.6389 9.6389 k = 0.3205 0.1634-0.1944 ( 5067 PWs) bands (ev): -20.6687 -20.6687 -20.6619 -20.6619 -8.2882 -8.2882 -8.1427 -8.1427 -7.3062 -7.3062 -7.0570 -7.0570 -5.7338 -5.7338 -5.3867 -5.3867 -5.2289 -5.2289 -5.0838 -5.0838 -4.1728 -4.1728 -3.7345 -3.7345 2.2022 2.2022 2.3113 2.3113 2.9735 2.9735 3.0653 3.0653 3.2151 3.2151 3.2473 3.2473 4.9649 4.9649 5.0497 5.0497 5.3419 5.3419 5.4411 5.4411 8.2301 8.2301 8.5516 8.5516 9.5116 9.5116 9.7056 9.7056 k = 0.3333 0.1699-0.2022 ( 5061 PWs) bands (ev): -20.6682 -20.6682 -20.6621 -20.6621 -8.2964 -8.2964 -8.1189 -8.1189 -7.3222 -7.3222 -7.0476 -7.0476 -5.7553 -5.7553 -5.3939 -5.3939 -5.2353 -5.2353 -5.0717 -5.0717 -4.1980 -4.1980 -3.7335 -3.7335 2.2679 2.2679 2.3789 2.3789 3.0213 3.0213 3.0485 3.0485 3.2101 3.2101 3.2580 3.2580 4.9317 4.9317 5.0545 5.0545 5.3485 5.3485 5.4206 5.4206 8.1479 8.1479 8.4461 8.4461 9.5048 9.5048 9.7732 9.7732 k = 0.3462 0.1765-0.2100 ( 5061 PWs) bands (ev): -20.6677 -20.6677 -20.6622 -20.6622 -8.3044 -8.3044 -8.0948 -8.0948 -7.3385 -7.3385 -7.0386 -7.0386 -5.7760 -5.7760 -5.4011 -5.4011 -5.2411 -5.2411 -5.0596 -5.0596 -4.2222 -4.2222 -3.7326 -3.7326 2.3326 2.3326 2.4449 2.4449 3.0318 3.0318 3.0672 3.0672 3.2055 3.2055 3.2695 3.2695 4.8998 4.8998 5.0589 5.0589 5.3507 5.3507 5.4046 5.4046 8.0652 8.0652 8.3440 8.3440 9.5040 9.5040 9.8407 9.8407 k = 0.3590 0.1830-0.2178 ( 5057 PWs) bands (ev): -20.6672 -20.6672 -20.6624 -20.6624 -8.3118 -8.3118 -8.0708 -8.0708 -7.3550 -7.3550 -7.0301 -7.0301 -5.7957 -5.7957 -5.4081 -5.4081 -5.2464 -5.2464 -5.0477 -5.0477 -4.2453 -4.2453 -3.7318 -3.7318 2.3960 2.3960 2.5090 2.5090 3.0164 3.0164 3.1077 3.1077 3.2031 3.2031 3.2808 3.2808 4.8696 4.8696 5.0630 5.0630 5.3437 5.3437 5.3982 5.3982 7.9833 7.9833 8.2460 8.2460 9.5085 9.5085 9.9069 9.9069 k = 0.3718 0.1895-0.2255 ( 5066 PWs) bands (ev): -20.6667 -20.6667 -20.6625 -20.6625 -8.3188 -8.3188 -8.0472 -8.0472 -7.3715 -7.3715 -7.0221 -7.0221 -5.8143 -5.8143 -5.4149 -5.4149 -5.2510 -5.2510 -5.0362 -5.0362 -4.2672 -4.2672 -3.7311 -3.7311 2.4577 2.4577 2.5706 2.5706 3.0021 3.0021 3.1386 3.1386 3.2068 3.2068 3.2923 3.2923 4.8412 4.8412 5.0668 5.0668 5.3283 5.3283 5.4008 5.4008 7.9035 7.9035 8.1529 8.1529 9.5170 9.5170 9.9707 9.9707 k = 0.3846 0.1961-0.2333 ( 5062 PWs) bands (ev): -20.6663 -20.6663 -20.6627 -20.6627 -8.3252 -8.3252 -8.0240 -8.0240 -7.3878 -7.3878 -7.0148 -7.0148 -5.8316 -5.8316 -5.4213 -5.4213 -5.2551 -5.2551 -5.0251 -5.0251 -4.2878 -4.2878 -3.7305 -3.7305 2.5172 2.5172 2.6294 2.6294 2.9889 2.9889 3.1538 3.1538 3.2209 3.2209 3.3050 3.3050 4.8151 4.8151 5.0704 5.0704 5.3097 5.3097 5.4074 5.4074 7.8269 7.8269 8.0655 8.0655 9.5285 9.5285 10.0305 10.0305 k = 0.3974 0.2026-0.2411 ( 5069 PWs) bands (ev): -20.6659 -20.6659 -20.6628 -20.6628 -8.3310 -8.3310 -8.0017 -8.0017 -7.4039 -7.4039 -7.0080 -7.0080 -5.8475 -5.8475 -5.4273 -5.4273 -5.2587 -5.2587 -5.0147 -5.0147 -4.3068 -4.3068 -3.7300 -3.7300 2.5739 2.5739 2.6847 2.6847 2.9770 2.9770 3.1566 3.1566 3.2391 3.2391 3.3209 3.3209 4.7912 4.7912 5.0737 5.0737 5.2907 5.2907 5.4153 5.4153 7.7547 7.7547 7.9844 7.9844 9.5422 9.5422 10.0849 10.0849 k = 0.4103 0.2091-0.2489 ( 5076 PWs) bands (ev): -20.6656 -20.6656 -20.6629 -20.6629 -8.3361 -8.3361 -7.9805 -7.9805 -7.4194 -7.4194 -7.0020 -7.0020 -5.8619 -5.8619 -5.4328 -5.4328 -5.2618 -5.2618 -5.0050 -5.0050 -4.3241 -4.3241 -3.7295 -3.7295 2.6275 2.6275 2.7360 2.7360 2.9665 2.9665 3.1544 3.1544 3.2524 3.2524 3.3411 3.3411 4.7699 4.7699 5.0769 5.0769 5.2726 5.2726 5.4235 5.4235 7.6880 7.6880 7.9104 7.9104 9.5569 9.5569 10.1322 10.1322 k = 0.4231 0.2157-0.2567 ( 5073 PWs) bands (ev): -20.6653 -20.6653 -20.6630 -20.6630 -8.3406 -8.3406 -7.9607 -7.9607 -7.4341 -7.4341 -6.9966 -6.9966 -5.8747 -5.8747 -5.4377 -5.4377 -5.2644 -5.2644 -4.9961 -4.9961 -4.3396 -4.3396 -3.7291 -3.7291 2.6770 2.6770 2.7828 2.7828 2.9575 2.9575 3.1505 3.1505 3.2586 3.2586 3.3639 3.3639 4.7513 4.7513 5.0798 5.0798 5.2559 5.2559 5.4315 5.4315 7.6277 7.6277 7.8443 7.8443 9.5719 9.5719 10.1712 10.1712 k = 0.4359 0.2222-0.2644 ( 5075 PWs) bands (ev): -20.6651 -20.6651 -20.6630 -20.6630 -8.3445 -8.3445 -7.9427 -7.9427 -7.4477 -7.4477 -6.9920 -6.9920 -5.8857 -5.8857 -5.4420 -5.4420 -5.2665 -5.2665 -4.9883 -4.9883 -4.3531 -4.3531 -3.7288 -3.7288 2.7218 2.7218 2.8244 2.8244 2.9501 2.9501 3.1460 3.1460 3.2597 3.2597 3.3864 3.3864 4.7355 4.7355 5.0826 5.0826 5.2412 5.2412 5.4388 5.4388 7.5747 7.5747 7.7868 7.7868 9.5862 9.5862 10.2017 10.2017 k = 0.4487 0.2287-0.2722 ( 5071 PWs) bands (ev): -20.6648 -20.6648 -20.6631 -20.6631 -8.3476 -8.3476 -7.9270 -7.9270 -7.4597 -7.4597 -6.9882 -6.9882 -5.8948 -5.8948 -5.4455 -5.4455 -5.2683 -5.2683 -4.9817 -4.9817 -4.3644 -4.3644 -3.7286 -3.7286 2.7607 2.7607 2.8602 2.8602 2.9445 2.9445 3.1413 3.1413 3.2574 3.2574 3.4065 3.4065 4.7225 4.7225 5.0850 5.0850 5.2288 5.2288 5.4452 5.4452 7.5301 7.5301 7.7387 7.7387 9.5991 9.5991 10.2241 10.2241 k = 0.4615 0.2353-0.2800 ( 5070 PWs) bands (ev): -20.6647 -20.6647 -20.6632 -20.6632 -8.3501 -8.3501 -7.9141 -7.9141 -7.4697 -7.4697 -6.9853 -6.9853 -5.9020 -5.9020 -5.4483 -5.4483 -5.2696 -5.2696 -4.9763 -4.9763 -4.3734 -4.3734 -3.7284 -3.7284 2.7926 2.7926 2.8894 2.8894 2.9406 2.9406 3.1368 3.1368 3.2533 3.2533 3.4229 3.4229 4.7124 4.7124 5.0869 5.0869 5.2189 5.2189 5.4504 5.4504 7.4946 7.4946 7.7005 7.7005 9.6100 9.6100 10.2394 10.2394 k = 0.4744 0.2418-0.2878 ( 5069 PWs) bands (ev): -20.6645 -20.6645 -20.6632 -20.6632 -8.3518 -8.3518 -7.9045 -7.9045 -7.4773 -7.4773 -6.9831 -6.9831 -5.9072 -5.9072 -5.4504 -5.4504 -5.2706 -5.2706 -4.9724 -4.9724 -4.3799 -4.3799 -3.7282 -3.7282 2.8163 2.8163 2.9112 2.9112 2.9384 2.9384 3.1330 3.1330 3.2490 3.2490 3.4349 3.4349 4.7052 4.7052 5.0884 5.0884 5.2116 5.2116 5.4544 5.4544 7.4687 7.4687 7.6728 7.6728 9.6181 9.6181 10.2492 10.2492 k = 0.4872 0.2483-0.2955 ( 5066 PWs) bands (ev): -20.6645 -20.6645 -20.6632 -20.6632 -8.3529 -8.3529 -7.8984 -7.8984 -7.4820 -7.4820 -6.9818 -6.9818 -5.9103 -5.9103 -5.4516 -5.4516 -5.2711 -5.2711 -4.9700 -4.9700 -4.3838 -4.3838 -3.7282 -3.7282 2.8307 2.8307 2.9247 2.9247 2.9377 2.9377 3.1303 3.1303 3.2457 3.2457 3.4423 3.4423 4.7009 4.7009 5.0894 5.0894 5.2073 5.2073 5.4568 5.4568 7.4529 7.4529 7.6559 7.6559 9.6232 9.6232 10.2545 10.2545 k = 0.5000 0.2549-0.3033 ( 5062 PWs) bands (ev): -20.6645 -20.6645 -20.6632 -20.6632 -8.3532 -8.3532 -7.8964 -7.8964 -7.4836 -7.4836 -6.9814 -6.9814 -5.9114 -5.9114 -5.4520 -5.4520 -5.2713 -5.2713 -4.9692 -4.9692 -4.3852 -4.3852 -3.7281 -3.7281 2.8355 2.8355 2.9293 2.9293 2.9376 2.9376 3.1294 3.1294 3.2445 3.2445 3.4447 3.4447 4.6994 4.6994 5.0897 5.0897 5.2058 5.2058 5.4576 5.4576 7.4476 7.4476 7.6503 7.6503 9.6249 9.6249 10.2562 10.2562 k = 0.5000 0.2549-0.3033 ( 5062 PWs) bands (ev): -20.6645 -20.6645 -20.6632 -20.6632 -8.3532 -8.3532 -7.8964 -7.8964 -7.4836 -7.4836 -6.9814 -6.9814 -5.9114 -5.9114 -5.4520 -5.4520 -5.2713 -5.2713 -4.9692 -4.9692 -4.3852 -4.3852 -3.7281 -3.7281 2.8355 2.8355 2.9293 2.9293 2.9376 2.9376 3.1294 3.1294 3.2445 3.2445 3.4447 3.4447 4.6994 4.6994 5.0897 5.0897 5.2058 5.2058 5.4576 5.4576 7.4476 7.4476 7.6503 7.6503 9.6249 9.6249 10.2562 10.2562 k = 0.5063 0.2581-0.2902 ( 5065 PWs) bands (ev): -20.6644 -20.6644 -20.6632 -20.6632 -8.3531 -8.3531 -7.8972 -7.8972 -7.4828 -7.4828 -6.9819 -6.9819 -5.9105 -5.9105 -5.4521 -5.4521 -5.2723 -5.2723 -4.9697 -4.9697 -4.3831 -4.3831 -3.7289 -3.7289 2.8338 2.8338 2.9287 2.9287 2.9378 2.9378 3.1286 3.1286 3.2448 3.2448 3.4446 3.4446 4.7001 4.7001 5.0897 5.0897 5.2068 5.2068 5.4576 5.4576 7.4492 7.4492 7.6517 7.6517 9.6254 9.6254 10.2551 10.2551 k = 0.5127 0.2613-0.2770 ( 5073 PWs) bands (ev): -20.6644 -20.6644 -20.6633 -20.6633 -8.3526 -8.3526 -7.8994 -7.8994 -7.4802 -7.4802 -6.9836 -6.9836 -5.9078 -5.9078 -5.4525 -5.4525 -5.2750 -5.2750 -4.9712 -4.9712 -4.3770 -4.3770 -3.7311 -3.7311 2.8285 2.8285 2.9269 2.9269 2.9382 2.9382 3.1264 3.1264 3.2457 3.2457 3.4442 3.4442 4.7019 4.7019 5.0899 5.0899 5.2098 5.2098 5.4574 5.4574 7.4539 7.4539 7.6559 7.6559 9.6267 9.6267 10.2516 10.2516 k = 0.5127 0.2613-0.2770 ( 5073 PWs) bands (ev): -20.6644 -20.6644 -20.6633 -20.6633 -8.3526 -8.3526 -7.8994 -7.8994 -7.4802 -7.4802 -6.9836 -6.9836 -5.9078 -5.9078 -5.4525 -5.4525 -5.2750 -5.2750 -4.9712 -4.9712 -4.3770 -4.3770 -3.7311 -3.7311 2.8285 2.8285 2.9269 2.9269 2.9382 2.9382 3.1264 3.1264 3.2457 3.2457 3.4442 3.4442 4.7019 4.7019 5.0899 5.0899 5.2098 5.2098 5.4574 5.4574 7.4539 7.4539 7.6559 7.6559 9.6267 9.6267 10.2516 10.2516 k = 0.5120 0.2610-0.2611 ( 5063 PWs) bands (ev): -20.6644 -20.6644 -20.6633 -20.6633 -8.3509 -8.3509 -7.9035 -7.9035 -7.4758 -7.4758 -6.9865 -6.9865 -5.9047 -5.9047 -5.4529 -5.4529 -5.2786 -5.2786 -4.9740 -4.9740 -4.3690 -4.3690 -3.7344 -3.7344 2.8296 2.8296 2.9276 2.9276 2.9381 2.9381 3.1248 3.1248 3.2441 3.2441 3.4398 3.4398 4.7071 4.7071 5.0910 5.0910 5.2151 5.2151 5.4590 5.4590 7.4550 7.4550 7.6549 7.6549 9.6324 9.6324 10.2510 10.2510 k = 0.5113 0.2607-0.2451 ( 5069 PWs) bands (ev): -20.6643 -20.6643 -20.6634 -20.6634 -8.3482 -8.3482 -7.9099 -7.9099 -7.4693 -7.4693 -6.9907 -6.9907 -5.9005 -5.9005 -5.4535 -5.4535 -5.2829 -5.2829 -4.9782 -4.9782 -4.3581 -4.3581 -3.7388 -3.7388 2.8317 2.8317 2.9278 2.9278 2.9378 2.9378 3.1235 3.1235 3.2415 3.2415 3.4322 3.4322 4.7152 4.7152 5.0926 5.0926 5.2230 5.2230 5.4613 5.4613 7.4568 7.4568 7.6536 7.6536 9.6406 9.6406 10.2507 10.2507 k = 0.5107 0.2603-0.2291 ( 5074 PWs) bands (ev): -20.6643 -20.6643 -20.6634 -20.6634 -8.3445 -8.3445 -7.9183 -7.9183 -7.4609 -7.4609 -6.9962 -6.9962 -5.8950 -5.8950 -5.4547 -5.4547 -5.2876 -5.2876 -4.9837 -4.9837 -4.3447 -4.3447 -3.7445 -3.7445 2.8348 2.8348 2.9276 2.9276 2.9372 2.9372 3.1225 3.1225 3.2381 3.2381 3.4215 3.4215 4.7259 4.7259 5.0946 5.0946 5.2334 5.2334 5.4643 5.4643 7.4593 7.4593 7.6520 7.6520 9.6512 9.6512 10.2509 10.2509 k = 0.5100 0.2600-0.2132 ( 5077 PWs) bands (ev): -20.6643 -20.6643 -20.6634 -20.6634 -8.3399 -8.3399 -7.9286 -7.9286 -7.4507 -7.4507 -7.0029 -7.0029 -5.8883 -5.8883 -5.4570 -5.4570 -5.2919 -5.2919 -4.9904 -4.9904 -4.3288 -4.3288 -3.7513 -3.7513 2.8390 2.8390 2.9270 2.9270 2.9364 2.9364 3.1218 3.1218 3.2339 3.2339 3.4080 3.4080 4.7391 4.7391 5.0969 5.0969 5.2460 5.2460 5.4678 5.4678 7.4624 7.4624 7.6501 7.6501 9.6641 9.6641 10.2515 10.2515 k = 0.5093 0.2596-0.1972 ( 5078 PWs) bands (ev): -20.6642 -20.6642 -20.6635 -20.6635 -8.3342 -8.3342 -7.9404 -7.9404 -7.4390 -7.4390 -7.0108 -7.0108 -5.8805 -5.8805 -5.4607 -5.4607 -5.2953 -5.2953 -4.9981 -4.9981 -4.3110 -4.3110 -3.7593 -3.7593 2.8442 2.8442 2.9260 2.9260 2.9354 2.9354 3.1215 3.1215 3.2290 3.2290 3.3920 3.3920 4.7546 4.7546 5.0991 5.0991 5.2604 5.2604 5.4717 5.4717 7.4662 7.4662 7.6479 7.6479 9.6793 9.6793 10.2523 10.2523 k = 0.5087 0.2593-0.1812 ( 5079 PWs) bands (ev): -20.6642 -20.6642 -20.6635 -20.6635 -8.3277 -8.3277 -7.9536 -7.9536 -7.4260 -7.4260 -7.0198 -7.0198 -5.8716 -5.8716 -5.4663 -5.4663 -5.2972 -5.2972 -5.0068 -5.0068 -4.2914 -4.2914 -3.7685 -3.7685 2.8505 2.8505 2.9246 2.9246 2.9342 2.9342 3.1215 3.1215 3.2233 3.2233 3.3740 3.3740 4.7719 4.7719 5.1013 5.1013 5.2765 5.2765 5.4760 5.4760 7.4706 7.4706 7.6452 7.6452 9.6966 9.6966 10.2531 10.2531 k = 0.5080 0.2590-0.1653 ( 5085 PWs) bands (ev): -20.6642 -20.6642 -20.6635 -20.6635 -8.3202 -8.3202 -7.9679 -7.9679 -7.4120 -7.4120 -7.0299 -7.0299 -5.8616 -5.8616 -5.4742 -5.4742 -5.2971 -5.2971 -5.0163 -5.0163 -4.2704 -4.2704 -3.7788 -3.7788 2.8577 2.8577 2.9230 2.9230 2.9331 2.9331 3.1219 3.1219 3.2171 3.2171 3.3544 3.3544 4.7908 4.7908 5.1031 5.1031 5.2939 5.2939 5.4804 5.4804 7.4756 7.4756 7.6422 7.6422 9.7159 9.7159 10.2535 10.2535 k = 0.5073 0.2586-0.1493 ( 5088 PWs) bands (ev): -20.6641 -20.6641 -20.6636 -20.6636 -8.3118 -8.3118 -7.9831 -7.9831 -7.3971 -7.3971 -7.0410 -7.0410 -5.8507 -5.8507 -5.4843 -5.4843 -5.2948 -5.2948 -5.0267 -5.0267 -4.2482 -4.2482 -3.7903 -3.7903 2.8658 2.8658 2.9211 2.9211 2.9319 2.9319 3.1227 3.1227 3.2102 3.2102 3.3335 3.3335 4.8110 4.8110 5.1044 5.1044 5.3122 5.3122 5.4848 5.4848 7.4812 7.4812 7.6386 7.6386 9.7369 9.7369 10.2520 10.2520 k = 0.5067 0.2583-0.1334 ( 5079 PWs) bands (ev): -20.6641 -20.6641 -20.6636 -20.6636 -8.3026 -8.3026 -7.9990 -7.9990 -7.3814 -7.3814 -7.0530 -7.0530 -5.8387 -5.8387 -5.4967 -5.4967 -5.2904 -5.2904 -5.0378 -5.0378 -4.2251 -4.2251 -3.8029 -3.8029 2.8746 2.8746 2.9192 2.9192 2.9310 2.9310 3.1237 3.1237 3.2028 3.2028 3.3119 3.3119 4.8321 4.8321 5.1049 5.1049 5.3311 5.3311 5.4891 5.4891 7.4874 7.4874 7.6346 7.6346 9.7596 9.7596 10.2459 10.2459 k = 0.5060 0.2579-0.1174 ( 5084 PWs) bands (ev): -20.6641 -20.6641 -20.6636 -20.6636 -8.2925 -8.2925 -8.0155 -8.0155 -7.3652 -7.3652 -7.0658 -7.0658 -5.8258 -5.8258 -5.5110 -5.5110 -5.2839 -5.2839 -5.0495 -5.0495 -4.2013 -4.2013 -3.8166 -3.8166 2.8839 2.8839 2.9173 2.9173 2.9307 2.9307 3.1250 3.1250 3.1947 3.1947 3.2901 3.2901 4.8539 4.8539 5.1045 5.1045 5.3501 5.3501 5.4930 5.4930 7.4940 7.4940 7.6301 7.6301 9.7836 9.7836 10.2309 10.2309 k = 0.5053 0.2576-0.1014 ( 5087 PWs) bands (ev): -20.6641 -20.6641 -20.6636 -20.6636 -8.2815 -8.2815 -8.0324 -8.0324 -7.3484 -7.3484 -7.0794 -7.0794 -5.8120 -5.8120 -5.5269 -5.5269 -5.2756 -5.2756 -5.0618 -5.0618 -4.1771 -4.1771 -3.8314 -3.8314 2.8929 2.8929 2.9154 2.9154 2.9317 2.9317 3.1263 3.1263 3.1860 3.1860 3.2687 3.2687 4.8760 4.8760 5.1029 5.1029 5.3691 5.3691 5.4964 5.4964 7.5012 7.5012 7.6251 7.6251 9.8087 9.8087 10.2057 10.2057 k = 0.5047 0.2573-0.0855 ( 5089 PWs) bands (ev): -20.6640 -20.6640 -20.6637 -20.6637 -8.2698 -8.2698 -8.0496 -8.0496 -7.3313 -7.3313 -7.0937 -7.0937 -5.7974 -5.7974 -5.5440 -5.5440 -5.2658 -5.2658 -5.0747 -5.0747 -4.1525 -4.1525 -3.8473 -3.8473 2.9004 2.9004 2.9136 2.9136 2.9354 2.9354 3.1273 3.1273 3.1765 3.1765 3.2484 3.2484 4.8982 4.8982 5.1000 5.1000 5.3875 5.3875 5.4990 5.4990 7.5087 7.5087 7.6195 7.6195 9.8344 9.8344 10.1749 10.1749 k = 0.5040 0.2569-0.0695 ( 5090 PWs) bands (ev): -20.6640 -20.6640 -20.6637 -20.6637 -8.2574 -8.2574 -8.0669 -8.0669 -7.3140 -7.3140 -7.1087 -7.1087 -5.7821 -5.7821 -5.5620 -5.5620 -5.2548 -5.2548 -5.0880 -5.0880 -4.1278 -4.1278 -3.8641 -3.8641 2.9048 2.9048 2.9121 2.9121 2.9431 2.9431 3.1271 3.1271 3.1667 3.1667 3.2301 3.2301 4.9202 4.9202 5.0957 5.0957 5.4051 5.4051 5.5008 5.5008 7.5167 7.5167 7.6134 7.6134 9.8602 9.8602 10.1432 10.1432 k = 0.5033 0.2566-0.0535 ( 5086 PWs) bands (ev): -20.6640 -20.6640 -20.6637 -20.6637 -8.2442 -8.2442 -8.0843 -8.0843 -7.2964 -7.2964 -7.1242 -7.1242 -5.7660 -5.7660 -5.5807 -5.5807 -5.2428 -5.2428 -5.1017 -5.1017 -4.1031 -4.1031 -3.8820 -3.8820 2.9066 2.9066 2.9108 2.9108 2.9548 2.9548 3.1233 3.1233 3.1586 3.1586 3.2143 3.2143 4.9417 4.9417 5.0897 5.0897 5.4218 5.4218 5.5014 5.5014 7.5249 7.5249 7.6069 7.6069 9.8858 9.8858 10.1131 10.1131 k = 0.5027 0.2562-0.0376 ( 5077 PWs) bands (ev): -20.6639 -20.6639 -20.6637 -20.6637 -8.2303 -8.2303 -8.1017 -8.1017 -7.2787 -7.2787 -7.1402 -7.1402 -5.7492 -5.7492 -5.5998 -5.5998 -5.2299 -5.2299 -5.1158 -5.1158 -4.0786 -4.0786 -3.9008 -3.9008 2.9069 2.9069 2.9098 2.9098 2.9692 2.9692 3.1133 3.1133 3.1549 3.1549 3.2013 3.2013 4.9626 4.9626 5.0821 5.0821 5.4371 5.4371 5.5007 5.5007 7.5333 7.5333 7.5998 7.5998 9.9105 9.9105 10.0854 10.0854 k = 0.5020 0.2559-0.0216 ( 5075 PWs) bands (ev): -20.6639 -20.6639 -20.6638 -20.6638 -8.2159 -8.2159 -8.1189 -8.1189 -7.2609 -7.2609 -7.1566 -7.1566 -5.7318 -5.7318 -5.6191 -5.6191 -5.2165 -5.2165 -5.1301 -5.1301 -4.0544 -4.0544 -3.9205 -3.9205 2.9067 2.9067 2.9088 2.9088 2.9854 2.9854 3.0978 3.0978 3.1555 3.1555 3.1906 3.1906 4.9824 4.9824 5.0728 5.0728 5.4510 5.4510 5.4987 5.4987 7.5420 7.5420 7.5924 7.5924 9.9340 9.9340 10.0602 10.0602 k = 0.5013 0.2556-0.0056 ( 5073 PWs) bands (ev): -20.6639 -20.6639 -20.6638 -20.6638 -8.2008 -8.2008 -8.1360 -8.1360 -7.2432 -7.2432 -7.1735 -7.1735 -5.7139 -5.7139 -5.6384 -5.6384 -5.2025 -5.2025 -5.1446 -5.1446 -4.0306 -4.0306 -3.9410 -3.9410 2.9065 2.9065 2.9079 2.9079 3.0029 3.0029 3.0796 3.0796 3.1584 3.1584 3.1818 3.1818 5.0012 5.0012 5.0618 5.0618 5.4632 5.4632 5.4950 5.4950 7.5506 7.5506 7.5845 7.5845 9.9560 9.9560 10.0375 10.0375 k = 0.5007 0.2552 0.0103 ( 5078 PWs) bands (ev): -20.6639 -20.6639 -20.6638 -20.6638 -8.1852 -8.1852 -8.1528 -8.1528 -7.2255 -7.2255 -7.1906 -7.1906 -5.6955 -5.6955 -5.6577 -5.6577 -5.1882 -5.1882 -5.1592 -5.1592 -4.0072 -4.0072 -3.9624 -3.9624 2.9065 2.9065 2.9072 2.9072 3.0215 3.0215 3.0602 3.0602 3.1628 3.1628 3.1744 3.1744 5.0186 5.0186 5.0490 5.0490 5.4738 5.4738 5.4897 5.4897 7.5593 7.5593 7.5763 7.5763 9.9767 9.9767 10.0165 10.0165 k = 0.5000 0.2549 0.0263 ( 5076 PWs) bands (ev): -20.6638 -20.6638 -20.6638 -20.6638 -8.1693 -8.1693 -8.1691 -8.1691 -7.2080 -7.2080 -7.2079 -7.2079 -5.6768 -5.6768 -5.6768 -5.6768 -5.1738 -5.1738 -5.1737 -5.1737 -3.9845 -3.9845 -3.9844 -3.9844 2.9067 2.9067 2.9068 2.9068 3.0406 3.0406 3.0407 3.0407 3.1680 3.1680 3.1682 3.1682 5.0346 5.0346 5.0347 5.0347 5.4826 5.4826 5.4827 5.4827 7.5678 7.5678 7.5680 7.5680 9.9966 9.9966 9.9966 9.9966 k = 0.5000 0.2549 0.0263 ( 5076 PWs) bands (ev): -20.6638 -20.6638 -20.6638 -20.6638 -8.1693 -8.1693 -8.1691 -8.1691 -7.2080 -7.2080 -7.2079 -7.2079 -5.6768 -5.6768 -5.6768 -5.6768 -5.1738 -5.1738 -5.1737 -5.1737 -3.9845 -3.9845 -3.9844 -3.9844 2.9067 2.9067 2.9068 2.9068 3.0406 3.0406 3.0407 3.0407 3.1680 3.1680 3.1682 3.1682 5.0346 5.0346 5.0347 5.0347 5.4826 5.4826 5.4827 5.4827 7.5678 7.5678 7.5680 7.5680 9.9966 9.9966 9.9966 9.9966 k = 0.5074 0.2404 0.0263 ( 5078 PWs) bands (ev): -20.6638 -20.6638 -20.6638 -20.6638 -8.1694 -8.1694 -8.1690 -8.1690 -7.2100 -7.2100 -7.2060 -7.2060 -5.6866 -5.6866 -5.6669 -5.6669 -5.1789 -5.1789 -5.1687 -5.1687 -3.9879 -3.9879 -3.9809 -3.9809 2.9047 2.9047 2.9070 2.9070 3.0371 3.0371 3.0392 3.0392 3.1685 3.1685 3.1712 3.1712 5.0354 5.0354 5.0356 5.0356 5.4818 5.4818 5.4823 5.4823 7.5694 7.5694 7.5696 7.5696 9.9942 9.9942 9.9980 9.9980 k = 0.5148 0.2258 0.0263 ( 5082 PWs) bands (ev): -20.6638 -20.6638 -20.6638 -20.6638 -8.1697 -8.1697 -8.1689 -8.1689 -7.2122 -7.2122 -7.2044 -7.2044 -5.6963 -5.6963 -5.6573 -5.6573 -5.1839 -5.1839 -5.1639 -5.1639 -3.9911 -3.9911 -3.9771 -3.9771 2.9009 2.9009 2.9054 2.9054 3.0293 3.0293 3.0329 3.0329 3.1723 3.1723 3.1773 3.1773 5.0380 5.0380 5.0382 5.0382 5.4799 5.4799 5.4807 5.4807 7.5740 7.5740 7.5744 7.5744 9.9907 9.9907 9.9985 9.9985 k = 0.5222 0.2113 0.0263 ( 5082 PWs) bands (ev): -20.6637 -20.6637 -20.6637 -20.6637 -8.1700 -8.1700 -8.1689 -8.1689 -7.2145 -7.2145 -7.2029 -7.2029 -5.7058 -5.7058 -5.6478 -5.6478 -5.1889 -5.1889 -5.1594 -5.1594 -3.9941 -3.9941 -3.9731 -3.9731 2.8951 2.8951 2.9019 2.9019 3.0183 3.0183 3.0230 3.0230 3.1784 3.1784 3.1853 3.1853 5.0422 5.0422 5.0424 5.0424 5.4769 5.4769 5.4782 5.4782 7.5817 7.5817 7.5823 7.5823 9.9856 9.9856 9.9981 9.9981 k = 0.5296 0.1968 0.0263 ( 5086 PWs) bands (ev): -20.6636 -20.6636 -20.6636 -20.6636 -8.1705 -8.1705 -8.1688 -8.1688 -7.2169 -7.2169 -7.2018 -7.2018 -5.7148 -5.7148 -5.6388 -5.6388 -5.1937 -5.1937 -5.1553 -5.1553 -3.9968 -3.9968 -3.9688 -3.9688 2.8872 2.8872 2.8961 2.8961 3.0054 3.0054 3.0107 3.0107 3.1859 3.1859 3.1942 3.1942 5.0479 5.0479 5.0481 5.0481 5.4729 5.4729 5.4748 5.4748 7.5925 7.5925 7.5932 7.5932 9.9788 9.9788 9.9963 9.9963 k = 0.5370 0.1823 0.0263 ( 5082 PWs) bands (ev): -20.6635 -20.6635 -20.6635 -20.6635 -8.1710 -8.1710 -8.1688 -8.1688 -7.2192 -7.2192 -7.2009 -7.2009 -5.7234 -5.7234 -5.6302 -5.6302 -5.1983 -5.1983 -5.1518 -5.1518 -3.9993 -3.9993 -3.9643 -3.9643 2.8770 2.8770 2.8877 2.8877 2.9919 2.9919 2.9970 2.9970 3.1939 3.1939 3.2033 3.2033 5.0548 5.0548 5.0551 5.0551 5.4682 5.4682 5.4707 5.4707 7.6064 7.6064 7.6071 7.6071 9.9703 9.9703 9.9931 9.9931 k = 0.5444 0.1677 0.0263 ( 5084 PWs) bands (ev): -20.6633 -20.6633 -20.6633 -20.6633 -8.1717 -8.1717 -8.1688 -8.1688 -7.2214 -7.2214 -7.2003 -7.2003 -5.7313 -5.7313 -5.6222 -5.6222 -5.2026 -5.2026 -5.1490 -5.1490 -4.0015 -4.0015 -3.9594 -3.9594 2.8641 2.8641 2.8762 2.8762 2.9786 2.9786 2.9831 2.9831 3.2018 3.2018 3.2120 3.2120 5.0628 5.0628 5.0631 5.0631 5.4630 5.4630 5.4662 5.4662 7.6232 7.6232 7.6240 7.6240 9.9605 9.9605 9.9884 9.9884 k = 0.5518 0.1532 0.0263 ( 5090 PWs) bands (ev): -20.6631 -20.6631 -20.6631 -20.6631 -8.1725 -8.1725 -8.1689 -8.1689 -7.2235 -7.2235 -7.2001 -7.2001 -5.7384 -5.7384 -5.6147 -5.6147 -5.2066 -5.2066 -5.1469 -5.1469 -4.0034 -4.0034 -3.9543 -3.9543 2.8483 2.8483 2.8613 2.8613 2.9664 2.9664 2.9695 2.9695 3.2092 3.2092 3.2202 3.2202 5.0716 5.0716 5.0719 5.0719 5.4575 5.4575 5.4615 5.4615 7.6429 7.6429 7.6438 7.6438 9.9504 9.9504 9.9827 9.9827 k = 0.5592 0.1387 0.0263 ( 5090 PWs) bands (ev): -20.6629 -20.6629 -20.6629 -20.6629 -8.1736 -8.1736 -8.1690 -8.1690 -7.2254 -7.2254 -7.2001 -7.2001 -5.7447 -5.7447 -5.6079 -5.6079 -5.2103 -5.2103 -5.1456 -5.1456 -4.0050 -4.0050 -3.9488 -3.9488 2.8295 2.8295 2.8428 2.8428 2.9556 2.9556 2.9567 2.9567 3.2158 3.2158 3.2275 3.2275 5.0808 5.0808 5.0812 5.0812 5.4520 5.4520 5.4571 5.4571 7.6655 7.6655 7.6663 7.6663 9.9411 9.9411 9.9770 9.9770 k = 0.5666 0.1242 0.0263 ( 5094 PWs) bands (ev): -20.6626 -20.6626 -20.6626 -20.6626 -8.1748 -8.1748 -8.1692 -8.1692 -7.2270 -7.2270 -7.2004 -7.2004 -5.7500 -5.7500 -5.6017 -5.6017 -5.2139 -5.2139 -5.1453 -5.1453 -4.0061 -4.0061 -3.9429 -3.9429 2.8078 2.8078 2.8209 2.8209 2.9450 2.9450 2.9465 2.9465 3.2214 3.2214 3.2337 3.2337 5.0902 5.0902 5.0908 5.0908 5.4468 5.4468 5.4530 5.4530 7.6909 7.6909 7.6916 7.6916 9.9336 9.9336 9.9722 9.9722 k = 0.5740 0.1096 0.0263 ( 5086 PWs) bands (ev): -20.6624 -20.6624 -20.6624 -20.6624 -8.1762 -8.1762 -8.1695 -8.1695 -7.2284 -7.2284 -7.2011 -7.2011 -5.7543 -5.7543 -5.5961 -5.5961 -5.2173 -5.2173 -5.1460 -5.1460 -4.0067 -4.0067 -3.9367 -3.9367 2.7832 2.7832 2.7960 2.7960 2.9344 2.9344 2.9388 2.9388 3.2260 3.2260 3.2387 3.2387 5.0996 5.0996 5.1003 5.1003 5.4422 5.4422 5.4497 5.4497 7.7190 7.7190 7.7197 7.7197 9.9288 9.9288 9.9694 9.9694 k = 0.5814 0.0951 0.0263 ( 5090 PWs) bands (ev): -20.6621 -20.6621 -20.6621 -20.6621 -8.1779 -8.1779 -8.1699 -8.1699 -7.2294 -7.2294 -7.2019 -7.2019 -5.7575 -5.7575 -5.5911 -5.5911 -5.2206 -5.2206 -5.1477 -5.1477 -4.0068 -4.0068 -3.9300 -3.9300 2.7562 2.7562 2.7684 2.7684 2.9248 2.9248 2.9323 2.9323 3.2293 3.2293 3.2424 3.2424 5.1085 5.1085 5.1094 5.1094 5.4384 5.4384 5.4473 5.4473 7.7498 7.7498 7.7503 7.7503 9.9276 9.9276 9.9695 9.9695 k = 0.5888 0.0806 0.0263 ( 5090 PWs) bands (ev): -20.6618 -20.6618 -20.6618 -20.6618 -8.1799 -8.1799 -8.1703 -8.1703 -7.2300 -7.2300 -7.2031 -7.2031 -5.7595 -5.7595 -5.5866 -5.5866 -5.2239 -5.2239 -5.1505 -5.1505 -4.0064 -4.0064 -3.9230 -3.9230 2.7269 2.7269 2.7387 2.7387 2.9162 2.9162 2.9269 2.9269 3.2314 3.2314 3.2446 3.2446 5.1169 5.1169 5.1181 5.1181 5.4354 5.4354 5.4459 5.4459 7.7832 7.7832 7.7836 7.7836 9.9303 9.9303 9.9731 9.9731 k = 0.5962 0.0661 0.0263 ( 5084 PWs) bands (ev): -20.6615 -20.6615 -20.6615 -20.6615 -8.1821 -8.1821 -8.1709 -8.1709 -7.2302 -7.2302 -7.2044 -7.2044 -5.7603 -5.7603 -5.5824 -5.5824 -5.2273 -5.2273 -5.1543 -5.1543 -4.0053 -4.0053 -3.9156 -3.9156 2.6956 2.6956 2.7069 2.7069 2.9084 2.9084 2.9225 2.9225 3.2321 3.2321 3.2454 3.2454 5.1247 5.1247 5.1261 5.1261 5.4336 5.4336 5.4457 5.4457 7.8193 7.8193 7.8195 7.8195 9.9373 9.9373 9.9809 9.9809 k = 0.6037 0.0515 0.0263 ( 5088 PWs) bands (ev): -20.6612 -20.6612 -20.6612 -20.6612 -8.1846 -8.1846 -8.1716 -8.1716 -7.2299 -7.2299 -7.2059 -7.2059 -5.7599 -5.7599 -5.5786 -5.5786 -5.2310 -5.2310 -5.1591 -5.1591 -4.0036 -4.0036 -3.9078 -3.9078 2.6626 2.6626 2.6734 2.6734 2.9013 2.9013 2.9189 2.9189 3.2316 3.2316 3.2446 3.2446 5.1318 5.1318 5.1335 5.1335 5.4327 5.4327 5.4465 5.4465 7.8578 7.8578 7.8579 7.8579 9.9491 9.9491 9.9932 9.9932 k = 0.6111 0.0370 0.0263 ( 5092 PWs) bands (ev): -20.6609 -20.6609 -20.6609 -20.6609 -8.1875 -8.1875 -8.1725 -8.1725 -7.2291 -7.2291 -7.2076 -7.2076 -5.7582 -5.7582 -5.5750 -5.5750 -5.2349 -5.2349 -5.1650 -5.1650 -4.0012 -4.0012 -3.8997 -3.8997 2.6280 2.6280 2.6384 2.6384 2.8949 2.8949 2.9161 2.9161 3.2297 3.2297 3.2423 3.2423 5.1383 5.1383 5.1403 5.1403 5.4328 5.4328 5.4484 5.4484 7.8987 7.8987 7.8990 7.8990 9.9655 9.9655 10.0100 10.0100 k = 0.6185 0.0225 0.0263 ( 5090 PWs) bands (ev): -20.6606 -20.6606 -20.6606 -20.6606 -8.1906 -8.1906 -8.1735 -8.1735 -7.2279 -7.2279 -7.2094 -7.2094 -5.7553 -5.7553 -5.5715 -5.5715 -5.2393 -5.2393 -5.1718 -5.1718 -3.9981 -3.9981 -3.8913 -3.8913 2.5920 2.5920 2.6020 2.6020 2.8891 2.8891 2.9140 2.9140 3.2266 3.2266 3.2384 3.2384 5.1442 5.1442 5.1466 5.1466 5.4337 5.4337 5.4511 5.4511 7.9420 7.9420 7.9425 7.9425 9.9868 9.9868 10.0316 10.0316 k = 0.6259 0.0080 0.0263 ( 5096 PWs) bands (ev): -20.6602 -20.6602 -20.6602 -20.6602 -8.1940 -8.1940 -8.1747 -8.1747 -7.2261 -7.2261 -7.2113 -7.2113 -5.7510 -5.7510 -5.5681 -5.5681 -5.2440 -5.2440 -5.1796 -5.1796 -3.9943 -3.9943 -3.8826 -3.8826 2.5548 2.5548 2.5644 2.5644 2.8839 2.8839 2.9127 2.9127 3.2223 3.2223 3.2331 3.2331 5.1498 5.1498 5.1525 5.1525 5.4353 5.4353 5.4544 5.4544 7.9878 7.9878 7.9884 7.9884 10.0128 10.0128 10.0579 10.0579 k = 0.6333-0.0066 0.0263 ( 5090 PWs) bands (ev): -20.6599 -20.6599 -20.6599 -20.6599 -8.1976 -8.1976 -8.1760 -8.1760 -7.2239 -7.2239 -7.2133 -7.2133 -5.7455 -5.7455 -5.5646 -5.5646 -5.2493 -5.2493 -5.1882 -5.1882 -3.9898 -3.9898 -3.8737 -3.8737 2.5166 2.5166 2.5258 2.5258 2.8791 2.8791 2.9120 2.9120 3.2170 3.2170 3.2264 3.2264 5.1551 5.1551 5.1582 5.1582 5.4374 5.4374 5.4581 5.4581 8.0358 8.0358 8.0365 8.0365 10.0433 10.0433 10.0887 10.0887 k = 0.6407-0.0211 0.0263 ( 5086 PWs) bands (ev): -20.6596 -20.6596 -20.6596 -20.6596 -8.2016 -8.2016 -8.1775 -8.1775 -7.2211 -7.2211 -7.2153 -7.2153 -5.7387 -5.7387 -5.5609 -5.5609 -5.2550 -5.2550 -5.1975 -5.1975 -3.9846 -3.9846 -3.8647 -3.8647 2.4774 2.4774 2.4862 2.4862 2.8746 2.8746 2.9118 2.9118 3.2108 3.2108 3.2184 3.2184 5.1603 5.1603 5.1637 5.1637 5.4398 5.4398 5.4621 5.4621 8.0861 8.0861 8.0869 8.0869 10.0780 10.0780 10.1236 10.1236 k = 0.6481-0.0356 0.0263 ( 5082 PWs) bands (ev): -20.6593 -20.6593 -20.6593 -20.6593 -8.2058 -8.2058 -8.1791 -8.1791 -7.2179 -7.2179 -7.2173 -7.2173 -5.7307 -5.7307 -5.5570 -5.5570 -5.2612 -5.2612 -5.2075 -5.2075 -3.9787 -3.9787 -3.8556 -3.8556 2.4374 2.4374 2.4458 2.4458 2.8703 2.8703 2.9120 2.9120 3.2040 3.2040 3.2095 3.2095 5.1656 5.1656 5.1693 5.1693 5.4424 5.4424 5.4661 5.4661 8.1386 8.1386 8.1394 8.1394 10.1164 10.1164 10.1621 10.1621 k = 0.6555-0.0501 0.0263 ( 5076 PWs) bands (ev): -20.6590 -20.6590 -20.6590 -20.6590 -8.2102 -8.2102 -8.1809 -8.1809 -7.2193 -7.2193 -7.2143 -7.2143 -5.7214 -5.7214 -5.5528 -5.5528 -5.2680 -5.2680 -5.2180 -5.2180 -3.9723 -3.9723 -3.8464 -3.8464 2.3968 2.3968 2.4048 2.4048 2.8661 2.8661 2.9122 2.9122 3.1967 3.1967 3.1999 3.1999 5.1709 5.1709 5.1748 5.1748 5.4452 5.4452 5.4701 5.4701 8.1930 8.1930 8.1938 8.1938 10.1579 10.1579 10.2035 10.2035 k = 0.6629-0.0646 0.0263 ( 5070 PWs) bands (ev): -20.6588 -20.6588 -20.6588 -20.6588 -8.2148 -8.2148 -8.1829 -8.1829 -7.2213 -7.2213 -7.2103 -7.2103 -5.7109 -5.7109 -5.5482 -5.5482 -5.2751 -5.2751 -5.2290 -5.2290 -3.9653 -3.9653 -3.8373 -3.8373 2.3556 2.3556 2.3632 2.3632 2.8616 2.8616 2.9123 2.9123 3.1894 3.1894 3.1901 3.1901 5.1763 5.1763 5.1803 5.1803 5.4481 5.4481 5.4741 5.4741 8.2493 8.2493 8.2500 8.2500 10.2014 10.2014 10.2465 10.2465 k = 0.6703-0.0792 0.0263 ( 5080 PWs) bands (ev): -20.6585 -20.6585 -20.6585 -20.6585 -8.2195 -8.2195 -8.1850 -8.1850 -7.2233 -7.2233 -7.2060 -7.2060 -5.6993 -5.6993 -5.5432 -5.5432 -5.2827 -5.2827 -5.2403 -5.2403 -3.9578 -3.9578 -3.8283 -3.8283 2.3140 2.3140 2.3212 2.3212 2.8567 2.8567 2.9118 2.9118 3.1803 3.1803 3.1823 3.1823 5.1817 5.1817 5.1857 5.1857 5.4511 5.4511 5.4778 5.4778 8.3072 8.3072 8.3079 8.3079 10.2455 10.2455 10.2896 10.2896 k = 0.6777-0.0937 0.0263 ( 5086 PWs) bands (ev): -20.6583 -20.6583 -20.6583 -20.6583 -8.2244 -8.2244 -8.1872 -8.1872 -7.2252 -7.2252 -7.2014 -7.2014 -5.6865 -5.6865 -5.5378 -5.5378 -5.2905 -5.2905 -5.2519 -5.2519 -3.9498 -3.9498 -3.8194 -3.8194 2.2721 2.2721 2.2790 2.2790 2.8512 2.8512 2.9104 2.9104 3.1714 3.1714 3.1758 3.1758 5.1871 5.1871 5.1909 5.1909 5.4543 5.4543 5.4816 5.4816 8.3667 8.3667 8.3672 8.3672 10.2883 10.2883 10.3305 10.3305 k = 0.6851-0.1082 0.0263 ( 5094 PWs) bands (ev): -20.6581 -20.6581 -20.6581 -20.6581 -8.2294 -8.2294 -8.1896 -8.1896 -7.2271 -7.2271 -7.1965 -7.1965 -5.6727 -5.6727 -5.5318 -5.5318 -5.2986 -5.2986 -5.2636 -5.2636 -3.9414 -3.9414 -3.8108 -3.8108 2.2301 2.2301 2.2366 2.2366 2.8448 2.8448 2.9074 2.9074 3.1638 3.1638 3.1703 3.1703 5.1924 5.1924 5.1958 5.1958 5.4578 5.4578 5.4852 5.4852 8.4275 8.4275 8.4278 8.4278 10.3271 10.3271 10.3662 10.3662 k = 0.6925-0.1227 0.0263 ( 5082 PWs) bands (ev): -20.6579 -20.6579 -20.6579 -20.6579 -8.2345 -8.2345 -8.1921 -8.1921 -7.2290 -7.2290 -7.1915 -7.1915 -5.6578 -5.6578 -5.5254 -5.5254 -5.3069 -5.3069 -5.2752 -5.2752 -3.9328 -3.9328 -3.8024 -3.8024 2.1879 2.1879 2.1942 2.1942 2.8373 2.8373 2.9025 2.9025 3.1582 3.1582 3.1661 3.1661 5.1974 5.1974 5.2001 5.2001 5.4617 5.4617 5.4889 5.4889 8.4894 8.4894 8.4896 8.4896 10.3587 10.3587 10.3936 10.3936 k = 0.6999-0.1373 0.0263 ( 5084 PWs) bands (ev): -20.6578 -20.6578 -20.6578 -20.6578 -8.2396 -8.2396 -8.1946 -8.1946 -7.2308 -7.2308 -7.1863 -7.1863 -5.6419 -5.6419 -5.5184 -5.5184 -5.3151 -5.3151 -5.2868 -5.2868 -3.9239 -3.9239 -3.7944 -3.7944 2.1458 2.1458 2.1518 2.1518 2.8286 2.8286 2.8952 2.8952 3.1550 3.1550 3.1635 3.1635 5.2021 5.2021 5.2037 5.2037 5.4662 5.4662 5.4928 5.4928 8.5521 8.5521 8.5523 8.5523 10.3804 10.3804 10.4101 10.4101 k = 0.7073-0.1518 0.0263 ( 5082 PWs) bands (ev): -20.6577 -20.6577 -20.6577 -20.6577 -8.2447 -8.2447 -8.1972 -8.1972 -7.2325 -7.2325 -7.1811 -7.1811 -5.6252 -5.6252 -5.5109 -5.5109 -5.3234 -5.3234 -5.2982 -5.2982 -3.9148 -3.9148 -3.7867 -3.7867 2.1037 2.1037 2.1095 2.1095 2.8186 2.8186 2.8855 2.8855 3.1546 3.1546 3.1625 3.1625 5.2061 5.2061 5.2064 5.2064 5.4713 5.4713 5.4969 5.4969 8.6154 8.6154 8.6158 8.6158 10.3901 10.3901 10.4147 10.4147 k = 0.2927-0.5742 0.3296 ( 5082 PWs) bands (ev): -20.6577 -20.6577 -20.6577 -20.6577 -8.2447 -8.2447 -8.1972 -8.1972 -7.2325 -7.2325 -7.1811 -7.1811 -5.6252 -5.6252 -5.5109 -5.5109 -5.3234 -5.3234 -5.2982 -5.2982 -3.9148 -3.9148 -3.7867 -3.7867 2.1037 2.1037 2.1095 2.1095 2.8186 2.8186 2.8855 2.8855 3.1546 3.1546 3.1625 3.1625 5.2061 5.2061 5.2064 5.2064 5.4713 5.4713 5.4969 5.4969 8.6154 8.6154 8.6158 8.6158 10.3901 10.3901 10.4147 10.4147 k = 0.2852-0.5595 0.3296 ( 5086 PWs) bands (ev): -20.6576 -20.6576 -20.6576 -20.6576 -8.2498 -8.2498 -8.2000 -8.2000 -7.2342 -7.2342 -7.1759 -7.1759 -5.6073 -5.6073 -5.5027 -5.5027 -5.3315 -5.3315 -5.3094 -5.3094 -3.9056 -3.9056 -3.7794 -3.7794 2.0613 2.0613 2.0670 2.0670 2.8072 2.8072 2.8732 2.8732 3.1570 3.1570 3.1635 3.1635 5.2082 5.2082 5.2096 5.2096 5.4771 5.4771 5.5013 5.5013 8.6800 8.6800 8.6807 8.6807 10.3878 10.3878 10.4079 10.4079 k = 0.2777-0.5447 0.3296 ( 5084 PWs) bands (ev): -20.6576 -20.6576 -20.6576 -20.6576 -8.2548 -8.2548 -8.2027 -8.2027 -7.2359 -7.2359 -7.1707 -7.1707 -5.5887 -5.5887 -5.4941 -5.4941 -5.3393 -5.3393 -5.3202 -5.3202 -3.8963 -3.8963 -3.7726 -3.7726 2.0192 2.0192 2.0248 2.0248 2.7946 2.7946 2.8586 2.8586 3.1622 3.1622 3.1663 3.1663 5.2089 5.2089 5.2123 5.2123 5.4836 5.4836 5.5060 5.5060 8.7449 8.7449 8.7458 8.7458 10.3743 10.3743 10.3907 10.3907 k = 0.2702-0.5300 0.3296 ( 5084 PWs) bands (ev): -20.6576 -20.6576 -20.6576 -20.6576 -8.2598 -8.2598 -8.2055 -8.2055 -7.2375 -7.2375 -7.1656 -7.1656 -5.5694 -5.5694 -5.4851 -5.4851 -5.3467 -5.3467 -5.3305 -5.3305 -3.8870 -3.8870 -3.7662 -3.7662 1.9775 1.9775 1.9830 1.9830 2.7810 2.7810 2.8421 2.8421 3.1697 3.1697 3.1709 3.1709 5.2085 5.2085 5.2141 5.2141 5.4908 5.4908 5.5111 5.5111 8.8097 8.8097 8.8108 8.8108 10.3513 10.3513 10.3649 10.3649 k = 0.2627-0.5153 0.3296 ( 5086 PWs) bands (ev): -20.6576 -20.6576 -20.6576 -20.6576 -8.2647 -8.2647 -8.2084 -8.2084 -7.2390 -7.2390 -7.1607 -7.1607 -5.5494 -5.5494 -5.4757 -5.4757 -5.3534 -5.3534 -5.3402 -5.3402 -3.8778 -3.8778 -3.7604 -3.7604 1.9362 1.9362 1.9417 1.9417 2.7667 2.7667 2.8243 2.8243 3.1771 3.1771 3.1794 3.1794 5.2071 5.2071 5.2150 5.2150 5.4985 5.4985 5.5165 5.5165 8.8742 8.8742 8.8755 8.8755 10.3206 10.3206 10.3321 10.3321 k = 0.2552-0.5006 0.3296 ( 5084 PWs) bands (ev): -20.6577 -20.6577 -20.6577 -20.6577 -8.2694 -8.2694 -8.2112 -8.2112 -7.2405 -7.2405 -7.1560 -7.1560 -5.5290 -5.5290 -5.4663 -5.4663 -5.3591 -5.3591 -5.3492 -5.3492 -3.8688 -3.8688 -3.7552 -3.7552 1.8953 1.8953 1.9010 1.9010 2.7520 2.7520 2.8056 2.8056 3.1848 3.1848 3.1906 3.1906 5.2047 5.2047 5.2151 5.2151 5.5065 5.5065 5.5221 5.5221 8.9381 8.9381 8.9396 8.9396 10.2838 10.2838 10.2935 10.2935 k = 0.2477-0.4859 0.3296 ( 5096 PWs) bands (ev): -20.6578 -20.6578 -20.6578 -20.6578 -8.2739 -8.2739 -8.2141 -8.2141 -7.2419 -7.2419 -7.1515 -7.1515 -5.5083 -5.5083 -5.4572 -5.4572 -5.3636 -5.3636 -5.3573 -5.3573 -3.8599 -3.8599 -3.7505 -3.7505 1.8550 1.8550 1.8609 1.8609 2.7370 2.7370 2.7864 2.7864 3.1936 3.1936 3.2032 3.2032 5.2015 5.2015 5.2143 5.2143 5.5147 5.5147 5.5278 5.5278 9.0010 9.0010 9.0026 9.0026 10.2423 10.2423 10.2506 10.2506 k = 0.2402-0.4711 0.3296 ( 5096 PWs) bands (ev): -20.6580 -20.6580 -20.6580 -20.6580 -8.2783 -8.2783 -8.2170 -8.2170 -7.2431 -7.2431 -7.1472 -7.1472 -5.4874 -5.4874 -5.4486 -5.4486 -5.3664 -5.3664 -5.3645 -5.3645 -3.8513 -3.8513 -3.7463 -3.7463 1.8154 1.8154 1.8215 1.8215 2.7221 2.7221 2.7671 2.7671 3.2034 3.2034 3.2167 3.2167 5.1976 5.1976 5.2127 5.2127 5.5229 5.5229 5.5336 5.5336 9.0625 9.0625 9.0641 9.0641 10.1973 10.1973 10.2043 10.2043 k = 0.2327-0.4564 0.3296 ( 5096 PWs) bands (ev): -20.6582 -20.6582 -20.6582 -20.6582 -8.2825 -8.2825 -8.2199 -8.2199 -7.2442 -7.2442 -7.1433 -7.1433 -5.4667 -5.4667 -5.4414 -5.4414 -5.3705 -5.3705 -5.3668 -5.3668 -3.8430 -3.8430 -3.7428 -3.7428 1.7763 1.7763 1.7827 1.7827 2.7076 2.7076 2.7481 2.7481 3.2140 3.2140 3.2309 3.2309 5.1931 5.1931 5.2105 5.2105 5.5308 5.5308 5.5392 5.5392 9.1221 9.1221 9.1236 9.1236 10.1503 10.1503 10.1561 10.1561 k = 0.2252-0.4417 0.3296 ( 5094 PWs) bands (ev): -20.6584 -20.6584 -20.6584 -20.6584 -8.2866 -8.2866 -8.2228 -8.2228 -7.2451 -7.2451 -7.1397 -7.1397 -5.4469 -5.4469 -5.4359 -5.4359 -5.3746 -5.3746 -5.3643 -5.3643 -3.8350 -3.8350 -3.7397 -3.7397 1.7380 1.7380 1.7448 1.7448 2.6936 2.6936 2.7296 2.7296 3.2250 3.2250 3.2454 3.2454 5.1883 5.1883 5.2076 5.2076 5.5384 5.5384 5.5446 5.5446 9.1791 9.1791 9.1803 9.1803 10.1026 10.1026 10.1070 10.1070 k = 0.2176-0.4270 0.3296 ( 5094 PWs) bands (ev): -20.6587 -20.6587 -20.6587 -20.6587 -8.2904 -8.2904 -8.2258 -8.2258 -7.2459 -7.2459 -7.1363 -7.1363 -5.4326 -5.4326 -5.4294 -5.4294 -5.3756 -5.3756 -5.3588 -5.3588 -3.8273 -3.8273 -3.7372 -3.7372 1.7004 1.7004 1.7076 1.7076 2.6804 2.6804 2.7119 2.7119 3.2363 3.2363 3.2600 3.2600 5.1831 5.1831 5.2043 5.2043 5.5454 5.5454 5.5495 5.5495 9.2326 9.2326 9.2332 9.2332 10.0558 10.0558 10.0586 10.0586 k = 0.2101-0.4122 0.3296 ( 5086 PWs) bands (ev): -20.6590 -20.6590 -20.6590 -20.6590 -8.2940 -8.2940 -8.2288 -8.2288 -7.2464 -7.2464 -7.1333 -7.1333 -5.4310 -5.4310 -5.4170 -5.4170 -5.3706 -5.3706 -5.3505 -5.3505 -3.8200 -3.8200 -3.7352 -3.7352 1.6636 1.6636 1.6712 1.6712 2.6682 2.6682 2.6952 2.6952 3.2476 3.2476 3.2744 3.2744 5.1779 5.1779 5.2006 5.2006 5.5516 5.5516 5.5540 5.5540 9.2810 9.2810 9.2813 9.2813 10.0118 10.0118 10.0129 10.0129 k = 0.2026-0.3975 0.3296 ( 5102 PWs) bands (ev): -20.6593 -20.6593 -20.6593 -20.6593 -8.2975 -8.2975 -8.2318 -8.2318 -7.2467 -7.2467 -7.1305 -7.1305 -5.4305 -5.4305 -5.4115 -5.4115 -5.3582 -5.3582 -5.3401 -5.3401 -3.8130 -3.8130 -3.7337 -3.7337 1.6275 1.6275 1.6357 1.6357 2.6571 2.6571 2.6796 2.6796 3.2587 3.2587 3.2884 3.2884 5.1726 5.1726 5.1967 5.1967 5.5570 5.5570 5.5578 5.5578 9.3219 9.3219 9.3233 9.3233 9.9720 9.9720 9.9731 9.9731 k = 0.1951-0.3828 0.3296 ( 5094 PWs) bands (ev): -20.6597 -20.6597 -20.6596 -20.6596 -8.3007 -8.3007 -8.2348 -8.2348 -7.2467 -7.2467 -7.1281 -7.1281 -5.4307 -5.4307 -5.4103 -5.4103 -5.3408 -5.3408 -5.3283 -5.3283 -3.8063 -3.8063 -3.7325 -3.7325 1.5924 1.5924 1.6010 1.6010 2.6474 2.6474 2.6655 2.6655 3.2693 3.2693 3.3018 3.3018 5.1674 5.1674 5.1926 5.1926 5.5609 5.5609 5.5615 5.5615 9.3535 9.3535 9.3564 9.3564 9.9387 9.9387 9.9424 9.9424 k = 0.1876-0.3681 0.3296 ( 5092 PWs) bands (ev): -20.6600 -20.6600 -20.6600 -20.6600 -8.3037 -8.3037 -8.2379 -8.2379 -7.2464 -7.2464 -7.1259 -7.1259 -5.4309 -5.4309 -5.4105 -5.4105 -5.3217 -5.3217 -5.3155 -5.3155 -3.8000 -3.8000 -3.7317 -3.7317 1.5581 1.5581 1.5672 1.5672 2.6390 2.6390 2.6529 2.6529 3.2794 3.2794 3.3143 3.3143 5.1625 5.1625 5.1885 5.1885 5.5632 5.5632 5.5650 5.5650 9.3734 9.3734 9.3781 9.3781 9.9161 9.9161 9.9227 9.9227 k = 0.1801-0.3533 0.3296 ( 5092 PWs) bands (ev): -20.6605 -20.6605 -20.6605 -20.6605 -8.3066 -8.3066 -8.2411 -8.2411 -7.2458 -7.2458 -7.1240 -7.1240 -5.4310 -5.4310 -5.4109 -5.4109 -5.3023 -5.3023 -5.3020 -5.3020 -3.7941 -3.7941 -3.7313 -3.7313 1.5247 1.5247 1.5343 1.5343 2.6321 2.6321 2.6419 2.6419 3.2886 3.2886 3.3257 3.3257 5.1580 5.1580 5.1845 5.1845 5.5647 5.5647 5.5673 5.5673 9.3798 9.3798 9.3863 9.3863 9.9064 9.9064 9.9158 9.9158 k = 0.1726-0.3386 0.3296 ( 5092 PWs) bands (ev): -20.6609 -20.6609 -20.6609 -20.6609 -8.3093 -8.3093 -8.2443 -8.2443 -7.2448 -7.2448 -7.1223 -7.1223 -5.4307 -5.4307 -5.4110 -5.4110 -5.2888 -5.2888 -5.2825 -5.2825 -3.7884 -3.7884 -3.7311 -3.7311 1.4922 1.4922 1.5024 1.5024 2.6269 2.6269 2.6326 2.6326 3.2968 3.2968 3.3358 3.3358 5.1539 5.1539 5.1806 5.1806 5.5652 5.5652 5.5685 5.5685 9.3730 9.3730 9.3808 9.3808 9.9102 9.9102 9.9221 9.9221 k = 0.1651-0.3239 0.3296 ( 5090 PWs) bands (ev): -20.6613 -20.6613 -20.6613 -20.6613 -8.3118 -8.3118 -8.2476 -8.2476 -7.2434 -7.2434 -7.1209 -7.1209 -5.4300 -5.4300 -5.4107 -5.4107 -5.2754 -5.2754 -5.2636 -5.2636 -3.7830 -3.7830 -3.7311 -3.7311 1.4607 1.4607 1.4714 1.4714 2.6232 2.6232 2.6251 2.6251 3.3038 3.3038 3.3445 3.3445 5.1505 5.1505 5.1771 5.1771 5.5647 5.5647 5.5686 5.5686 9.3549 9.3549 9.3634 9.3634 9.9255 9.9255 9.9394 9.9394 k = 0.1576-0.3092 0.3296 ( 5082 PWs) bands (ev): -20.6618 -20.6618 -20.6618 -20.6618 -8.3141 -8.3141 -8.2509 -8.2509 -7.2417 -7.2417 -7.1196 -7.1196 -5.4287 -5.4287 -5.4097 -5.4097 -5.2620 -5.2620 -5.2453 -5.2453 -3.7779 -3.7779 -3.7312 -3.7312 1.4303 1.4303 1.4414 1.4414 2.6195 2.6195 2.6213 2.6213 3.3093 3.3093 3.3516 3.3516 5.1477 5.1477 5.1741 5.1741 5.5633 5.5633 5.5675 5.5675 9.3285 9.3285 9.3372 9.3372 9.9491 9.9491 9.9646 9.9646 k = 0.1501-0.2945 0.3296 ( 5080 PWs) bands (ev): -20.6623 -20.6623 -20.6623 -20.6623 -8.3162 -8.3162 -8.2544 -8.2544 -7.2395 -7.2395 -7.1186 -7.1186 -5.4269 -5.4269 -5.4082 -5.4082 -5.2491 -5.2491 -5.2280 -5.2280 -3.7731 -3.7731 -3.7314 -3.7314 1.4009 1.4009 1.4124 1.4124 2.6158 2.6158 2.6211 2.6211 3.3134 3.3134 3.3568 3.3568 5.1457 5.1457 5.1716 5.1716 5.5609 5.5609 5.5654 5.5654 9.2969 9.2969 9.3054 9.3054 9.9772 9.9772 9.9941 9.9941 k = 0.1426-0.2797 0.3296 ( 5072 PWs) bands (ev): -20.6628 -20.6628 -20.6628 -20.6628 -8.3182 -8.3182 -8.2579 -8.2579 -7.2369 -7.2369 -7.1178 -7.1178 -5.4245 -5.4245 -5.4060 -5.4060 -5.2365 -5.2365 -5.2117 -5.2117 -3.7685 -3.7685 -3.7316 -3.7316 1.3726 1.3726 1.3844 1.3844 2.6140 2.6140 2.6225 2.6225 3.3157 3.3157 3.3601 3.3601 5.1446 5.1446 5.1698 5.1698 5.5575 5.5575 5.5621 5.5621 9.2622 9.2622 9.2703 9.2703 10.0060 10.0060 10.0244 10.0244 k = 0.1351-0.2650 0.3296 ( 5072 PWs) bands (ev): -20.6633 -20.6633 -20.6633 -20.6633 -8.3201 -8.3201 -8.2615 -8.2615 -7.2339 -7.2339 -7.1171 -7.1171 -5.4214 -5.4214 -5.4033 -5.4033 -5.2246 -5.2246 -5.1966 -5.1966 -3.7641 -3.7641 -3.7317 -3.7317 1.3455 1.3455 1.3574 1.3574 2.6141 2.6141 2.6257 2.6257 3.3163 3.3163 3.3614 3.3614 5.1444 5.1444 5.1688 5.1688 5.5532 5.5532 5.5578 5.5578 9.2260 9.2260 9.2336 9.2336 10.0314 10.0314 10.0509 10.0509 k = 0.1276-0.2503 0.3296 ( 5070 PWs) bands (ev): -20.6638 -20.6638 -20.6638 -20.6638 -8.3217 -8.3217 -8.2651 -8.2651 -7.2305 -7.2305 -7.1167 -7.1167 -5.4178 -5.4178 -5.4000 -5.4000 -5.2133 -5.2133 -5.1828 -5.1828 -3.7599 -3.7599 -3.7318 -3.7318 1.3195 1.3195 1.3316 1.3316 2.6161 2.6161 2.6306 2.6306 3.3150 3.3150 3.3606 3.3606 5.1453 5.1453 5.1687 5.1687 5.5480 5.5480 5.5525 5.5525 9.1894 9.1894 9.1964 9.1964 10.0481 10.0481 10.0675 10.0675 k = 0.1201-0.2356 0.3296 ( 5068 PWs) bands (ev): -20.6643 -20.6643 -20.6643 -20.6643 -8.3232 -8.3232 -8.2688 -8.2688 -7.2268 -7.2268 -7.1164 -7.1164 -5.4136 -5.4136 -5.3962 -5.3962 -5.2028 -5.2028 -5.1703 -5.1703 -3.7558 -3.7558 -3.7317 -3.7317 1.2948 1.2948 1.3069 1.3069 2.6199 2.6199 2.6370 2.6370 3.3117 3.3117 3.3576 3.3576 5.1473 5.1473 5.1695 5.1695 5.5420 5.5420 5.5463 5.5463 9.1529 9.1529 9.1593 9.1593 10.0516 10.0516 10.0686 10.0686 k = 0.1126-0.2208 0.3296 ( 5064 PWs) bands (ev): -20.6648 -20.6648 -20.6648 -20.6648 -8.3245 -8.3245 -8.2726 -8.2726 -7.2227 -7.2227 -7.1163 -7.1163 -5.4089 -5.4089 -5.3920 -5.3920 -5.1931 -5.1931 -5.1593 -5.1593 -3.7520 -3.7520 -3.7315 -3.7315 1.2713 1.2713 1.2834 1.2834 2.6256 2.6256 2.6451 2.6451 3.3066 3.3066 3.3525 3.3525 5.1504 5.1504 5.1714 5.1714 5.5351 5.5351 5.5393 5.5393 9.1169 9.1169 9.1227 9.1227 10.0427 10.0427 10.0562 10.0562 k = 0.1051-0.2061 0.3296 ( 5066 PWs) bands (ev): -20.6652 -20.6652 -20.6652 -20.6652 -8.3257 -8.3257 -8.2764 -8.2764 -7.2182 -7.2182 -7.1164 -7.1164 -5.4037 -5.4037 -5.3873 -5.3873 -5.1843 -5.1843 -5.1497 -5.1497 -3.7482 -3.7482 -3.7311 -3.7311 1.2491 1.2491 1.2610 1.2610 2.6330 2.6330 2.6546 2.6546 3.2995 3.2995 3.3452 3.3452 5.1545 5.1545 5.1743 5.1743 5.5276 5.5276 5.5315 5.5315 9.0816 9.0816 9.0868 9.0868 10.0266 10.0266 10.0371 10.0371 k = 0.0976-0.1914 0.3296 ( 5074 PWs) bands (ev): -20.6657 -20.6657 -20.6657 -20.6657 -8.3267 -8.3267 -8.2801 -8.2801 -7.2135 -7.2135 -7.1168 -7.1168 -5.3980 -5.3980 -5.3823 -5.3823 -5.1764 -5.1764 -5.1416 -5.1416 -3.7446 -3.7446 -3.7305 -3.7305 1.2283 1.2283 1.2400 1.2400 2.6421 2.6421 2.6655 2.6655 3.2906 3.2906 3.3358 3.3358 5.1598 5.1598 5.1782 5.1782 5.5194 5.5194 5.5232 5.5232 9.0472 9.0472 9.0518 9.0518 10.0083 10.0083 10.0169 10.0169 k = 0.0901-0.1767 0.3296 ( 5070 PWs) bands (ev): -20.6661 -20.6661 -20.6661 -20.6661 -8.3275 -8.3275 -8.2839 -8.2839 -7.2086 -7.2086 -7.1173 -7.1173 -5.3920 -5.3920 -5.3770 -5.3770 -5.1694 -5.1694 -5.1349 -5.1349 -3.7412 -3.7412 -3.7297 -3.7297 1.2089 1.2089 1.2202 1.2202 2.6527 2.6527 2.6776 2.6776 3.2800 3.2800 3.3246 3.3246 5.1660 5.1660 5.1831 5.1831 5.5106 5.5106 5.5143 5.5143 9.0137 9.0137 9.0176 9.0176 9.9911 9.9911 9.9983 9.9983 k = 0.0826-0.1620 0.3296 ( 5064 PWs) bands (ev): -20.6666 -20.6666 -20.6666 -20.6666 -8.3281 -8.3281 -8.2877 -8.2877 -7.2034 -7.2034 -7.1181 -7.1181 -5.3857 -5.3857 -5.3716 -5.3716 -5.1634 -5.1634 -5.1296 -5.1296 -3.7379 -3.7379 -3.7287 -3.7287 1.1909 1.1909 1.2017 1.2017 2.6647 2.6647 2.6908 2.6908 3.2679 3.2679 3.3115 3.3115 5.1731 5.1731 5.1889 5.1889 5.5015 5.5015 5.5051 5.5051 8.9812 8.9812 8.9846 8.9846 9.9764 9.9764 9.9827 9.9827 k = 0.0751-0.1472 0.3296 ( 5058 PWs) bands (ev): -20.6670 -20.6670 -20.6670 -20.6670 -8.3286 -8.3286 -8.2913 -8.2913 -7.1980 -7.1980 -7.1191 -7.1191 -5.3792 -5.3792 -5.3660 -5.3660 -5.1582 -5.1582 -5.1257 -5.1257 -3.7348 -3.7348 -3.7276 -3.7276 1.1744 1.1744 1.1846 1.1846 2.6780 2.6780 2.7050 2.7050 3.2544 3.2544 3.2969 3.2969 5.1810 5.1810 5.1955 5.1955 5.4921 5.4921 5.4956 5.4956 8.9500 8.9500 8.9528 8.9528 9.9652 9.9652 9.9709 9.9709 k = 0.0675-0.1325 0.3296 ( 5054 PWs) bands (ev): -20.6673 -20.6673 -20.6673 -20.6673 -8.3288 -8.3288 -8.2949 -8.2949 -7.1926 -7.1926 -7.1204 -7.1204 -5.3725 -5.3725 -5.3604 -5.3604 -5.1537 -5.1537 -5.1231 -5.1231 -3.7319 -3.7319 -3.7263 -3.7263 1.1594 1.1594 1.1689 1.1689 2.6923 2.6923 2.7198 2.7198 3.2399 3.2399 3.2810 3.2810 5.1895 5.1895 5.2027 5.2027 5.4826 5.4826 5.4860 5.4860 8.9201 8.9201 8.9225 8.9225 9.9577 9.9577 9.9629 9.9629 k = 0.0600-0.1178 0.3296 ( 5060 PWs) bands (ev): -20.6677 -20.6677 -20.6677 -20.6677 -8.3288 -8.3288 -8.2984 -8.2984 -7.1871 -7.1871 -7.1220 -7.1220 -5.3659 -5.3659 -5.3550 -5.3550 -5.1501 -5.1501 -5.1216 -5.1216 -3.7292 -3.7292 -3.7250 -3.7250 1.1460 1.1460 1.1547 1.1547 2.7074 2.7074 2.7349 2.7349 3.2248 3.2248 3.2641 3.2641 5.1984 5.1984 5.2103 5.2103 5.4731 5.4731 5.4764 5.4764 8.8921 8.8921 8.8940 8.8940 9.9537 9.9537 9.9585 9.9585 k = 0.0525-0.1031 0.3296 ( 5052 PWs) bands (ev): -20.6680 -20.6680 -20.6680 -20.6680 -8.3286 -8.3286 -8.3018 -8.3018 -7.1815 -7.1815 -7.1239 -7.1239 -5.3595 -5.3595 -5.3498 -5.3498 -5.1470 -5.1470 -5.1211 -5.1211 -3.7267 -3.7267 -3.7237 -3.7237 1.1341 1.1341 1.1419 1.1419 2.7231 2.7231 2.7501 2.7501 3.2095 3.2095 3.2466 3.2466 5.2075 5.2075 5.2181 5.2181 5.4638 5.4638 5.4670 5.4670 8.8661 8.8661 8.8677 8.8677 9.9530 9.9530 9.9574 9.9574 k = 0.0450-0.0883 0.3296 ( 5042 PWs) bands (ev): -20.6683 -20.6683 -20.6683 -20.6683 -8.3282 -8.3282 -8.3051 -8.3051 -7.1760 -7.1760 -7.1261 -7.1261 -5.3533 -5.3533 -5.3449 -5.3449 -5.1445 -5.1445 -5.1215 -5.1215 -3.7245 -3.7245 -3.7224 -3.7224 1.1239 1.1239 1.1307 1.1307 2.7390 2.7390 2.7648 2.7648 3.1945 3.1945 3.2288 3.2288 5.2165 5.2165 5.2259 5.2259 5.4549 5.4549 5.4579 5.4579 8.8426 8.8426 8.8438 8.8438 9.9548 9.9548 9.9588 9.9588 k = 0.0375-0.0736 0.3296 ( 5046 PWs) bands (ev): -20.6685 -20.6685 -20.6685 -20.6685 -8.3275 -8.3275 -8.3082 -8.3082 -7.1706 -7.1706 -7.1287 -7.1287 -5.3476 -5.3476 -5.3406 -5.3406 -5.1423 -5.1423 -5.1226 -5.1226 -3.7226 -3.7226 -3.7211 -3.7211 1.1152 1.1152 1.1211 1.1211 2.7546 2.7546 2.7785 2.7785 3.1805 3.1805 3.2113 3.2113 5.2252 5.2252 5.2332 5.2332 5.4467 5.4467 5.4495 5.4495 8.8220 8.8220 8.8229 8.8229 9.9584 9.9584 9.9619 9.9619 k = 0.0300-0.0589 0.3296 ( 5046 PWs) bands (ev): -20.6687 -20.6687 -20.6687 -20.6687 -8.3266 -8.3266 -8.3111 -8.3111 -7.1653 -7.1653 -7.1315 -7.1315 -5.3426 -5.3426 -5.3369 -5.3369 -5.1404 -5.1404 -5.1242 -5.1242 -3.7210 -3.7210 -3.7200 -3.7200 1.1083 1.1083 1.1130 1.1130 2.7695 2.7695 2.7906 2.7906 3.1682 3.1682 3.1947 3.1947 5.2332 5.2332 5.2399 5.2399 5.4394 5.4394 5.4419 5.4419 8.8045 8.8045 8.8052 8.8052 9.9631 9.9631 9.9660 9.9660 k = 0.0225-0.0442 0.3296 ( 5040 PWs) bands (ev): -20.6688 -20.6688 -20.6688 -20.6688 -8.3255 -8.3255 -8.3138 -8.3138 -7.1602 -7.1602 -7.1347 -7.1347 -5.3383 -5.3383 -5.3341 -5.3341 -5.1385 -5.1385 -5.1262 -5.1262 -3.7198 -3.7198 -3.7191 -3.7191 1.1030 1.1030 1.1066 1.1066 2.7830 2.7830 2.8002 2.8002 3.1583 3.1583 3.1796 3.1796 5.2403 5.2403 5.2454 5.2454 5.4333 5.4333 5.4354 5.4354 8.7906 8.7906 8.7911 8.7911 9.9679 9.9679 9.9702 9.9702 k = 0.0150-0.0294 0.3296 ( 5046 PWs) bands (ev): -20.6689 -20.6689 -20.6689 -20.6689 -8.3241 -8.3241 -8.3163 -8.3163 -7.1553 -7.1553 -7.1382 -7.1382 -5.3349 -5.3349 -5.3321 -5.3321 -5.1367 -5.1367 -5.1284 -5.1284 -3.7188 -3.7188 -3.7185 -3.7185 1.0994 1.0994 1.1018 1.1018 2.7945 2.7945 2.8068 2.8068 3.1518 3.1518 3.1668 3.1668 5.2459 5.2459 5.2494 5.2494 5.4288 5.4288 5.4303 5.4303 8.7804 8.7804 8.7807 8.7807 9.9721 9.9721 9.9737 9.9737 k = 0.0075-0.0147 0.3296 ( 5050 PWs) bands (ev): -20.6690 -20.6690 -20.6690 -20.6690 -8.3225 -8.3225 -8.3186 -8.3186 -7.1506 -7.1506 -7.1420 -7.1420 -5.3325 -5.3325 -5.3312 -5.3312 -5.1348 -5.1348 -5.1306 -5.1306 -3.7183 -3.7183 -3.7181 -3.7181 1.0974 1.0974 1.0987 1.0987 2.8032 2.8032 2.8096 2.8096 3.1493 3.1493 3.1570 3.1570 5.2498 5.2498 5.2516 5.2516 5.4261 5.4261 5.4269 5.4269 8.7743 8.7743 8.7745 8.7745 9.9750 9.9750 9.9759 9.9759 k = 0.0000 0.0000 0.3296 ( 5052 PWs) bands (ev): -20.6690 -20.6690 -20.6690 -20.6690 -8.3208 -8.3208 -8.3206 -8.3206 -7.1462 -7.1462 -7.1462 -7.1462 -5.3313 -5.3313 -5.3313 -5.3313 -5.1328 -5.1328 -5.1328 -5.1328 -3.7181 -3.7181 -3.7179 -3.7179 1.0971 1.0971 1.0973 1.0973 2.8083 2.8083 2.8084 2.8084 3.1510 3.1510 3.1511 3.1511 5.2517 5.2517 5.2519 5.2519 5.4254 5.4254 5.4256 5.4256 8.7723 8.7723 8.7723 8.7723 9.9763 9.9763 9.9764 9.9764 k = 0.0000 0.0000 0.3296 ( 5052 PWs) bands (ev): -20.6690 -20.6690 -20.6690 -20.6690 -8.3208 -8.3208 -8.3206 -8.3206 -7.1462 -7.1462 -7.1462 -7.1462 -5.3313 -5.3313 -5.3313 -5.3313 -5.1328 -5.1328 -5.1328 -5.1328 -3.7181 -3.7181 -3.7179 -3.7179 1.0971 1.0971 1.0973 1.0973 2.8083 2.8083 2.8084 2.8084 3.1510 3.1510 3.1511 3.1511 5.2517 5.2517 5.2519 5.2519 5.4254 5.4254 5.4256 5.4256 8.7723 8.7723 8.7723 8.7723 9.9763 9.9763 9.9764 9.9764 k = 0.0148 0.0075 0.3296 ( 5054 PWs) bands (ev): -20.6690 -20.6690 -20.6690 -20.6690 -8.3258 -8.3258 -8.3150 -8.3150 -7.1526 -7.1526 -7.1399 -7.1399 -5.3327 -5.3327 -5.3309 -5.3309 -5.1398 -5.1398 -5.1263 -5.1263 -3.7226 -3.7226 -3.7150 -3.7150 1.0874 1.0874 1.1135 1.1135 2.8045 2.8045 2.8136 2.8136 3.1361 3.1361 3.1667 3.1667 5.2426 5.2426 5.2590 5.2590 5.3999 5.3999 5.4502 5.4502 8.7496 8.7496 8.7994 8.7994 9.9686 9.9686 9.9842 9.9842 k = 0.0295 0.0151 0.3296 ( 5060 PWs) bands (ev): -20.6690 -20.6690 -20.6690 -20.6690 -8.3304 -8.3304 -8.3086 -8.3086 -7.1592 -7.1592 -7.1339 -7.1339 -5.3350 -5.3350 -5.3317 -5.3317 -5.1475 -5.1475 -5.1204 -5.1204 -3.7284 -3.7284 -3.7137 -3.7137 1.0842 1.0842 1.1361 1.1361 2.8021 2.8021 2.8203 2.8203 3.1221 3.1221 3.1829 3.1829 5.2316 5.2316 5.2641 5.2641 5.3740 5.3740 5.4734 5.4734 8.7315 8.7315 8.8307 8.8307 9.9602 9.9602 9.9928 9.9928 k = 0.0443 0.0226 0.3296 ( 5060 PWs) bands (ev): -20.6690 -20.6690 -20.6689 -20.6689 -8.3345 -8.3345 -8.3017 -8.3017 -7.1661 -7.1661 -7.1280 -7.1280 -5.3381 -5.3381 -5.3338 -5.3338 -5.1560 -5.1560 -5.1149 -5.1149 -3.7352 -3.7352 -3.7145 -3.7145 1.0877 1.0877 1.1648 1.1648 2.8012 2.8012 2.8284 2.8284 3.1092 3.1092 3.1994 3.1994 5.2186 5.2186 5.2669 5.2669 5.3486 5.3486 5.4948 5.4948 8.7179 8.7179 8.8660 8.8660 9.9504 9.9504 10.0025 10.0025 k = 0.0591 0.0301 0.3296 ( 5060 PWs) bands (ev): -20.6689 -20.6689 -20.6688 -20.6688 -8.3380 -8.3380 -8.2940 -8.2940 -7.1732 -7.1732 -7.1223 -7.1223 -5.3418 -5.3418 -5.3374 -5.3374 -5.1653 -5.1653 -5.1096 -5.1096 -3.7426 -3.7426 -3.7175 -3.7175 1.0979 1.0979 1.1992 1.1992 2.8016 2.8016 2.8379 2.8379 3.0976 3.0976 3.2160 3.2160 5.2038 5.2038 5.2665 5.2665 5.3252 5.3252 5.5141 5.5141 8.7088 8.7088 8.9051 8.9051 9.9385 9.9385 10.0138 10.0138 k = 0.0738 0.0376 0.3296 ( 5071 PWs) bands (ev): -20.6688 -20.6688 -20.6687 -20.6687 -8.3411 -8.3411 -8.2857 -8.2857 -7.1805 -7.1805 -7.1167 -7.1167 -5.3461 -5.3461 -5.3425 -5.3425 -5.1754 -5.1754 -5.1046 -5.1046 -3.7505 -3.7505 -3.7228 -3.7228 1.1148 1.1148 1.2392 1.2392 2.8034 2.8034 2.8486 2.8486 3.0875 3.0875 3.2325 3.2325 5.1872 5.1872 5.2604 5.2604 5.3065 5.3065 5.5309 5.5309 8.7040 8.7040 8.9477 8.9477 9.9235 9.9235 10.0266 10.0266 k = 0.0886 0.0452 0.3296 ( 5070 PWs) bands (ev): -20.6687 -20.6687 -20.6686 -20.6686 -8.3438 -8.3438 -8.2767 -8.2767 -7.1881 -7.1881 -7.1113 -7.1113 -5.3514 -5.3514 -5.3488 -5.3488 -5.1862 -5.1862 -5.0996 -5.0996 -3.7585 -3.7585 -3.7304 -3.7304 1.1384 1.1384 1.2844 1.2844 2.8066 2.8066 2.8605 2.8605 3.0790 3.0790 3.2486 3.2486 5.1690 5.1690 5.2466 5.2466 5.2953 5.2953 5.5449 5.5449 8.7033 8.7033 8.9934 8.9934 9.9043 9.9043 10.0407 10.0407 k = 0.1034 0.0527 0.3296 ( 5065 PWs) bands (ev): -20.6686 -20.6686 -20.6685 -20.6685 -8.3461 -8.3461 -8.2670 -8.2670 -7.1960 -7.1960 -7.1059 -7.1059 -5.3595 -5.3595 -5.3546 -5.3546 -5.1975 -5.1975 -5.0946 -5.0946 -3.7666 -3.7666 -3.7402 -3.7402 1.1684 1.1684 1.3345 1.3345 2.8109 2.8109 2.8735 2.8735 3.0723 3.0723 3.2641 3.2641 5.1493 5.1493 5.2273 5.2273 5.2897 5.2897 5.5560 5.5560 8.7065 8.7065 9.0419 9.0419 9.8798 9.8798 10.0539 10.0539 k = 0.1181 0.0602 0.3296 ( 5054 PWs) bands (ev): -20.6684 -20.6684 -20.6683 -20.6683 -8.3480 -8.3480 -8.2566 -8.2566 -7.2041 -7.2041 -7.1006 -7.1006 -5.3705 -5.3705 -5.3598 -5.3598 -5.2092 -5.2092 -5.0897 -5.0897 -3.7752 -3.7752 -3.7515 -3.7515 1.2048 1.2048 1.3891 1.3891 2.8164 2.8164 2.8874 2.8874 3.0676 3.0676 3.2788 3.2788 5.1284 5.1284 5.2066 5.2066 5.2861 5.2861 5.5641 5.5641 8.7129 8.7129 9.0928 9.0928 9.8486 9.8486 10.0565 10.0565 k = 0.1329 0.0678 0.3296 ( 5060 PWs) bands (ev): -20.6682 -20.6682 -20.6681 -20.6681 -8.3496 -8.3496 -8.2455 -8.2455 -7.2126 -7.2126 -7.0954 -7.0954 -5.3840 -5.3840 -5.3650 -5.3650 -5.2209 -5.2209 -5.0847 -5.0847 -3.7853 -3.7853 -3.7632 -3.7632 1.2472 1.2472 1.4478 1.4478 2.8230 2.8230 2.9019 2.9019 3.0652 3.0652 3.2926 3.2926 5.1063 5.1063 5.1863 5.1863 5.2831 5.2831 5.5690 5.5690 8.7222 8.7222 9.1458 9.1458 9.8091 9.8091 10.0149 10.0149 k = 0.1477 0.0753 0.3296 ( 5065 PWs) bands (ev): -20.6681 -20.6681 -20.6679 -20.6679 -8.3509 -8.3509 -8.2336 -8.2336 -7.2214 -7.2214 -7.0902 -7.0902 -5.3999 -5.3999 -5.3702 -5.3702 -5.2324 -5.2324 -5.0797 -5.0797 -3.7990 -3.7990 -3.7729 -3.7729 1.2954 1.2954 1.5103 1.5103 2.8305 2.8305 2.9169 2.9169 3.0652 3.0652 3.3052 3.3052 5.0832 5.0832 5.1673 5.1673 5.2803 5.2803 5.5706 5.5706 8.7335 8.7335 9.2004 9.2004 9.7600 9.7600 9.9282 9.9282 k = 0.1624 0.0828 0.3296 ( 5055 PWs) bands (ev): -20.6678 -20.6678 -20.6677 -20.6677 -8.3520 -8.3520 -8.2210 -8.2210 -7.2306 -7.2306 -7.0850 -7.0850 -5.4182 -5.4182 -5.3754 -5.3754 -5.2434 -5.2434 -5.0746 -5.0746 -3.8170 -3.8170 -3.7796 -3.7796 1.3490 1.3490 1.5762 1.5762 2.8388 2.8388 2.9318 2.9318 3.0681 3.0681 3.3166 3.3166 5.0593 5.0593 5.1500 5.1500 5.2776 5.2776 5.5691 5.5691 8.7458 8.7458 9.2563 9.2563 9.7001 9.7001 9.8272 9.8272 k = 0.1772 0.0903 0.3296 ( 5056 PWs) bands (ev): -20.6676 -20.6676 -20.6675 -20.6675 -8.3528 -8.3528 -8.2078 -8.2078 -7.2401 -7.2401 -7.0798 -7.0798 -5.4390 -5.4390 -5.3805 -5.3805 -5.2536 -5.2536 -5.0694 -5.0694 -3.8385 -3.8385 -3.7840 -3.7840 1.4077 1.4077 1.6451 1.6451 2.8477 2.8477 2.9463 2.9463 3.0740 3.0740 3.3266 3.3266 5.0346 5.0346 5.1347 5.1347 5.2753 5.2753 5.5644 5.5644 8.7577 8.7577 9.3131 9.3131 9.6287 9.6287 9.7226 9.7226 k = 0.1920 0.0979 0.3296 ( 5065 PWs) bands (ev): -20.6674 -20.6674 -20.6673 -20.6673 -8.3535 -8.3535 -8.1938 -8.1938 -7.2501 -7.2501 -7.0746 -7.0746 -5.4620 -5.4620 -5.3857 -5.3857 -5.2630 -5.2630 -5.0643 -5.0643 -3.8625 -3.8625 -3.7868 -3.7868 1.4710 1.4710 1.7165 1.7165 2.8570 2.8570 2.9600 2.9600 3.0834 3.0834 3.3353 3.3353 5.0094 5.0094 5.1215 5.1215 5.2734 5.2734 5.5567 5.5567 8.7671 8.7671 9.3701 9.3701 9.5461 9.5461 9.6194 9.6194 k = 0.2068 0.1054 0.3296 ( 5062 PWs) bands (ev): -20.6672 -20.6672 -20.6671 -20.6671 -8.3540 -8.3540 -8.1792 -8.1792 -7.2604 -7.2604 -7.0693 -7.0693 -5.4869 -5.4869 -5.3907 -5.3907 -5.2714 -5.2714 -5.0590 -5.0590 -3.8886 -3.8886 -3.7882 -3.7882 1.5386 1.5386 1.7900 1.7900 2.8666 2.8666 2.9727 2.9727 3.0961 3.0961 3.3428 3.3428 4.9837 4.9837 5.1104 5.1104 5.2724 5.2724 5.5461 5.5461 8.7707 8.7707 9.4246 9.4246 9.4542 9.4542 9.5232 9.5232 k = 0.2215 0.1129 0.3296 ( 5060 PWs) bands (ev): -20.6669 -20.6669 -20.6669 -20.6669 -8.3544 -8.3544 -8.1640 -8.1640 -7.2713 -7.2713 -7.0640 -7.0640 -5.5136 -5.5136 -5.3957 -5.3957 -5.2787 -5.2787 -5.0537 -5.0537 -3.9164 -3.9164 -3.7886 -3.7886 1.6098 1.6098 1.8652 1.8652 2.8763 2.8763 2.9844 2.9844 3.1121 3.1121 3.3489 3.3489 4.9579 4.9579 5.1011 5.1011 5.2724 5.2724 5.5327 5.5327 8.7640 8.7640 9.3498 9.3498 9.4269 9.4269 9.4936 9.4936 k = 0.2363 0.1204 0.3296 ( 5063 PWs) bands (ev): -20.6667 -20.6667 -20.6666 -20.6666 -8.3547 -8.3547 -8.1481 -8.1481 -7.2825 -7.2825 -7.0586 -7.0586 -5.5415 -5.5415 -5.4006 -5.4006 -5.2850 -5.2850 -5.0484 -5.0484 -3.9456 -3.9456 -3.7879 -3.7879 1.6844 1.6844 1.9417 1.9417 2.8858 2.8858 2.9953 2.9953 3.1309 3.1309 3.3540 3.3540 4.9320 4.9320 5.0935 5.0935 5.2738 5.2738 5.5169 5.5169 8.7410 8.7410 9.2402 9.2402 9.3600 9.3600 9.5479 9.5479 k = 0.2511 0.1280 0.3296 ( 5061 PWs) bands (ev): -20.6664 -20.6664 -20.6664 -20.6664 -8.3549 -8.3549 -8.1317 -8.1317 -7.2942 -7.2942 -7.0532 -7.0532 -5.5704 -5.5704 -5.4054 -5.4054 -5.2902 -5.2902 -5.0431 -5.0431 -3.9759 -3.9759 -3.7864 -3.7864 1.7616 1.7616 2.0190 2.0190 2.8949 2.8949 3.0055 3.0055 3.1518 3.1518 3.3582 3.3582 4.9065 4.9065 5.0872 5.0872 5.2768 5.2768 5.4989 5.4989 8.6967 8.6967 9.1248 9.1248 9.3131 9.3131 9.6048 9.6048 k = 0.2658 0.1355 0.3296 ( 5067 PWs) bands (ev): -20.6662 -20.6662 -20.6662 -20.6662 -8.3551 -8.3551 -8.1148 -8.1148 -7.3064 -7.3064 -7.0476 -7.0476 -5.5999 -5.5999 -5.4102 -5.4102 -5.2943 -5.2943 -5.0377 -5.0377 -4.0071 -4.0071 -3.7842 -3.7842 1.8410 1.8410 2.0965 2.0965 2.9035 2.9035 3.0155 3.0155 3.1742 3.1742 3.3617 3.3617 4.8815 4.8815 5.0820 5.0820 5.2815 5.2815 5.4792 5.4792 8.6304 8.6304 9.0053 9.0053 9.2899 9.2899 9.6615 9.6615 k = 0.2806 0.1430 0.3296 ( 5073 PWs) bands (ev): -20.6660 -20.6660 -20.6659 -20.6659 -8.3552 -8.3552 -8.0974 -8.0974 -7.3191 -7.3191 -7.0421 -7.0421 -5.6296 -5.6296 -5.4149 -5.4149 -5.2974 -5.2974 -5.0323 -5.0323 -4.0388 -4.0388 -3.7813 -3.7813 1.9219 1.9219 2.1740 2.1740 2.9113 2.9113 3.0253 3.0253 3.1974 3.1974 3.3647 3.3647 4.8574 4.8574 5.0777 5.0777 5.2879 5.2879 5.4580 5.4580 8.5461 8.5461 8.8833 8.8833 9.2869 9.2869 9.7174 9.7174 k = 0.2954 0.1506 0.3296 ( 5072 PWs) bands (ev): -20.6658 -20.6658 -20.6657 -20.6657 -8.3553 -8.3553 -8.0797 -8.0797 -7.3322 -7.3322 -7.0365 -7.0365 -5.6592 -5.6592 -5.4195 -5.4195 -5.2995 -5.2995 -5.0269 -5.0269 -4.0708 -4.0708 -3.7779 -3.7779 2.0039 2.0039 2.2507 2.2507 2.9182 2.9182 3.0350 3.0350 3.2206 3.2206 3.3677 3.3677 4.8344 4.8344 5.0742 5.0742 5.2958 5.2958 5.4361 5.4361 8.4498 8.4498 8.7604 8.7604 9.2988 9.2988 9.7722 9.7722 k = 0.3101 0.1581 0.3296 ( 5073 PWs) bands (ev): -20.6655 -20.6655 -20.6654 -20.6654 -8.3553 -8.3553 -8.0617 -8.0617 -7.3456 -7.3456 -7.0309 -7.0309 -5.6884 -5.6884 -5.4240 -5.4240 -5.3006 -5.3006 -5.0215 -5.0215 -4.1028 -4.1028 -3.7740 -3.7740 2.0862 2.0862 2.3264 2.3264 2.9242 2.9242 3.0447 3.0447 3.2428 3.2428 3.3710 3.3710 4.8126 4.8126 5.0714 5.0714 5.3046 5.3046 5.4143 5.4143 8.3469 8.3469 8.6379 8.6379 9.3205 9.3205 9.8258 9.8258 k = 0.3249 0.1656 0.3296 ( 5070 PWs) bands (ev): -20.6654 -20.6654 -20.6652 -20.6652 -8.3553 -8.3553 -8.0436 -8.0436 -7.3594 -7.3594 -7.0253 -7.0253 -5.7167 -5.7167 -5.4283 -5.4283 -5.3008 -5.3008 -5.0161 -5.0161 -4.1346 -4.1346 -3.7700 -3.7700 2.1683 2.1683 2.4003 2.4003 2.9291 2.9291 3.0543 3.0543 3.2628 3.2628 3.3752 3.3752 4.7925 4.7925 5.0693 5.0693 5.3128 5.3128 5.3942 5.3942 8.2412 8.2412 8.5171 8.5171 9.3484 9.3484 9.8778 9.8778 k = 0.3397 0.1731 0.3296 ( 5070 PWs) bands (ev): -20.6652 -20.6652 -20.6649 -20.6649 -8.3553 -8.3553 -8.0254 -8.0254 -7.3735 -7.3735 -7.0198 -7.0198 -5.7441 -5.7441 -5.4324 -5.4324 -5.3002 -5.3002 -5.0106 -5.0106 -4.1657 -4.1657 -3.7657 -3.7657 2.2495 2.2495 2.4720 2.4720 2.9330 2.9330 3.0638 3.0638 3.2793 3.2793 3.3812 3.3812 4.7742 4.7742 5.0681 5.0681 5.3172 5.3172 5.3793 5.3793 8.1358 8.1358 8.3993 8.3993 9.3801 9.3801 9.9281 9.9281 k = 0.3544 0.1807 0.3296 ( 5075 PWs) bands (ev): -20.6650 -20.6650 -20.6647 -20.6647 -8.3553 -8.3553 -8.0075 -8.0075 -7.3876 -7.3876 -7.0145 -7.0145 -5.7700 -5.7700 -5.4362 -5.4362 -5.2989 -5.2989 -5.0052 -5.0052 -4.1961 -4.1961 -3.7613 -3.7613 2.3291 2.3291 2.5409 2.5409 2.9360 2.9360 3.0730 3.0730 3.2909 3.2909 3.3895 3.3895 4.7578 4.7578 5.0678 5.0678 5.3123 5.3123 5.3751 5.3751 8.0328 8.0328 8.2856 8.2856 9.4137 9.4137 9.9762 9.9762 k = 0.3692 0.1882 0.3296 ( 5075 PWs) bands (ev): -20.6649 -20.6649 -20.6645 -20.6645 -8.3552 -8.3552 -7.9899 -7.9899 -7.4017 -7.4017 -7.0093 -7.0093 -5.7944 -5.7944 -5.4397 -5.4397 -5.2971 -5.2971 -4.9999 -4.9999 -4.2252 -4.2252 -3.7570 -3.7570 2.4063 2.4063 2.6064 2.6064 2.9381 2.9381 3.0818 3.0818 3.2972 3.2972 3.3999 3.3999 4.7436 4.7436 5.0684 5.0684 5.2986 5.2986 5.3813 5.3813 7.9338 7.9338 8.1774 8.1774 9.4479 9.4479 10.0219 10.0219 k = 0.3840 0.1957 0.3296 ( 5078 PWs) bands (ev): -20.6647 -20.6647 -20.6643 -20.6643 -8.3551 -8.3551 -7.9729 -7.9729 -7.4157 -7.4157 -7.0044 -7.0044 -5.8169 -5.8169 -5.4429 -5.4429 -5.2947 -5.2947 -4.9947 -4.9947 -4.2529 -4.2529 -3.7528 -3.7528 2.4804 2.4804 2.6681 2.6681 2.9394 2.9394 3.0901 3.0901 3.2985 3.2985 3.4115 3.4115 4.7316 4.7316 5.0700 5.0700 5.2816 5.2816 5.3922 5.3922 7.8406 7.8406 8.0758 8.0758 9.4814 9.4814 10.0648 10.0648 k = 0.3987 0.2033 0.3296 ( 5078 PWs) bands (ev): -20.6646 -20.6646 -20.6641 -20.6641 -8.3550 -8.3550 -7.9568 -7.9568 -7.4291 -7.4291 -6.9999 -6.9999 -5.8374 -5.8374 -5.4456 -5.4456 -5.2920 -5.2920 -4.9897 -4.9897 -4.2788 -4.2788 -3.7487 -3.7487 2.5506 2.5506 2.7251 2.7251 2.9402 2.9402 3.0977 3.0977 3.2957 3.2957 3.4227 3.4227 4.7218 4.7218 5.0723 5.0723 5.2648 5.2648 5.4045 5.4045 7.7544 7.7544 7.9822 7.9822 9.5132 9.5132 10.1046 10.1046 k = 0.4135 0.2108 0.3296 ( 5069 PWs) bands (ev): -20.6645 -20.6645 -20.6639 -20.6639 -8.3548 -8.3548 -7.9418 -7.9418 -7.4418 -7.4418 -6.9958 -6.9958 -5.8557 -5.8557 -5.4480 -5.4480 -5.2891 -5.2891 -4.9850 -4.9850 -4.3026 -4.3026 -3.7448 -3.7448 2.6159 2.6159 2.7770 2.7770 2.9406 2.9406 3.1044 3.1044 3.2898 3.2898 3.4324 3.4324 4.7141 4.7141 5.0754 5.0754 5.2495 5.2495 5.4169 5.4169 7.6766 7.6766 7.8978 7.8978 9.5425 9.5425 10.1407 10.1407 k = 0.4283 0.2183 0.3296 ( 5077 PWs) bands (ev): -20.6644 -20.6644 -20.6638 -20.6638 -8.3545 -8.3545 -7.9285 -7.9285 -7.4533 -7.4533 -6.9921 -6.9921 -5.8715 -5.8715 -5.4499 -5.4499 -5.2861 -5.2861 -4.9808 -4.9808 -4.3238 -4.3238 -3.7413 -3.7413 2.6754 2.6754 2.8227 2.8227 2.9407 2.9407 3.1103 3.1103 3.2814 3.2814 3.4399 3.4399 4.7084 4.7084 5.0788 5.0788 5.2364 5.2364 5.4285 5.4285 7.6084 7.6084 7.8238 7.8238 9.5684 9.5684 10.1727 10.1727 k = 0.4430 0.2258 0.3296 ( 5075 PWs) bands (ev): -20.6644 -20.6644 -20.6636 -20.6636 -8.3541 -8.3541 -7.9172 -7.9172 -7.4633 -7.4633 -6.9890 -6.9890 -5.8847 -5.8847 -5.4513 -5.4513 -5.2831 -5.2831 -4.9771 -4.9771 -4.3422 -4.3422 -3.7381 -3.7381 2.7279 2.7279 2.8616 2.8616 2.9406 2.9406 3.1152 3.1152 3.2715 3.2715 3.4448 3.4448 4.7045 4.7045 5.0823 5.0823 5.2258 5.2258 5.4388 5.4388 7.5511 7.5511 7.7616 7.7616 9.5902 9.5902 10.2002 10.2002 k = 0.4578 0.2334 0.3296 ( 5075 PWs) bands (ev): -20.6644 -20.6644 -20.6635 -20.6635 -8.3537 -8.3537 -7.9083 -7.9083 -7.4714 -7.4714 -6.9865 -6.9865 -5.8952 -5.8952 -5.4522 -5.4522 -5.2801 -5.2801 -4.9742 -4.9742 -4.3574 -4.3574 -3.7354 -3.7354 2.7720 2.7720 2.8927 2.8927 2.9402 2.9402 3.1194 3.1194 3.2613 3.2613 3.4470 3.4470 4.7022 4.7022 5.0855 5.0855 5.2178 5.2178 5.4472 5.4472 7.5057 7.5057 7.7123 7.7123 9.6075 9.6075 10.2228 10.2228 k = 0.4726 0.2409 0.3296 ( 5072 PWs) bands (ev): -20.6644 -20.6644 -20.6634 -20.6634 -8.3532 -8.3532 -7.9023 -7.9023 -7.4771 -7.4771 -6.9847 -6.9847 -5.9029 -5.9029 -5.4526 -5.4526 -5.2774 -5.2774 -4.9722 -4.9722 -4.3691 -4.3691 -3.7330 -3.7330 2.8062 2.8062 2.9147 2.9147 2.9394 2.9394 3.1230 3.1230 3.2522 3.2522 3.4467 3.4467 4.7014 4.7014 5.0882 5.0882 5.2125 5.2125 5.4535 5.4535 7.4731 7.4731 7.6768 7.6768 9.6197 9.6197 10.2400 10.2400 k = 0.4873 0.2484 0.3296 ( 5073 PWs) bands (ev): -20.6644 -20.6644 -20.6633 -20.6633 -8.3526 -8.3526 -7.8994 -7.8994 -7.4802 -7.4802 -6.9836 -6.9836 -5.9078 -5.9078 -5.4525 -5.4525 -5.2750 -5.2750 -4.9712 -4.9712 -4.3770 -4.3770 -3.7311 -3.7311 2.8285 2.8285 2.9269 2.9269 2.9382 2.9382 3.1264 3.1264 3.2457 3.2457 3.4442 3.4442 4.7019 4.7019 5.0899 5.0899 5.2098 5.2098 5.4574 5.4574 7.4539 7.4539 7.6559 7.6559 9.6267 9.6267 10.2516 10.2516 k = 0.5000 0.2549-0.3033 ( 5062 PWs) bands (ev): -20.6645 -20.6645 -20.6632 -20.6632 -8.3532 -8.3532 -7.8964 -7.8964 -7.4836 -7.4836 -6.9814 -6.9814 -5.9114 -5.9114 -5.4520 -5.4520 -5.2713 -5.2713 -4.9692 -4.9692 -4.3852 -4.3852 -3.7281 -3.7281 2.8355 2.8355 2.9293 2.9293 2.9376 2.9376 3.1294 3.1294 3.2445 3.2445 3.4447 3.4447 4.6994 4.6994 5.0897 5.0897 5.2058 5.2058 5.4576 5.4576 7.4476 7.4476 7.6503 7.6503 9.6249 9.6249 10.2562 10.2562 k = 0.5075 0.2401-0.3033 ( 5068 PWs) bands (ev): -20.6644 -20.6644 -20.6632 -20.6632 -8.3528 -8.3528 -7.8977 -7.8977 -7.4828 -7.4828 -6.9818 -6.9818 -5.9107 -5.9107 -5.4515 -5.4515 -5.2721 -5.2721 -4.9708 -4.9708 -4.3838 -4.3838 -3.7280 -3.7280 2.8321 2.8321 2.9320 2.9320 2.9364 2.9364 3.1296 3.1296 3.2416 3.2416 3.4434 3.4434 4.7011 4.7011 5.0908 5.0908 5.2078 5.2078 5.4574 5.4574 7.4504 7.4504 7.6514 7.6514 9.6217 9.6217 10.2593 10.2593 k = 0.5151 0.2253-0.3033 ( 5070 PWs) bands (ev): -20.6644 -20.6644 -20.6631 -20.6631 -8.3515 -8.3515 -7.9015 -7.9015 -7.4803 -7.4803 -6.9829 -6.9829 -5.9088 -5.9088 -5.4501 -5.4501 -5.2744 -5.2744 -4.9753 -4.9753 -4.3798 -4.3798 -3.7274 -3.7274 2.8226 2.8226 2.9320 2.9320 2.9403 2.9403 3.1301 3.1301 3.2331 3.2331 3.4394 3.4394 4.7060 4.7060 5.0940 5.0940 5.2135 5.2135 5.4568 5.4568 7.4588 7.4588 7.6548 7.6548 9.6125 9.6125 10.2679 10.2679 k = 0.5226 0.2105-0.3033 ( 5073 PWs) bands (ev): -20.6644 -20.6644 -20.6630 -20.6630 -8.3493 -8.3493 -7.9076 -7.9076 -7.4763 -7.4763 -6.9849 -6.9849 -5.9056 -5.9056 -5.4477 -5.4477 -5.2783 -5.2783 -4.9827 -4.9827 -4.3733 -4.3733 -3.7266 -3.7266 2.8087 2.8087 2.9257 2.9257 2.9511 2.9511 3.1309 3.1309 3.2194 3.2194 3.4330 3.4330 4.7140 4.7140 5.0994 5.0994 5.2229 5.2229 5.4558 5.4558 7.4725 7.4725 7.6605 7.6605 9.5985 9.5985 10.2804 10.2804 k = 0.5302 0.1956-0.3033 ( 5071 PWs) bands (ev): -20.6643 -20.6643 -20.6629 -20.6629 -8.3462 -8.3462 -7.9159 -7.9159 -7.4710 -7.4710 -6.9875 -6.9875 -5.9011 -5.9011 -5.4444 -5.4444 -5.2837 -5.2837 -4.9926 -4.9926 -4.3644 -4.3644 -3.7254 -3.7254 2.7917 2.7917 2.9168 2.9168 2.9640 2.9640 3.1313 3.1313 3.2011 3.2011 3.4242 3.4242 4.7249 4.7249 5.1066 5.1066 5.2354 5.2354 5.4548 5.4548 7.4916 7.4916 7.6685 7.6685 9.5812 9.5812 10.2947 10.2947 k = 0.5377 0.1808-0.3033 ( 5073 PWs) bands (ev): -20.6642 -20.6642 -20.6627 -20.6627 -8.3424 -8.3424 -7.9260 -7.9260 -7.4646 -7.4646 -6.9908 -6.9908 -5.8955 -5.8955 -5.4402 -5.4402 -5.2905 -5.2905 -5.0048 -5.0048 -4.3536 -4.3536 -3.7240 -3.7240 2.7722 2.7722 2.9055 2.9055 2.9781 2.9781 3.1299 3.1299 3.1804 3.1804 3.4135 3.4135 4.7384 4.7384 5.1154 5.1154 5.2506 5.2506 5.4539 5.4539 7.5156 7.5156 7.6791 7.6791 9.5621 9.5621 10.3089 10.3089 k = 0.5453 0.1660-0.3033 ( 5077 PWs) bands (ev): -20.6641 -20.6641 -20.6625 -20.6625 -8.3377 -8.3377 -7.9378 -7.9378 -7.4574 -7.4574 -6.9948 -6.9948 -5.8887 -5.8887 -5.4352 -5.4352 -5.2987 -5.2987 -5.0187 -5.0187 -4.3410 -4.3410 -3.7224 -3.7224 2.7506 2.7506 2.8920 2.8920 2.9928 2.9928 3.1220 3.1220 3.1625 3.1625 3.4011 3.4011 4.7542 4.7542 5.1256 5.1256 5.2678 5.2678 5.4534 5.4534 7.5444 7.5444 7.6922 7.6922 9.5428 9.5428 10.3217 10.3217 k = 0.5528 0.1512-0.3033 ( 5083 PWs) bands (ev): -20.6639 -20.6639 -20.6622 -20.6622 -8.3324 -8.3324 -7.9509 -7.9509 -7.4496 -7.4496 -6.9993 -6.9993 -5.8808 -5.8808 -5.4294 -5.4294 -5.3081 -5.3081 -5.0340 -5.0340 -4.3270 -4.3270 -3.7208 -3.7208 2.7271 2.7271 2.8764 2.8764 3.0072 3.0072 3.1016 3.1016 3.1548 3.1548 3.3872 3.3872 4.7720 4.7720 5.1367 5.1367 5.2864 5.2864 5.4536 5.4536 7.5776 7.5776 7.7079 7.7079 9.5243 9.5243 10.3325 10.3325 k = 0.5604 0.1364-0.3033 ( 5085 PWs) bands (ev): -20.6638 -20.6638 -20.6619 -20.6619 -8.3264 -8.3264 -7.9649 -7.9649 -7.4415 -7.4415 -7.0042 -7.0042 -5.8720 -5.8720 -5.4231 -5.4231 -5.3188 -5.3188 -5.0503 -5.0503 -4.3118 -4.3118 -3.7191 -3.7191 2.7018 2.7018 2.8587 2.8587 3.0177 3.0177 3.0760 3.0760 3.1538 3.1538 3.3722 3.3722 4.7916 4.7916 5.1482 5.1482 5.3056 5.3056 5.4550 5.4550 7.6149 7.6149 7.7265 7.7265 9.5075 9.5075 10.3412 10.3412 k = 0.5679 0.1216-0.3033 ( 5079 PWs) bands (ev): -20.6636 -20.6636 -20.6616 -20.6616 -8.3198 -8.3198 -7.9797 -7.9797 -7.4334 -7.4334 -7.0095 -7.0095 -5.8622 -5.8622 -5.4163 -5.4163 -5.3305 -5.3305 -5.0670 -5.0670 -4.2958 -4.2958 -3.7174 -3.7174 2.6749 2.6749 2.8392 2.8392 3.0095 3.0095 3.0650 3.0650 3.1550 3.1550 3.3563 3.3563 4.8126 4.8126 5.1598 5.1598 5.3249 5.3249 5.4578 5.4578 7.6558 7.6558 7.7481 7.7481 9.4934 9.4934 10.3479 10.3479 k = 0.5755 0.1068-0.3033 ( 5083 PWs) bands (ev): -20.6634 -20.6634 -20.6613 -20.6613 -8.3128 -8.3128 -7.9949 -7.9949 -7.4255 -7.4255 -7.0151 -7.0151 -5.8516 -5.8516 -5.4096 -5.4096 -5.3428 -5.3428 -5.0838 -5.0838 -4.2791 -4.2791 -3.7159 -3.7159 2.6465 2.6465 2.8178 2.8178 2.9780 2.9780 3.0750 3.0750 3.1568 3.1568 3.3399 3.3399 4.8347 4.8347 5.1710 5.1710 5.3437 5.3437 5.4624 5.4624 7.7000 7.7000 7.7726 7.7726 9.4823 9.4823 10.3528 10.3528 k = 0.5830 0.0920-0.3033 ( 5077 PWs) bands (ev): -20.6632 -20.6632 -20.6609 -20.6609 -8.3055 -8.3055 -8.0102 -8.0102 -7.4180 -7.4180 -7.0207 -7.0207 -5.8402 -5.8402 -5.4039 -5.4039 -5.3549 -5.3549 -5.1002 -5.1002 -4.2620 -4.2620 -3.7145 -3.7145 2.6167 2.6167 2.7947 2.7947 2.9387 2.9387 3.0912 3.0912 3.1587 3.1587 3.3234 3.3234 4.8578 4.8578 5.1812 5.1812 5.3616 5.3616 5.4689 5.4689 7.7471 7.7471 7.8002 7.8002 9.4748 9.4748 10.3559 10.3559 k = 0.5906 0.0772-0.3033 ( 5079 PWs) bands (ev): -20.6630 -20.6630 -20.6605 -20.6605 -8.2981 -8.2981 -8.0253 -8.0253 -7.4110 -7.4110 -7.0264 -7.0264 -5.8282 -5.8282 -5.4016 -5.4016 -5.3643 -5.3643 -5.1158 -5.1158 -4.2446 -4.2446 -3.7134 -3.7134 2.5858 2.5858 2.7700 2.7700 2.8968 2.8968 3.1089 3.1089 3.1602 3.1602 3.3075 3.3075 4.8814 4.8814 5.1901 5.1901 5.3784 5.3784 5.4772 5.4772 7.7967 7.7967 7.8310 7.8310 9.4711 9.4711 10.3575 10.3575 k = 0.5981 0.0624-0.3033 ( 5085 PWs) bands (ev): -20.6628 -20.6628 -20.6601 -20.6601 -8.2908 -8.2908 -8.0399 -8.0399 -7.4049 -7.4049 -7.0319 -7.0319 -5.8157 -5.8157 -5.4070 -5.4070 -5.3669 -5.3669 -5.1301 -5.1301 -4.2271 -4.2271 -3.7126 -3.7126 2.5539 2.5539 2.7437 2.7437 2.8536 2.8536 3.1261 3.1261 3.1616 3.1616 3.2927 3.2927 4.9052 4.9052 5.1976 5.1976 5.3941 5.3941 5.4873 5.4873 7.8484 7.8484 7.8648 7.8648 9.4716 9.4716 10.3575 10.3575 k = 0.6057 0.0476-0.3033 ( 5085 PWs) bands (ev): -20.6626 -20.6626 -20.6596 -20.6596 -8.2838 -8.2838 -8.0537 -8.0537 -7.3997 -7.3997 -7.0370 -7.0370 -5.8027 -5.8027 -5.4196 -5.4196 -5.3634 -5.3634 -5.1429 -5.1429 -4.2097 -4.2097 -3.7121 -3.7121 2.5212 2.5212 2.7160 2.7160 2.8099 2.8099 3.1398 3.1398 3.1646 3.1646 3.2800 3.2800 4.9291 4.9291 5.2035 5.2035 5.4084 5.4084 5.4988 5.4988 7.9000 7.9000 7.9036 7.9036 9.4764 9.4764 10.3562 10.3562 k = 0.6132 0.0328-0.3033 ( 5087 PWs) bands (ev): -20.6624 -20.6624 -20.6592 -20.6592 -8.2776 -8.2776 -8.0662 -8.0662 -7.3956 -7.3956 -7.0417 -7.0417 -5.7895 -5.7895 -5.4356 -5.4356 -5.3576 -5.3576 -5.1535 -5.1535 -4.1923 -4.1923 -3.7120 -3.7120 2.4878 2.4878 2.6868 2.6868 2.7661 2.7661 3.1437 3.1437 3.1745 3.1745 3.2703 3.2703 4.9526 4.9526 5.2079 5.2079 5.4211 5.4211 5.5117 5.5117 7.9409 7.9409 7.9574 7.9574 9.4856 9.4856 10.3535 10.3535 k = 0.6208 0.0180-0.3033 ( 5083 PWs) bands (ev): -20.6621 -20.6621 -20.6588 -20.6588 -8.2725 -8.2725 -8.0770 -8.0770 -7.3926 -7.3926 -7.0458 -7.0458 -5.7762 -5.7762 -5.4528 -5.4528 -5.3517 -5.3517 -5.1618 -5.1618 -4.1752 -4.1752 -3.7124 -3.7124 2.4539 2.4539 2.6564 2.6564 2.7227 2.7227 3.1389 3.1389 3.1891 3.1891 3.2646 3.2646 4.9755 4.9755 5.2109 5.2109 5.4320 5.4320 5.5259 5.5259 7.9834 7.9834 8.0134 8.0134 9.4993 9.4993 10.3495 10.3495 k = 0.6283 0.0032-0.3033 ( 5089 PWs) bands (ev): -20.6620 -20.6620 -20.6583 -20.6583 -8.2690 -8.2690 -8.0857 -8.0857 -7.3910 -7.3910 -7.0492 -7.0492 -5.7630 -5.7630 -5.4704 -5.4704 -5.3466 -5.3466 -5.1674 -5.1674 -4.1584 -4.1584 -3.7131 -3.7131 2.4197 2.4197 2.6246 2.6246 2.6800 2.6800 3.1296 3.1296 3.2036 3.2036 3.2634 3.2634 4.9974 4.9974 5.2128 5.2128 5.4408 5.4408 5.5414 5.5414 8.0284 8.0284 8.0704 8.0704 9.5175 9.5175 10.3444 10.3444 k = 0.6359-0.0117-0.3033 ( 5099 PWs) bands (ev): -20.6618 -20.6618 -20.6579 -20.6579 -8.2673 -8.2673 -8.0920 -8.0920 -7.3906 -7.3906 -7.0518 -7.0518 -5.7500 -5.7500 -5.4879 -5.4879 -5.3427 -5.3427 -5.1700 -5.1700 -4.1419 -4.1419 -3.7142 -3.7142 2.3850 2.3850 2.5918 2.5918 2.6385 2.6385 3.1175 3.1175 3.2158 3.2158 3.2670 3.2670 5.0179 5.0179 5.2138 5.2138 5.4473 5.4473 5.5579 5.5579 8.0757 8.0757 8.1280 8.1280 9.5403 9.5403 10.3382 10.3382 k = 0.6434-0.0265-0.3033 ( 5097 PWs) bands (ev): -20.6616 -20.6616 -20.6574 -20.6574 -8.2679 -8.2679 -8.0955 -8.0955 -7.3915 -7.3915 -7.0535 -7.0535 -5.7376 -5.7376 -5.5046 -5.5046 -5.3403 -5.3403 -5.1698 -5.1698 -4.1259 -4.1259 -3.7158 -3.7158 2.3500 2.3500 2.5579 2.5579 2.5984 2.5984 3.1038 3.1038 3.2252 3.2252 3.2747 3.2747 5.0368 5.0368 5.2142 5.2142 5.4516 5.4516 5.5753 5.5753 8.1251 8.1251 8.1860 8.1860 9.5677 9.5677 10.3312 10.3312 k = 0.6510-0.0413-0.3033 ( 5097 PWs) bands (ev): -20.6615 -20.6615 -20.6570 -20.6570 -8.2706 -8.2706 -8.0965 -8.0965 -7.3936 -7.3936 -7.0545 -7.0545 -5.7262 -5.7262 -5.5200 -5.5200 -5.3393 -5.3393 -5.1669 -5.1669 -4.1102 -4.1102 -3.7177 -3.7177 2.3144 2.3144 2.5230 2.5230 2.5602 2.5602 3.0893 3.0893 3.2320 3.2320 3.2851 3.2851 5.0536 5.0536 5.2141 5.2141 5.4540 5.4540 5.5933 5.5933 8.1763 8.1763 8.2443 8.2443 9.5995 9.5995 10.3235 10.3235 k = 0.6585-0.0561-0.3033 ( 5095 PWs) bands (ev): -20.6613 -20.6613 -20.6565 -20.6565 -8.2752 -8.2752 -8.0951 -8.0951 -7.3966 -7.3966 -7.0546 -7.0546 -5.7162 -5.7162 -5.5334 -5.5334 -5.3395 -5.3395 -5.1616 -5.1616 -4.0950 -4.0950 -3.7200 -3.7200 2.2783 2.2783 2.4873 2.4873 2.5243 2.5243 3.0748 3.0748 3.2373 3.2373 3.2965 3.2965 5.0681 5.0681 5.2138 5.2138 5.4547 5.4547 5.6115 5.6115 8.2292 8.2292 8.3026 8.3026 9.6357 9.6357 10.3152 10.3152 k = 0.6661-0.0709-0.3033 ( 5093 PWs) bands (ev): -20.6612 -20.6612 -20.6561 -20.6561 -8.2812 -8.2812 -8.0921 -8.0921 -7.4005 -7.4005 -7.0540 -7.0540 -5.7082 -5.7082 -5.5439 -5.5439 -5.3405 -5.3405 -5.1546 -5.1546 -4.0802 -4.0802 -3.7226 -3.7226 2.2414 2.2414 2.4507 2.4507 2.4913 2.4913 3.0607 3.0607 3.2417 3.2417 3.3076 3.3076 5.0800 5.0800 5.2135 5.2135 5.4542 5.4542 5.6297 5.6297 8.2835 8.2835 8.3609 8.3609 9.6761 9.6761 10.3066 10.3066 k = 0.3339-0.6551 0.0000 ( 5093 PWs) bands (ev): -20.6612 -20.6612 -20.6561 -20.6561 -8.2812 -8.2812 -8.0921 -8.0921 -7.4005 -7.4005 -7.0540 -7.0540 -5.7082 -5.7082 -5.5439 -5.5439 -5.3405 -5.3405 -5.1546 -5.1546 -4.0802 -4.0802 -3.7226 -3.7226 2.2414 2.2414 2.4507 2.4507 2.4913 2.4913 3.0607 3.0607 3.2417 3.2417 3.3076 3.3076 5.0800 5.0800 5.2135 5.2135 5.4542 5.4542 5.6297 5.6297 8.2835 8.2835 8.3609 8.3609 9.6761 9.6761 10.3066 10.3066 k = 0.3265-0.6405 0.0000 ( 5095 PWs) bands (ev): -20.6612 -20.6612 -20.6557 -20.6557 -8.2881 -8.2881 -8.0880 -8.0880 -7.4049 -7.4049 -7.0529 -7.0529 -5.7029 -5.7029 -5.5509 -5.5509 -5.3420 -5.3420 -5.1464 -5.1464 -4.0661 -4.0661 -3.7254 -3.7254 2.2043 2.2043 2.4139 2.4139 2.4621 2.4621 3.0476 3.0476 3.2453 3.2453 3.3174 3.3174 5.0889 5.0889 5.2132 5.2132 5.4527 5.4527 5.6473 5.6473 8.3381 8.3381 8.4182 8.4182 9.7199 9.7199 10.2981 10.2981 k = 0.3191-0.6260 0.0000 ( 5097 PWs) bands (ev): -20.6611 -20.6611 -20.6553 -20.6553 -8.2955 -8.2955 -8.0833 -8.0833 -7.4096 -7.4096 -7.0512 -7.0512 -5.7003 -5.7003 -5.5540 -5.5540 -5.3437 -5.3437 -5.1374 -5.1374 -4.0524 -4.0524 -3.7284 -3.7284 2.1662 2.1662 2.3762 2.3762 2.4364 2.4364 3.0354 3.0354 3.2483 3.2483 3.3258 3.3258 5.0951 5.0951 5.2131 5.2131 5.4507 5.4507 5.6643 5.6643 8.3937 8.3937 8.4754 8.4754 9.7672 9.7672 10.2896 10.2896 k = 0.3117-0.6114 0.0000 ( 5099 PWs) bands (ev): -20.6611 -20.6611 -20.6550 -20.6550 -8.3031 -8.3031 -8.0787 -8.0787 -7.4144 -7.4144 -7.0493 -7.0493 -5.7005 -5.7005 -5.5533 -5.5533 -5.3454 -5.3454 -5.1280 -5.1280 -4.0390 -4.0390 -3.7316 -3.7316 2.1273 2.1273 2.3378 2.3378 2.4145 2.4145 3.0245 3.0245 3.2507 3.2507 3.3323 3.3323 5.0986 5.0986 5.2133 5.2133 5.4481 5.4481 5.6807 5.6807 8.4502 8.4502 8.5325 8.5325 9.8180 9.8180 10.2815 10.2815 k = 0.3043-0.5969 0.0000 ( 5095 PWs) bands (ev): -20.6611 -20.6611 -20.6546 -20.6546 -8.3105 -8.3105 -8.0744 -8.0744 -7.4188 -7.4188 -7.0471 -7.0471 -5.7027 -5.7027 -5.5493 -5.5493 -5.3468 -5.3468 -5.1185 -5.1185 -4.0261 -4.0261 -3.7348 -3.7348 2.0876 2.0876 2.2986 2.2986 2.3963 2.3963 3.0150 3.0150 3.2522 3.2522 3.3368 3.3368 5.0993 5.0993 5.2138 5.2138 5.4452 5.4452 5.6962 5.6962 8.5074 8.5074 8.5895 8.5895 9.8718 9.8718 10.2739 10.2739 k = 0.2968-0.5823 0.0000 ( 5099 PWs) bands (ev): -20.6612 -20.6612 -20.6543 -20.6543 -8.3176 -8.3176 -8.0710 -8.0710 -7.4228 -7.4228 -7.0449 -7.0449 -5.7062 -5.7062 -5.5427 -5.5427 -5.3478 -5.3478 -5.1093 -5.1093 -4.0134 -4.0134 -3.7379 -3.7379 2.0473 2.0473 2.2589 2.2589 2.3820 2.3820 3.0069 3.0069 3.2527 3.2527 3.3391 3.3391 5.0976 5.0976 5.2148 5.2148 5.4420 5.4420 5.7109 5.7109 8.5653 8.5653 8.6465 8.6465 9.9282 9.9282 10.2670 10.2670 k = 0.2894-0.5677 0.0000 ( 5087 PWs) bands (ev): -20.6613 -20.6613 -20.6540 -20.6540 -8.3241 -8.3241 -8.0687 -8.0687 -7.4260 -7.4260 -7.0427 -7.0427 -5.7100 -5.7100 -5.5344 -5.5344 -5.3483 -5.3483 -5.1004 -5.1004 -4.0011 -4.0011 -3.7411 -3.7411 2.0065 2.0065 2.2187 2.2187 2.3714 2.3714 3.0004 3.0004 3.2519 3.2519 3.3394 3.3394 5.0938 5.0938 5.2164 5.2164 5.4383 5.4383 5.7245 5.7245 8.6237 8.6237 8.7035 8.7035 9.9866 9.9866 10.2609 10.2609 k = 0.2820-0.5532 0.0000 ( 5087 PWs) bands (ev): -20.6615 -20.6615 -20.6537 -20.6537 -8.3300 -8.3300 -8.0678 -8.0678 -7.4282 -7.4282 -7.0406 -7.0406 -5.7135 -5.7135 -5.5251 -5.5251 -5.3481 -5.3481 -5.0921 -5.0921 -3.9890 -3.9890 -3.7440 -3.7440 1.9655 1.9655 2.1782 2.1782 2.3645 2.3645 2.9956 2.9956 3.2495 3.2495 3.3377 3.3377 5.0881 5.0881 5.2186 5.2186 5.4342 5.4342 5.7372 5.7372 8.6827 8.6827 8.7607 8.7607 10.0462 10.0462 10.2560 10.2560 k = 0.2746-0.5386 0.0000 ( 5085 PWs) bands (ev): -20.6616 -20.6616 -20.6535 -20.6535 -8.3351 -8.3351 -8.0684 -8.0684 -7.4292 -7.4292 -7.0387 -7.0387 -5.7161 -5.7161 -5.5152 -5.5152 -5.3473 -5.3473 -5.0846 -5.0846 -3.9772 -3.9772 -3.7467 -3.7467 1.9244 1.9244 2.1373 2.1373 2.3611 2.3611 2.9925 2.9925 3.2451 3.2451 3.3342 3.3342 5.0810 5.0810 5.2216 5.2216 5.4295 5.4295 5.7487 5.7487 8.7420 8.7420 8.8181 8.8181 10.1058 10.1058 10.2526 10.2526 k = 0.2672-0.5241-0.0000 ( 5075 PWs) bands (ev): -20.6619 -20.6619 -20.6533 -20.6533 -8.3394 -8.3394 -8.0708 -8.0708 -7.4289 -7.4289 -7.0372 -7.0372 -5.7175 -5.7175 -5.5051 -5.5051 -5.3458 -5.3458 -5.0781 -5.0781 -3.9656 -3.9656 -3.7492 -3.7492 1.8834 1.8834 2.0962 2.0962 2.3611 2.3611 2.9911 2.9911 3.2383 3.2383 3.3293 3.3293 5.0728 5.0728 5.2254 5.2254 5.4240 5.4240 5.7592 5.7592 8.8018 8.8018 8.8757 8.8757 10.1627 10.1627 10.2523 10.2523 k = 0.2597-0.5095-0.0000 ( 5073 PWs) bands (ev): -20.6621 -20.6621 -20.6532 -20.6532 -8.3428 -8.3428 -8.0749 -8.0749 -7.4272 -7.4272 -7.0360 -7.0360 -5.7174 -5.7174 -5.4951 -5.4951 -5.3435 -5.3435 -5.0725 -5.0725 -3.9542 -3.9542 -3.7513 -3.7513 1.8427 1.8427 2.0551 2.0551 2.3645 2.3645 2.9915 2.9915 3.2285 3.2285 3.3233 3.3233 5.0639 5.0639 5.2302 5.2302 5.4177 5.4177 5.7685 5.7685 8.8618 8.8618 8.9336 8.9336 10.2075 10.2075 10.2621 10.2621 k = 0.2523-0.4950-0.0000 ( 5063 PWs) bands (ev): -20.6624 -20.6624 -20.6530 -20.6530 -8.3452 -8.3452 -8.0809 -8.0809 -7.4240 -7.4240 -7.0353 -7.0353 -5.7157 -5.7157 -5.4852 -5.4852 -5.3404 -5.3404 -5.0680 -5.0680 -3.9431 -3.9431 -3.7529 -3.7529 1.8024 1.8024 2.0139 2.0139 2.3711 2.3711 2.9936 2.9936 3.2154 3.2154 3.3167 3.3167 5.0547 5.0547 5.2360 5.2360 5.4104 5.4104 5.7767 5.7767 8.9220 8.9220 8.9919 8.9919 10.2239 10.2239 10.2921 10.2921 k = 0.2449-0.4804 0.0000 ( 5067 PWs) bands (ev): -20.6628 -20.6628 -20.6529 -20.6529 -8.3467 -8.3467 -8.0886 -8.0886 -7.4195 -7.4195 -7.0350 -7.0350 -5.7123 -5.7123 -5.4758 -5.4758 -5.3367 -5.3367 -5.0646 -5.0646 -3.9321 -3.9321 -3.7540 -3.7540 1.7627 1.7627 1.9729 1.9729 2.3808 2.3808 2.9975 2.9975 3.1986 3.1986 3.3097 3.3097 5.0456 5.0456 5.2429 5.2429 5.4021 5.4021 5.7838 5.7838 8.9823 8.9823 9.0506 9.0506 10.2256 10.2256 10.3055 10.3055 k = 0.2375-0.4658 0.0000 ( 5061 PWs) bands (ev): -20.6632 -20.6632 -20.6529 -20.6529 -8.3473 -8.3473 -8.0979 -8.0979 -7.4135 -7.4135 -7.0352 -7.0352 -5.7071 -5.7071 -5.4666 -5.4666 -5.3322 -5.3322 -5.0624 -5.0624 -3.9214 -3.9214 -3.7547 -3.7547 1.7237 1.7237 1.9320 1.9320 2.3935 2.3935 3.0031 3.0031 3.1781 3.1781 3.3024 3.3024 5.0367 5.0367 5.2509 5.2509 5.3928 5.3928 5.7898 5.7898 9.0427 9.0427 9.1097 9.1097 10.2234 10.2234 10.3004 10.3004 k = 0.2300-0.4513-0.0000 ( 5065 PWs) bands (ev): -20.6636 -20.6636 -20.6528 -20.6528 -8.3470 -8.3470 -8.1087 -8.1087 -7.4064 -7.4064 -7.0359 -7.0359 -5.7002 -5.7002 -5.4579 -5.4579 -5.3272 -5.3272 -5.0614 -5.0614 -3.9108 -3.9108 -3.7547 -3.7547 1.6854 1.6854 1.8913 1.8913 2.4092 2.4092 3.0104 3.0104 3.1541 3.1541 3.2949 3.2949 5.0283 5.0283 5.2601 5.2601 5.3824 5.3824 5.7947 5.7947 9.1029 9.1029 9.1693 9.1693 10.2192 10.2192 10.2915 10.2915 k = 0.2226-0.4367 0.0000 ( 5065 PWs) bands (ev): -20.6641 -20.6641 -20.6528 -20.6528 -8.3458 -8.3458 -8.1207 -8.1207 -7.3982 -7.3982 -7.0372 -7.0372 -5.6917 -5.6917 -5.4495 -5.4495 -5.3216 -5.3216 -5.0615 -5.0615 -3.9005 -3.9005 -3.7542 -3.7542 1.6479 1.6479 1.8511 1.8511 2.4276 2.4276 3.0192 3.0192 3.1268 3.1268 3.2871 3.2871 5.0208 5.0208 5.2703 5.2703 5.3712 5.3712 5.7985 5.7985 9.1628 9.1628 9.2292 9.2292 10.2128 10.2128 10.2808 10.2808 k = 0.2152-0.4222 0.0000 ( 5067 PWs) bands (ev): -20.6646 -20.6646 -20.6529 -20.6529 -8.3437 -8.3437 -8.1338 -8.1338 -7.3890 -7.3890 -7.0390 -7.0390 -5.6814 -5.6814 -5.4414 -5.4414 -5.3157 -5.3157 -5.0628 -5.0628 -3.8904 -3.8904 -3.7531 -3.7531 1.6114 1.6114 1.8112 1.8112 2.4487 2.4487 3.0293 3.0293 3.0968 3.0968 3.2788 3.2788 5.0141 5.0141 5.2814 5.2814 5.3593 5.3593 5.8012 5.8012 9.2224 9.2224 9.2894 9.2894 10.2037 10.2037 10.2685 10.2685 k = 0.2078-0.4076 0.0000 ( 5061 PWs) bands (ev): -20.6651 -20.6651 -20.6530 -20.6530 -8.3410 -8.3410 -8.1477 -8.1477 -7.3791 -7.3791 -7.0413 -7.0413 -5.6697 -5.6697 -5.4335 -5.4335 -5.3094 -5.3094 -5.0650 -5.0650 -3.8805 -3.8805 -3.7514 -3.7514 1.5758 1.5758 1.7719 1.7719 2.4724 2.4724 3.0380 3.0380 3.0669 3.0669 3.2701 3.2701 5.0085 5.0085 5.2925 5.2925 5.3475 5.3475 5.8027 5.8027 9.2813 9.2813 9.3498 9.3498 10.1909 10.1909 10.2542 10.2542 k = 0.2004-0.3931-0.0000 ( 5065 PWs) bands (ev): -20.6657 -20.6657 -20.6531 -20.6531 -8.3377 -8.3377 -8.1621 -8.1621 -7.3686 -7.3686 -7.0441 -7.0441 -5.6565 -5.6565 -5.4258 -5.4258 -5.3029 -5.3029 -5.0683 -5.0683 -3.8710 -3.8710 -3.7492 -3.7492 1.5413 1.5413 1.7332 1.7332 2.4986 2.4986 3.0215 3.0215 3.0613 3.0613 3.2608 3.2608 5.0041 5.0041 5.3011 5.3011 5.3388 5.3388 5.8033 5.8033 9.3393 9.3393 9.4102 9.4102 10.1731 10.1731 10.2375 10.2375 k = 0.1929-0.3785-0.0000 ( 5069 PWs) bands (ev): -20.6663 -20.6663 -20.6532 -20.6532 -8.3340 -8.3340 -8.1765 -8.1765 -7.3577 -7.3577 -7.0473 -7.0473 -5.6421 -5.6421 -5.4182 -5.4182 -5.2963 -5.2963 -5.0723 -5.0723 -3.8617 -3.8617 -3.7465 -3.7465 1.5079 1.5079 1.6952 1.6952 2.5270 2.5270 2.9854 2.9854 3.0745 3.0745 3.2510 3.2510 5.0007 5.0007 5.2998 5.2998 5.3402 5.3402 5.8027 5.8027 9.3963 9.3963 9.4704 9.4704 10.1473 10.1473 10.2181 10.2181 k = 0.1855-0.3639-0.0000 ( 5067 PWs) bands (ev): -20.6669 -20.6669 -20.6533 -20.6533 -8.3304 -8.3304 -8.1905 -8.1905 -7.3466 -7.3466 -7.0509 -7.0509 -5.6267 -5.6267 -5.4106 -5.4106 -5.2897 -5.2897 -5.0771 -5.0771 -3.8527 -3.8527 -3.7432 -3.7432 1.4756 1.4756 1.6579 1.6579 2.5576 2.5576 2.9458 2.9458 3.0906 3.0906 3.2406 3.2406 4.9986 4.9986 5.2886 5.2886 5.3519 5.3519 5.8011 5.8011 9.4518 9.4518 9.5302 9.5302 10.1078 10.1078 10.1922 10.1922 k = 0.1781-0.3494 0.0000 ( 5067 PWs) bands (ev): -20.6676 -20.6676 -20.6535 -20.6535 -8.3274 -8.3274 -8.2033 -8.2033 -7.3354 -7.3354 -7.0548 -7.0548 -5.6103 -5.6103 -5.4030 -5.4030 -5.2831 -5.2831 -5.0824 -5.0824 -3.8441 -3.8441 -3.7396 -3.7396 1.4445 1.4445 1.6216 1.6216 2.5902 2.5902 2.9045 2.9045 3.1082 3.1082 3.2298 3.2298 4.9974 4.9974 5.2736 5.2736 5.3679 5.3679 5.7985 5.7985 9.5055 9.5055 9.5893 9.5893 10.0471 10.0471 10.1492 10.1492 k = 0.1707-0.3348-0.0000 ( 5061 PWs) bands (ev): -20.6682 -20.6682 -20.6537 -20.6537 -8.3258 -8.3258 -8.2142 -8.2142 -7.3245 -7.3245 -7.0589 -7.0589 -5.5932 -5.5932 -5.3954 -5.3954 -5.2767 -5.2767 -5.0880 -5.0880 -3.8358 -3.8358 -3.7357 -3.7357 1.4146 1.4146 1.5861 1.5861 2.6246 2.6246 2.8619 2.8619 3.1270 3.1270 3.2187 3.2187 4.9973 4.9973 5.2573 5.2573 5.3858 5.3858 5.7949 5.7949 9.5567 9.5567 9.6473 9.6473 9.9684 9.9684 10.1023 10.1023 k = 0.1633-0.3203 0.0000 ( 5055 PWs) bands (ev): -20.6689 -20.6689 -20.6540 -20.6540 -8.3265 -8.3265 -8.2219 -8.2219 -7.3139 -7.3139 -7.0632 -7.0632 -5.5757 -5.5757 -5.3878 -5.3878 -5.2705 -5.2705 -5.0937 -5.0937 -3.8279 -3.8279 -3.7315 -3.7315 1.3859 1.3859 1.5516 1.5516 2.6605 2.6605 2.8187 2.8187 3.1462 3.1462 3.2079 3.2079 4.9979 4.9979 5.2405 5.2405 5.4048 5.4048 5.7903 5.7903 9.6042 9.6042 9.7036 9.7036 9.8826 9.8826 10.0562 10.0562 k = 0.1558-0.3057 0.0000 ( 5059 PWs) bands (ev): -20.6696 -20.6696 -20.6542 -20.6542 -8.3306 -8.3306 -8.2255 -8.2255 -7.3038 -7.3038 -7.0674 -7.0674 -5.5579 -5.5579 -5.3802 -5.3802 -5.2647 -5.2647 -5.0991 -5.0991 -3.8204 -3.8204 -3.7270 -3.7270 1.3585 1.3585 1.5182 1.5182 2.6967 2.6967 2.7760 2.7760 3.1637 3.1637 3.1995 3.1995 4.9990 4.9990 5.2237 5.2237 5.4246 5.4246 5.7848 5.7848 9.6443 9.6443 9.7567 9.7567 9.7992 9.7992 10.0094 10.0094 k = 0.1484-0.2912-0.0000 ( 5059 PWs) bands (ev): -20.6703 -20.6703 -20.6545 -20.6545 -8.3382 -8.3382 -8.2248 -8.2248 -7.2946 -7.2946 -7.0715 -7.0715 -5.5401 -5.5401 -5.3726 -5.3726 -5.2594 -5.2594 -5.1040 -5.1040 -3.8134 -3.8134 -3.7225 -3.7225 1.3323 1.3323 1.4860 1.4860 2.7166 2.7166 2.7506 2.7506 3.1698 3.1698 3.2031 3.2031 5.0003 5.0003 5.2071 5.2071 5.4449 5.4449 5.7784 5.7784 9.6550 9.6550 9.7361 9.7361 9.8105 9.8105 9.9638 9.9638 k = 0.1410-0.2766-0.0000 ( 5063 PWs) bands (ev): -20.6710 -20.6710 -20.6548 -20.6548 -8.3485 -8.3485 -8.2204 -8.2204 -7.2863 -7.2863 -7.0753 -7.0753 -5.5224 -5.5224 -5.3653 -5.3653 -5.2548 -5.2548 -5.1078 -5.1078 -3.8069 -3.8069 -3.7178 -3.7178 1.3073 1.3073 1.4549 1.4549 2.6806 2.6806 2.7825 2.7825 3.1619 3.1619 3.2214 3.2214 5.0014 5.0014 5.1914 5.1914 5.4654 5.4654 5.7714 5.7714 9.5953 9.5953 9.7367 9.7367 9.8573 9.8573 9.9257 9.9257 k = 0.1336-0.2620-0.0000 ( 5061 PWs) bands (ev): -20.6717 -20.6717 -20.6550 -20.6550 -8.3608 -8.3608 -8.2131 -8.2131 -7.2792 -7.2792 -7.0785 -7.0785 -5.5052 -5.5052 -5.3581 -5.3581 -5.2512 -5.2512 -5.1101 -5.1101 -3.8009 -3.8009 -3.7131 -3.7131 1.2837 1.2837 1.4251 1.4251 2.6374 2.6374 2.8227 2.8227 3.1503 3.1503 3.2439 3.2439 5.0018 5.0018 5.1768 5.1768 5.4858 5.4858 5.7639 5.7639 9.5157 9.5157 9.7371 9.7371 9.8920 9.8920 9.9142 9.9142 k = 0.1262-0.2475-0.0000 ( 5063 PWs) bands (ev): -20.6724 -20.6724 -20.6553 -20.6553 -8.3740 -8.3740 -8.2040 -8.2040 -7.2734 -7.2734 -7.0810 -7.0810 -5.4885 -5.4885 -5.3514 -5.3514 -5.2489 -5.2489 -5.1104 -5.1104 -3.7956 -3.7956 -3.7083 -3.7083 1.2613 1.2613 1.3967 1.3967 2.5940 2.5940 2.8644 2.8644 3.1379 3.1379 3.2677 3.2677 5.0011 5.0011 5.1639 5.1639 5.5057 5.5057 5.7560 5.7560 9.4361 9.4361 9.7116 9.7116 9.9052 9.9052 9.9444 9.9444 k = 0.1187-0.2329 0.0000 ( 5069 PWs) bands (ev): -20.6731 -20.6731 -20.6556 -20.6556 -8.3877 -8.3877 -8.1934 -8.1934 -7.2693 -7.2693 -7.0827 -7.0827 -5.4724 -5.4724 -5.3451 -5.3451 -5.2482 -5.2482 -5.1082 -5.1082 -3.7908 -3.7908 -3.7036 -3.7036 1.2402 1.2402 1.3696 1.3696 2.5513 2.5513 2.9067 2.9067 3.1255 3.1255 3.2921 3.2921 4.9986 4.9986 5.1531 5.1531 5.5246 5.5246 5.7482 5.7482 9.3592 9.3592 9.6692 9.6692 9.9270 9.9270 9.9726 9.9726 k = 0.1113-0.2184 0.0000 ( 5071 PWs) bands (ev): -20.6737 -20.6737 -20.6559 -20.6559 -8.4015 -8.4015 -8.1820 -8.1820 -7.2668 -7.2668 -7.0835 -7.0835 -5.4572 -5.4572 -5.3394 -5.3394 -5.2490 -5.2490 -5.1036 -5.1036 -3.7868 -3.7868 -3.6990 -3.6990 1.2205 1.2205 1.3439 1.3439 2.5098 2.5098 2.9490 2.9490 3.1133 3.1133 3.3169 3.3169 4.9942 4.9942 5.1448 5.1448 5.5421 5.5421 5.7410 5.7410 9.2860 9.2860 9.6207 9.6207 9.9521 9.9521 9.9862 9.9862 k = 0.1039-0.2038-0.0000 ( 5065 PWs) bands (ev): -20.6744 -20.6744 -20.6562 -20.6562 -8.4150 -8.4150 -8.1699 -8.1699 -7.2660 -7.2660 -7.0832 -7.0832 -5.4429 -5.4429 -5.3343 -5.3343 -5.2514 -5.2514 -5.0964 -5.0964 -3.7833 -3.7833 -3.6944 -3.6944 1.2020 1.2020 1.3198 1.3198 2.4696 2.4696 2.9907 2.9907 3.1020 3.1020 3.3417 3.3417 4.9876 4.9876 5.1388 5.1388 5.5573 5.5573 5.7349 5.7349 9.2170 9.2170 9.5716 9.5716 9.9708 9.9708 9.9919 9.9919 k = 0.0965-0.1892 0.0000 ( 5063 PWs) bands (ev): -20.6750 -20.6750 -20.6565 -20.6565 -8.4281 -8.4281 -8.1575 -8.1575 -7.2667 -7.2667 -7.0819 -7.0819 -5.4294 -5.4294 -5.3300 -5.3300 -5.2548 -5.2548 -5.0871 -5.0871 -3.7806 -3.7806 -3.6899 -3.6899 1.1847 1.1847 1.2971 1.2971 2.4310 2.4310 3.0298 3.0298 3.0932 3.0932 3.3664 3.3664 4.9791 4.9791 5.1349 5.1349 5.5695 5.5695 5.7308 5.7308 9.1523 9.1523 9.5245 9.5245 9.9711 9.9711 10.0101 10.0101 k = 0.0891-0.1747-0.0000 ( 5063 PWs) bands (ev): -20.6756 -20.6756 -20.6568 -20.6568 -8.4405 -8.4405 -8.1450 -8.1450 -7.2689 -7.2689 -7.0799 -7.0799 -5.4169 -5.4169 -5.3264 -5.3264 -5.2591 -5.2591 -5.0762 -5.0762 -3.7785 -3.7785 -3.6856 -3.6856 1.1688 1.1688 1.2760 1.2760 2.3943 2.3943 3.0560 3.0560 3.0971 3.0971 3.3908 3.3908 4.9693 4.9693 5.1326 5.1326 5.5778 5.5778 5.7294 5.7294 9.0923 9.0923 9.4809 9.4809 9.9666 9.9666 10.0307 10.0307 k = 0.0816-0.1601-0.0000 ( 5057 PWs) bands (ev): -20.6761 -20.6761 -20.6571 -20.6571 -8.4523 -8.4523 -8.1325 -8.1325 -7.2723 -7.2723 -7.0772 -7.0772 -5.4053 -5.4053 -5.3236 -5.3236 -5.2638 -5.2638 -5.0641 -5.0641 -3.7770 -3.7770 -3.6815 -3.6815 1.1541 1.1541 1.2565 1.2565 2.3597 2.3597 3.0561 3.0561 3.1266 3.1266 3.4145 3.4145 4.9585 4.9585 5.1314 5.1314 5.5818 5.5818 5.7313 5.7313 9.0369 9.0369 9.4420 9.4420 9.9633 9.9633 10.0484 10.0484 k = 0.0742-0.1456-0.0000 ( 5065 PWs) bands (ev): -20.6767 -20.6767 -20.6573 -20.6573 -8.4632 -8.4632 -8.1203 -8.1203 -7.2766 -7.2766 -7.0740 -7.0740 -5.3946 -5.3946 -5.3216 -5.3216 -5.2685 -5.2685 -5.0514 -5.0514 -3.7761 -3.7761 -3.6775 -3.6775 1.1408 1.1408 1.2387 1.2387 2.3275 2.3275 3.0482 3.0482 3.1632 3.1632 3.4374 3.4374 4.9473 4.9473 5.1308 5.1308 5.5816 5.5816 5.7364 5.7364 8.9864 8.9864 9.4085 9.4085 9.9622 9.9622 10.0603 10.0603 k = 0.0668-0.1310-0.0000 ( 5063 PWs) bands (ev): -20.6771 -20.6771 -20.6576 -20.6576 -8.4733 -8.4733 -8.1085 -8.1085 -7.2815 -7.2815 -7.0705 -7.0705 -5.3849 -5.3849 -5.3205 -5.3205 -5.2729 -5.2729 -5.0385 -5.0385 -3.7756 -3.7756 -3.6739 -3.6739 1.1287 1.1287 1.2225 1.2225 2.2977 2.2977 3.0393 3.0393 3.1995 3.1995 3.4592 3.4592 4.9362 4.9362 5.1304 5.1304 5.5781 5.5781 5.7438 5.7438 8.9407 8.9407 9.3811 9.3811 9.9635 9.9635 10.0596 10.0596 k = 0.0594-0.1165 0.0000 ( 5063 PWs) bands (ev): -20.6776 -20.6776 -20.6578 -20.6578 -8.4825 -8.4825 -8.0974 -8.0974 -7.2868 -7.2868 -7.0670 -7.0670 -5.3761 -5.3761 -5.3201 -5.3201 -5.2768 -5.2768 -5.0258 -5.0258 -3.7755 -3.7755 -3.6705 -3.6705 1.1178 1.1178 1.2080 1.2080 2.2706 2.2706 3.0308 3.0308 3.2340 3.2340 3.4798 3.4798 4.9256 4.9256 5.1299 5.1299 5.5723 5.5723 5.7526 5.7526 8.8998 8.8998 9.3603 9.3603 9.9669 9.9669 10.0285 10.0285 k = 0.0519-0.1019-0.0000 ( 5059 PWs) bands (ev): -20.6780 -20.6780 -20.6580 -20.6580 -8.4907 -8.4907 -8.0870 -8.0870 -7.2921 -7.2921 -7.0636 -7.0636 -5.3682 -5.3682 -5.3206 -5.3206 -5.2801 -5.2801 -5.0137 -5.0137 -3.7757 -3.7757 -3.6675 -3.6675 1.1083 1.1083 1.1951 1.1951 2.2463 2.2463 3.0229 3.0229 3.2660 3.2660 3.4988 3.4988 4.9156 4.9156 5.1292 5.1292 5.5652 5.5652 5.7618 5.7618 8.8639 8.8639 9.3464 9.3464 9.9580 9.9580 9.9815 9.9815 k = 0.0445-0.0873 0.0000 ( 5049 PWs) bands (ev): -20.6783 -20.6783 -20.6582 -20.6582 -8.4979 -8.4979 -8.0776 -8.0776 -7.2973 -7.2973 -7.0603 -7.0603 -5.3612 -5.3612 -5.3216 -5.3216 -5.2827 -5.2827 -5.0025 -5.0025 -3.7761 -3.7761 -3.6648 -3.6648 1.1000 1.1000 1.1840 1.1840 2.2249 2.2249 3.0158 3.0158 3.2948 3.2948 3.5159 3.5159 4.9066 4.9066 5.1283 5.1283 5.5577 5.5577 5.7708 5.7708 8.8328 8.8328 9.3394 9.3394 9.8919 9.8919 9.9851 9.9851 k = 0.0371-0.0728 0.0000 ( 5051 PWs) bands (ev): -20.6786 -20.6786 -20.6583 -20.6583 -8.5040 -8.5040 -8.0693 -8.0693 -7.3021 -7.3021 -7.0574 -7.0574 -5.3551 -5.3551 -5.3231 -5.3231 -5.2846 -5.2846 -4.9926 -4.9926 -3.7767 -3.7767 -3.6625 -3.6625 1.0930 1.0930 1.1746 1.1746 2.2067 2.2067 3.0097 3.0097 3.3200 3.3200 3.5310 3.5310 4.8987 4.8987 5.1272 5.1272 5.5504 5.5504 5.7791 5.7791 8.8065 8.8065 9.3393 9.3393 9.8222 9.8222 9.9948 9.9948 k = 0.0297-0.0582-0.0000 ( 5055 PWs) bands (ev): -20.6789 -20.6789 -20.6584 -20.6584 -8.5090 -8.5090 -8.0623 -8.0623 -7.3063 -7.3063 -7.0550 -7.0550 -5.3499 -5.3499 -5.3249 -5.3249 -5.2859 -5.2859 -4.9841 -4.9841 -3.7772 -3.7772 -3.6605 -3.6605 1.0872 1.0872 1.1669 1.1669 2.1916 2.1916 3.0046 3.0046 3.3413 3.3413 3.5438 3.5438 4.8921 4.8921 5.1261 5.1261 5.5439 5.5439 5.7863 5.7863 8.7850 8.7850 9.3456 9.3456 9.7568 9.7568 10.0055 10.0055 k = 0.0223-0.0437-0.0000 ( 5047 PWs) bands (ev): -20.6791 -20.6791 -20.6585 -20.6585 -8.5130 -8.5130 -8.0567 -8.0567 -7.3098 -7.3098 -7.0530 -7.0530 -5.3456 -5.3456 -5.3268 -5.3268 -5.2868 -5.2868 -4.9773 -4.9773 -3.7777 -3.7777 -3.6590 -3.6590 1.0827 1.0827 1.1609 1.1609 2.1798 2.1798 3.0006 3.0006 3.3582 3.3582 3.5541 3.5541 4.8868 4.8868 5.1250 5.1250 5.5384 5.5384 5.7921 5.7921 8.7684 8.7684 9.3572 9.3572 9.6983 9.6983 10.0159 10.0159 k = 0.0148-0.0291-0.0000 ( 5043 PWs) bands (ev): -20.6792 -20.6792 -20.6586 -20.6586 -8.5158 -8.5158 -8.0526 -8.0526 -7.3123 -7.3123 -7.0515 -7.0515 -5.3421 -5.3421 -5.3286 -5.3286 -5.2874 -5.2874 -4.9724 -4.9724 -3.7782 -3.7782 -3.6580 -3.6580 1.0795 1.0795 1.1566 1.1566 2.1713 2.1713 2.9977 2.9977 3.3704 3.3704 3.5616 3.5616 4.8830 4.8830 5.1241 5.1241 5.5343 5.5343 5.7963 5.7963 8.7565 8.7565 9.3718 9.3718 9.6497 9.6497 10.0248 10.0248 k = 0.0074-0.0146-0.0000 ( 5045 PWs) bands (ev): -20.6793 -20.6793 -20.6587 -20.6587 -8.5175 -8.5175 -8.0501 -8.0501 -7.3139 -7.3139 -7.0506 -7.0506 -5.3398 -5.3398 -5.3300 -5.3300 -5.2878 -5.2878 -4.9693 -4.9693 -3.7784 -3.7784 -3.6573 -3.6573 1.0776 1.0776 1.1540 1.1540 2.1662 2.1662 2.9959 2.9959 3.3779 3.3779 3.5661 3.5661 4.8807 4.8807 5.1235 5.1235 5.5318 5.5318 5.7989 5.7989 8.7493 8.7493 9.3852 9.3852 9.6158 9.6158 10.0308 10.0308 k = 0.0000 0.0000 0.0000 ( 5043 PWs) bands (ev): -20.6793 -20.6793 -20.6587 -20.6587 -8.5181 -8.5181 -8.0493 -8.0493 -7.3145 -7.3145 -7.0503 -7.0503 -5.3389 -5.3389 -5.3306 -5.3306 -5.2879 -5.2879 -4.9683 -4.9683 -3.7785 -3.7785 -3.6571 -3.6571 1.0770 1.0770 1.1532 1.1532 2.1645 2.1645 2.9953 2.9953 3.3804 3.3804 3.5677 3.5677 4.8799 4.8799 5.1233 5.1233 5.5309 5.5309 5.7998 5.7998 8.7470 8.7470 9.3909 9.3909 9.6032 9.6032 10.0330 10.0330 k = 0.0000 0.0000 0.0000 ( 5043 PWs) bands (ev): -20.6793 -20.6793 -20.6587 -20.6587 -8.5181 -8.5181 -8.0493 -8.0493 -7.3145 -7.3145 -7.0503 -7.0503 -5.3389 -5.3389 -5.3306 -5.3306 -5.2879 -5.2879 -4.9683 -4.9683 -3.7785 -3.7785 -3.6571 -3.6571 1.0770 1.0770 1.1532 1.1532 2.1645 2.1645 2.9953 2.9953 3.3804 3.3804 3.5677 3.5677 4.8799 4.8799 5.1233 5.1233 5.5309 5.5309 5.7998 5.7998 8.7470 8.7470 9.3909 9.3909 9.6032 9.6032 10.0330 10.0330 k = 0.0128-0.0093-0.0039 ( 5046 PWs) bands (ev): -20.6793 -20.6793 -20.6587 -20.6587 -8.5175 -8.5175 -8.0501 -8.0501 -7.3139 -7.3139 -7.0507 -7.0507 -5.3400 -5.3400 -5.3297 -5.3297 -5.2878 -5.2878 -4.9693 -4.9693 -3.7784 -3.7784 -3.6576 -3.6576 1.0780 1.0780 1.1544 1.1544 2.1661 2.1661 2.9958 2.9958 3.3784 3.3784 3.5662 3.5662 4.8806 4.8806 5.1236 5.1236 5.5314 5.5314 5.7989 5.7989 8.7491 8.7491 9.3873 9.3873 9.6115 9.6115 10.0225 10.0225 k = 0.0256-0.0186-0.0078 ( 5045 PWs) bands (ev): -20.6792 -20.6792 -20.6586 -20.6586 -8.5157 -8.5157 -8.0525 -8.0525 -7.3122 -7.3122 -7.0516 -7.0516 -5.3429 -5.3429 -5.3279 -5.3279 -5.2875 -5.2875 -4.9721 -4.9721 -3.7782 -3.7782 -3.6589 -3.6589 1.0810 1.0810 1.1584 1.1584 2.1711 2.1711 2.9974 2.9974 3.3724 3.3724 3.5619 3.5619 4.8827 4.8827 5.1246 5.1246 5.5326 5.5326 5.7964 5.7964 8.7555 8.7555 9.3782 9.3782 9.6340 9.6340 9.9992 9.9992 k = 0.0385-0.0279-0.0117 ( 5049 PWs) bands (ev): -20.6791 -20.6791 -20.6586 -20.6586 -8.5128 -8.5128 -8.0564 -8.0564 -7.3094 -7.3094 -7.0533 -7.0533 -5.3470 -5.3470 -5.3257 -5.3257 -5.2870 -5.2870 -4.9768 -4.9768 -3.7779 -3.7779 -3.6611 -3.6611 1.0853 1.0853 1.1656 1.1656 2.1794 2.1794 2.9999 2.9999 3.3624 3.3624 3.5550 3.5550 4.8862 4.8862 5.1262 5.1262 5.5346 5.5346 5.7924 5.7924 8.7662 8.7662 9.3675 9.3675 9.6653 9.6653 9.9736 9.9736 k = 0.0513-0.0372-0.0156 ( 5047 PWs) bands (ev): -20.6789 -20.6789 -20.6585 -20.6585 -8.5087 -8.5087 -8.0617 -8.0617 -7.3057 -7.3057 -7.0555 -7.0555 -5.3520 -5.3520 -5.3236 -5.3236 -5.2861 -5.2861 -4.9832 -4.9832 -3.7777 -3.7777 -3.6638 -3.6638 1.0900 1.0900 1.1768 1.1768 2.1908 2.1908 3.0034 3.0034 3.3484 3.3484 3.5459 3.5459 4.8909 4.8909 5.1282 5.1282 5.5372 5.5372 5.7868 5.7868 8.7812 8.7812 9.3580 9.3580 9.6985 9.6985 9.9536 9.9536 k = 0.0641-0.0465-0.0194 ( 5052 PWs) bands (ev): -20.6787 -20.6787 -20.6585 -20.6585 -8.5034 -8.5034 -8.0684 -8.0684 -7.3011 -7.3011 -7.0584 -7.0584 -5.3581 -5.3581 -5.3216 -5.3216 -5.2846 -5.2846 -4.9911 -4.9911 -3.7781 -3.7781 -3.6668 -3.6668 1.0945 1.0945 1.1928 1.1928 2.2054 2.2054 3.0077 3.0077 3.3305 3.3305 3.5352 3.5352 4.8967 4.8967 5.1305 5.1305 5.5403 5.5403 5.7800 5.7800 8.8005 8.8005 9.3510 9.3510 9.7251 9.7251 9.9473 9.9473 k = 0.0769-0.0558-0.0233 ( 5045 PWs) bands (ev): -20.6784 -20.6784 -20.6584 -20.6584 -8.4971 -8.4971 -8.0762 -8.0762 -7.2958 -7.2958 -7.0617 -7.0617 -5.3653 -5.3653 -5.3201 -5.3201 -5.2824 -5.2824 -5.0002 -5.0002 -3.7794 -3.7794 -3.6698 -3.6698 1.0981 1.0981 1.2139 1.2139 2.2229 2.2229 3.0128 3.0128 3.3088 3.3088 3.5234 3.5234 4.9034 4.9034 5.1330 5.1330 5.5436 5.5436 5.7722 5.7722 8.8241 8.8241 9.3470 9.3470 9.7361 9.7361 9.9625 9.9625 k = 0.0897-0.0652-0.0272 ( 5052 PWs) bands (ev): -20.6780 -20.6780 -20.6582 -20.6582 -8.4898 -8.4898 -8.0849 -8.0849 -7.2901 -7.2901 -7.0656 -7.0656 -5.3735 -5.3735 -5.3192 -5.3192 -5.2794 -5.2794 -5.0103 -5.0103 -3.7821 -3.7821 -3.6721 -3.6721 1.1010 1.1010 1.2400 1.2400 2.2433 2.2433 3.0183 3.0183 3.2838 3.2838 3.5107 3.5107 4.9108 4.9108 5.1356 5.1356 5.5469 5.5469 5.7635 5.7635 8.8519 8.8519 9.3458 9.3458 9.7310 9.7310 9.9985 9.9985 k = 0.1026-0.0745-0.0311 ( 5058 PWs) bands (ev): -20.6777 -20.6777 -20.6581 -20.6581 -8.4815 -8.4815 -8.0945 -8.0945 -7.2840 -7.2840 -7.0699 -7.0699 -5.3828 -5.3828 -5.3190 -5.3190 -5.2757 -5.2757 -5.0211 -5.0211 -3.7866 -3.7866 -3.6733 -3.6733 1.1031 1.1031 1.2708 1.2708 2.2663 2.2663 3.0242 3.0242 3.2561 3.2561 3.4975 3.4975 4.9186 4.9186 5.1382 5.1382 5.5502 5.5502 5.7543 5.7543 8.8840 8.8840 9.3467 9.3467 9.7162 9.7162 10.0464 10.0464 k = 0.1154-0.0838-0.0350 ( 5055 PWs) bands (ev): -20.6772 -20.6772 -20.6580 -20.6580 -8.4722 -8.4722 -8.1047 -8.1047 -7.2777 -7.2777 -7.0745 -7.0745 -5.3932 -5.3932 -5.3196 -5.3196 -5.2714 -5.2714 -5.0322 -5.0322 -3.7933 -3.7933 -3.6732 -3.6732 1.1046 1.1046 1.3060 1.3060 2.2919 2.2919 3.0298 3.0298 3.2267 3.2267 3.4840 3.4840 4.9264 4.9264 5.1407 5.1407 5.5532 5.5532 5.7450 5.7450 8.9203 8.9203 9.3486 9.3486 9.6978 9.6978 10.0928 10.0928 k = 0.1282-0.0931-0.0389 ( 5056 PWs) bands (ev): -20.6768 -20.6768 -20.6578 -20.6578 -8.4622 -8.4622 -8.1152 -8.1152 -7.2716 -7.2716 -7.0794 -7.0794 -5.4046 -5.4046 -5.3208 -5.3208 -5.2668 -5.2668 -5.0434 -5.0434 -3.8024 -3.8024 -3.6715 -3.6715 1.1057 1.1057 1.3453 1.3453 2.3197 2.3197 3.0345 3.0345 3.1967 3.1967 3.4703 3.4703 4.9339 4.9339 5.1431 5.1431 5.5559 5.5559 5.7360 5.7360 8.9606 8.9606 9.3502 9.3502 9.6790 9.6790 10.0724 10.0724 k = 0.1410-0.1024-0.0428 ( 5057 PWs) bands (ev): -20.6762 -20.6762 -20.6577 -20.6577 -8.4515 -8.4515 -8.1260 -8.1260 -7.2657 -7.2657 -7.0845 -7.0845 -5.4170 -5.4170 -5.3226 -5.3226 -5.2624 -5.2624 -5.0541 -5.0541 -3.8136 -3.8136 -3.6682 -3.6682 1.1065 1.1065 1.3883 1.3883 2.3495 2.3495 3.0366 3.0366 3.1682 3.1682 3.4564 3.4564 4.9408 4.9408 5.1456 5.1456 5.5581 5.5581 5.7276 5.7276 9.0048 9.0048 9.3498 9.3498 9.6613 9.6613 10.0211 10.0211 k = 0.1538-0.1117-0.0467 ( 5057 PWs) bands (ev): -20.6757 -20.6757 -20.6575 -20.6575 -8.4401 -8.4401 -8.1368 -8.1368 -7.2602 -7.2602 -7.0895 -7.0895 -5.4302 -5.4302 -5.3249 -5.3249 -5.2584 -5.2584 -5.0642 -5.0642 -3.8268 -3.8268 -3.6637 -3.6637 1.1070 1.1070 1.4348 1.4348 2.3812 2.3812 3.0334 3.0334 3.1444 3.1444 3.4425 3.4425 4.9464 4.9464 5.1481 5.1481 5.5599 5.5599 5.7203 5.7203 9.0524 9.0524 9.3457 9.3457 9.6456 9.6456 9.9631 9.9631 k = 0.1667-0.1210-0.0506 ( 5056 PWs) bands (ev): -20.6751 -20.6751 -20.6573 -20.6573 -8.4283 -8.4283 -8.1474 -8.1474 -7.2554 -7.2554 -7.0945 -7.0945 -5.4443 -5.4443 -5.3276 -5.3276 -5.2552 -5.2552 -5.0732 -5.0732 -3.8415 -3.8415 -3.6581 -3.6581 1.1074 1.1074 1.4843 1.4843 2.4145 2.4145 3.0214 3.0214 3.1291 3.1291 3.4286 3.4286 4.9505 4.9505 5.1509 5.1509 5.5614 5.5614 5.7144 5.7144 9.1026 9.1026 9.3362 9.3362 9.6322 9.6322 9.9026 9.9026 k = 0.1795-0.1303-0.0544 ( 5060 PWs) bands (ev): -20.6745 -20.6745 -20.6571 -20.6571 -8.4162 -8.4162 -8.1577 -8.1577 -7.2514 -7.2514 -7.0992 -7.0992 -5.4589 -5.4589 -5.3307 -5.3307 -5.2532 -5.2532 -5.0810 -5.0810 -3.8575 -3.8575 -3.6517 -3.6517 1.1076 1.1076 1.5366 1.5366 2.4490 2.4490 3.0001 3.0001 3.1232 3.1232 3.4148 3.4148 4.9526 4.9526 5.1541 5.1541 5.5626 5.5626 5.7103 5.7103 9.1533 9.1533 9.3203 9.3203 9.6209 9.6209 9.8443 9.8443 k = 0.1923-0.1396-0.0583 ( 5060 PWs) bands (ev): -20.6739 -20.6739 -20.6569 -20.6569 -8.4040 -8.4040 -8.1673 -8.1673 -7.2483 -7.2483 -7.1035 -7.1035 -5.4740 -5.4740 -5.3343 -5.3343 -5.2525 -5.2525 -5.0873 -5.0873 -3.8743 -3.8743 -3.6446 -3.6446 1.1077 1.1077 1.5914 1.5914 2.4846 2.4846 2.9727 2.9727 3.1237 3.1237 3.4011 3.4011 4.9526 4.9526 5.1577 5.1577 5.5638 5.5638 5.7080 5.7080 9.1956 9.1956 9.3033 9.3033 9.6109 9.6109 9.7934 9.7934 k = 0.2051-0.1489-0.0622 ( 5062 PWs) bands (ev): -20.6732 -20.6732 -20.6567 -20.6567 -8.3920 -8.3920 -8.1761 -8.1761 -7.2463 -7.2463 -7.1073 -7.1073 -5.4895 -5.4895 -5.3381 -5.3381 -5.2533 -5.2533 -5.0923 -5.0923 -3.8917 -3.8917 -3.6370 -3.6370 1.1077 1.1077 1.6482 1.6482 2.5209 2.5209 2.9428 2.9428 3.1272 3.1272 3.3877 3.3877 4.9502 4.9502 5.1619 5.1619 5.5653 5.5653 5.7077 5.7077 9.1966 9.1966 9.3150 9.3150 9.6011 9.6011 9.7553 9.7553 k = 0.2179-0.1582-0.0661 ( 5062 PWs) bands (ev): -20.6725 -20.6725 -20.6565 -20.6565 -8.3804 -8.3804 -8.1838 -8.1838 -7.2453 -7.2453 -7.1106 -7.1106 -5.5050 -5.5050 -5.3424 -5.3424 -5.2555 -5.2555 -5.0961 -5.0961 -3.9093 -3.9093 -3.6291 -3.6291 1.1076 1.1076 1.7069 1.7069 2.5577 2.5577 2.9126 2.9126 3.1316 3.1316 3.3747 3.3747 4.9457 4.9457 5.1666 5.1666 5.5675 5.5675 5.7093 5.7093 9.1484 9.1484 9.3611 9.3611 9.5910 9.5910 9.7336 9.7336 k = 0.2308-0.1675-0.0700 ( 5066 PWs) bands (ev): -20.6719 -20.6719 -20.6563 -20.6563 -8.3695 -8.3695 -8.1900 -8.1900 -7.2455 -7.2455 -7.1133 -7.1133 -5.5204 -5.5204 -5.3470 -5.3470 -5.2589 -5.2589 -5.0991 -5.0991 -3.9268 -3.9268 -3.6210 -3.6210 1.1074 1.1074 1.7669 1.7669 2.5946 2.5946 2.8830 2.8830 3.1359 3.1359 3.3622 3.3622 4.9390 4.9390 5.1717 5.1717 5.5707 5.5707 5.7126 5.7126 9.0770 9.0770 9.4138 9.4138 9.5831 9.5831 9.7284 9.7284 k = 0.2436-0.1768-0.0739 ( 5071 PWs) bands (ev): -20.6712 -20.6712 -20.6561 -20.6561 -8.3598 -8.3598 -8.1946 -8.1946 -7.2465 -7.2465 -7.1156 -7.1156 -5.5355 -5.5355 -5.3519 -5.3519 -5.2633 -5.2633 -5.1018 -5.1018 -3.9439 -3.9439 -3.6128 -3.6128 1.1072 1.1072 1.8280 1.8280 2.6314 2.6314 2.8551 2.8551 3.1393 3.1393 3.3503 3.3503 4.9306 4.9306 5.1772 5.1772 5.5752 5.5752 5.7175 5.7175 8.9922 8.9922 9.4592 9.4592 9.5835 9.5835 9.7380 9.7380 k = 0.2564-0.1861-0.0778 ( 5070 PWs) bands (ev): -20.6704 -20.6704 -20.6559 -20.6559 -8.3516 -8.3516 -8.1972 -8.1972 -7.2483 -7.2483 -7.1174 -7.1174 -5.5500 -5.5500 -5.3573 -5.3573 -5.2683 -5.2683 -5.1045 -5.1045 -3.9603 -3.9603 -3.6046 -3.6046 1.1069 1.1069 1.8898 1.8898 2.6674 2.6674 2.8295 2.8295 3.1415 3.1415 3.3391 3.3391 4.9206 4.9206 5.1832 5.1832 5.5810 5.5810 5.7236 5.7236 8.8988 8.8988 9.4850 9.4850 9.6010 9.6010 9.7616 9.7616 k = 0.2692-0.1955-0.0817 ( 5067 PWs) bands (ev): -20.6697 -20.6697 -20.6557 -20.6557 -8.3451 -8.3451 -8.1976 -8.1976 -7.2507 -7.2507 -7.1189 -7.1189 -5.5639 -5.5639 -5.3631 -5.3631 -5.2736 -5.2736 -5.1078 -5.1078 -3.9757 -3.9757 -3.5965 -3.5965 1.1066 1.1066 1.9518 1.9518 2.7018 2.7018 2.8071 2.8071 3.1420 3.1420 3.3286 3.3286 4.9095 4.9095 5.1898 5.1898 5.5884 5.5884 5.7308 5.7308 8.8000 8.8000 9.4907 9.4907 9.6326 9.6326 9.7997 9.7997 k = 0.2821-0.2048-0.0856 ( 5065 PWs) bands (ev): -20.6690 -20.6690 -20.6555 -20.6555 -8.3405 -8.3405 -8.1959 -8.1959 -7.2534 -7.2534 -7.1203 -7.1203 -5.5768 -5.5768 -5.3693 -5.3693 -5.2791 -5.2791 -5.1119 -5.1119 -3.9900 -3.9900 -3.5885 -3.5885 1.1063 1.1063 2.0137 2.0137 2.7314 2.7314 2.7911 2.7911 3.1408 3.1408 3.3188 3.3188 4.8976 4.8976 5.1971 5.1971 5.5970 5.5970 5.7388 5.7388 8.6981 8.6981 9.4869 9.4869 9.6664 9.6664 9.8511 9.8511 k = 0.2949-0.2141-0.0894 ( 5066 PWs) bands (ev): -20.6683 -20.6683 -20.6553 -20.6553 -8.3378 -8.3378 -8.1921 -8.1921 -7.2561 -7.2561 -7.1217 -7.1217 -5.5886 -5.5886 -5.3759 -5.3759 -5.2845 -5.2845 -5.1171 -5.1171 -4.0030 -4.0030 -3.5807 -3.5807 1.1059 1.1059 2.0749 2.0749 2.7436 2.7436 2.7941 2.7941 3.1378 3.1378 3.3095 3.3095 4.8851 4.8851 5.2055 5.2055 5.6068 5.6068 5.7473 5.7473 8.5949 8.5949 9.4796 9.4796 9.6982 9.6982 9.9123 9.9123 k = 0.3077-0.2234-0.0933 ( 5073 PWs) bands (ev): -20.6676 -20.6676 -20.6552 -20.6552 -8.3365 -8.3365 -8.1867 -8.1867 -7.2587 -7.2587 -7.1233 -7.1233 -5.5991 -5.5991 -5.3830 -5.3830 -5.2897 -5.2897 -5.1236 -5.1236 -4.0145 -4.0145 -3.5732 -3.5732 1.1056 1.1056 2.1350 2.1350 2.7360 2.7360 2.8185 2.8185 3.1333 3.1333 3.3006 3.3006 4.8724 4.8724 5.2151 5.2151 5.6174 5.6174 5.7563 5.7563 8.4917 8.4917 9.4708 9.4708 9.7284 9.7284 9.9788 9.9788 k = 0.3205-0.2327-0.0972 ( 5071 PWs) bands (ev): -20.6670 -20.6670 -20.6550 -20.6550 -8.3365 -8.3365 -8.1802 -8.1802 -7.2609 -7.2609 -7.1252 -7.1252 -5.6082 -5.6082 -5.3906 -5.3906 -5.2946 -5.2946 -5.1314 -5.1314 -4.0245 -4.0245 -3.5660 -3.5660 1.1052 1.1052 2.1934 2.1934 2.7251 2.7251 2.8475 2.8475 3.1275 3.1275 3.2918 3.2918 4.8597 4.8597 5.2261 5.2261 5.6286 5.6286 5.7655 5.7655 8.3898 8.3898 9.4613 9.4613 9.7583 9.7583 10.0472 10.0472 k = 0.3333-0.2420-0.1011 ( 5075 PWs) bands (ev): -20.6663 -20.6663 -20.6549 -20.6549 -8.3372 -8.3372 -8.1730 -8.1730 -7.2625 -7.2625 -7.1274 -7.1274 -5.6158 -5.6158 -5.3988 -5.3988 -5.2991 -5.2991 -5.1404 -5.1404 -4.0330 -4.0330 -3.5590 -3.5590 1.1048 1.1048 2.2497 2.2497 2.7159 2.7159 2.8760 2.8760 3.1209 3.1209 3.2829 3.2829 4.8472 4.8472 5.2386 5.2386 5.6400 5.6400 5.7746 5.7746 8.2901 8.2901 9.4514 9.4514 9.7887 9.7887 10.1147 10.1147 k = 0.3462-0.2513-0.1050 ( 5081 PWs) bands (ev): -20.6657 -20.6657 -20.6547 -20.6547 -8.3385 -8.3385 -8.1655 -8.1655 -7.2634 -7.2634 -7.1300 -7.1300 -5.6218 -5.6218 -5.4074 -5.4074 -5.3032 -5.3032 -5.1506 -5.1506 -4.0400 -4.0400 -3.5525 -3.5525 1.1045 1.1045 2.3030 2.3030 2.7096 2.7096 2.9028 2.9028 3.1140 3.1140 3.2736 3.2736 4.8352 4.8352 5.2527 5.2527 5.6513 5.6513 5.7836 5.7836 8.1934 8.1934 9.4413 9.4413 9.8199 9.8199 10.1793 10.1793 k = 0.3590-0.2606-0.1089 ( 5076 PWs) bands (ev): -20.6651 -20.6651 -20.6546 -20.6546 -8.3400 -8.3400 -8.1582 -8.1582 -7.2634 -7.2634 -7.1331 -7.1331 -5.6261 -5.6261 -5.4167 -5.4167 -5.3068 -5.3068 -5.1616 -5.1616 -4.0455 -4.0455 -3.5464 -3.5464 1.1042 1.1042 2.3527 2.3527 2.7068 2.7068 2.9270 2.9270 3.1073 3.1073 3.2638 3.2638 4.8239 4.8239 5.2683 5.2683 5.6623 5.6623 5.7921 5.7921 8.1006 8.1006 9.4312 9.4312 9.8518 9.8518 10.2392 10.2392 k = 0.3718-0.2699-0.1128 ( 5078 PWs) bands (ev): -20.6645 -20.6645 -20.6545 -20.6545 -8.3416 -8.3416 -8.1512 -8.1512 -7.2626 -7.2626 -7.1367 -7.1367 -5.6286 -5.6286 -5.4266 -5.4266 -5.3100 -5.3100 -5.1734 -5.1734 -4.0498 -4.0498 -3.5407 -3.5407 1.1039 1.1039 2.3980 2.3980 2.7079 2.7079 2.9478 2.9478 3.1015 3.1015 3.2535 3.2535 4.8134 4.8134 5.2852 5.2852 5.6727 5.6727 5.7999 5.7999 8.0125 8.0125 9.4214 9.4214 9.8843 9.8843 10.2926 10.2926 k = 0.3846-0.2792-0.1167 ( 5082 PWs) bands (ev): -20.6640 -20.6640 -20.6544 -20.6544 -8.3431 -8.3431 -8.1448 -8.1448 -7.2609 -7.2609 -7.1408 -7.1408 -5.6294 -5.6294 -5.4371 -5.4371 -5.3128 -5.3128 -5.1854 -5.1854 -4.0529 -4.0529 -3.5356 -3.5356 1.1037 1.1037 2.4379 2.4379 2.7132 2.7132 2.9646 2.9646 3.0975 3.0975 3.2428 3.2428 4.8039 4.8039 5.3032 5.3032 5.6824 5.6824 5.8070 5.8070 7.9298 7.9298 9.4120 9.4120 9.9172 9.9172 10.3384 10.3384 k = 0.3974-0.2885-0.1206 ( 5082 PWs) bands (ev): -20.6635 -20.6635 -20.6543 -20.6543 -8.3445 -8.3445 -8.1390 -8.1390 -7.2583 -7.2583 -7.1454 -7.1454 -5.6283 -5.6283 -5.4482 -5.4482 -5.3151 -5.3151 -5.1973 -5.1973 -4.0551 -4.0551 -3.5308 -3.5308 1.1035 1.1035 2.4718 2.4718 2.7231 2.7231 2.9765 2.9765 3.0960 3.0960 3.2319 3.2319 4.7954 4.7954 5.3219 5.3219 5.6911 5.6911 5.8131 5.8131 7.8532 7.8532 9.4032 9.4032 9.9501 9.9501 10.3756 10.3756 k = 0.4103-0.2978-0.1244 ( 5078 PWs) bands (ev): -20.6630 -20.6630 -20.6543 -20.6543 -8.3457 -8.3457 -8.1339 -8.1339 -7.2548 -7.2548 -7.1505 -7.1505 -5.6255 -5.6255 -5.4599 -5.4599 -5.3169 -5.3169 -5.2089 -5.2089 -4.0565 -4.0565 -3.5267 -3.5267 1.1033 1.1033 2.4993 2.4993 2.7372 2.7372 2.9834 2.9834 3.0970 3.0970 3.2211 3.2211 4.7880 4.7880 5.3408 5.3408 5.6987 5.6987 5.8182 5.8182 7.7836 7.7836 9.3951 9.3951 9.9823 9.9823 10.4041 10.4041 k = 0.4231-0.3071-0.1283 ( 5075 PWs) bands (ev): -20.6626 -20.6626 -20.6542 -20.6542 -8.3467 -8.3467 -8.1296 -8.1296 -7.2506 -7.2506 -7.1559 -7.1559 -5.6211 -5.6211 -5.4723 -5.4723 -5.3183 -5.3183 -5.2197 -5.2197 -4.0572 -4.0572 -3.5230 -3.5230 1.1032 1.1032 2.5208 2.5208 2.7547 2.7547 2.9859 2.9859 3.0998 3.0998 3.2110 3.2110 4.7817 4.7817 5.3594 5.3594 5.7053 5.7053 5.8223 5.8223 7.7215 7.7215 9.3880 9.3880 10.0134 10.0134 10.4245 10.4245 k = 0.4359-0.3165-0.1322 ( 5073 PWs) bands (ev): -20.6623 -20.6623 -20.6542 -20.6542 -8.3476 -8.3476 -8.1261 -8.1261 -7.2457 -7.2457 -7.1616 -7.1616 -5.6151 -5.6151 -5.4850 -5.4850 -5.3194 -5.3194 -5.2295 -5.2295 -4.0576 -4.0576 -3.5199 -3.5199 1.1031 1.1031 2.5369 2.5369 2.7740 2.7740 2.9853 2.9853 3.1030 3.1030 3.2021 3.2021 4.7765 4.7765 5.3770 5.3770 5.7106 5.7106 5.8253 5.8253 7.6676 7.6676 9.3819 9.3819 10.0425 10.0425 10.4377 10.4377 k = 0.4487-0.3258-0.1361 ( 5076 PWs) bands (ev): -20.6620 -20.6620 -20.6541 -20.6541 -8.3482 -8.3482 -8.1232 -8.1232 -7.2406 -7.2406 -7.1675 -7.1675 -5.6078 -5.6078 -5.4979 -5.4979 -5.3201 -5.3201 -5.2379 -5.2379 -4.0576 -4.0576 -3.5173 -3.5173 1.1030 1.1030 2.5488 2.5488 2.7933 2.7933 2.9831 2.9831 3.1053 3.1053 3.1950 3.1950 4.7724 4.7724 5.3928 5.3928 5.7148 5.7148 5.8273 5.8273 7.6226 7.6226 9.3768 9.3768 10.0686 10.0686 10.4453 10.4453 k = 0.4615-0.3351-0.1400 ( 5075 PWs) bands (ev): -20.6618 -20.6618 -20.6541 -20.6541 -8.3487 -8.3487 -8.1211 -8.1211 -7.2353 -7.2353 -7.1731 -7.1731 -5.5995 -5.5995 -5.5107 -5.5107 -5.3205 -5.3205 -5.2447 -5.2447 -4.0575 -4.0575 -3.5153 -3.5153 1.1029 1.1029 2.5572 2.5572 2.8108 2.8108 2.9803 2.9803 3.1059 3.1059 3.1902 3.1902 4.7693 4.7693 5.4062 5.4062 5.7179 5.7179 5.8287 5.8287 7.5870 7.5870 9.3729 9.3729 10.0908 10.0908 10.4488 10.4488 k = 0.4744-0.3444-0.1439 ( 5070 PWs) bands (ev): -20.6616 -20.6616 -20.6541 -20.6541 -8.3490 -8.3490 -8.1196 -8.1196 -7.2306 -7.2306 -7.1782 -7.1782 -5.5909 -5.5909 -5.5225 -5.5225 -5.3208 -5.3208 -5.2497 -5.2497 -4.0573 -4.0573 -3.5139 -3.5139 1.1029 1.1029 2.5629 2.5629 2.8248 2.8248 2.9776 2.9776 3.1052 3.1052 3.1874 3.1874 4.7671 4.7671 5.4164 5.4164 5.7199 5.7199 5.8294 5.8294 7.5612 7.5612 9.3701 9.3701 10.1078 10.1078 10.4498 10.4498 k = 0.4872-0.3537-0.1478 ( 5068 PWs) bands (ev): -20.6615 -20.6615 -20.6541 -20.6541 -8.3492 -8.3492 -8.1187 -8.1187 -7.2270 -7.2270 -7.1819 -7.1819 -5.5834 -5.5834 -5.5320 -5.5320 -5.3208 -5.3208 -5.2528 -5.2528 -4.0572 -4.0572 -3.5130 -3.5130 1.1029 1.1029 2.5661 2.5661 2.8339 2.8339 2.9758 2.9758 3.1040 3.1040 3.1862 3.1862 4.7658 4.7658 5.4228 5.4228 5.7211 5.7211 5.8297 5.8297 7.5456 7.5456 9.3684 9.3684 10.1185 10.1185 10.4498 10.4498 k = 0.5000-0.3630-0.1517 ( 5072 PWs) bands (ev): -20.6615 -20.6615 -20.6541 -20.6541 -8.3493 -8.3493 -8.1184 -8.1184 -7.2257 -7.2257 -7.1832 -7.1832 -5.5801 -5.5801 -5.5359 -5.5359 -5.3209 -5.3209 -5.2538 -5.2538 -4.0572 -4.0572 -3.5127 -3.5127 1.1029 1.1029 2.5672 2.5672 2.8370 2.8370 2.9752 2.9752 3.1035 3.1035 3.1858 3.1858 4.7654 4.7654 5.4250 5.4250 5.7215 5.7215 5.8298 5.8298 7.5403 7.5403 9.3678 9.3678 10.1222 10.1222 10.4496 10.4496 k = 0.5000-0.3630 0.1779 ( 5088 PWs) bands (ev): -20.6608 -20.6608 -20.6548 -20.6548 -8.4040 -8.4040 -7.9848 -7.9848 -7.4794 -7.4794 -6.9898 -6.9898 -5.7942 -5.7942 -5.5224 -5.5224 -5.2663 -5.2663 -5.0262 -5.0262 -4.1646 -4.1646 -3.5087 -3.5087 1.0996 1.0996 2.4445 2.4445 2.8450 2.8450 2.9219 2.9219 3.1107 3.1107 3.4040 3.4040 4.7794 4.7794 5.2976 5.2976 5.7470 5.7470 5.8830 5.8830 7.4824 7.4824 9.6684 9.6684 10.1167 10.1167 10.5500 10.5500 k = 0.4872-0.3537 0.1734 ( 5082 PWs) bands (ev): -20.6608 -20.6608 -20.6548 -20.6548 -8.4036 -8.4036 -7.9862 -7.9862 -7.4783 -7.4783 -6.9901 -6.9901 -5.7932 -5.7932 -5.5220 -5.5220 -5.2662 -5.2662 -5.0266 -5.0266 -4.1639 -4.1639 -3.5090 -3.5090 1.0996 1.0996 2.4455 2.4455 2.8389 2.8389 2.9247 2.9247 3.1101 3.1101 3.4035 3.4035 4.7794 4.7794 5.2975 5.2975 5.7461 5.7461 5.8820 5.8820 7.4880 7.4880 9.6686 9.6686 10.1157 10.1157 10.5510 10.5510 k = 0.4744-0.3444 0.1688 ( 5082 PWs) bands (ev): -20.6609 -20.6609 -20.6548 -20.6548 -8.4026 -8.4026 -7.9901 -7.9901 -7.4751 -7.4751 -6.9911 -6.9911 -5.7903 -5.7903 -5.5207 -5.5207 -5.2661 -5.2661 -5.0279 -5.0279 -4.1618 -4.1618 -3.5099 -3.5099 1.0997 1.0997 2.4483 2.4483 2.8225 2.8225 2.9315 2.9315 3.1082 3.1082 3.4019 3.4019 4.7794 4.7794 5.2974 5.2974 5.7435 5.7435 5.8790 5.8790 7.5048 7.5048 9.6691 9.6691 10.1129 10.1129 10.5539 10.5539 k = 0.4615-0.3351 0.1643 ( 5086 PWs) bands (ev): -20.6611 -20.6611 -20.6548 -20.6548 -8.4010 -8.4010 -7.9965 -7.9965 -7.4700 -7.4700 -6.9926 -6.9926 -5.7853 -5.7853 -5.5186 -5.5186 -5.2658 -5.2658 -5.0301 -5.0301 -4.1582 -4.1582 -3.5113 -3.5113 1.0999 1.0999 2.4529 2.4529 2.7985 2.7985 2.9400 2.9400 3.1049 3.1049 3.3989 3.3989 4.7794 4.7794 5.2973 5.2973 5.7393 5.7393 5.8742 5.8742 7.5325 7.5325 9.6697 9.6697 10.1082 10.1082 10.5582 10.5582 k = 0.4487-0.3258 0.1597 ( 5086 PWs) bands (ev): -20.6614 -20.6614 -20.6548 -20.6548 -8.3986 -8.3986 -8.0052 -8.0052 -7.4630 -7.4630 -6.9947 -6.9947 -5.7785 -5.7785 -5.5157 -5.5157 -5.2654 -5.2654 -5.0331 -5.0331 -4.1533 -4.1533 -3.5133 -3.5133 1.1002 1.1002 2.4591 2.4591 2.7687 2.7687 2.9492 2.9492 3.1002 3.1002 3.3945 3.3945 4.7796 4.7796 5.2975 5.2975 5.7334 5.7334 5.8675 5.8675 7.5705 7.5705 9.6702 9.6702 10.1015 10.1015 10.5632 10.5632 k = 0.4359-0.3165 0.1551 ( 5084 PWs) bands (ev): -20.6617 -20.6617 -20.6548 -20.6548 -8.3957 -8.3957 -8.0159 -8.0159 -7.4545 -7.4545 -6.9974 -6.9974 -5.7699 -5.7699 -5.5120 -5.5120 -5.2649 -5.2649 -5.0368 -5.0368 -4.1470 -4.1470 -3.5158 -3.5158 1.1005 1.1005 2.4664 2.4664 2.7343 2.7343 2.9588 2.9588 3.0940 3.0940 3.3882 3.3882 4.7802 4.7802 5.2980 5.2980 5.7260 5.7260 5.8590 5.8590 7.6183 7.6183 9.6700 9.6700 10.0928 10.0928 10.5677 10.5677 k = 0.4231-0.3071 0.1506 ( 5089 PWs) bands (ev): -20.6621 -20.6621 -20.6548 -20.6548 -8.3922 -8.3922 -8.0283 -8.0283 -7.4447 -7.4447 -7.0006 -7.0006 -5.7595 -5.7595 -5.5074 -5.5074 -5.2643 -5.2643 -5.0413 -5.0413 -4.1394 -4.1394 -3.5190 -3.5190 1.1009 1.1009 2.4741 2.4741 2.6968 2.6968 2.9688 2.9688 3.0861 3.0861 3.3798 3.3798 4.7812 4.7812 5.2990 5.2990 5.7173 5.7173 5.8489 5.8489 7.6752 7.6752 9.6687 9.6687 10.0819 10.0819 10.5698 10.5698 k = 0.4103-0.2978 0.1460 ( 5090 PWs) bands (ev): -20.6625 -20.6625 -20.6548 -20.6548 -8.3881 -8.3881 -8.0421 -8.0421 -7.4338 -7.4338 -7.0044 -7.0044 -5.7476 -5.7476 -5.5021 -5.5021 -5.2635 -5.2635 -5.0465 -5.0465 -4.1306 -4.1306 -3.5226 -3.5226 1.1013 1.1013 2.4801 2.4801 2.6586 2.6586 2.9792 2.9792 3.0766 3.0766 3.3694 3.3694 4.7829 4.7829 5.3008 5.3008 5.7073 5.7073 5.8373 5.8373 7.7403 7.7403 9.6657 9.6657 10.0685 10.0685 10.5672 10.5672 k = 0.3974-0.2885 0.1414 ( 5081 PWs) bands (ev): -20.6630 -20.6630 -20.6548 -20.6548 -8.3836 -8.3836 -8.0570 -8.0570 -7.4220 -7.4220 -7.0086 -7.0086 -5.7342 -5.7342 -5.4960 -5.4960 -5.2627 -5.2627 -5.0522 -5.0522 -4.1206 -4.1206 -3.5268 -3.5268 1.1018 1.1018 2.4800 2.4800 2.6245 2.6245 2.9898 2.9898 3.0658 3.0658 3.3569 3.3569 4.7854 4.7854 5.3031 5.3031 5.6964 5.6964 5.8243 5.8243 7.8130 7.8130 9.6605 9.6605 10.0525 10.0525 10.5569 10.5569 k = 0.3846-0.2792 0.1369 ( 5086 PWs) bands (ev): -20.6635 -20.6635 -20.6549 -20.6549 -8.3787 -8.3787 -8.0727 -8.0727 -7.4097 -7.4097 -7.0132 -7.0132 -5.7194 -5.7194 -5.4890 -5.4890 -5.2616 -5.2616 -5.0585 -5.0585 -4.1094 -4.1094 -3.5315 -3.5315 1.1022 1.1022 2.4656 2.4656 2.6031 2.6031 2.9995 2.9995 3.0545 3.0545 3.3426 3.3426 4.7889 4.7889 5.3061 5.3061 5.6847 5.6847 5.8101 5.8101 7.8923 7.8923 9.6523 9.6523 10.0338 10.0338 10.5362 10.5362 k = 0.3718-0.2699 0.1323 ( 5081 PWs) bands (ev): -20.6641 -20.6641 -20.6549 -20.6549 -8.3735 -8.3735 -8.0888 -8.0888 -7.3970 -7.3970 -7.0183 -7.0183 -5.7035 -5.7035 -5.4814 -5.4814 -5.2605 -5.2605 -5.0652 -5.0652 -4.0973 -4.0973 -3.5368 -3.5368 1.1027 1.1027 2.4320 2.4320 2.5997 2.5997 3.0049 3.0049 3.0464 3.0464 3.3267 3.3267 4.7936 4.7936 5.3096 5.3096 5.6725 5.6725 5.7949 5.7949 7.9775 7.9775 9.6408 9.6408 10.0124 10.0124 10.5042 10.5042 k = 0.3590-0.2606 0.1278 ( 5081 PWs) bands (ev): -20.6647 -20.6647 -20.6550 -20.6550 -8.3682 -8.3682 -8.1051 -8.1051 -7.3841 -7.3841 -7.0236 -7.0236 -5.6867 -5.6867 -5.4730 -5.4730 -5.2592 -5.2592 -5.0722 -5.0722 -4.0841 -4.0841 -3.5425 -3.5425 1.1032 1.1032 2.3846 2.3846 2.6089 2.6089 2.9991 2.9991 3.0482 3.0482 3.3097 3.3097 4.7994 4.7994 5.3133 5.3133 5.6602 5.6602 5.7789 5.7789 8.0678 8.0678 9.6254 9.6254 9.9890 9.9890 10.4620 10.4620 k = 0.3462-0.2513 0.1232 ( 5077 PWs) bands (ev): -20.6653 -20.6653 -20.6551 -20.6551 -8.3629 -8.3629 -8.1212 -8.1212 -7.3712 -7.3712 -7.0292 -7.0292 -5.6690 -5.6690 -5.4640 -5.4640 -5.2577 -5.2577 -5.0794 -5.0794 -4.0700 -4.0700 -3.5487 -3.5487 1.1036 1.1036 2.3299 2.3299 2.6246 2.6246 2.9834 2.9834 3.0585 3.0585 3.2922 3.2922 4.8064 4.8064 5.3168 5.3168 5.6480 5.6480 5.7623 5.7623 8.1623 8.1623 9.6057 9.6057 9.9643 9.9643 10.4116 10.4116 k = 0.3333-0.2420 0.1186 ( 5075 PWs) bands (ev): -20.6660 -20.6660 -20.6552 -20.6552 -8.3579 -8.3579 -8.1366 -8.1366 -7.3584 -7.3584 -7.0350 -7.0350 -5.6508 -5.6508 -5.4544 -5.4544 -5.2561 -5.2561 -5.0866 -5.0866 -4.0551 -4.0551 -3.5553 -3.5553 1.1041 1.1041 2.2710 2.2710 2.6433 2.6433 2.9633 2.9633 3.0723 3.0723 3.2749 3.2749 4.8146 4.8146 5.3197 5.3197 5.6366 5.6366 5.7452 5.7452 8.2602 8.2602 9.5813 9.5813 9.9395 9.9395 10.3550 10.3550 k = 0.3205-0.2327 0.1141 ( 5070 PWs) bands (ev): -20.6667 -20.6667 -20.6553 -20.6553 -8.3536 -8.3536 -8.1510 -8.1510 -7.3460 -7.3460 -7.0409 -7.0409 -5.6321 -5.6321 -5.4442 -5.4442 -5.2544 -5.2544 -5.0938 -5.0938 -4.0395 -4.0395 -3.5624 -3.5624 1.1045 1.1045 2.2096 2.2096 2.6629 2.6629 2.9412 2.9412 3.0874 3.0874 3.2584 3.2584 4.8238 4.8238 5.3215 5.3215 5.6263 5.6263 5.7281 5.7281 8.3607 8.3607 9.5524 9.5524 9.9159 9.9159 10.2938 10.2938 k = 0.3077-0.2234 0.1095 ( 5069 PWs) bands (ev): -20.6674 -20.6674 -20.6555 -20.6555 -8.3504 -8.3504 -8.1637 -8.1637 -7.3339 -7.3339 -7.0468 -7.0468 -5.6132 -5.6132 -5.4336 -5.4336 -5.2525 -5.2525 -5.1007 -5.1007 -4.0232 -4.0232 -3.5698 -3.5698 1.1049 1.1049 2.1466 2.1466 2.6813 2.6813 2.9194 2.9194 3.1025 3.1025 3.2437 3.2437 4.8339 4.8339 5.3218 5.3218 5.6176 5.6176 5.7110 5.7110 8.4631 8.4631 9.5191 9.5191 9.8944 9.8944 10.2294 10.2294 k = 0.2949-0.2141 0.1049 ( 5070 PWs) bands (ev): -20.6681 -20.6681 -20.6556 -20.6556 -8.3488 -8.3488 -8.1743 -8.1743 -7.3225 -7.3225 -7.0527 -7.0527 -5.5943 -5.5943 -5.4227 -5.4227 -5.2506 -5.2506 -5.1071 -5.1071 -4.0063 -4.0063 -3.5776 -3.5776 1.1052 1.1052 2.0826 2.0826 2.6956 2.6956 2.9008 2.9008 3.1162 3.1162 3.2321 3.2321 4.8448 4.8448 5.3201 5.3201 5.6110 5.6110 5.6943 5.6943 8.5662 8.5662 9.4821 9.4821 9.8758 9.8758 10.1631 10.1631 k = 0.2821-0.2048 0.1004 ( 5067 PWs) bands (ev): -20.6688 -20.6688 -20.6558 -20.6558 -8.3494 -8.3494 -8.1821 -8.1821 -7.3118 -7.3118 -7.0584 -7.0584 -5.5756 -5.5756 -5.4116 -5.4116 -5.2487 -5.2487 -5.1127 -5.1127 -3.9891 -3.9891 -3.5857 -3.5857 1.1056 1.1056 2.0182 2.0182 2.7013 2.7013 2.8898 2.8898 3.1267 3.1267 3.2258 3.2258 4.8562 4.8562 5.3160 5.3160 5.6065 5.6065 5.6784 5.6784 8.6691 8.6691 9.4423 9.4423 9.8605 9.8605 10.0963 10.0963 k = 0.2692-0.1955 0.0958 ( 5060 PWs) bands (ev): -20.6695 -20.6695 -20.6559 -20.6559 -8.3524 -8.3524 -8.1867 -8.1867 -7.3020 -7.3020 -7.0637 -7.0637 -5.5572 -5.5572 -5.4007 -5.4007 -5.2470 -5.2470 -5.1172 -5.1172 -3.9714 -3.9714 -3.5941 -3.5941 1.1059 1.1059 1.9538 1.9538 2.6946 2.6946 2.8904 2.8904 3.1315 3.1315 3.2269 3.2269 4.8677 4.8677 5.3095 5.3095 5.6040 5.6040 5.6638 5.6638 8.7704 8.7704 9.4008 9.4008 9.8482 9.8482 10.0306 10.0306 k = 0.2564-0.1861 0.0913 ( 5058 PWs) bands (ev): -20.6702 -20.6702 -20.6561 -20.6561 -8.3579 -8.3579 -8.1880 -8.1880 -7.2932 -7.2932 -7.0686 -7.0686 -5.5391 -5.5391 -5.3899 -5.3899 -5.2457 -5.2457 -5.1202 -5.1202 -3.9536 -3.9536 -3.6026 -3.6026 1.1062 1.1062 1.8898 1.8898 2.6755 2.6755 2.9028 2.9028 3.1302 3.1302 3.2362 3.2362 4.8791 4.8791 5.3008 5.3008 5.6026 5.6026 5.6514 5.6514 8.8684 8.8684 9.3594 9.3594 9.8373 9.8373 9.9691 9.9691 k = 0.2436-0.1768 0.0867 ( 5059 PWs) bands (ev): -20.6710 -20.6710 -20.6563 -20.6563 -8.3658 -8.3658 -8.1862 -8.1862 -7.2857 -7.2857 -7.0728 -7.0728 -5.5216 -5.5216 -5.3797 -5.3797 -5.2450 -5.2450 -5.1213 -5.1213 -3.9356 -3.9356 -3.6112 -3.6112 1.1064 1.1064 1.8264 1.8264 2.6476 2.6476 2.9235 2.9235 3.1247 3.1247 3.2514 3.2514 4.8901 4.8901 5.2901 5.2901 5.6007 5.6007 5.6430 5.6430 8.9601 8.9601 9.3206 9.3206 9.8216 9.8216 9.9193 9.9193 k = 0.2308-0.1675 0.0821 ( 5056 PWs) bands (ev): -20.6717 -20.6717 -20.6565 -20.6565 -8.3755 -8.3755 -8.1819 -8.1819 -7.2795 -7.2795 -7.0763 -7.0763 -5.5048 -5.5048 -5.3701 -5.3701 -5.2452 -5.2452 -5.1201 -5.1201 -3.9177 -3.9177 -3.6199 -3.6199 1.1067 1.1067 1.7641 1.7641 2.6145 2.6145 2.9488 2.9488 3.1177 3.1177 3.2702 3.2702 4.9002 4.9002 5.2779 5.2779 5.5960 5.5960 5.6406 5.6406 9.0393 9.0393 9.2896 9.2896 9.7890 9.7890 9.8946 9.8946 k = 0.2179-0.1582 0.0776 ( 5058 PWs) bands (ev): -20.6724 -20.6724 -20.6567 -20.6567 -8.3864 -8.3864 -8.1755 -8.1755 -7.2749 -7.2749 -7.0788 -7.0788 -5.4886 -5.4886 -5.3613 -5.3613 -5.2464 -5.2464 -5.1166 -5.1166 -3.8999 -3.8999 -3.6285 -3.6285 1.1070 1.1070 1.7032 1.7032 2.5784 2.5784 2.9759 2.9759 3.1110 3.1110 3.2911 3.2911 4.9092 4.9092 5.2647 5.2647 5.5884 5.5884 5.6440 5.6440 9.0913 9.0913 9.2803 9.2803 9.7417 9.7417 9.8942 9.8942 k = 0.2051-0.1489 0.0730 ( 5057 PWs) bands (ev): -20.6731 -20.6731 -20.6568 -20.6568 -8.3981 -8.3981 -8.1676 -8.1676 -7.2717 -7.2717 -7.0804 -7.0804 -5.4731 -5.4731 -5.3535 -5.3535 -5.2485 -5.2485 -5.1106 -5.1106 -3.8825 -3.8825 -3.6370 -3.6370 1.1072 1.1072 1.6439 1.6439 2.5411 2.5411 3.0021 3.0021 3.1067 3.1067 3.3132 3.3132 4.9166 4.9166 5.2511 5.2511 5.5797 5.5797 5.6512 5.6512 9.0995 9.0995 9.3075 9.3075 9.6922 9.6922 9.9074 9.9074 k = 0.1923-0.1396 0.0684 ( 5053 PWs) bands (ev): -20.6738 -20.6738 -20.6570 -20.6570 -8.4102 -8.4102 -8.1586 -8.1586 -7.2702 -7.2702 -7.0810 -7.0810 -5.4583 -5.4583 -5.3467 -5.3467 -5.2516 -5.2516 -5.1025 -5.1025 -3.8656 -3.8656 -3.6451 -3.6451 1.1075 1.1075 1.5866 1.5866 2.5034 2.5034 3.0237 3.0237 3.1081 3.1081 3.3360 3.3360 4.9223 4.9223 5.2374 5.2374 5.5712 5.5712 5.6608 5.6608 9.0777 9.0777 9.3548 9.3548 9.6480 9.6480 9.9292 9.9292 k = 0.1795-0.1303 0.0639 ( 5055 PWs) bands (ev): -20.6744 -20.6744 -20.6572 -20.6572 -8.4222 -8.4222 -8.1488 -8.1488 -7.2701 -7.2701 -7.0806 -7.0806 -5.4443 -5.4443 -5.3410 -5.3410 -5.2553 -5.2553 -5.0926 -5.0926 -3.8493 -3.8493 -3.6528 -3.6528 1.1077 1.1077 1.5315 1.5315 2.4659 2.4659 3.0359 3.0359 3.1195 3.1195 3.3589 3.3589 4.9260 4.9260 5.2241 5.2241 5.5633 5.5633 5.6718 5.6718 9.0455 9.0455 9.3980 9.3980 9.6154 9.6154 9.9576 9.9576 k = 0.1667-0.1210 0.0593 ( 5056 PWs) bands (ev): -20.6750 -20.6750 -20.6574 -20.6574 -8.4341 -8.4341 -8.1387 -8.1387 -7.2715 -7.2715 -7.0792 -7.0792 -5.4310 -5.4310 -5.3362 -5.3362 -5.2595 -5.2595 -5.0813 -5.0813 -3.8341 -3.8341 -3.6598 -3.6598 1.1078 1.1078 1.4790 1.4790 2.4294 2.4294 3.0386 3.0386 3.1407 3.1407 3.3818 3.3818 4.9277 4.9277 5.2113 5.2113 5.5565 5.5565 5.6837 5.6837 9.0106 9.0106 9.4214 9.4214 9.6038 9.6038 9.9901 9.9901 k = 0.1538-0.1117 0.0548 ( 5058 PWs) bands (ev): -20.6756 -20.6756 -20.6576 -20.6576 -8.4455 -8.4455 -8.1283 -8.1283 -7.2739 -7.2739 -7.0772 -7.0772 -5.4186 -5.4186 -5.3323 -5.3323 -5.2638 -5.2638 -5.0691 -5.0691 -3.8201 -3.8201 -3.6660 -3.6660 1.1079 1.1079 1.4293 1.4293 2.3941 2.3941 3.0361 3.0361 3.1671 3.1671 3.4045 3.4045 4.9274 4.9274 5.1993 5.1993 5.5507 5.5507 5.6963 5.6963 8.9757 8.9757 9.4197 9.4197 9.6175 9.6175 10.0236 10.0236 k = 0.1410-0.1024 0.0502 ( 5062 PWs) bands (ev): -20.6762 -20.6762 -20.6577 -20.6577 -8.4564 -8.4564 -8.1180 -8.1180 -7.2773 -7.2773 -7.0746 -7.0746 -5.4069 -5.4069 -5.3293 -5.3293 -5.2680 -5.2680 -5.0564 -5.0564 -3.8077 -3.8077 -3.6709 -3.6709 1.1079 1.1079 1.3828 1.3828 2.3604 2.3604 3.0315 3.0315 3.1951 3.1951 3.4265 3.4265 4.9253 4.9253 5.1881 5.1881 5.5459 5.5459 5.7090 5.7090 8.9420 8.9420 9.4034 9.4034 9.6465 9.6465 10.0526 10.0526 k = 0.1282-0.0931 0.0456 ( 5062 PWs) bands (ev): -20.6767 -20.6767 -20.6579 -20.6579 -8.4665 -8.4665 -8.1078 -8.1078 -7.2814 -7.2814 -7.0716 -7.0716 -5.3961 -5.3961 -5.3271 -5.3271 -5.2720 -5.2720 -5.0437 -5.0437 -3.7971 -3.7971 -3.6745 -3.6745 1.1077 1.1077 1.3397 1.3397 2.3286 2.3286 3.0263 3.0263 3.2231 3.2231 3.4478 3.4478 4.9217 4.9217 5.1777 5.1777 5.5421 5.5421 5.7219 5.7219 8.9101 8.9101 9.3836 9.3836 9.6809 9.6809 10.0643 10.0643 k = 0.1154-0.0838 0.0411 ( 5058 PWs) bands (ev): -20.6772 -20.6772 -20.6580 -20.6580 -8.4760 -8.4760 -8.0980 -8.0980 -7.2859 -7.2859 -7.0685 -7.0685 -5.3862 -5.3862 -5.3257 -5.3257 -5.2756 -5.2756 -5.0312 -5.0312 -3.7888 -3.7888 -3.6763 -3.6763 1.1071 1.1071 1.3003 1.3003 2.2991 2.2991 3.0210 3.0210 3.2500 3.2500 3.4681 3.4681 4.9170 4.9170 5.1682 5.1682 5.5391 5.5391 5.7344 5.7344 8.8806 8.8806 9.3659 9.3659 9.7159 9.7159 10.0386 10.0386 k = 0.1026-0.0745 0.0365 ( 5053 PWs) bands (ev): -20.6776 -20.6776 -20.6582 -20.6582 -8.4846 -8.4846 -8.0888 -8.0888 -7.2907 -7.2907 -7.0653 -7.0653 -5.3771 -5.3771 -5.3249 -5.3249 -5.2788 -5.2788 -5.0193 -5.0193 -3.7828 -3.7828 -3.6764 -3.6764 1.1061 1.1061 1.2651 1.2651 2.2721 2.2721 3.0159 3.0159 3.2754 3.2754 3.4871 3.4871 4.9115 4.9115 5.1594 5.1594 5.5368 5.5368 5.7465 5.7465 8.8535 8.8535 9.3525 9.3525 9.7492 9.7492 9.9888 9.9888 k = 0.0897-0.0652 0.0319 ( 5047 PWs) bands (ev): -20.6780 -20.6780 -20.6583 -20.6583 -8.4923 -8.4923 -8.0802 -8.0802 -7.2954 -7.2954 -7.0622 -7.0622 -5.3689 -5.3689 -5.3248 -5.3248 -5.2814 -5.2814 -5.0082 -5.0082 -3.7791 -3.7791 -3.6748 -3.6748 1.1043 1.1043 1.2345 1.2345 2.2477 2.2477 3.0113 3.0113 3.2986 3.2986 3.5046 3.5046 4.9056 4.9056 5.1515 5.1515 5.5350 5.5350 5.7578 5.7578 8.8292 8.8292 9.3441 9.3441 9.7767 9.7767 9.9384 9.9384 k = 0.0769-0.0558 0.0274 ( 5048 PWs) bands (ev): -20.6784 -20.6784 -20.6584 -20.6584 -8.4990 -8.4990 -8.0725 -8.0725 -7.2999 -7.2999 -7.0593 -7.0593 -5.3616 -5.3616 -5.3252 -5.3252 -5.2834 -5.2834 -4.9981 -4.9981 -3.7771 -3.7771 -3.6720 -3.6720 1.1016 1.1016 1.2088 1.2088 2.2261 2.2261 3.0071 3.0071 3.3195 3.3195 3.5205 3.5205 4.8998 4.8998 5.1444 5.1444 5.5337 5.5337 5.7682 5.7682 8.8078 8.8078 9.3413 9.3413 9.7855 9.7855 9.9070 9.9070 k = 0.0641-0.0465 0.0228 ( 5044 PWs) bands (ev): -20.6787 -20.6787 -20.6585 -20.6585 -8.5048 -8.5048 -8.0657 -8.0657 -7.3040 -7.3040 -7.0567 -7.0567 -5.3553 -5.3553 -5.3259 -5.3259 -5.2850 -5.2850 -4.9893 -4.9893 -3.7765 -3.7765 -3.6685 -3.6685 1.0977 1.0977 1.1885 1.1885 2.2076 2.2076 3.0036 3.0036 3.3376 3.3376 3.5343 3.5343 4.8943 4.8943 5.1382 5.1382 5.5327 5.5327 5.7774 5.7774 8.7894 8.7894 9.3439 9.3439 9.7608 9.7608 9.9116 9.9116 k = 0.0513-0.0372 0.0183 ( 5046 PWs) bands (ev): -20.6789 -20.6789 -20.6585 -20.6585 -8.5095 -8.5095 -8.0599 -8.0599 -7.3076 -7.3076 -7.0545 -7.0545 -5.3499 -5.3499 -5.3269 -5.3269 -5.2861 -5.2861 -4.9819 -4.9819 -3.7767 -3.7767 -3.6650 -3.6650 1.0926 1.0926 1.1735 1.1735 2.1922 2.1922 3.0006 3.0006 3.3527 3.3527 3.5460 3.5460 4.8894 4.8894 5.1330 5.1330 5.5320 5.5320 5.7852 5.7852 8.7743 8.7743 9.3514 9.3514 9.7187 9.7187 9.9373 9.9373 k = 0.0385-0.0279 0.0137 ( 5051 PWs) bands (ev): -20.6791 -20.6791 -20.6586 -20.6586 -8.5133 -8.5133 -8.0553 -8.0553 -7.3105 -7.3105 -7.0527 -7.0527 -5.3455 -5.3455 -5.3280 -5.3280 -5.2870 -5.2870 -4.9760 -4.9760 -3.7773 -3.7773 -3.6618 -3.6618 1.0869 1.0869 1.1635 1.1635 2.1802 2.1802 2.9983 2.9983 3.3647 3.3647 3.5554 3.5554 4.8854 4.8854 5.1288 5.1288 5.5315 5.5315 5.7915 5.7915 8.7624 8.7624 9.3626 9.3626 9.6756 9.6756 9.9685 9.9685 k = 0.0256-0.0186 0.0091 ( 5047 PWs) bands (ev): -20.6792 -20.6792 -20.6586 -20.6586 -8.5159 -8.5159 -8.0520 -8.0520 -7.3127 -7.3127 -7.0514 -7.0514 -5.3421 -5.3421 -5.3292 -5.3292 -5.2875 -5.2875 -4.9718 -4.9718 -3.7779 -3.7779 -3.6592 -3.6592 1.0818 1.0818 1.1574 1.1574 2.1715 2.1715 2.9967 2.9967 3.3734 3.3734 3.5622 3.5622 4.8824 4.8824 5.1258 5.1258 5.5312 5.5312 5.7960 5.7960 8.7538 8.7538 9.3754 9.3754 9.6386 9.6386 9.9989 9.9989 k = 0.0128-0.0093 0.0046 ( 5047 PWs) bands (ev): -20.6793 -20.6793 -20.6587 -20.6587 -8.5176 -8.5176 -8.0500 -8.0500 -7.3140 -7.3140 -7.0506 -7.0506 -5.3397 -5.3397 -5.3302 -5.3302 -5.2878 -5.2878 -4.9692 -4.9692 -3.7784 -3.7784 -3.6576 -3.6576 1.0782 1.0782 1.1542 1.1542 2.1662 2.1662 2.9957 2.9957 3.3786 3.3786 3.5663 3.5663 4.8805 4.8805 5.1239 5.1239 5.5310 5.5310 5.7988 5.7988 8.7487 8.7487 9.3864 9.3864 9.6127 9.6127 10.0230 10.0230 k = 0.0000 0.0000 0.0000 ( 5043 PWs) bands (ev): -20.6793 -20.6793 -20.6587 -20.6587 -8.5181 -8.5181 -8.0493 -8.0493 -7.3145 -7.3145 -7.0503 -7.0503 -5.3389 -5.3389 -5.3306 -5.3306 -5.2879 -5.2879 -4.9683 -4.9683 -3.7785 -3.7785 -3.6571 -3.6571 1.0770 1.0770 1.1532 1.1532 2.1645 2.1645 2.9953 2.9953 3.3804 3.3804 3.5677 3.5677 4.8799 4.8799 5.1233 5.1233 5.5309 5.5309 5.7998 5.7998 8.7470 8.7470 9.3909 9.3909 9.6032 9.6032 10.0330 10.0330 Writing output data file BaS2.save init_run : 0.32s CPU 0.46s WALL ( 1 calls) electrons : 181.32s CPU 183.90s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 181.31s CPU 183.89s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 315 calls) cegterg : 167.33s CPU 169.45s WALL ( 466 calls) Called by sum_band: Called by *egterg: h_psi : 87.21s CPU 88.82s WALL ( 7584 calls) s_psi : 8.76s CPU 8.82s WALL ( 7584 calls) g_psi : 0.30s CPU 0.29s WALL ( 6803 calls) cdiaghg : 59.15s CPU 59.69s WALL ( 7118 calls) cegterg:over : 7.63s CPU 7.58s WALL ( 6803 calls) cegterg:upda : 6.82s CPU 7.07s WALL ( 6803 calls) cegterg:last : 3.46s CPU 3.48s WALL ( 1259 calls) cdiaghg:chol : 3.28s CPU 3.43s WALL ( 7118 calls) cdiaghg:inve : 2.28s CPU 2.33s WALL ( 7118 calls) cdiaghg:para : 3.65s CPU 3.83s WALL ( 14236 calls) Called by h_psi: h_psi:vloc : 69.01s CPU 70.27s WALL ( 7584 calls) h_psi:vnl : 17.96s CPU 18.28s WALL ( 7584 calls) add_vuspsi : 9.86s CPU 10.01s WALL ( 7584 calls) General routines calbec : 8.06s CPU 8.25s WALL ( 7584 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 64.42s CPU 65.55s WALL ( 788080 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.22s WALL ( 630 calls) Parallel routines fft_scatter : 25.06s CPU 25.44s WALL ( 788103 calls) PWSCF : 3m18.29s CPU 3m32.94s WALL This run was terminated on: 14: 6:48 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=