Program PWSCF v.5.1.1 starts on 20Jul2015 at 1:47:26 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TiBr3.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 122 43 12 7322 1572 229 Max 123 44 13 7327 1600 233 Sum 5881 2107 583 351559 76259 11047 bravais-lattice index = 14 lattice parameter (alat) = 12.1396 a.u. unit-cell volume = 1505.5488 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 66.00 number of Kohn-Sham states= 80 kinetic-energy cutoff = 52.0000 Ry charge density cutoff = 576.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.139600 celldm(2)= 1.002179 celldm(3)= 1.126401 celldm(4)= 0.442602 celldm(5)= 0.441349 celldm(6)= 0.498185 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.499271 0.868960 0.000000 ) a(3) = ( 0.497136 0.289343 0.968460 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.574561 -0.341667 ) b(2) = ( 0.000000 1.150801 -0.343821 ) b(3) = ( 0.000000 0.000000 1.032567 ) PseudoPot. # 1 for Br read from file: /home/autes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1177 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Br 7.00 79.90400 Br( 1.00) Ti 12.00 47.86700 Ti( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 222 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.5000000 -0.2872806 -0.1708334), wk = 0.0045045 k( 2) = ( 0.4833333 -0.2777045 -0.1651390), wk = 0.0045045 k( 3) = ( 0.4666667 -0.2681285 -0.1594445), wk = 0.0045045 k( 4) = ( 0.4500000 -0.2585525 -0.1537501), wk = 0.0045045 k( 5) = ( 0.4333333 -0.2489765 -0.1480556), wk = 0.0045045 k( 6) = ( 0.4166667 -0.2394005 -0.1423612), wk = 0.0045045 k( 7) = ( 0.4000000 -0.2298244 -0.1366668), wk = 0.0045045 k( 8) = ( 0.3833333 -0.2202484 -0.1309723), wk = 0.0045045 k( 9) = ( 0.3666667 -0.2106724 -0.1252779), wk = 0.0045045 k( 10) = ( 0.3500000 -0.2010964 -0.1195834), wk = 0.0045045 k( 11) = ( 0.3333333 -0.1915204 -0.1138890), wk = 0.0045045 k( 12) = ( 0.3166667 -0.1819444 -0.1081945), wk = 0.0045045 k( 13) = ( 0.3000000 -0.1723683 -0.1025001), wk = 0.0045045 k( 14) = ( 0.2833333 -0.1627923 -0.0968056), wk = 0.0045045 k( 15) = ( 0.2666667 -0.1532163 -0.0911112), wk = 0.0045045 k( 16) = ( 0.2500000 -0.1436403 -0.0854167), wk = 0.0045045 k( 17) = ( 0.2333333 -0.1340643 -0.0797223), wk = 0.0045045 k( 18) = ( 0.2166667 -0.1244882 -0.0740278), wk = 0.0045045 k( 19) = ( 0.2000000 -0.1149122 -0.0683334), wk = 0.0045045 k( 20) = ( 0.1833333 -0.1053362 -0.0626389), wk = 0.0045045 k( 21) = ( 0.1666667 -0.0957602 -0.0569445), wk = 0.0045045 k( 22) = ( 0.1500000 -0.0861842 -0.0512500), wk = 0.0045045 k( 23) = ( 0.1333333 -0.0766081 -0.0455556), wk = 0.0045045 k( 24) = ( 0.1166667 -0.0670321 -0.0398611), wk = 0.0045045 k( 25) = ( 0.1000000 -0.0574561 -0.0341667), wk = 0.0045045 k( 26) = ( 0.0833333 -0.0478801 -0.0284722), wk = 0.0045045 k( 27) = ( 0.0666667 -0.0383041 -0.0227778), wk = 0.0045045 k( 28) = ( 0.0500000 -0.0287281 -0.0170833), wk = 0.0045045 k( 29) = ( 0.0333333 -0.0191520 -0.0113889), wk = 0.0045045 k( 30) = ( 0.0166667 -0.0095760 -0.0056944), wk = 0.0045045 k( 31) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 33) = ( 0.0000000 0.0191800 -0.0057303), wk = 0.0045045 k( 34) = ( 0.0000000 0.0383600 -0.0114607), wk = 0.0045045 k( 35) = ( 0.0000000 0.0575400 -0.0171910), wk = 0.0045045 k( 36) = ( 0.0000000 0.0767200 -0.0229214), wk = 0.0045045 k( 37) = ( 0.0000000 0.0959000 -0.0286517), wk = 0.0045045 k( 38) = ( 0.0000000 0.1150801 -0.0343821), wk = 0.0045045 k( 39) = ( 0.0000000 0.1342601 -0.0401124), wk = 0.0045045 k( 40) = ( 0.0000000 0.1534401 -0.0458427), wk = 0.0045045 k( 41) = ( 0.0000000 0.1726201 -0.0515731), wk = 0.0045045 k( 42) = ( 0.0000000 0.1918001 -0.0573034), wk = 0.0045045 k( 43) = ( 0.0000000 0.2109801 -0.0630338), wk = 0.0045045 k( 44) = ( 0.0000000 0.2301601 -0.0687641), wk = 0.0045045 k( 45) = ( 0.0000000 0.2493401 -0.0744945), wk = 0.0045045 k( 46) = ( 0.0000000 0.2685201 -0.0802248), wk = 0.0045045 k( 47) = ( 0.0000000 0.2877001 -0.0859551), wk = 0.0045045 k( 48) = ( 0.0000000 0.3068801 -0.0916855), wk = 0.0045045 k( 49) = ( 0.0000000 0.3260601 -0.0974158), wk = 0.0045045 k( 50) = ( 0.0000000 0.3452402 -0.1031462), wk = 0.0045045 k( 51) = ( 0.0000000 0.3644202 -0.1088765), wk = 0.0045045 k( 52) = ( 0.0000000 0.3836002 -0.1146068), wk = 0.0045045 k( 53) = ( 0.0000000 0.4027802 -0.1203372), wk = 0.0045045 k( 54) = ( 0.0000000 0.4219602 -0.1260675), wk = 0.0045045 k( 55) = ( 0.0000000 0.4411402 -0.1317979), wk = 0.0045045 k( 56) = ( 0.0000000 0.4603202 -0.1375282), wk = 0.0045045 k( 57) = ( 0.0000000 0.4795002 -0.1432586), wk = 0.0045045 k( 58) = ( 0.0000000 0.4986802 -0.1489889), wk = 0.0045045 k( 59) = ( 0.0000000 0.5178602 -0.1547192), wk = 0.0045045 k( 60) = ( 0.0000000 0.5370402 -0.1604496), wk = 0.0045045 k( 61) = ( 0.0000000 0.5562202 -0.1661799), wk = 0.0045045 k( 62) = ( 0.0000000 0.5754003 -0.1719103), wk = 0.0045045 k( 63) = ( 0.5000000 0.2881197 -0.3427437), wk = 0.0045045 k( 64) = ( 0.4848485 0.2793888 -0.3323575), wk = 0.0045045 k( 65) = ( 0.4696970 0.2706579 -0.3219714), wk = 0.0045045 k( 66) = ( 0.4545455 0.2619270 -0.3115852), wk = 0.0045045 k( 67) = ( 0.4393939 0.2531961 -0.3011990), wk = 0.0045045 k( 68) = ( 0.4242424 0.2444652 -0.2908128), wk = 0.0045045 k( 69) = ( 0.4090909 0.2357343 -0.2804267), wk = 0.0045045 k( 70) = ( 0.3939394 0.2270034 -0.2700405), wk = 0.0045045 k( 71) = ( 0.3787879 0.2182725 -0.2596543), wk = 0.0045045 k( 72) = ( 0.3636364 0.2095416 -0.2492681), wk = 0.0045045 k( 73) = ( 0.3484849 0.2008107 -0.2388820), wk = 0.0045045 k( 74) = ( 0.3333333 0.1920798 -0.2284958), wk = 0.0045045 k( 75) = ( 0.3181818 0.1833489 -0.2181096), wk = 0.0045045 k( 76) = ( 0.3030303 0.1746180 -0.2077235), wk = 0.0045045 k( 77) = ( 0.2878788 0.1658871 -0.1973373), wk = 0.0045045 k( 78) = ( 0.2727273 0.1571562 -0.1869511), wk = 0.0045045 k( 79) = ( 0.2575758 0.1484253 -0.1765649), wk = 0.0045045 k( 80) = ( 0.2424242 0.1396944 -0.1661788), wk = 0.0045045 k( 81) = ( 0.2272727 0.1309635 -0.1557926), wk = 0.0045045 k( 82) = ( 0.2121212 0.1222326 -0.1454064), wk = 0.0045045 k( 83) = ( 0.1969697 0.1135017 -0.1350203), wk = 0.0045045 k( 84) = ( 0.1818182 0.1047708 -0.1246341), wk = 0.0045045 k( 85) = ( 0.1666667 0.0960399 -0.1142479), wk = 0.0045045 k( 86) = ( 0.1515151 0.0873090 -0.1038617), wk = 0.0045045 k( 87) = ( 0.1363636 0.0785781 -0.0934756), wk = 0.0045045 k( 88) = ( 0.1212121 0.0698472 -0.0830894), wk = 0.0045045 k( 89) = ( 0.1060606 0.0611163 -0.0727032), wk = 0.0045045 k( 90) = ( 0.0909091 0.0523854 -0.0623170), wk = 0.0045045 k( 91) = ( 0.0757576 0.0436545 -0.0519309), wk = 0.0045045 k( 92) = ( 0.0606061 0.0349236 -0.0415447), wk = 0.0045045 k( 93) = ( 0.0454546 0.0261927 -0.0311585), wk = 0.0045045 k( 94) = ( 0.0303030 0.0174618 -0.0207723), wk = 0.0045045 k( 95) = ( 0.0151515 0.0087309 -0.0103862), wk = 0.0045045 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 98) = ( 0.0000000 0.0000000 0.0198571), wk = 0.0045045 k( 99) = ( 0.0000000 0.0000000 0.0397141), wk = 0.0045045 k( 100) = ( 0.0000000 0.0000000 0.0595712), wk = 0.0045045 k( 101) = ( 0.0000000 0.0000000 0.0794282), wk = 0.0045045 k( 102) = ( 0.0000000 0.0000000 0.0992853), wk = 0.0045045 k( 103) = ( 0.0000000 0.0000000 0.1191423), wk = 0.0045045 k( 104) = ( 0.0000000 0.0000000 0.1389994), wk = 0.0045045 k( 105) = ( 0.0000000 0.0000000 0.1588564), wk = 0.0045045 k( 106) = ( 0.0000000 0.0000000 0.1787135), wk = 0.0045045 k( 107) = ( 0.0000000 0.0000000 0.1985706), wk = 0.0045045 k( 108) = ( 0.0000000 0.0000000 0.2184276), wk = 0.0045045 k( 109) = ( 0.0000000 0.0000000 0.2382847), wk = 0.0045045 k( 110) = ( 0.0000000 0.0000000 0.2581417), wk = 0.0045045 k( 111) = ( 0.0000000 0.0000000 0.2779988), wk = 0.0045045 k( 112) = ( 0.0000000 0.0000000 0.2978559), wk = 0.0045045 k( 113) = ( 0.0000000 0.0000000 0.3177129), wk = 0.0045045 k( 114) = ( 0.0000000 0.0000000 0.3375700), wk = 0.0045045 k( 115) = ( 0.0000000 0.0000000 0.3574270), wk = 0.0045045 k( 116) = ( 0.0000000 0.0000000 0.3772841), wk = 0.0045045 k( 117) = ( 0.0000000 0.0000000 0.3971411), wk = 0.0045045 k( 118) = ( 0.0000000 0.0000000 0.4169982), wk = 0.0045045 k( 119) = ( 0.0000000 0.0000000 0.4368552), wk = 0.0045045 k( 120) = ( 0.0000000 0.0000000 0.4567123), wk = 0.0045045 k( 121) = ( 0.0000000 0.0000000 0.4765694), wk = 0.0045045 k( 122) = ( 0.0000000 0.0000000 0.4964264), wk = 0.0045045 k( 123) = ( 0.0000000 0.0000000 0.5162835), wk = 0.0045045 k( 124) = ( 0.5000000 -0.2872806 0.3454500), wk = 0.0045045 k( 125) = ( 0.4848485 -0.2785751 0.3349818), wk = 0.0045045 k( 126) = ( 0.4696970 -0.2698696 0.3245137), wk = 0.0045045 k( 127) = ( 0.4545455 -0.2611641 0.3140455), wk = 0.0045045 k( 128) = ( 0.4393939 -0.2524587 0.3035773), wk = 0.0045045 k( 129) = ( 0.4242424 -0.2437532 0.2931091), wk = 0.0045045 k( 130) = ( 0.4090909 -0.2350477 0.2826409), wk = 0.0045045 k( 131) = ( 0.3939394 -0.2263423 0.2721728), wk = 0.0045045 k( 132) = ( 0.3787879 -0.2176368 0.2617046), wk = 0.0045045 k( 133) = ( 0.3636364 -0.2089313 0.2512364), wk = 0.0045045 k( 134) = ( 0.3484849 -0.2002258 0.2407682), wk = 0.0045045 k( 135) = ( 0.3333333 -0.1915204 0.2303000), wk = 0.0045045 k( 136) = ( 0.3181818 -0.1828149 0.2198318), wk = 0.0045045 k( 137) = ( 0.3030303 -0.1741094 0.2093637), wk = 0.0045045 k( 138) = ( 0.2878788 -0.1654040 0.1988955), wk = 0.0045045 k( 139) = ( 0.2727273 -0.1566985 0.1884273), wk = 0.0045045 k( 140) = ( 0.2575758 -0.1479930 0.1779591), wk = 0.0045045 k( 141) = ( 0.2424242 -0.1392875 0.1674909), wk = 0.0045045 k( 142) = ( 0.2272727 -0.1305821 0.1570227), wk = 0.0045045 k( 143) = ( 0.2121212 -0.1218766 0.1465546), wk = 0.0045045 k( 144) = ( 0.1969697 -0.1131711 0.1360864), wk = 0.0045045 k( 145) = ( 0.1818182 -0.1044657 0.1256182), wk = 0.0045045 k( 146) = ( 0.1666667 -0.0957602 0.1151500), wk = 0.0045045 k( 147) = ( 0.1515151 -0.0870547 0.1046818), wk = 0.0045045 k( 148) = ( 0.1363636 -0.0783492 0.0942136), wk = 0.0045045 k( 149) = ( 0.1212121 -0.0696438 0.0837455), wk = 0.0045045 k( 150) = ( 0.1060606 -0.0609383 0.0732773), wk = 0.0045045 k( 151) = ( 0.0909091 -0.0522328 0.0628091), wk = 0.0045045 k( 152) = ( 0.0757576 -0.0435274 0.0523409), wk = 0.0045045 k( 153) = ( 0.0606061 -0.0348219 0.0418727), wk = 0.0045045 k( 154) = ( 0.0454546 -0.0261164 0.0314046), wk = 0.0045045 k( 155) = ( 0.0303030 -0.0174109 0.0209364), wk = 0.0045045 k( 156) = ( 0.0151515 -0.0087055 0.0104682), wk = 0.0045045 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 159) = ( 0.0000000 0.0174364 0.0104356), wk = 0.0045045 k( 160) = ( 0.0000000 0.0348727 0.0208711), wk = 0.0045045 k( 161) = ( 0.0000000 0.0523091 0.0313067), wk = 0.0045045 k( 162) = ( 0.0000000 0.0697455 0.0417422), wk = 0.0045045 k( 163) = ( 0.0000000 0.0871819 0.0521778), wk = 0.0045045 k( 164) = ( 0.0000000 0.1046182 0.0626133), wk = 0.0045045 k( 165) = ( 0.0000000 0.1220546 0.0730489), wk = 0.0045045 k( 166) = ( 0.0000000 0.1394910 0.0834844), wk = 0.0045045 k( 167) = ( 0.0000000 0.1569273 0.0939200), wk = 0.0045045 k( 168) = ( 0.0000000 0.1743637 0.1043555), wk = 0.0045045 k( 169) = ( 0.0000000 0.1918001 0.1147911), wk = 0.0045045 k( 170) = ( 0.0000000 0.2092365 0.1252266), wk = 0.0045045 k( 171) = ( 0.0000000 0.2266728 0.1356622), wk = 0.0045045 k( 172) = ( 0.0000000 0.2441092 0.1460977), wk = 0.0045045 k( 173) = ( 0.0000000 0.2615456 0.1565333), wk = 0.0045045 k( 174) = ( 0.0000000 0.2789819 0.1669688), wk = 0.0045045 k( 175) = ( 0.0000000 0.2964183 0.1774044), wk = 0.0045045 k( 176) = ( 0.0000000 0.3138547 0.1878399), wk = 0.0045045 k( 177) = ( 0.0000000 0.3312911 0.1982755), wk = 0.0045045 k( 178) = ( 0.0000000 0.3487274 0.2087110), wk = 0.0045045 k( 179) = ( 0.0000000 0.3661638 0.2191466), wk = 0.0045045 k( 180) = ( 0.0000000 0.3836002 0.2295821), wk = 0.0045045 k( 181) = ( 0.0000000 0.4010365 0.2400177), wk = 0.0045045 k( 182) = ( 0.0000000 0.4184729 0.2504532), wk = 0.0045045 k( 183) = ( 0.0000000 0.4359093 0.2608888), wk = 0.0045045 k( 184) = ( 0.0000000 0.4533457 0.2713243), wk = 0.0045045 k( 185) = ( 0.0000000 0.4707820 0.2817599), wk = 0.0045045 k( 186) = ( 0.0000000 0.4882184 0.2921954), wk = 0.0045045 k( 187) = ( 0.0000000 0.5056548 0.3026310), wk = 0.0045045 k( 188) = ( 0.0000000 0.5230911 0.3130665), wk = 0.0045045 k( 189) = ( 0.0000000 0.5405275 0.3235021), wk = 0.0045045 k( 190) = ( 0.0000000 0.5579639 0.3339376), wk = 0.0045045 k( 191) = ( 0.0000000 0.5754003 0.3443732), wk = 0.0045045 k( 192) = ( 0.5000000 0.2881197 0.1735398), wk = 0.0045045 k( 193) = ( 0.4833333 0.2785157 0.1677551), wk = 0.0045045 k( 194) = ( 0.4666667 0.2689117 0.1619704), wk = 0.0045045 k( 195) = ( 0.4500000 0.2593077 0.1561858), wk = 0.0045045 k( 196) = ( 0.4333333 0.2497037 0.1504011), wk = 0.0045045 k( 197) = ( 0.4166667 0.2400998 0.1446165), wk = 0.0045045 k( 198) = ( 0.4000000 0.2304958 0.1388318), wk = 0.0045045 k( 199) = ( 0.3833333 0.2208918 0.1330472), wk = 0.0045045 k( 200) = ( 0.3666667 0.2112878 0.1272625), wk = 0.0045045 k( 201) = ( 0.3500000 0.2016838 0.1214778), wk = 0.0045045 k( 202) = ( 0.3333333 0.1920798 0.1156932), wk = 0.0045045 k( 203) = ( 0.3166667 0.1824758 0.1099085), wk = 0.0045045 k( 204) = ( 0.3000000 0.1728718 0.1041239), wk = 0.0045045 k( 205) = ( 0.2833333 0.1632678 0.0983392), wk = 0.0045045 k( 206) = ( 0.2666667 0.1536638 0.0925545), wk = 0.0045045 k( 207) = ( 0.2500000 0.1440599 0.0867699), wk = 0.0045045 k( 208) = ( 0.2333333 0.1344559 0.0809852), wk = 0.0045045 k( 209) = ( 0.2166667 0.1248519 0.0752006), wk = 0.0045045 k( 210) = ( 0.2000000 0.1152479 0.0694159), wk = 0.0045045 k( 211) = ( 0.1833333 0.1056439 0.0636312), wk = 0.0045045 k( 212) = ( 0.1666667 0.0960399 0.0578466), wk = 0.0045045 k( 213) = ( 0.1500000 0.0864359 0.0520619), wk = 0.0045045 k( 214) = ( 0.1333333 0.0768319 0.0462773), wk = 0.0045045 k( 215) = ( 0.1166667 0.0672279 0.0404926), wk = 0.0045045 k( 216) = ( 0.1000000 0.0576239 0.0347080), wk = 0.0045045 k( 217) = ( 0.0833333 0.0480199 0.0289233), wk = 0.0045045 k( 218) = ( 0.0666667 0.0384160 0.0231386), wk = 0.0045045 k( 219) = ( 0.0500000 0.0288120 0.0173540), wk = 0.0045045 k( 220) = ( 0.0333333 0.0192080 0.0115693), wk = 0.0045045 k( 221) = ( 0.0166667 0.0096040 0.0057847), wk = 0.0045045 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 cryst. coord. k( 1) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0045045 k( 2) = ( 0.4833333 -0.0000000 0.0000000), wk = 0.0045045 k( 3) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0045045 k( 4) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0045045 k( 5) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0045045 k( 6) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0045045 k( 7) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0045045 k( 8) = ( 0.3833333 0.0000000 0.0000000), wk = 0.0045045 k( 9) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0045045 k( 10) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0045045 k( 11) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0045045 k( 12) = ( 0.3166667 0.0000000 0.0000000), wk = 0.0045045 k( 13) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0045045 k( 14) = ( 0.2833333 0.0000000 0.0000000), wk = 0.0045045 k( 15) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0045045 k( 16) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0045045 k( 17) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0045045 k( 18) = ( 0.2166667 0.0000000 0.0000000), wk = 0.0045045 k( 19) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0045045 k( 20) = ( 0.1833333 0.0000000 0.0000000), wk = 0.0045045 k( 21) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0045045 k( 22) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0045045 k( 23) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0045045 k( 24) = ( 0.1166667 0.0000000 0.0000000), wk = 0.0045045 k( 25) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0045045 k( 26) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0045045 k( 27) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0045045 k( 28) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0045045 k( 29) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0045045 k( 30) = ( 0.0166667 0.0000000 0.0000000), wk = 0.0045045 k( 31) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 33) = ( 0.0000000 0.0166667 0.0000000), wk = 0.0045045 k( 34) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0045045 k( 35) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0045045 k( 36) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0045045 k( 37) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0045045 k( 38) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0045045 k( 39) = ( 0.0000000 0.1166667 0.0000000), wk = 0.0045045 k( 40) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0045045 k( 41) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0045045 k( 42) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0045045 k( 43) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0045045 k( 44) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0045045 k( 45) = ( 0.0000000 0.2166667 0.0000000), wk = 0.0045045 k( 46) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0045045 k( 47) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0045045 k( 48) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0045045 k( 49) = ( 0.0000000 0.2833333 -0.0000000), wk = 0.0045045 k( 50) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0045045 k( 51) = ( 0.0000000 0.3166667 -0.0000000), wk = 0.0045045 k( 52) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0045045 k( 53) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0045045 k( 54) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0045045 k( 55) = ( 0.0000000 0.3833333 0.0000000), wk = 0.0045045 k( 56) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0045045 k( 57) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0045045 k( 58) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0045045 k( 59) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0045045 k( 60) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0045045 k( 61) = ( 0.0000000 0.4833333 0.0000000), wk = 0.0045045 k( 62) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0045045 k( 63) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0045045 k( 64) = ( 0.4848485 0.4848485 0.0000000), wk = 0.0045045 k( 65) = ( 0.4696970 0.4696970 0.0000000), wk = 0.0045045 k( 66) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0045045 k( 67) = ( 0.4393939 0.4393939 -0.0000000), wk = 0.0045045 k( 68) = ( 0.4242424 0.4242424 -0.0000000), wk = 0.0045045 k( 69) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0045045 k( 70) = ( 0.3939394 0.3939394 0.0000000), wk = 0.0045045 k( 71) = ( 0.3787879 0.3787879 0.0000000), wk = 0.0045045 k( 72) = ( 0.3636364 0.3636364 0.0000000), wk = 0.0045045 k( 73) = ( 0.3484849 0.3484849 0.0000000), wk = 0.0045045 k( 74) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0045045 k( 75) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0045045 k( 76) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0045045 k( 77) = ( 0.2878788 0.2878788 0.0000000), wk = 0.0045045 k( 78) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0045045 k( 79) = ( 0.2575758 0.2575758 0.0000000), wk = 0.0045045 k( 80) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0045045 k( 81) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0045045 k( 82) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0045045 k( 83) = ( 0.1969697 0.1969697 0.0000000), wk = 0.0045045 k( 84) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0045045 k( 85) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0045045 k( 86) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0045045 k( 87) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0045045 k( 88) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0045045 k( 89) = ( 0.1060606 0.1060606 0.0000000), wk = 0.0045045 k( 90) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0045045 k( 91) = ( 0.0757576 0.0757576 0.0000000), wk = 0.0045045 k( 92) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0045045 k( 93) = ( 0.0454546 0.0454545 0.0000000), wk = 0.0045045 k( 94) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0045045 k( 95) = ( 0.0151515 0.0151515 0.0000000), wk = 0.0045045 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 98) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0045045 k( 99) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0045045 k( 100) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0045045 k( 101) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0045045 k( 102) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0045045 k( 103) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0045045 k( 104) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0045045 k( 105) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0045045 k( 106) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0045045 k( 107) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0045045 k( 108) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0045045 k( 109) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0045045 k( 110) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0045045 k( 111) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0045045 k( 112) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0045045 k( 113) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0045045 k( 114) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0045045 k( 115) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0045045 k( 116) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0045045 k( 117) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0045045 k( 118) = ( 0.0000000 0.0000000 0.4038461), wk = 0.0045045 k( 119) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0045045 k( 120) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0045045 k( 121) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0045045 k( 122) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0045045 k( 123) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045045 k( 124) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0045045 k( 125) = ( 0.4848485 0.0000000 0.4848485), wk = 0.0045045 k( 126) = ( 0.4696970 0.0000000 0.4696970), wk = 0.0045045 k( 127) = ( 0.4545455 0.0000000 0.4545455), wk = 0.0045045 k( 128) = ( 0.4393939 0.0000000 0.4393939), wk = 0.0045045 k( 129) = ( 0.4242424 0.0000000 0.4242424), wk = 0.0045045 k( 130) = ( 0.4090909 0.0000000 0.4090909), wk = 0.0045045 k( 131) = ( 0.3939394 0.0000000 0.3939394), wk = 0.0045045 k( 132) = ( 0.3787879 0.0000000 0.3787879), wk = 0.0045045 k( 133) = ( 0.3636364 -0.0000000 0.3636364), wk = 0.0045045 k( 134) = ( 0.3484849 0.0000000 0.3484848), wk = 0.0045045 k( 135) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0045045 k( 136) = ( 0.3181818 0.0000000 0.3181818), wk = 0.0045045 k( 137) = ( 0.3030303 0.0000000 0.3030303), wk = 0.0045045 k( 138) = ( 0.2878788 0.0000000 0.2878788), wk = 0.0045045 k( 139) = ( 0.2727273 -0.0000000 0.2727273), wk = 0.0045045 k( 140) = ( 0.2575758 -0.0000000 0.2575758), wk = 0.0045045 k( 141) = ( 0.2424242 0.0000000 0.2424242), wk = 0.0045045 k( 142) = ( 0.2272727 0.0000000 0.2272727), wk = 0.0045045 k( 143) = ( 0.2121212 0.0000000 0.2121212), wk = 0.0045045 k( 144) = ( 0.1969697 0.0000000 0.1969697), wk = 0.0045045 k( 145) = ( 0.1818182 -0.0000000 0.1818182), wk = 0.0045045 k( 146) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0045045 k( 147) = ( 0.1515151 0.0000000 0.1515151), wk = 0.0045045 k( 148) = ( 0.1363636 0.0000000 0.1363636), wk = 0.0045045 k( 149) = ( 0.1212121 0.0000000 0.1212121), wk = 0.0045045 k( 150) = ( 0.1060606 0.0000000 0.1060606), wk = 0.0045045 k( 151) = ( 0.0909091 -0.0000000 0.0909091), wk = 0.0045045 k( 152) = ( 0.0757576 0.0000000 0.0757576), wk = 0.0045045 k( 153) = ( 0.0606061 0.0000000 0.0606061), wk = 0.0045045 k( 154) = ( 0.0454546 0.0000000 0.0454545), wk = 0.0045045 k( 155) = ( 0.0303030 0.0000000 0.0303030), wk = 0.0045045 k( 156) = ( 0.0151515 0.0000000 0.0151515), wk = 0.0045045 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 k( 159) = ( 0.0000000 0.0151515 0.0151515), wk = 0.0045045 k( 160) = ( 0.0000000 0.0303030 0.0303030), wk = 0.0045045 k( 161) = ( 0.0000000 0.0454546 0.0454545), wk = 0.0045045 k( 162) = ( 0.0000000 0.0606061 0.0606061), wk = 0.0045045 k( 163) = ( 0.0000000 0.0757576 0.0757576), wk = 0.0045045 k( 164) = ( 0.0000000 0.0909091 0.0909091), wk = 0.0045045 k( 165) = ( 0.0000000 0.1060606 0.1060606), wk = 0.0045045 k( 166) = ( 0.0000000 0.1212121 0.1212121), wk = 0.0045045 k( 167) = ( 0.0000000 0.1363636 0.1363636), wk = 0.0045045 k( 168) = ( 0.0000000 0.1515151 0.1515151), wk = 0.0045045 k( 169) = ( 0.0000000 0.1666667 0.1666667), wk = 0.0045045 k( 170) = ( 0.0000000 0.1818182 0.1818182), wk = 0.0045045 k( 171) = ( 0.0000000 0.1969697 0.1969697), wk = 0.0045045 k( 172) = ( 0.0000000 0.2121212 0.2121212), wk = 0.0045045 k( 173) = ( 0.0000000 0.2272727 0.2272727), wk = 0.0045045 k( 174) = ( 0.0000000 0.2424242 0.2424242), wk = 0.0045045 k( 175) = ( 0.0000000 0.2575758 0.2575758), wk = 0.0045045 k( 176) = ( 0.0000000 0.2727273 0.2727273), wk = 0.0045045 k( 177) = ( 0.0000000 0.2878788 0.2878788), wk = 0.0045045 k( 178) = ( 0.0000000 0.3030303 0.3030303), wk = 0.0045045 k( 179) = ( 0.0000000 0.3181818 0.3181818), wk = 0.0045045 k( 180) = ( 0.0000000 0.3333333 0.3333333), wk = 0.0045045 k( 181) = ( 0.0000000 0.3484849 0.3484848), wk = 0.0045045 k( 182) = ( 0.0000000 0.3636364 0.3636364), wk = 0.0045045 k( 183) = ( 0.0000000 0.3787879 0.3787879), wk = 0.0045045 k( 184) = ( 0.0000000 0.3939394 0.3939394), wk = 0.0045045 k( 185) = ( 0.0000000 0.4090909 0.4090909), wk = 0.0045045 k( 186) = ( 0.0000000 0.4242424 0.4242424), wk = 0.0045045 k( 187) = ( 0.0000000 0.4393939 0.4393939), wk = 0.0045045 k( 188) = ( 0.0000000 0.4545455 0.4545454), wk = 0.0045045 k( 189) = ( 0.0000000 0.4696970 0.4696970), wk = 0.0045045 k( 190) = ( 0.0000000 0.4848485 0.4848485), wk = 0.0045045 k( 191) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0045045 k( 192) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0045045 k( 193) = ( 0.4833333 0.4833333 0.4833333), wk = 0.0045045 k( 194) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0045045 k( 195) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0045045 k( 196) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0045045 k( 197) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0045045 k( 198) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0045045 k( 199) = ( 0.3833333 0.3833333 0.3833333), wk = 0.0045045 k( 200) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0045045 k( 201) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0045045 k( 202) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0045045 k( 203) = ( 0.3166667 0.3166667 0.3166667), wk = 0.0045045 k( 204) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0045045 k( 205) = ( 0.2833333 0.2833333 0.2833333), wk = 0.0045045 k( 206) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0045045 k( 207) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0045045 k( 208) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0045045 k( 209) = ( 0.2166667 0.2166667 0.2166667), wk = 0.0045045 k( 210) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0045045 k( 211) = ( 0.1833333 0.1833333 0.1833333), wk = 0.0045045 k( 212) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0045045 k( 213) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0045045 k( 214) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0045045 k( 215) = ( 0.1166667 0.1166667 0.1166667), wk = 0.0045045 k( 216) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0045045 k( 217) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0045045 k( 218) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0045045 k( 219) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0045045 k( 220) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0045045 k( 221) = ( 0.0166667 0.0166667 0.0166667), wk = 0.0045045 k( 222) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045045 Dense grid: 351559 G-vectors FFT dimensions: ( 96, 96, 108) Smooth grid: 76259 G-vectors FFT dimensions: ( 60, 60, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.50 Mb ( 412, 80) NL pseudopotentials 0.48 Mb ( 206, 152) Each V/rho on FFT grid 0.42 Mb ( 27648) Each G-vector array 0.06 Mb ( 7326) G-vector shells 0.06 Mb ( 7282) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.01 Mb ( 412, 320) Each subspace H/S matrix 1.56 Mb ( 320, 320) Each matrix 0.37 Mb ( 152, 2, 80) The potential is recalculated from file : ./TiBr3.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.4 secs Computing kpt #: 2 total cpu time spent up to now is 49.4 secs Computing kpt #: 3 total cpu time spent up to now is 55.5 secs Computing kpt #: 4 total cpu time spent up to now is 61.5 secs Computing kpt #: 5 total cpu time spent up to now is 67.4 secs Computing kpt #: 6 total cpu time spent up to now is 73.4 secs Computing kpt #: 7 total cpu time spent up to now is 79.3 secs Computing kpt #: 8 total cpu time spent up to now is 85.3 secs Computing kpt #: 9 total cpu time spent up to now is 91.3 secs Computing kpt #: 10 total cpu time spent up to now is 97.3 secs Computing kpt #: 11 total cpu time spent up to now is 102.9 secs Computing kpt #: 12 total cpu time spent up to now is 108.8 secs Computing kpt #: 13 total cpu time spent up to now is 114.7 secs Computing kpt #: 14 total cpu time spent up to now is 120.6 secs Computing kpt #: 15 total cpu time spent up to now is 126.5 secs Computing kpt #: 16 total cpu time spent up to now is 132.6 secs Computing kpt #: 17 total cpu time spent up to now is 138.6 secs Computing kpt #: 18 total cpu time spent up to now is 144.6 secs Computing kpt #: 19 total cpu time spent up to now is 150.6 secs Computing kpt #: 20 total cpu time spent up to now is 156.8 secs Computing kpt #: 21 total cpu time spent up to now is 162.8 secs Computing kpt #: 22 total cpu time spent up to now is 168.9 secs Computing kpt #: 23 total cpu time spent up to now is 174.6 secs Computing kpt #: 24 total cpu time spent up to now is 180.4 secs Computing kpt #: 25 total cpu time spent up to now is 186.2 secs Computing kpt #: 26 total cpu time spent up to now is 192.5 secs Computing kpt #: 27 total cpu time spent up to now is 198.3 secs Computing kpt #: 28 total cpu time spent up to now is 204.2 secs Computing kpt #: 29 total cpu time spent up to now is 210.0 secs Computing kpt #: 30 total cpu time spent up to now is 215.8 secs Computing kpt #: 31 total cpu time spent up to now is 221.6 secs Computing kpt #: 32 total cpu time spent up to now is 227.5 secs Computing kpt #: 33 total cpu time spent up to now is 233.3 secs Computing kpt #: 34 total cpu time spent up to now is 239.2 secs Computing kpt #: 35 total cpu time spent up to now is 245.1 secs Computing kpt #: 36 total cpu time spent up to now is 250.8 secs Computing kpt #: 37 total cpu time spent up to now is 256.5 secs Computing kpt #: 38 total cpu time spent up to now is 262.5 secs Computing kpt #: 39 total cpu time spent up to now is 268.5 secs Computing kpt #: 40 total cpu time spent up to now is 274.5 secs Computing kpt #: 41 total cpu time spent up to now is 280.6 secs Computing kpt #: 42 total cpu time spent up to now is 286.6 secs Computing kpt #: 43 total cpu time spent up to now is 292.5 secs Computing kpt #: 44 total cpu time spent up to now is 298.3 secs Computing kpt #: 45 total cpu time spent up to now is 304.1 secs Computing kpt #: 46 total cpu time spent up to now is 310.0 secs Computing kpt #: 47 total cpu time spent up to now is 315.8 secs Computing kpt #: 48 total cpu time spent up to now is 321.7 secs Computing kpt #: 49 total cpu time spent up to now is 327.6 secs Computing kpt #: 50 total cpu time spent up to now is 333.5 secs Computing kpt #: 51 total cpu time spent up to now is 339.0 secs Computing kpt #: 52 total cpu time spent up to now is 344.8 secs Computing kpt #: 53 total cpu time spent up to now is 350.6 secs Computing kpt #: 54 total cpu time spent up to now is 356.7 secs Computing kpt #: 55 total cpu time spent up to now is 362.5 secs Computing kpt #: 56 total cpu time spent up to now is 368.5 secs Computing kpt #: 57 total cpu time spent up to now is 374.5 secs Computing kpt #: 58 total cpu time spent up to now is 380.4 secs Computing kpt #: 59 total cpu time spent up to now is 386.4 secs Computing kpt #: 60 total cpu time spent up to now is 392.2 secs Computing kpt #: 61 total cpu time spent up to now is 398.1 secs Computing kpt #: 62 total cpu time spent up to now is 404.0 secs Computing kpt #: 63 total cpu time spent up to now is 409.4 secs Computing kpt #: 64 total cpu time spent up to now is 414.5 secs Computing kpt #: 65 total cpu time spent up to now is 419.6 secs Computing kpt #: 66 total cpu time spent up to now is 424.7 secs Computing kpt #: 67 total cpu time spent up to now is 429.7 secs Computing kpt #: 68 total cpu time spent up to now is 434.9 secs Computing kpt #: 69 total cpu time spent up to now is 440.4 secs Computing kpt #: 70 total cpu time spent up to now is 446.0 secs Computing kpt #: 71 total cpu time spent up to now is 451.6 secs Computing kpt #: 72 total cpu time spent up to now is 457.3 secs Computing kpt #: 73 total cpu time spent up to now is 463.0 secs Computing kpt #: 74 total cpu time spent up to now is 468.6 secs Computing kpt #: 75 total cpu time spent up to now is 474.3 secs Computing kpt #: 76 total cpu time spent up to now is 479.9 secs Computing kpt #: 77 total cpu time spent up to now is 485.5 secs Computing kpt #: 78 total cpu time spent up to now is 491.5 secs Computing kpt #: 79 total cpu time spent up to now is 497.6 secs Computing kpt #: 80 total cpu time spent up to now is 503.7 secs Computing kpt #: 81 total cpu time spent up to now is 509.8 secs Computing kpt #: 82 total cpu time spent up to now is 515.9 secs Computing kpt #: 83 total cpu time spent up to now is 521.9 secs Computing kpt #: 84 total cpu time spent up to now is 527.9 secs Computing kpt #: 85 total cpu time spent up to now is 534.1 secs Computing kpt #: 86 total cpu time spent up to now is 540.2 secs Computing kpt #: 87 total cpu time spent up to now is 546.3 secs Computing kpt #: 88 total cpu time spent up to now is 552.1 secs Computing kpt #: 89 total cpu time spent up to now is 558.2 secs Computing kpt #: 90 total cpu time spent up to now is 564.5 secs Computing kpt #: 91 total cpu time spent up to now is 570.3 secs Computing kpt #: 92 total cpu time spent up to now is 576.2 secs Computing kpt #: 93 total cpu time spent up to now is 582.1 secs Computing kpt #: 94 total cpu time spent up to now is 587.9 secs Computing kpt #: 95 total cpu time spent up to now is 593.9 secs Computing kpt #: 96 total cpu time spent up to now is 599.8 secs Computing kpt #: 97 total cpu time spent up to now is 605.6 secs Computing kpt #: 98 total cpu time spent up to now is 611.5 secs Computing kpt #: 99 total cpu time spent up to now is 617.3 secs Computing kpt #: 100 total cpu time spent up to now is 623.2 secs Computing kpt #: 101 total cpu time spent up to now is 629.0 secs Computing kpt #: 102 total cpu time spent up to now is 634.8 secs Computing kpt #: 103 total cpu time spent up to now is 640.5 secs Computing kpt #: 104 total cpu time spent up to now is 646.2 secs Computing kpt #: 105 total cpu time spent up to now is 651.9 secs Computing kpt #: 106 total cpu time spent up to now is 657.9 secs Computing kpt #: 107 total cpu time spent up to now is 663.5 secs Computing kpt #: 108 total cpu time spent up to now is 669.2 secs Computing kpt #: 109 total cpu time spent up to now is 674.7 secs Computing kpt #: 110 total cpu time spent up to now is 680.3 secs Computing kpt #: 111 total cpu time spent up to now is 686.0 secs Computing kpt #: 112 total cpu time spent up to now is 691.6 secs Computing kpt #: 113 total cpu time spent up to now is 697.2 secs Computing kpt #: 114 total cpu time spent up to now is 702.9 secs Computing kpt #: 115 total cpu time spent up to now is 708.6 secs Computing kpt #: 116 total cpu time spent up to now is 714.3 secs Computing kpt #: 117 total cpu time spent up to now is 720.0 secs Computing kpt #: 118 total cpu time spent up to now is 725.7 secs Computing kpt #: 119 total cpu time spent up to now is 731.5 secs Computing kpt #: 120 total cpu time spent up to now is 737.3 secs Computing kpt #: 121 total cpu time spent up to now is 743.3 secs Computing kpt #: 122 total cpu time spent up to now is 749.8 secs Computing kpt #: 123 total cpu time spent up to now is 755.6 secs Computing kpt #: 124 total cpu time spent up to now is 760.8 secs Computing kpt #: 125 total cpu time spent up to now is 765.9 secs Computing kpt #: 126 total cpu time spent up to now is 771.0 secs Computing kpt #: 127 total cpu time spent up to now is 776.3 secs Computing kpt #: 128 total cpu time spent up to now is 781.7 secs Computing kpt #: 129 total cpu time spent up to now is 787.3 secs Computing kpt #: 130 total cpu time spent up to now is 792.9 secs Computing kpt #: 131 total cpu time spent up to now is 798.5 secs Computing kpt #: 132 total cpu time spent up to now is 804.0 secs Computing kpt #: 133 total cpu time spent up to now is 809.6 secs Computing kpt #: 134 total cpu time spent up to now is 815.3 secs Computing kpt #: 135 total cpu time spent up to now is 821.1 secs Computing kpt #: 136 total cpu time spent up to now is 826.8 secs Computing kpt #: 137 total cpu time spent up to now is 832.5 secs Computing kpt #: 138 total cpu time spent up to now is 838.9 secs Computing kpt #: 139 total cpu time spent up to now is 845.0 secs Computing kpt #: 140 total cpu time spent up to now is 850.8 secs Computing kpt #: 141 total cpu time spent up to now is 857.1 secs Computing kpt #: 142 total cpu time spent up to now is 863.1 secs Computing kpt #: 143 total cpu time spent up to now is 869.2 secs Computing kpt #: 144 total cpu time spent up to now is 874.9 secs Computing kpt #: 145 total cpu time spent up to now is 880.8 secs Computing kpt #: 146 total cpu time spent up to now is 886.8 secs Computing kpt #: 147 total cpu time spent up to now is 893.0 secs Computing kpt #: 148 total cpu time spent up to now is 899.0 secs Computing kpt #: 149 total cpu time spent up to now is 904.7 secs Computing kpt #: 150 total cpu time spent up to now is 910.7 secs Computing kpt #: 151 total cpu time spent up to now is 916.4 secs Computing kpt #: 152 total cpu time spent up to now is 922.2 secs Computing kpt #: 153 total cpu time spent up to now is 928.0 secs Computing kpt #: 154 total cpu time spent up to now is 933.8 secs Computing kpt #: 155 total cpu time spent up to now is 939.7 secs Computing kpt #: 156 total cpu time spent up to now is 945.7 secs Computing kpt #: 157 total cpu time spent up to now is 951.5 secs Computing kpt #: 158 total cpu time spent up to now is 957.4 secs Computing kpt #: 159 total cpu time spent up to now is 963.2 secs Computing kpt #: 160 total cpu time spent up to now is 969.2 secs Computing kpt #: 161 total cpu time spent up to now is 975.0 secs Computing kpt #: 162 total cpu time spent up to now is 980.9 secs Computing kpt #: 163 total cpu time spent up to now is 986.8 secs Computing kpt #: 164 total cpu time spent up to now is 992.6 secs Computing kpt #: 165 total cpu time spent up to now is 998.9 secs Computing kpt #: 166 total cpu time spent up to now is 1005.1 secs Computing kpt #: 167 total cpu time spent up to now is 1011.4 secs Computing kpt #: 168 total cpu time spent up to now is 1017.8 secs Computing kpt #: 169 total cpu time spent up to now is 1024.0 secs Computing kpt #: 170 total cpu time spent up to now is 1030.2 secs Computing kpt #: 171 total cpu time spent up to now is 1036.4 secs Computing kpt #: 172 total cpu time spent up to now is 1042.7 secs Computing kpt #: 173 total cpu time spent up to now is 1048.9 secs Computing kpt #: 174 total cpu time spent up to now is 1055.4 secs Computing kpt #: 175 total cpu time spent up to now is 1061.4 secs Computing kpt #: 176 total cpu time spent up to now is 1067.7 secs Computing kpt #: 177 total cpu time spent up to now is 1073.8 secs Computing kpt #: 178 total cpu time spent up to now is 1079.9 secs Computing kpt #: 179 total cpu time spent up to now is 1086.0 secs Computing kpt #: 180 total cpu time spent up to now is 1092.1 secs Computing kpt #: 181 total cpu time spent up to now is 1098.1 secs Computing kpt #: 182 total cpu time spent up to now is 1104.1 secs Computing kpt #: 183 total cpu time spent up to now is 1110.2 secs Computing kpt #: 184 total cpu time spent up to now is 1115.9 secs Computing kpt #: 185 total cpu time spent up to now is 1121.6 secs Computing kpt #: 186 total cpu time spent up to now is 1127.3 secs Computing kpt #: 187 total cpu time spent up to now is 1133.0 secs Computing kpt #: 188 total cpu time spent up to now is 1138.7 secs Computing kpt #: 189 total cpu time spent up to now is 1144.4 secs Computing kpt #: 190 total cpu time spent up to now is 1150.0 secs Computing kpt #: 191 total cpu time spent up to now is 1155.7 secs Computing kpt #: 192 total cpu time spent up to now is 1161.9 secs Computing kpt #: 193 total cpu time spent up to now is 1167.7 secs Computing kpt #: 194 total cpu time spent up to now is 1173.9 secs Computing kpt #: 195 total cpu time spent up to now is 1180.0 secs Computing kpt #: 196 total cpu time spent up to now is 1186.2 secs Computing kpt #: 197 total cpu time spent up to now is 1192.4 secs Computing kpt #: 198 total cpu time spent up to now is 1198.6 secs Computing kpt #: 199 total cpu time spent up to now is 1204.8 secs Computing kpt #: 200 total cpu time spent up to now is 1210.8 secs Computing kpt #: 201 total cpu time spent up to now is 1216.4 secs Computing kpt #: 202 total cpu time spent up to now is 1222.0 secs Computing kpt #: 203 total cpu time spent up to now is 1228.0 secs Computing kpt #: 204 total cpu time spent up to now is 1233.7 secs Computing kpt #: 205 total cpu time spent up to now is 1239.6 secs Computing kpt #: 206 total cpu time spent up to now is 1245.5 secs Computing kpt #: 207 total cpu time spent up to now is 1251.5 secs Computing kpt #: 208 total cpu time spent up to now is 1257.7 secs Computing kpt #: 209 total cpu time spent up to now is 1263.3 secs Computing kpt #: 210 total cpu time spent up to now is 1269.2 secs Computing kpt #: 211 total cpu time spent up to now is 1275.2 secs Computing kpt #: 212 total cpu time spent up to now is 1281.3 secs Computing kpt #: 213 total cpu time spent up to now is 1287.4 secs Computing kpt #: 214 total cpu time spent up to now is 1293.4 secs Computing kpt #: 215 total cpu time spent up to now is 1299.5 secs Computing kpt #: 216 total cpu time spent up to now is 1305.3 secs Computing kpt #: 217 total cpu time spent up to now is 1311.1 secs Computing kpt #: 218 total cpu time spent up to now is 1317.0 secs Computing kpt #: 219 total cpu time spent up to now is 1322.9 secs Computing kpt #: 220 total cpu time spent up to now is 1328.9 secs Computing kpt #: 221 total cpu time spent up to now is 1334.7 secs Computing kpt #: 222 total cpu time spent up to now is 1340.6 secs ethr = 1.52E-11, avg # of iterations = 34.1 total cpu time spent up to now is 1340.8 secs End of band structure calculation k = 0.5000-0.2873-0.1708 ( 9550 PWs) bands (ev): -52.7189 -52.7189 -52.7177 -52.7177 -29.4157 -29.4157 -29.4102 -29.4102 -28.8012 -28.8012 -28.7918 -28.7918 -28.6941 -28.6941 -28.6923 -28.6923 -10.3435 -10.3435 -10.1793 -10.1793 -9.9667 -9.9667 -9.8956 -9.8956 -9.8417 -9.8417 -9.8293 -9.8293 -0.2200 -0.2200 0.2485 0.2485 0.3140 0.3140 0.7541 0.7541 0.7822 0.7822 1.1980 1.1980 1.2337 1.2337 1.4242 1.4242 1.5329 1.5329 1.7353 1.7353 1.7999 1.7999 2.2225 2.2225 2.4434 2.4434 2.6481 2.6481 2.7556 2.7556 2.9586 2.9586 3.0266 3.0266 3.2791 3.2791 5.4864 5.4864 5.5468 5.5468 5.9274 5.9274 5.9598 5.9598 6.1909 6.1909 6.2119 6.2119 7.0812 7.0812 7.3303 7.3303 k = 0.4833-0.2777-0.1651 ( 9549 PWs) bands (ev): -52.7189 -52.7189 -52.7177 -52.7177 -29.4157 -29.4157 -29.4101 -29.4101 -28.8013 -28.8013 -28.7918 -28.7918 -28.6941 -28.6941 -28.6923 -28.6923 -10.3463 -10.3463 -10.1767 -10.1767 -9.9666 -9.9666 -9.8956 -9.8956 -9.8417 -9.8417 -9.8291 -9.8291 -0.2194 -0.2194 0.2467 0.2467 0.3141 0.3141 0.7462 0.7462 0.7864 0.7864 1.1903 1.1903 1.2430 1.2430 1.4262 1.4262 1.5354 1.5354 1.7346 1.7346 1.7997 1.7997 2.2248 2.2248 2.4419 2.4419 2.6451 2.6451 2.7543 2.7543 2.9573 2.9573 3.0301 3.0301 3.2796 3.2796 5.4876 5.4876 5.5474 5.5474 5.9266 5.9266 5.9604 5.9604 6.1906 6.1906 6.2114 6.2114 7.0815 7.0815 7.3294 7.3294 k = 0.4667-0.2681-0.1594 ( 9561 PWs) bands (ev): -52.7189 -52.7189 -52.7177 -52.7177 -29.4158 -29.4158 -29.4101 -29.4101 -28.8014 -28.8014 -28.7917 -28.7917 -28.6941 -28.6941 -28.6923 -28.6923 -10.3541 -10.3541 -10.1691 -10.1691 -9.9662 -9.9662 -9.8958 -9.8958 -9.8418 -9.8418 -9.8284 -9.8284 -0.2177 -0.2177 0.2410 0.2410 0.3147 0.3147 0.7301 0.7301 0.7913 0.7913 1.1789 1.1789 1.2596 1.2596 1.4314 1.4314 1.5427 1.5427 1.7321 1.7321 1.8001 1.8001 2.2310 2.2310 2.4375 2.4375 2.6363 2.6363 2.7503 2.7503 2.9546 2.9546 3.0394 3.0394 3.2813 3.2813 5.4912 5.4912 5.5492 5.5492 5.9244 5.9244 5.9619 5.9619 6.1896 6.1896 6.2098 6.2098 7.0824 7.0824 7.3269 7.3269 k = 0.4500-0.2586-0.1538 ( 9558 PWs) bands (ev): -52.7189 -52.7189 -52.7176 -52.7176 -29.4159 -29.4159 -29.4100 -29.4100 -28.8015 -28.8015 -28.7915 -28.7915 -28.6941 -28.6941 -28.6923 -28.6923 -10.3659 -10.3659 -10.1580 -10.1580 -9.9654 -9.9654 -9.8960 -9.8960 -9.8418 -9.8418 -9.8273 -9.8273 -0.2149 -0.2149 0.2313 0.2313 0.3163 0.3163 0.7115 0.7115 0.7911 0.7911 1.1720 1.1720 1.2758 1.2758 1.4377 1.4377 1.5546 1.5546 1.7265 1.7265 1.8046 1.8046 2.2401 2.2401 2.4304 2.4304 2.6225 2.6225 2.7438 2.7438 2.9523 2.9523 3.0522 3.0522 3.2842 3.2842 5.4970 5.4970 5.5521 5.5521 5.9209 5.9209 5.9641 5.9641 6.1880 6.1880 6.2072 6.2072 7.0840 7.0840 7.3229 7.3229 k = 0.4333-0.2490-0.1481 ( 9559 PWs) bands (ev): -52.7190 -52.7190 -52.7176 -52.7176 -29.4160 -29.4160 -29.4098 -29.4098 -28.8017 -28.8017 -28.7913 -28.7913 -28.6941 -28.6941 -28.6923 -28.6923 -10.3803 -10.3803 -10.1445 -10.1445 -9.9644 -9.9644 -9.8963 -9.8963 -9.8418 -9.8418 -9.8260 -9.8260 -0.2109 -0.2109 0.2177 0.2177 0.3191 0.3191 0.6922 0.6922 0.7847 0.7847 1.1716 1.1716 1.2895 1.2895 1.4435 1.4435 1.5690 1.5690 1.7174 1.7174 1.8170 1.8170 2.2501 2.2501 2.4213 2.4213 2.6044 2.6044 2.7352 2.7352 2.9514 2.9514 3.0666 3.0666 3.2886 3.2886 5.5050 5.5050 5.5562 5.5562 5.9166 5.9166 5.9666 5.9666 6.1857 6.1857 6.2037 6.2037 7.0863 7.0863 7.3176 7.3176 k = 0.4167-0.2394-0.1424 ( 9563 PWs) bands (ev): -52.7190 -52.7190 -52.7176 -52.7176 -29.4162 -29.4162 -29.4096 -29.4096 -28.8020 -28.8020 -28.7911 -28.7911 -28.6942 -28.6942 -28.6923 -28.6923 -10.3963 -10.3963 -10.1296 -10.1296 -9.9630 -9.9630 -9.8966 -9.8966 -9.8416 -9.8416 -9.8244 -9.8244 -0.2060 -0.2060 0.2004 0.2004 0.3233 0.3233 0.6731 0.6731 0.7726 0.7726 1.1773 1.1773 1.3005 1.3005 1.4486 1.4486 1.5814 1.5814 1.7068 1.7068 1.8399 1.8399 2.2584 2.2584 2.4110 2.4110 2.5829 2.5829 2.7259 2.7259 2.9524 2.9524 3.0816 3.0816 3.2948 3.2948 5.5149 5.5149 5.5614 5.5614 5.9116 5.9116 5.9694 5.9694 6.1825 6.1825 6.1994 6.1994 7.0892 7.0892 7.3113 7.3113 k = 0.4000-0.2298-0.1367 ( 9558 PWs) bands (ev): -52.7190 -52.7190 -52.7176 -52.7176 -29.4164 -29.4164 -29.4094 -29.4094 -28.8023 -28.8023 -28.7908 -28.7908 -28.6942 -28.6942 -28.6923 -28.6923 -10.4134 -10.4134 -10.1141 -10.1141 -9.9613 -9.9613 -9.8969 -9.8969 -9.8412 -9.8412 -9.8227 -9.8227 -0.2000 -0.2000 0.1801 0.1801 0.3289 0.3289 0.6547 0.6547 0.7564 0.7564 1.1872 1.1872 1.3087 1.3087 1.4538 1.4538 1.5867 1.5867 1.6979 1.6979 1.8740 1.8740 2.2623 2.2623 2.4007 2.4007 2.5585 2.5585 2.7172 2.7172 2.9549 2.9549 3.0962 3.0962 3.3029 3.3029 5.5263 5.5263 5.5678 5.5678 5.9060 5.9060 5.9721 5.9721 6.1785 6.1785 6.1945 6.1945 7.0928 7.0928 7.3044 7.3044 k = 0.3833-0.2202-0.1310 ( 9554 PWs) bands (ev): -52.7190 -52.7190 -52.7175 -52.7175 -29.4166 -29.4166 -29.4092 -29.4092 -28.8026 -28.8026 -28.7905 -28.7905 -28.6942 -28.6942 -28.6922 -28.6922 -10.4310 -10.4310 -10.0985 -10.0985 -9.9593 -9.9593 -9.8971 -9.8971 -9.8407 -9.8407 -9.8209 -9.8209 -0.1930 -0.1930 0.1574 0.1574 0.3359 0.3359 0.6370 0.6370 0.7379 0.7379 1.1986 1.1986 1.3146 1.3146 1.4598 1.4598 1.5821 1.5821 1.6932 1.6932 1.9185 1.9185 2.2591 2.2591 2.3912 2.3912 2.5322 2.5322 2.7111 2.7111 2.9588 2.9588 3.1102 3.1102 3.3132 3.3132 5.5389 5.5389 5.5753 5.5753 5.8999 5.8999 5.9747 5.9747 6.1734 6.1734 6.1892 6.1892 7.0971 7.0971 7.2971 7.2971 k = 0.3667-0.2107-0.1253 ( 9553 PWs) bands (ev): -52.7191 -52.7191 -52.7175 -52.7175 -29.4169 -29.4169 -29.4090 -29.4090 -28.8029 -28.8029 -28.7901 -28.7901 -28.6942 -28.6942 -28.6922 -28.6922 -10.4489 -10.4489 -10.0833 -10.0833 -9.9567 -9.9567 -9.8972 -9.8972 -9.8399 -9.8399 -9.8190 -9.8190 -0.1851 -0.1851 0.1329 0.1329 0.3440 0.3440 0.6201 0.6201 0.7188 0.7188 1.2082 1.2082 1.3196 1.3196 1.4671 1.4671 1.5692 1.5692 1.6928 1.6928 1.9709 1.9709 2.2478 2.2478 2.3821 2.3821 2.5050 2.5050 2.7091 2.7091 2.9637 2.9637 3.1235 3.1235 3.3256 3.3256 5.5520 5.5520 5.5843 5.5843 5.8934 5.8934 5.9773 5.9773 6.1670 6.1670 6.1837 6.1837 7.1022 7.1022 7.2898 7.2898 k = 0.3500-0.2011-0.1196 ( 9553 PWs) bands (ev): -52.7191 -52.7191 -52.7174 -52.7174 -29.4171 -29.4171 -29.4087 -29.4087 -28.8032 -28.8032 -28.7898 -28.7898 -28.6943 -28.6943 -28.6922 -28.6922 -10.4667 -10.4667 -10.0688 -10.0688 -9.9537 -9.9537 -9.8970 -9.8970 -9.8389 -9.8389 -9.8171 -9.8171 -0.1763 -0.1763 0.1074 0.1074 0.3533 0.3533 0.6042 0.6042 0.7002 0.7002 1.2125 1.2125 1.3259 1.3259 1.4749 1.4749 1.5520 1.5520 1.6950 1.6950 2.0281 2.0281 2.2291 2.2291 2.3714 2.3714 2.4785 2.4785 2.7122 2.7122 2.9696 2.9696 3.1361 3.1361 3.3399 3.3399 5.5652 5.5652 5.5949 5.5949 5.8864 5.8864 5.9796 5.9796 6.1592 6.1592 6.1784 6.1784 7.1080 7.1080 7.2829 7.2829 k = 0.3333-0.1915-0.1139 ( 9550 PWs) bands (ev): -52.7192 -52.7192 -52.7174 -52.7174 -29.4173 -29.4173 -29.4085 -29.4085 -28.8036 -28.8036 -28.7894 -28.7894 -28.6943 -28.6943 -28.6922 -28.6922 -10.4844 -10.4844 -10.0554 -10.0554 -9.9499 -9.9499 -9.8966 -9.8966 -9.8377 -9.8377 -9.8153 -9.8153 -0.1668 -0.1668 0.0814 0.0814 0.3635 0.3635 0.5892 0.5892 0.6831 0.6831 1.2089 1.2089 1.3355 1.3355 1.4796 1.4796 1.5364 1.5364 1.6986 1.6986 2.0854 2.0854 2.2058 2.2058 2.3574 2.3574 2.4547 2.4547 2.7209 2.7209 2.9763 2.9763 3.1485 3.1485 3.3557 3.3557 5.5776 5.5776 5.6074 5.6074 5.8791 5.8791 5.9817 5.9817 6.1501 6.1501 6.1731 6.1731 7.1146 7.1146 7.2766 7.2766 k = 0.3167-0.1819-0.1082 ( 9554 PWs) bands (ev): -52.7192 -52.7192 -52.7174 -52.7174 -29.4176 -29.4176 -29.4082 -29.4082 -28.8040 -28.8040 -28.7890 -28.7890 -28.6944 -28.6944 -28.6921 -28.6921 -10.5017 -10.5017 -10.0433 -10.0433 -9.9455 -9.9455 -9.8960 -9.8960 -9.8362 -9.8362 -9.8135 -9.8135 -0.1566 -0.1566 0.0555 0.0555 0.3747 0.3747 0.5753 0.5753 0.6680 0.6680 1.1970 1.1970 1.3483 1.3483 1.4739 1.4739 1.5310 1.5310 1.7030 1.7030 2.1297 2.1297 2.1874 2.1874 2.3413 2.3413 2.4355 2.4355 2.7346 2.7346 2.9836 2.9836 3.1611 3.1611 3.3728 3.3728 5.5890 5.5890 5.6218 5.6218 5.8714 5.8714 5.9836 5.9836 6.1399 6.1399 6.1679 6.1679 7.1219 7.1219 7.2713 7.2713 k = 0.3000-0.1724-0.1025 ( 9558 PWs) bands (ev): -52.7193 -52.7193 -52.7173 -52.7173 -29.4178 -29.4178 -29.4080 -29.4080 -28.8043 -28.8043 -28.7887 -28.7887 -28.6944 -28.6944 -28.6921 -28.6921 -10.5186 -10.5186 -10.0329 -10.0329 -9.9401 -9.9401 -9.8950 -9.8950 -9.8345 -9.8345 -9.8117 -9.8117 -0.1460 -0.1460 0.0301 0.0301 0.3866 0.3866 0.5628 0.5628 0.6552 0.6552 1.1780 1.1780 1.3625 1.3625 1.4573 1.4573 1.5371 1.5371 1.7080 1.7080 2.1241 2.1241 2.2013 2.2013 2.3298 2.3298 2.4240 2.4240 2.7527 2.7527 2.9917 2.9917 3.1745 3.1745 3.3906 3.3906 5.5996 5.5996 5.6375 5.6375 5.8635 5.8635 5.9851 5.9851 6.1288 6.1288 6.1627 6.1627 7.1299 7.1299 7.2672 7.2672 k = 0.2833-0.1628-0.0968 ( 9549 PWs) bands (ev): -52.7193 -52.7193 -52.7173 -52.7173 -29.4181 -29.4181 -29.4077 -29.4077 -28.8047 -28.8047 -28.7883 -28.7883 -28.6944 -28.6944 -28.6921 -28.6921 -10.5350 -10.5350 -10.0243 -10.0243 -9.9339 -9.9339 -9.8937 -9.8937 -9.8325 -9.8325 -9.8101 -9.8101 -0.1352 -0.1352 0.0059 0.0059 0.3992 0.3992 0.5519 0.5519 0.6447 0.6447 1.1537 1.1537 1.3741 1.3741 1.4388 1.4388 1.5481 1.5481 1.7135 1.7135 2.0922 2.0922 2.2089 2.2089 2.3286 2.3286 2.4301 2.4301 2.7740 2.7740 3.0003 3.0003 3.1892 3.1892 3.4088 3.4088 5.6096 5.6096 5.6540 5.6540 5.8553 5.8553 5.9863 5.9863 6.1168 6.1168 6.1575 6.1575 7.1386 7.1386 7.2646 7.2646 k = 0.2667-0.1532-0.0911 ( 9541 PWs) bands (ev): -52.7193 -52.7193 -52.7172 -52.7172 -29.4183 -29.4183 -29.4075 -29.4075 -28.8050 -28.8050 -28.7880 -28.7880 -28.6945 -28.6945 -28.6920 -28.6920 -10.5508 -10.5508 -10.0174 -10.0174 -9.9270 -9.9270 -9.8922 -9.8922 -9.8302 -9.8302 -9.8085 -9.8085 -0.1250 -0.1250 -0.0163 -0.0163 0.4122 0.4122 0.5428 0.5428 0.6366 0.6366 1.1251 1.1251 1.3750 1.3750 1.4293 1.4293 1.5603 1.5603 1.7194 1.7194 2.0553 2.0553 2.1931 2.1931 2.3237 2.3237 2.4644 2.4644 2.7975 2.7975 3.0096 3.0096 3.2057 3.2057 3.4270 3.4270 5.6192 5.6192 5.6707 5.6707 5.8471 5.8471 5.9871 5.9871 6.1042 6.1042 6.1523 6.1523 7.1479 7.1479 7.2636 7.2636 k = 0.2500-0.1436-0.0854 ( 9534 PWs) bands (ev): -52.7194 -52.7194 -52.7172 -52.7172 -29.4185 -29.4185 -29.4072 -29.4072 -28.8053 -28.8053 -28.7876 -28.7876 -28.6945 -28.6945 -28.6920 -28.6920 -10.5659 -10.5659 -10.0121 -10.0121 -9.9195 -9.9195 -9.8902 -9.8902 -9.8277 -9.8277 -9.8071 -9.8071 -0.1167 -0.1167 -0.0347 -0.0347 0.4255 0.4255 0.5358 0.5358 0.6307 0.6307 1.0932 1.0932 1.3595 1.3595 1.4347 1.4347 1.5725 1.5725 1.7255 1.7255 2.0166 2.0166 2.1667 2.1667 2.3093 2.3093 2.5175 2.5175 2.8223 2.8223 3.0195 3.0195 3.2244 3.2244 3.4450 3.4450 5.6285 5.6285 5.6871 5.6871 5.8389 5.8389 5.9873 5.9873 6.0910 6.0910 6.1473 6.1473 7.1578 7.1578 7.2643 7.2643 k = 0.2333-0.1341-0.0797 ( 9525 PWs) bands (ev): -52.7194 -52.7194 -52.7171 -52.7171 -29.4187 -29.4187 -29.4070 -29.4070 -28.8056 -28.8056 -28.7873 -28.7873 -28.6945 -28.6945 -28.6920 -28.6920 -10.5803 -10.5803 -10.0082 -10.0082 -9.9120 -9.9120 -9.8880 -9.8880 -9.8248 -9.8248 -9.8058 -9.8058 -0.1137 -0.1137 -0.0459 -0.0459 0.4390 0.4390 0.5310 0.5310 0.6271 0.6271 1.0587 1.0587 1.3361 1.3361 1.4467 1.4467 1.5841 1.5841 1.7314 1.7314 1.9777 1.9777 2.1367 2.1367 2.2901 2.2901 2.5767 2.5767 2.8478 2.8478 3.0298 3.0298 3.2455 3.2455 3.4625 3.4625 5.6377 5.6377 5.7029 5.7029 5.8309 5.8309 5.9870 5.9870 6.0775 6.0775 6.1424 6.1424 7.1682 7.1682 7.2667 7.2667 k = 0.2167-0.1245-0.0740 ( 9525 PWs) bands (ev): -52.7194 -52.7194 -52.7171 -52.7171 -29.4189 -29.4189 -29.4068 -29.4068 -28.8059 -28.8059 -28.7870 -28.7870 -28.6945 -28.6945 -28.6919 -28.6919 -10.5939 -10.5939 -10.0054 -10.0054 -9.9046 -9.9046 -9.8855 -9.8855 -9.8216 -9.8216 -9.8046 -9.8046 -0.1196 -0.1196 -0.0462 -0.0462 0.4523 0.4523 0.5284 0.5284 0.6256 0.6256 1.0222 1.0222 1.3102 1.3102 1.4596 1.4596 1.5949 1.5949 1.7368 1.7368 1.9396 1.9396 2.1060 2.1060 2.2689 2.2689 2.6363 2.6363 2.8733 2.8733 3.0407 3.0407 3.2694 3.2694 3.4794 3.4794 5.6466 5.6466 5.7175 5.7175 5.8233 5.8233 5.9860 5.9860 6.0640 6.0640 6.1377 6.1377 7.1792 7.1792 7.2709 7.2709 k = 0.2000-0.1149-0.0683 ( 9522 PWs) bands (ev): -52.7195 -52.7195 -52.7171 -52.7171 -29.4191 -29.4191 -29.4066 -29.4066 -28.8062 -28.8062 -28.7866 -28.7866 -28.6946 -28.6946 -28.6919 -28.6919 -10.6067 -10.6067 -10.0034 -10.0034 -9.8978 -9.8978 -9.8826 -9.8826 -9.8181 -9.8181 -9.8036 -9.8036 -0.1322 -0.1322 -0.0376 -0.0376 0.4652 0.4652 0.5279 0.5279 0.6262 0.6262 0.9846 0.9846 1.2833 1.2833 1.4719 1.4719 1.6047 1.6047 1.7408 1.7408 1.9036 1.9036 2.0755 2.0755 2.2469 2.2469 2.6933 2.6933 2.8983 2.8983 3.0519 3.0519 3.2963 3.2963 3.4956 3.4956 5.6554 5.6554 5.7306 5.7306 5.8165 5.8165 5.9839 5.9839 6.0508 6.0508 6.1333 6.1333 7.1905 7.1905 7.2768 7.2768 k = 0.1833-0.1053-0.0626 ( 9522 PWs) bands (ev): -52.7195 -52.7195 -52.7170 -52.7170 -29.4193 -29.4193 -29.4064 -29.4064 -28.8065 -28.8065 -28.7864 -28.7864 -28.6946 -28.6946 -28.6919 -28.6919 -10.6186 -10.6186 -10.0021 -10.0021 -9.8918 -9.8918 -9.8795 -9.8795 -9.8143 -9.8143 -9.8027 -9.8027 -0.1474 -0.1474 -0.0242 -0.0242 0.4774 0.4774 0.5291 0.5291 0.6290 0.6290 0.9463 0.9463 1.2559 1.2559 1.4829 1.4829 1.6136 1.6136 1.7427 1.7427 1.8712 1.8712 2.0461 2.0461 2.2250 2.2250 2.7463 2.7463 2.9222 2.9222 3.0634 3.0634 3.3261 3.3261 3.5108 3.5108 5.6639 5.6639 5.7415 5.7415 5.8110 5.8110 5.9803 5.9803 6.0385 6.0385 6.1292 6.1292 7.2022 7.2022 7.2842 7.2842 k = 0.1667-0.0958-0.0569 ( 9521 PWs) bands (ev): -52.7195 -52.7195 -52.7170 -52.7170 -29.4194 -29.4194 -29.4062 -29.4062 -28.8067 -28.8067 -28.7861 -28.7861 -28.6946 -28.6946 -28.6919 -28.6919 -10.6296 -10.6296 -10.0013 -10.0013 -9.8867 -9.8867 -9.8761 -9.8761 -9.8104 -9.8104 -9.8019 -9.8019 -0.1628 -0.1628 -0.0082 -0.0082 0.4888 0.4888 0.5317 0.5317 0.6337 0.6337 0.9083 0.9083 1.2281 1.2281 1.4923 1.4923 1.6215 1.6215 1.7409 1.7409 1.8444 1.8444 2.0181 2.0181 2.2035 2.2035 2.7945 2.7945 2.9447 2.9447 3.0749 3.0749 3.3585 3.3585 3.5252 3.5252 5.6722 5.6722 5.7496 5.7496 5.8076 5.8076 5.9748 5.9748 6.0279 6.0279 6.1256 6.1256 7.2141 7.2141 7.2929 7.2929 k = 0.1500-0.0862-0.0513 ( 9521 PWs) bands (ev): -52.7196 -52.7196 -52.7170 -52.7170 -29.4196 -29.4196 -29.4060 -29.4060 -28.8070 -28.8070 -28.7858 -28.7858 -28.6947 -28.6947 -28.6919 -28.6919 -10.6397 -10.6397 -10.0008 -10.0008 -9.8825 -9.8825 -9.8726 -9.8726 -9.8063 -9.8063 -9.8013 -9.8013 -0.1776 -0.1776 0.0094 0.0094 0.4991 0.4991 0.5350 0.5350 0.6403 0.6403 0.8716 0.8716 1.2001 1.2001 1.4998 1.4998 1.6282 1.6282 1.7344 1.7344 1.8250 1.8250 1.9920 1.9920 2.1831 2.1831 2.8374 2.8374 2.9652 2.9652 3.0862 3.0862 3.3929 3.3929 3.5385 3.5385 5.6802 5.6802 5.7542 5.7542 5.8067 5.8067 5.9668 5.9668 6.0197 6.0197 6.1223 6.1223 7.2262 7.2262 7.3026 7.3026 k = 0.1333-0.0766-0.0456 ( 9515 PWs) bands (ev): -52.7196 -52.7196 -52.7170 -52.7170 -29.4197 -29.4197 -29.4059 -29.4059 -28.8072 -28.8072 -28.7856 -28.7856 -28.6947 -28.6947 -28.6919 -28.6919 -10.6487 -10.6487 -10.0006 -10.0006 -9.8790 -9.8790 -9.8692 -9.8692 -9.8025 -9.8025 -9.8005 -9.8005 -0.1912 -0.1912 0.0282 0.0282 0.5081 0.5081 0.5384 0.5384 0.6482 0.6482 0.8374 0.8374 1.1721 1.1721 1.5052 1.5052 1.6335 1.6335 1.7235 1.7235 1.8130 1.8130 1.9680 1.9680 2.1640 2.1640 2.8752 2.8752 2.9835 2.9835 3.0968 3.0968 3.4285 3.4285 3.5509 3.5509 5.6877 5.6877 5.7556 5.7556 5.8083 5.8083 5.9565 5.9565 6.0141 6.0141 6.1195 6.1195 7.2382 7.2382 7.3130 7.3130 k = 0.1167-0.0670-0.0399 ( 9512 PWs) bands (ev): -52.7196 -52.7196 -52.7169 -52.7169 -29.4198 -29.4198 -29.4058 -29.4058 -28.8073 -28.8073 -28.7854 -28.7854 -28.6947 -28.6947 -28.6918 -28.6918 -10.6568 -10.6568 -10.0005 -10.0005 -9.8759 -9.8759 -9.8662 -9.8662 -9.8008 -9.8008 -9.7977 -9.7977 -0.2035 -0.2035 0.0477 0.0477 0.5151 0.5151 0.5417 0.5417 0.6562 0.6562 0.8076 0.8076 1.1441 1.1441 1.5085 1.5085 1.6371 1.6371 1.7114 1.7114 1.8063 1.8063 1.9465 1.9465 2.1466 2.1466 2.9082 2.9082 2.9994 2.9994 3.1066 3.1066 3.4637 3.4637 3.5626 3.5626 5.6945 5.6945 5.7551 5.7551 5.8113 5.8113 5.9445 5.9445 6.0105 6.0105 6.1172 6.1172 7.2500 7.2500 7.3240 7.3240 k = 0.1000-0.0575-0.0342 ( 9503 PWs) bands (ev): -52.7196 -52.7196 -52.7169 -52.7169 -29.4200 -29.4200 -29.4056 -29.4056 -28.8075 -28.8075 -28.7852 -28.7852 -28.6947 -28.6947 -28.6918 -28.6918 -10.6638 -10.6638 -10.0006 -10.0006 -9.8733 -9.8733 -9.8637 -9.8637 -9.8003 -9.8003 -9.7941 -9.7941 -0.2143 -0.2143 0.0675 0.0675 0.5192 0.5192 0.5449 0.5449 0.6624 0.6624 0.7851 0.7851 1.1164 1.1164 1.5098 1.5098 1.6385 1.6385 1.7012 1.7012 1.8020 1.8020 1.9278 1.9278 2.1311 2.1311 2.9368 2.9368 3.0127 3.0127 3.1150 3.1150 3.4970 3.4970 3.5737 3.5737 5.7003 5.7003 5.7541 5.7541 5.8147 5.8147 5.9319 5.9319 6.0084 6.0084 6.1153 6.1153 7.2613 7.2613 7.3350 7.3350 k = 0.0833-0.0479-0.0285 ( 9506 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4201 -29.4201 -29.4055 -29.4055 -28.8076 -28.8076 -28.7851 -28.7851 -28.6947 -28.6947 -28.6918 -28.6918 -10.6698 -10.6698 -10.0007 -10.0007 -9.8710 -9.8710 -9.8616 -9.8616 -9.8001 -9.8001 -9.7908 -9.7908 -0.2236 -0.2236 0.0872 0.0872 0.5191 0.5191 0.5487 0.5487 0.6644 0.6644 0.7729 0.7729 1.0896 1.0896 1.5093 1.5093 1.6377 1.6377 1.6948 1.6948 1.7986 1.7986 1.9122 1.9122 2.1178 2.1178 2.9613 2.9613 3.0234 3.0234 3.1220 3.1220 3.5262 3.5262 3.5849 3.5849 5.7049 5.7049 5.7536 5.7536 5.8179 5.8179 5.9194 5.9194 6.0072 6.0072 6.1137 6.1137 7.2718 7.2718 7.3458 7.3458 k = 0.0667-0.0383-0.0228 ( 9498 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4201 -29.4201 -29.4054 -29.4054 -28.8077 -28.8077 -28.7850 -28.7850 -28.6947 -28.6947 -28.6918 -28.6918 -10.6747 -10.6747 -10.0008 -10.0008 -9.8692 -9.8692 -9.8599 -9.8599 -9.7999 -9.7999 -9.7879 -9.7879 -0.2312 -0.2312 0.1060 0.1060 0.5145 0.5145 0.5530 0.5530 0.6616 0.6616 0.7715 0.7715 1.0642 1.0642 1.5075 1.5075 1.6357 1.6357 1.6918 1.6918 1.7954 1.7954 1.8997 1.8997 2.1067 2.1067 2.9821 2.9821 3.0314 3.0314 3.1276 3.1276 3.5491 3.5491 3.5971 3.5971 5.7080 5.7080 5.7542 5.7542 5.8206 5.8206 5.9077 5.9077 6.0066 6.0066 6.1125 6.1125 7.2813 7.2813 7.3559 7.3559 k = 0.0500-0.0287-0.0171 ( 9485 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4202 -29.4202 -29.4054 -29.4054 -28.8078 -28.8078 -28.7848 -28.7848 -28.6947 -28.6947 -28.6918 -28.6918 -10.6786 -10.6786 -10.0010 -10.0010 -9.8676 -9.8676 -9.8586 -9.8586 -9.7998 -9.7998 -9.7855 -9.7855 -0.2372 -0.2372 0.1228 0.1228 0.5069 0.5069 0.5571 0.5571 0.6565 0.6565 0.7776 0.7776 1.0413 1.0413 1.5050 1.5050 1.6333 1.6333 1.6910 1.6910 1.7923 1.7923 1.8904 1.8904 2.0980 2.0980 2.9993 2.9993 3.0368 3.0368 3.1316 3.1316 3.5645 3.5645 3.6105 3.6105 5.7098 5.7098 5.7556 5.7556 5.8228 5.8228 5.8974 5.8974 6.0065 6.0065 6.1117 6.1117 7.2893 7.2893 7.3651 7.3651 k = 0.0333-0.0192-0.0114 ( 9478 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7848 -28.7848 -28.6947 -28.6947 -28.6918 -28.6918 -10.6813 -10.6813 -10.0011 -10.0011 -9.8665 -9.8665 -9.8578 -9.8578 -9.7998 -9.7998 -9.7838 -9.7838 -0.2415 -0.2415 0.1364 0.1364 0.4985 0.4985 0.5604 0.5604 0.6520 0.6520 0.7865 0.7865 1.0226 1.0226 1.5026 1.5026 1.6315 1.6315 1.6912 1.6912 1.7896 1.7896 1.8840 1.8840 2.0917 2.0917 3.0129 3.0129 3.0393 3.0393 3.1343 3.1343 3.5734 3.5734 3.6228 3.6228 5.7106 5.7106 5.7575 5.7575 5.8245 5.8245 5.8892 5.8892 6.0065 6.0065 6.1111 6.1111 7.2954 7.2954 7.3727 7.3727 k = 0.0167-0.0096-0.0057 ( 9475 PWs) bands (ev): -52.7197 -52.7197 -52.7168 -52.7168 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7847 -28.7847 -28.6947 -28.6947 -28.6918 -28.6918 -10.6830 -10.6830 -10.0012 -10.0012 -9.8658 -9.8658 -9.8573 -9.8573 -9.7997 -9.7997 -9.7828 -9.7828 -0.2441 -0.2441 0.1454 0.1454 0.4921 0.4921 0.5624 0.5624 0.6492 0.6492 0.7938 0.7938 1.0099 1.0099 1.5009 1.5009 1.6304 1.6304 1.6916 1.6916 1.7877 1.7877 1.8803 1.8803 2.0880 2.0880 3.0225 3.0225 3.0395 3.0395 3.1359 3.1359 3.5780 3.5780 3.6313 3.6313 5.7109 5.7109 5.7589 5.7589 5.8256 5.8256 5.8838 5.8838 6.0065 6.0065 6.1107 6.1107 7.2992 7.2992 7.3785 7.3785 k = 0.0000 0.0000 0.0000 ( 9487 PWs) bands (ev): -52.7197 -52.7197 -52.7168 -52.7168 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7847 -28.7847 -28.6947 -28.6947 -28.6918 -28.6918 -10.6835 -10.6835 -10.0012 -10.0012 -9.8656 -9.8656 -9.8571 -9.8571 -9.7997 -9.7997 -9.7824 -9.7824 -0.2449 -0.2449 0.1485 0.1485 0.4897 0.4897 0.5632 0.5632 0.6483 0.6483 0.7966 0.7966 1.0054 1.0054 1.5003 1.5003 1.6300 1.6300 1.6917 1.6917 1.7870 1.7870 1.8791 1.8791 2.0867 2.0867 3.0264 3.0264 3.0389 3.0389 3.1364 3.1364 3.5795 3.5795 3.6343 3.6343 5.7109 5.7109 5.7595 5.7595 5.8261 5.8261 5.8819 5.8819 6.0066 6.0066 6.1106 6.1106 7.3005 7.3005 7.3810 7.3810 k = 0.0000 0.0000 0.0000 ( 9487 PWs) bands (ev): -52.7197 -52.7197 -52.7168 -52.7168 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7847 -28.7847 -28.6947 -28.6947 -28.6918 -28.6918 -10.6835 -10.6835 -10.0012 -10.0012 -9.8656 -9.8656 -9.8571 -9.8571 -9.7997 -9.7997 -9.7824 -9.7824 -0.2449 -0.2449 0.1485 0.1485 0.4897 0.4897 0.5632 0.5632 0.6483 0.6483 0.7966 0.7966 1.0054 1.0054 1.5003 1.5003 1.6300 1.6300 1.6917 1.6917 1.7870 1.7870 1.8791 1.8791 2.0867 2.0867 3.0264 3.0264 3.0389 3.0389 3.1364 3.1364 3.5795 3.5795 3.6343 3.6343 5.7109 5.7109 5.7595 5.7595 5.8261 5.8261 5.8819 5.8819 6.0066 6.0066 6.1106 6.1106 7.3005 7.3005 7.3810 7.3810 k = 0.0000 0.0192-0.0057 ( 9483 PWs) bands (ev): -52.7197 -52.7197 -52.7168 -52.7168 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7847 -28.7847 -28.6947 -28.6947 -28.6918 -28.6918 -10.6830 -10.6830 -10.0011 -10.0011 -9.8663 -9.8663 -9.8569 -9.8569 -9.8001 -9.8001 -9.7824 -9.7824 -0.2441 -0.2441 0.1456 0.1456 0.4915 0.4915 0.5626 0.5626 0.6491 0.6491 0.7941 0.7941 1.0098 1.0098 1.5014 1.5014 1.6304 1.6304 1.6902 1.6902 1.7895 1.7895 1.8796 1.8796 2.0878 2.0878 3.0232 3.0232 3.0385 3.0385 3.1362 3.1362 3.5782 3.5782 3.6312 3.6312 5.7102 5.7102 5.7597 5.7597 5.8246 5.8246 5.8847 5.8847 6.0065 6.0065 6.1107 6.1107 7.2990 7.2990 7.3752 7.3752 k = 0.0000 0.0384-0.0115 ( 9484 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7848 -28.7848 -28.6947 -28.6947 -28.6918 -28.6918 -10.6813 -10.6813 -10.0009 -10.0009 -9.8682 -9.8682 -9.8565 -9.8565 -9.8010 -9.8010 -9.7824 -9.7824 -0.2416 -0.2416 0.1372 0.1372 0.4963 0.4963 0.5609 0.5609 0.6516 0.6516 0.7878 0.7878 1.0221 1.0221 1.5047 1.5047 1.6318 1.6318 1.6859 1.6859 1.7964 1.7964 1.8811 1.8811 2.0909 2.0909 3.0143 3.0143 3.0368 3.0368 3.1354 3.1354 3.5741 3.5741 3.6224 3.6224 5.7080 5.7080 5.7604 5.7604 5.8209 5.8209 5.8924 5.8924 6.0064 6.0064 6.1110 6.1110 7.2945 7.2945 7.3660 7.3660 k = 0.0000 0.0575-0.0172 ( 9488 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4202 -29.4202 -29.4054 -29.4054 -28.8078 -28.8078 -28.7849 -28.7849 -28.6947 -28.6947 -28.6918 -28.6918 -10.6785 -10.6785 -10.0006 -10.0006 -9.8712 -9.8712 -9.8561 -9.8561 -9.8025 -9.8025 -9.7823 -9.7823 -0.2374 -0.2374 0.1245 0.1245 0.5022 0.5022 0.5585 0.5585 0.6554 0.6554 0.7806 0.7806 1.0405 1.0405 1.5095 1.5095 1.6345 1.6345 1.6798 1.6798 1.8065 1.8065 1.8839 1.8839 2.0962 2.0962 3.0009 3.0009 3.0330 3.0330 3.1337 3.1337 3.5661 3.5661 3.6094 3.6094 5.7043 5.7043 5.7615 5.7615 5.8166 5.8166 5.9033 5.9033 6.0061 6.0061 6.1115 6.1115 7.2876 7.2876 7.3557 7.3557 k = 0.0000 0.0767-0.0229 ( 9507 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4201 -29.4201 -29.4055 -29.4055 -28.8077 -28.8077 -28.7850 -28.7850 -28.6947 -28.6947 -28.6918 -28.6918 -10.6746 -10.6746 -10.0001 -10.0001 -9.8750 -9.8750 -9.8557 -9.8557 -9.8045 -9.8045 -9.7823 -9.7823 -0.2317 -0.2317 0.1088 0.1088 0.5067 0.5067 0.5557 0.5557 0.6591 0.6591 0.7766 0.7766 1.0631 1.0631 1.5150 1.5150 1.6393 1.6393 1.6728 1.6728 1.8183 1.8183 1.8885 1.8885 2.1036 2.1036 2.9833 2.9833 3.0271 3.0271 3.1307 3.1307 3.5517 3.5517 3.5954 3.5954 5.6992 5.6992 5.7630 5.7630 5.8124 5.8124 5.9162 5.9162 6.0058 6.0058 6.1124 6.1124 7.2790 7.2790 7.3444 7.3444 k = 0.0000 0.0959-0.0287 ( 9507 PWs) bands (ev): -52.7196 -52.7196 -52.7169 -52.7169 -29.4200 -29.4200 -29.4055 -29.4055 -28.8076 -28.8076 -28.7851 -28.7851 -28.6947 -28.6947 -28.6918 -28.6918 -10.6697 -10.6697 -9.9996 -9.9996 -9.8797 -9.8797 -9.8555 -9.8555 -9.8069 -9.8069 -9.7825 -9.7825 -0.2244 -0.2244 0.0912 0.0912 0.5083 0.5083 0.5529 0.5529 0.6603 0.6603 0.7799 0.7799 1.0882 1.0882 1.5198 1.5198 1.6459 1.6459 1.6668 1.6668 1.8300 1.8300 1.8958 1.8958 2.1132 2.1132 2.9618 2.9618 3.0190 3.0190 3.1259 3.1259 3.5295 3.5295 3.5830 3.5830 5.6929 5.6929 5.7644 5.7644 5.8091 5.8091 5.9302 5.9302 6.0055 6.0055 6.1138 6.1138 7.2691 7.2691 7.3325 7.3325 k = 0.0000 0.1151-0.0344 ( 9506 PWs) bands (ev): -52.7196 -52.7196 -52.7169 -52.7169 -29.4199 -29.4199 -29.4056 -29.4056 -28.8074 -28.8074 -28.7853 -28.7853 -28.6947 -28.6947 -28.6918 -28.6918 -10.6636 -10.6636 -9.9989 -9.9989 -9.8853 -9.8853 -9.8554 -9.8554 -9.8097 -9.8097 -9.7828 -9.7828 -0.2157 -0.2157 0.0729 0.0729 0.5064 0.5064 0.5498 0.5498 0.6572 0.6572 0.7930 0.7930 1.1149 1.1149 1.5229 1.5229 1.6478 1.6478 1.6694 1.6694 1.8399 1.8399 1.9072 1.9072 2.1249 2.1249 2.9364 2.9364 3.0088 3.0088 3.1192 3.1192 3.5005 3.5005 3.5721 3.5721 5.6854 5.6854 5.7651 5.7651 5.8070 5.8070 5.9447 5.9447 6.0052 6.0052 6.1158 6.1158 7.2584 7.2584 7.3200 7.3200 k = 0.0000 0.1343-0.0401 ( 9517 PWs) bands (ev): -52.7196 -52.7196 -52.7170 -52.7170 -29.4198 -29.4198 -29.4058 -29.4058 -28.8073 -28.8073 -28.7855 -28.7855 -28.6947 -28.6947 -28.6919 -28.6919 -10.6565 -10.6565 -9.9982 -9.9982 -9.8918 -9.8918 -9.8554 -9.8554 -9.8128 -9.8128 -9.7832 -9.7832 -0.2058 -0.2058 0.0548 0.0548 0.5019 0.5019 0.5460 0.5460 0.6507 0.6507 0.8152 0.8152 1.1425 1.1425 1.5235 1.5235 1.6412 1.6412 1.6849 1.6849 1.8466 1.8466 1.9236 1.9236 2.1386 2.1386 2.9069 2.9069 2.9965 2.9965 3.1105 3.1105 3.4674 3.4674 3.5615 3.5615 5.6771 5.6771 5.7642 5.7642 5.8067 5.8067 5.9593 5.9593 6.0051 6.0051 6.1187 6.1187 7.2475 7.2475 7.3072 7.3072 k = 0.0000 0.1534-0.0458 ( 9515 PWs) bands (ev): -52.7196 -52.7196 -52.7170 -52.7170 -29.4197 -29.4197 -29.4059 -29.4059 -28.8070 -28.8070 -28.7857 -28.7857 -28.6947 -28.6947 -28.6919 -28.6919 -10.6484 -10.6484 -9.9974 -9.9974 -9.8992 -9.8992 -9.8554 -9.8554 -9.8162 -9.8162 -9.7838 -9.7838 -0.1949 -0.1949 0.0374 0.0374 0.4955 0.4955 0.5414 0.5414 0.6426 0.6426 0.8440 0.8440 1.1706 1.1706 1.5215 1.5215 1.6322 1.6322 1.7067 1.7067 1.8507 1.8507 1.9445 1.9445 2.1541 2.1541 2.8733 2.8733 2.9819 2.9819 3.0999 3.0999 3.4325 3.4325 3.5505 3.5505 5.6682 5.6682 5.7611 5.7611 5.8086 5.8086 5.9730 5.9730 6.0057 6.0057 6.1225 6.1225 7.2365 7.2365 7.2943 7.2943 k = 0.0000 0.1726-0.0516 ( 9516 PWs) bands (ev): -52.7195 -52.7195 -52.7170 -52.7170 -29.4195 -29.4195 -29.4061 -29.4061 -28.8068 -28.8068 -28.7860 -28.7860 -28.6946 -28.6946 -28.6919 -28.6919 -10.6392 -10.6392 -9.9965 -9.9965 -9.9074 -9.9074 -9.8555 -9.8555 -9.8198 -9.8198 -9.7846 -9.7846 -0.1835 -0.1835 0.0215 0.0215 0.4881 0.4881 0.5358 0.5358 0.6347 0.6347 0.8769 0.8769 1.1987 1.1987 1.5172 1.5172 1.6224 1.6224 1.7319 1.7319 1.8537 1.8537 1.9690 1.9690 2.1713 2.1713 2.8351 2.8351 2.9651 2.9651 3.0876 3.0876 3.3974 3.3974 3.5388 3.5388 5.6586 5.6586 5.7555 5.7555 5.8127 5.8127 5.9845 5.9845 6.0081 6.0081 6.1275 6.1275 7.2259 7.2259 7.2817 7.2817 k = 0.0000 0.1918-0.0573 ( 9524 PWs) bands (ev): -52.7195 -52.7195 -52.7170 -52.7170 -29.4194 -29.4194 -29.4063 -29.4063 -28.8065 -28.8065 -28.7863 -28.7863 -28.6946 -28.6946 -28.6919 -28.6919 -10.6290 -10.6290 -9.9957 -9.9957 -9.9165 -9.9165 -9.8557 -9.8557 -9.8235 -9.8235 -9.7856 -9.7856 -0.1720 -0.1720 0.0078 0.0078 0.4800 0.4800 0.5298 0.5298 0.6279 0.6279 0.9122 0.9122 1.2267 1.2267 1.5108 1.5108 1.6121 1.6121 1.7577 1.7577 1.8578 1.8578 1.9962 1.9962 2.1899 2.1899 2.7920 2.7920 2.9462 2.9462 3.0741 3.0741 3.3637 3.3637 3.5263 3.5263 5.6486 5.6486 5.7477 5.7477 5.8183 5.8183 5.9911 5.9911 6.0146 6.0146 6.1336 6.1336 7.2159 7.2159 7.2695 7.2695 k = 0.0000 0.2110-0.0630 ( 9527 PWs) bands (ev): -52.7195 -52.7195 -52.7171 -52.7171 -29.4192 -29.4192 -29.4065 -29.4065 -28.8062 -28.8062 -28.7866 -28.7866 -28.6946 -28.6946 -28.6920 -28.6920 -10.6179 -10.6179 -9.9949 -9.9949 -9.9263 -9.9263 -9.8559 -9.8559 -9.8272 -9.8272 -9.7867 -9.7867 -0.1614 -0.1614 -0.0026 -0.0026 0.4713 0.4713 0.5240 0.5240 0.6229 0.6229 0.9488 0.9488 1.2543 1.2543 1.5030 1.5030 1.6016 1.6016 1.7796 1.7796 1.8672 1.8672 2.0254 2.0254 2.2097 2.2097 2.7438 2.7438 2.9253 2.9253 3.0598 3.0598 3.3323 3.3323 3.5129 3.5129 5.6382 5.6382 5.7382 5.7382 5.8251 5.8251 5.9931 5.9931 6.0248 6.0248 6.1410 6.1410 7.2067 7.2067 7.2581 7.2581 k = 0.0000 0.2302-0.0688 ( 9526 PWs) bands (ev): -52.7194 -52.7194 -52.7171 -52.7171 -29.4190 -29.4190 -29.4067 -29.4067 -28.8059 -28.8059 -28.7869 -28.7869 -28.6946 -28.6946 -28.6920 -28.6920 -10.6058 -10.6058 -9.9944 -9.9944 -9.9368 -9.9368 -9.8561 -9.8561 -9.8311 -9.8311 -9.7880 -9.7880 -0.1530 -0.1530 -0.0086 -0.0086 0.4618 0.4618 0.5195 0.5195 0.6198 0.6198 0.9856 0.9856 1.2812 1.2812 1.4941 1.4941 1.5907 1.5907 1.7923 1.7923 1.8867 1.8867 2.0562 2.0562 2.2302 2.2302 2.6907 2.6907 2.9029 2.9029 3.0451 3.0451 3.3038 3.3038 3.4988 3.4988 5.6274 5.6274 5.7271 5.7271 5.8326 5.8326 5.9930 5.9930 6.0360 6.0360 6.1495 6.1495 7.1982 7.1982 7.2477 7.2477 k = 0.0000 0.2493-0.0745 ( 9532 PWs) bands (ev): -52.7194 -52.7194 -52.7172 -52.7172 -29.4188 -29.4188 -29.4069 -29.4069 -28.8055 -28.8055 -28.7873 -28.7873 -28.6945 -28.6945 -28.6920 -28.6920 -10.5928 -10.5928 -9.9945 -9.9945 -9.9476 -9.9476 -9.8563 -9.8563 -9.8348 -9.8348 -9.7895 -9.7895 -0.1482 -0.1482 -0.0087 -0.0087 0.4515 0.4515 0.5170 0.5170 0.6186 0.6186 1.0218 1.0218 1.3067 1.3067 1.4851 1.4851 1.5796 1.5796 1.7956 1.7956 1.9159 1.9159 2.0880 2.0880 2.2511 2.2511 2.6332 2.6332 2.8794 2.8794 3.0304 3.0304 3.2784 3.2784 3.4839 3.4839 5.6161 5.6161 5.7149 5.7149 5.8406 5.8406 5.9921 5.9921 6.0468 6.0468 6.1591 6.1591 7.1904 7.1904 7.2386 7.2386 k = 0.0000 0.2685-0.0802 ( 9533 PWs) bands (ev): -52.7193 -52.7193 -52.7172 -52.7172 -29.4186 -29.4186 -29.4072 -29.4072 -28.8052 -28.8052 -28.7877 -28.7877 -28.6945 -28.6945 -28.6921 -28.6921 -10.5789 -10.5789 -9.9956 -9.9956 -9.9581 -9.9581 -9.8566 -9.8566 -9.8385 -9.8385 -9.7912 -9.7912 -0.1478 -0.1478 -0.0023 -0.0023 0.4403 0.4403 0.5171 0.5171 0.6192 0.6192 1.0568 1.0568 1.3299 1.3299 1.4769 1.4769 1.5683 1.5683 1.7934 1.7934 1.9504 1.9504 2.1203 2.1203 2.2722 2.2722 2.5724 2.5724 2.8554 2.8554 3.0160 3.0160 3.2559 3.2559 3.4685 3.4685 5.6045 5.6045 5.7017 5.7017 5.8489 5.8489 5.9907 5.9907 6.0570 6.0570 6.1696 6.1696 7.1832 7.1832 7.2313 7.2313 k = 0.0000 0.2877-0.0860 ( 9531 PWs) bands (ev): -52.7193 -52.7193 -52.7173 -52.7173 -29.4183 -29.4183 -29.4074 -29.4074 -28.8048 -28.8048 -28.7881 -28.7881 -28.6944 -28.6944 -28.6921 -28.6921 -10.5642 -10.5642 -9.9993 -9.9993 -9.9670 -9.9670 -9.8570 -9.8570 -9.8419 -9.8419 -9.7930 -9.7930 -0.1513 -0.1513 0.0101 0.0101 0.4285 0.4285 0.5201 0.5201 0.6217 0.6217 1.0899 1.0899 1.3487 1.3487 1.4718 1.4718 1.5570 1.5570 1.7885 1.7885 1.9868 1.9868 2.1521 2.1521 2.2927 2.2927 2.5103 2.5103 2.8313 2.8313 3.0022 3.0022 3.2360 3.2360 3.4527 3.4527 5.5923 5.5923 5.6880 5.6880 5.8572 5.8572 5.9890 5.9890 6.0663 6.0663 6.1807 6.1807 7.1763 7.1763 7.2261 7.2261 k = 0.0000 0.3069-0.0917 ( 9535 PWs) bands (ev): -52.7192 -52.7192 -52.7173 -52.7173 -29.4181 -29.4181 -29.4077 -29.4077 -28.8043 -28.8043 -28.7885 -28.7885 -28.6944 -28.6944 -28.6922 -28.6922 -10.5486 -10.5486 -10.0070 -10.0070 -9.9727 -9.9727 -9.8578 -9.8578 -9.8448 -9.8448 -9.7949 -9.7949 -0.1577 -0.1577 0.0272 0.0272 0.4163 0.4163 0.5259 0.5259 0.6261 0.6261 1.1205 1.1205 1.3599 1.3599 1.4725 1.4725 1.5464 1.5464 1.7823 1.7823 2.0231 2.0231 2.1813 2.1813 2.3107 2.3107 2.4510 2.4510 2.8077 2.8077 2.9891 2.9891 3.2184 3.2184 3.4368 3.4368 5.5797 5.5797 5.6740 5.6740 5.8655 5.8655 5.9871 5.9871 6.0747 6.0747 6.1923 6.1923 7.1695 7.1695 7.2233 7.2233 k = 0.0000 0.3261-0.0974 ( 9542 PWs) bands (ev): -52.7192 -52.7192 -52.7174 -52.7174 -29.4178 -29.4178 -29.4080 -29.4080 -28.8039 -28.8039 -28.7890 -28.7890 -28.6943 -28.6943 -28.6922 -28.6922 -10.5323 -10.5323 -10.0187 -10.0187 -9.9752 -9.9752 -9.8590 -9.8590 -9.8470 -9.8470 -9.7970 -9.7970 -0.1658 -0.1658 0.0478 0.0478 0.4042 0.4042 0.5345 0.5345 0.6322 0.6322 1.1480 1.1480 1.3615 1.3615 1.4797 1.4797 1.5380 1.5380 1.7758 1.7758 2.0576 2.0576 2.2035 2.2035 2.3182 2.3182 2.4080 2.4080 2.7852 2.7852 2.9769 2.9769 3.2024 3.2024 3.4210 3.4210 5.5666 5.5666 5.6599 5.6599 5.8737 5.8737 5.9851 5.9851 6.0825 6.0825 6.2040 6.2040 7.1628 7.1628 7.2228 7.2228 k = 0.0000 0.3452-0.1031 ( 9552 PWs) bands (ev): -52.7191 -52.7191 -52.7174 -52.7174 -29.4175 -29.4175 -29.4083 -29.4083 -28.8035 -28.8035 -28.7894 -28.7894 -28.6943 -28.6943 -28.6923 -28.6923 -10.5153 -10.5153 -10.0331 -10.0331 -9.9758 -9.9758 -9.8608 -9.8608 -9.8484 -9.8484 -9.7992 -9.7992 -0.1748 -0.1748 0.0706 0.0706 0.3922 0.3922 0.5455 0.5455 0.6401 0.6401 1.1717 1.1717 1.3552 1.3552 1.4875 1.4875 1.5366 1.5366 1.7695 1.7695 2.0884 2.0884 2.2054 2.2054 2.3072 2.3072 2.4034 2.4034 2.7642 2.7642 2.9659 2.9659 3.1875 3.1875 3.4057 3.4057 5.5531 5.5531 5.6462 5.6462 5.8816 5.8816 5.9828 5.9828 6.0894 6.0894 6.2156 6.2156 7.1563 7.1563 7.2245 7.2245 k = 0.0000 0.3644-0.1089 ( 9557 PWs) bands (ev): -52.7191 -52.7191 -52.7175 -52.7175 -29.4173 -29.4173 -29.4085 -29.4085 -28.8030 -28.8030 -28.7899 -28.7899 -28.6943 -28.6943 -28.6923 -28.6923 -10.4976 -10.4976 -10.0490 -10.0490 -9.9756 -9.9756 -9.8632 -9.8632 -9.8489 -9.8489 -9.8015 -9.8015 -0.1840 -0.1840 0.0950 0.0950 0.3807 0.3807 0.5588 0.5588 0.6498 0.6498 1.1910 1.1910 1.3439 1.3439 1.4877 1.4877 1.5481 1.5481 1.7639 1.7639 2.1102 2.1102 2.1755 2.1755 2.3070 2.3070 2.4243 2.4243 2.7455 2.7455 2.9560 2.9560 3.1733 3.1733 3.3911 3.3911 5.5391 5.5391 5.6330 5.6330 5.8893 5.8893 5.9805 5.9805 6.0958 6.0958 6.2270 6.2270 7.1500 7.1500 7.2281 7.2281 k = 0.0000 0.3836-0.1146 ( 9557 PWs) bands (ev): -52.7190 -52.7190 -52.7176 -52.7176 -29.4170 -29.4170 -29.4088 -29.4088 -28.8025 -28.8025 -28.7904 -28.7904 -28.6942 -28.6942 -28.6924 -28.6924 -10.4793 -10.4793 -10.0661 -10.0661 -9.9750 -9.9750 -9.8658 -9.8658 -9.8488 -9.8488 -9.8039 -9.8039 -0.1930 -0.1930 0.1202 0.1202 0.3699 0.3699 0.5740 0.5740 0.6614 0.6614 1.2050 1.2050 1.3300 1.3300 1.4820 1.4820 1.5688 1.5688 1.7593 1.7593 2.0932 2.0932 2.1582 2.1582 2.3195 2.3195 2.4538 2.4538 2.7297 2.7297 2.9474 2.9474 3.1591 3.1591 3.3776 3.3776 5.5250 5.5250 5.6205 5.6205 5.8965 5.8965 5.9781 5.9781 6.1015 6.1015 6.2379 6.2379 7.1442 7.1442 7.2331 7.2331 k = 0.0000 0.4028-0.1203 ( 9554 PWs) bands (ev): -52.7189 -52.7189 -52.7176 -52.7176 -29.4167 -29.4167 -29.4091 -29.4091 -28.8020 -28.8020 -28.7909 -28.7909 -28.6941 -28.6941 -28.6924 -28.6924 -10.4605 -10.4605 -10.0841 -10.0841 -9.9742 -9.9742 -9.8685 -9.8685 -9.8483 -9.8483 -9.8063 -9.8063 -0.2017 -0.2017 0.1456 0.1456 0.3598 0.3598 0.5907 0.5907 0.6745 0.6745 1.2133 1.2133 1.3152 1.3152 1.4755 1.4755 1.5926 1.5926 1.7562 1.7562 2.0375 2.0375 2.1678 2.1678 2.3350 2.3350 2.4865 2.4865 2.7173 2.7173 2.9402 2.9402 3.1445 3.1445 3.3656 3.3656 5.5109 5.5109 5.6089 5.6089 5.9034 5.9034 5.9755 5.9755 6.1066 6.1066 6.2482 6.2482 7.1388 7.1388 7.2392 7.2392 k = 0.0000 0.4220-0.1261 ( 9549 PWs) bands (ev): -52.7189 -52.7189 -52.7177 -52.7177 -29.4164 -29.4164 -29.4094 -29.4094 -28.8015 -28.8015 -28.7914 -28.7914 -28.6941 -28.6941 -28.6924 -28.6924 -10.4412 -10.4412 -10.1027 -10.1027 -9.9734 -9.9734 -9.8710 -9.8710 -9.8475 -9.8475 -9.8088 -9.8088 -0.2099 -0.2099 0.1706 0.1706 0.3507 0.3507 0.6085 0.6085 0.6891 0.6891 1.2158 1.2158 1.3002 1.3002 1.4702 1.4702 1.6162 1.6162 1.7551 1.7551 1.9771 1.9771 2.1751 2.1751 2.3515 2.3515 2.5199 2.5199 2.7088 2.7088 2.9342 2.9342 3.1293 3.1293 3.3552 3.3552 5.4970 5.4970 5.5983 5.5983 5.9099 5.9099 5.9729 5.9729 6.1112 6.1112 6.2578 6.2578 7.1341 7.1341 7.2460 7.2460 k = 0.0000 0.4411-0.1318 ( 9556 PWs) bands (ev): -52.7188 -52.7188 -52.7178 -52.7178 -29.4161 -29.4161 -29.4097 -29.4097 -28.8011 -28.8011 -28.7919 -28.7919 -28.6940 -28.6940 -28.6925 -28.6925 -10.4214 -10.4214 -10.1219 -10.1219 -9.9726 -9.9726 -9.8734 -9.8734 -9.8465 -9.8465 -9.8113 -9.8113 -0.2173 -0.2173 0.1945 0.1945 0.3425 0.3425 0.6271 0.6271 0.7046 0.7046 1.2130 1.2130 1.2855 1.2855 1.4667 1.4667 1.6371 1.6371 1.7569 1.7569 1.9196 1.9196 2.1757 2.1757 2.3684 2.3684 2.5518 2.5518 2.7047 2.7047 2.9295 2.9295 3.1132 3.1132 3.3465 3.3465 5.4837 5.4837 5.5888 5.5888 5.9159 5.9159 5.9702 5.9702 6.1152 6.1152 6.2665 6.2665 7.1300 7.1300 7.2530 7.2530 k = 0.0000 0.4603-0.1375 ( 9555 PWs) bands (ev): -52.7187 -52.7187 -52.7178 -52.7178 -29.4158 -29.4158 -29.4100 -29.4100 -28.8006 -28.8006 -28.7924 -28.7924 -28.6940 -28.6940 -28.6925 -28.6925 -10.4014 -10.4014 -10.1415 -10.1415 -9.9718 -9.9718 -9.8755 -9.8755 -9.8452 -9.8452 -9.8138 -9.8138 -0.2239 -0.2239 0.2167 0.2167 0.3356 0.3356 0.6462 0.6462 0.7203 0.7203 1.2065 1.2065 1.2712 1.2712 1.4647 1.4647 1.6524 1.6524 1.7620 1.7620 1.8688 1.8688 2.1697 2.1697 2.3854 2.3854 2.5803 2.5803 2.7054 2.7054 2.9261 2.9261 3.0964 3.0964 3.3396 3.3396 5.4713 5.4713 5.5804 5.5804 5.9215 5.9215 5.9675 5.9675 6.1187 6.1187 6.2743 6.2743 7.1265 7.1265 7.2598 7.2598 k = 0.0000 0.4795-0.1433 ( 9559 PWs) bands (ev): -52.7187 -52.7187 -52.7179 -52.7179 -29.4156 -29.4156 -29.4103 -29.4103 -28.8001 -28.8001 -28.7929 -28.7929 -28.6940 -28.6940 -28.6926 -28.6926 -10.3811 -10.3811 -10.1615 -10.1615 -9.9711 -9.9711 -9.8774 -9.8774 -9.8439 -9.8439 -9.8162 -9.8162 -0.2297 -0.2297 0.2365 0.2365 0.3299 0.3299 0.6654 0.6654 0.7352 0.7352 1.1984 1.1984 1.2573 1.2573 1.4635 1.4635 1.6594 1.6594 1.7687 1.7687 1.8304 1.8304 2.1586 2.1586 2.4016 2.4016 2.6036 2.6036 2.7112 2.7112 2.9240 2.9240 3.0793 3.0793 3.3343 3.3343 5.4601 5.4601 5.5732 5.5732 5.9267 5.9267 5.9647 5.9647 6.1217 6.1217 6.2810 6.2810 7.1236 7.1236 7.2660 7.2660 k = 0.0000 0.4987-0.1490 ( 9565 PWs) bands (ev): -52.7186 -52.7186 -52.7180 -52.7180 -29.4153 -29.4153 -29.4105 -29.4105 -28.7996 -28.7996 -28.7934 -28.7934 -28.6939 -28.6939 -28.6926 -28.6926 -10.3607 -10.3607 -10.1816 -10.1816 -9.9705 -9.9705 -9.8790 -9.8790 -9.8424 -9.8424 -9.8185 -9.8185 -0.2344 -0.2344 0.2532 0.2532 0.3257 0.3257 0.6842 0.6842 0.7480 0.7480 1.1909 1.1909 1.2435 1.2435 1.4624 1.4624 1.6568 1.6568 1.7667 1.7667 1.8163 1.8163 2.1441 2.1441 2.4161 2.4161 2.6206 2.6206 2.7213 2.7213 2.9230 2.9230 3.0623 3.0623 3.3303 3.3303 5.4505 5.4505 5.5673 5.5673 5.9316 5.9316 5.9618 5.9618 6.1241 6.1241 6.2866 6.2866 7.1213 7.1213 7.2713 7.2713 k = 0.0000 0.5179-0.1547 ( 9561 PWs) bands (ev): -52.7185 -52.7185 -52.7180 -52.7180 -29.4151 -29.4151 -29.4108 -29.4108 -28.7992 -28.7992 -28.7938 -28.7938 -28.6939 -28.6939 -28.6927 -28.6927 -10.3405 -10.3405 -10.2016 -10.2016 -9.9701 -9.9701 -9.8802 -9.8802 -9.8410 -9.8410 -9.8206 -9.8206 -0.2382 -0.2382 0.2662 0.2662 0.3231 0.3231 0.7020 0.7020 0.7575 0.7575 1.1859 1.1859 1.2300 1.2300 1.4610 1.4610 1.6469 1.6469 1.7555 1.7555 1.8252 1.8252 2.1285 2.1285 2.4282 2.4282 2.6318 2.6318 2.7337 2.7337 2.9233 2.9233 3.0465 3.0465 3.3276 3.3276 5.4427 5.4427 5.5626 5.5626 5.9360 5.9360 5.9588 5.9588 6.1260 6.1260 6.2911 6.2911 7.1196 7.1196 7.2756 7.2756 k = 0.0000 0.5370-0.1604 ( 9562 PWs) bands (ev): -52.7185 -52.7185 -52.7181 -52.7181 -29.4149 -29.4149 -29.4109 -29.4109 -28.7989 -28.7989 -28.7941 -28.7941 -28.6939 -28.6939 -28.6927 -28.6927 -10.3212 -10.3212 -10.2208 -10.2208 -9.9697 -9.9697 -9.8811 -9.8811 -9.8397 -9.8397 -9.8224 -9.8224 -0.2409 -0.2409 0.2750 0.2750 0.3220 0.3220 0.7177 0.7177 0.7629 0.7629 1.1847 1.1847 1.2170 1.2170 1.4591 1.4591 1.6348 1.6348 1.7473 1.7473 1.8389 1.8389 2.1142 2.1142 2.4373 2.4373 2.6387 2.6387 2.7453 2.7453 2.9244 2.9244 3.0331 3.0331 3.3258 3.3258 5.4370 5.4370 5.5593 5.5593 5.9400 5.9400 5.9558 5.9558 6.1273 6.1273 6.2943 6.2943 7.1184 7.1184 7.2786 7.2786 k = 0.0000 0.5562-0.1662 ( 9553 PWs) bands (ev): -52.7184 -52.7184 -52.7181 -52.7181 -29.4148 -29.4148 -29.4110 -29.4110 -28.7986 -28.7986 -28.7943 -28.7943 -28.6938 -28.6938 -28.6927 -28.6927 -10.3045 -10.3045 -10.2374 -10.2374 -9.9695 -9.9695 -9.8817 -9.8817 -9.8387 -9.8387 -9.8237 -9.8237 -0.2426 -0.2426 0.2799 0.2799 0.3218 0.3218 0.7295 0.7295 0.7644 0.7644 1.1879 1.1879 1.2051 1.2051 1.4575 1.4575 1.6256 1.6256 1.7432 1.7432 1.8496 1.8496 2.1040 2.1040 2.4429 2.4429 2.6424 2.6424 2.7534 2.7534 2.9257 2.9257 3.0238 3.0238 3.3247 3.3247 5.4334 5.4334 5.5572 5.5572 5.9435 5.9435 5.9529 5.9529 6.1281 6.1281 6.2962 6.2962 7.1176 7.1176 7.2805 7.2805 k = 0.0000 0.5754-0.1719 ( 9550 PWs) bands (ev): -52.7184 -52.7184 -52.7182 -52.7182 -29.4148 -29.4148 -29.4111 -29.4111 -28.7985 -28.7985 -28.7944 -28.7944 -28.6938 -28.6938 -28.6927 -28.6927 -10.2966 -10.2966 -10.2453 -10.2453 -9.9694 -9.9694 -9.8818 -9.8818 -9.8384 -9.8384 -9.8241 -9.8241 -0.2431 -0.2431 0.2814 0.2814 0.3219 0.3219 0.7342 0.7342 0.7642 0.7642 1.1945 1.1945 1.1955 1.1955 1.4568 1.4568 1.6224 1.6224 1.7420 1.7420 1.8536 1.8536 2.1002 2.1002 2.4448 2.4448 2.6435 2.6435 2.7563 2.7563 2.9264 2.9264 3.0204 3.0204 3.3244 3.3244 5.4323 5.4323 5.5566 5.5566 5.9453 5.9453 5.9513 5.9513 6.1284 6.1284 6.2969 6.2969 7.1174 7.1174 7.2811 7.2811 k = 0.5000 0.2881-0.3427 ( 9530 PWs) bands (ev): -52.7189 -52.7189 -52.7176 -52.7176 -29.4158 -29.4158 -29.4100 -29.4100 -28.8013 -28.8013 -28.7917 -28.7917 -28.6944 -28.6944 -28.6919 -28.6919 -10.2902 -10.2902 -10.1292 -10.1292 -9.9699 -9.9699 -9.9583 -9.9583 -9.8817 -9.8817 -9.8421 -9.8421 -0.1420 -0.1420 0.3006 0.3006 0.5598 0.5598 0.7287 0.7287 0.7325 0.7325 1.0856 1.0856 1.3557 1.3557 1.5937 1.5937 1.6694 1.6694 1.7563 1.7563 1.8979 1.8979 1.9010 1.9010 2.3193 2.3193 2.4681 2.4681 2.5308 2.5308 2.9259 2.9259 2.9316 2.9316 3.2442 3.2442 5.5771 5.5771 5.5867 5.5867 5.8534 5.8534 5.9316 5.9316 6.2016 6.2016 6.2500 6.2500 7.0641 7.0641 7.2930 7.2930 k = 0.4848 0.2794-0.3324 ( 9529 PWs) bands (ev): -52.7190 -52.7190 -52.7176 -52.7176 -29.4158 -29.4158 -29.4100 -29.4100 -28.8013 -28.8013 -28.7917 -28.7917 -28.6944 -28.6944 -28.6919 -28.6919 -10.2929 -10.2929 -10.1270 -10.1270 -9.9697 -9.9697 -9.9580 -9.9580 -9.8817 -9.8817 -9.8421 -9.8421 -0.1418 -0.1418 0.2991 0.2991 0.5571 0.5571 0.7249 0.7249 0.7355 0.7355 1.0864 1.0864 1.3585 1.3585 1.5930 1.5930 1.6704 1.6704 1.7559 1.7559 1.8874 1.8874 1.9113 1.9113 2.3205 2.3205 2.4681 2.4681 2.5294 2.5294 2.9180 2.9180 2.9411 2.9411 3.2443 3.2443 5.5773 5.5773 5.5878 5.5878 5.8534 5.8534 5.9318 5.9318 6.2013 6.2013 6.2494 6.2494 7.0651 7.0651 7.2929 7.2929 k = 0.4697 0.2707-0.3220 ( 9529 PWs) bands (ev): -52.7190 -52.7190 -52.7176 -52.7176 -29.4159 -29.4159 -29.4099 -29.4099 -28.8014 -28.8014 -28.7916 -28.7916 -28.6944 -28.6944 -28.6919 -28.6919 -10.3003 -10.3003 -10.1211 -10.1211 -9.9690 -9.9690 -9.9570 -9.9570 -9.8814 -9.8814 -9.8418 -9.8418 -0.1410 -0.1410 0.2946 0.2946 0.5497 0.5497 0.7194 0.7194 0.7383 0.7383 1.0891 1.0891 1.3665 1.3665 1.5912 1.5912 1.6734 1.6734 1.7543 1.7543 1.8759 1.8759 1.9226 1.9226 2.3238 2.3238 2.4681 2.4681 2.5253 2.5253 2.9096 2.9096 2.9544 2.9544 3.2446 3.2446 5.5782 5.5782 5.5911 5.5911 5.8532 5.8532 5.9324 5.9324 6.2004 6.2004 6.2475 6.2475 7.0682 7.0682 7.2926 7.2926 k = 0.4545 0.2619-0.3116 ( 9521 PWs) bands (ev): -52.7190 -52.7190 -52.7176 -52.7176 -29.4159 -29.4159 -29.4098 -29.4098 -28.8015 -28.8015 -28.7914 -28.7914 -28.6944 -28.6944 -28.6919 -28.6919 -10.3115 -10.3115 -10.1125 -10.1125 -9.9679 -9.9679 -9.9555 -9.9555 -9.8811 -9.8811 -9.8414 -9.8414 -0.1397 -0.1397 0.2871 0.2871 0.5387 0.5387 0.7134 0.7134 0.7388 0.7388 1.0940 1.0940 1.3785 1.3785 1.5888 1.5888 1.6779 1.6779 1.7510 1.7510 1.8656 1.8656 1.9340 1.9340 2.3284 2.3284 2.4681 2.4681 2.5190 2.5190 2.9032 2.9032 2.9689 2.9689 3.2451 3.2451 5.5796 5.5796 5.5964 5.5964 5.8529 5.8529 5.9333 5.9333 6.1990 6.1990 6.2443 6.2443 7.0733 7.0733 7.2920 7.2920 k = 0.4394 0.2532-0.3012 ( 9524 PWs) bands (ev): -52.7190 -52.7190 -52.7176 -52.7176 -29.4161 -29.4161 -29.4097 -29.4097 -28.8017 -28.8017 -28.7913 -28.7913 -28.6944 -28.6944 -28.6919 -28.6919 -10.3254 -10.3254 -10.1022 -10.1022 -9.9660 -9.9660 -9.9535 -9.9535 -9.8806 -9.8806 -9.8408 -9.8408 -0.1379 -0.1379 0.2768 0.2768 0.5255 0.5255 0.7064 0.7064 0.7364 0.7364 1.1015 1.1015 1.3928 1.3928 1.5863 1.5863 1.6832 1.6832 1.7453 1.7453 1.8580 1.8580 1.9456 1.9456 2.3331 2.3331 2.4680 2.4680 2.5122 2.5122 2.8989 2.8989 2.9843 2.9843 3.2461 3.2461 5.5816 5.5816 5.6035 5.6035 5.8525 5.8525 5.9346 5.9346 6.1970 6.1970 6.2400 6.2400 7.0804 7.0804 7.2912 7.2912 k = 0.4242 0.2445-0.2908 ( 9522 PWs) bands (ev): -52.7190 -52.7190 -52.7175 -52.7175 -29.4162 -29.4162 -29.4096 -29.4096 -28.8019 -28.8019 -28.7911 -28.7911 -28.6944 -28.6944 -28.6919 -28.6919 -10.3412 -10.3412 -10.0912 -10.0912 -9.9633 -9.9633 -9.9510 -9.9510 -9.8800 -9.8800 -9.8401 -9.8401 -0.1357 -0.1357 0.2638 0.2638 0.5116 0.5116 0.6977 0.6977 0.7318 0.7318 1.1117 1.1117 1.4070 1.4070 1.5843 1.5843 1.6880 1.6880 1.7378 1.7378 1.8544 1.8544 1.9579 1.9579 2.3363 2.3363 2.4654 2.4654 2.5082 2.5082 2.8968 2.8968 3.0002 3.0002 3.2478 3.2478 5.5841 5.5841 5.6124 5.6124 5.8519 5.8519 5.9363 5.9363 6.1944 6.1944 6.2344 6.2344 7.0892 7.0892 7.2902 7.2902 k = 0.4091 0.2357-0.2804 ( 9525 PWs) bands (ev): -52.7190 -52.7190 -52.7175 -52.7175 -29.4164 -29.4164 -29.4094 -29.4094 -28.8021 -28.8021 -28.7908 -28.7908 -28.6945 -28.6945 -28.6919 -28.6919 -10.3583 -10.3583 -10.0804 -10.0804 -9.9596 -9.9596 -9.9481 -9.9481 -9.8792 -9.8792 -9.8392 -9.8392 -0.1329 -0.1329 0.2482 0.2482 0.4978 0.4978 0.6863 0.6863 0.7261 0.7261 1.1243 1.1243 1.4190 1.4190 1.5831 1.5831 1.6887 1.6887 1.7319 1.7319 1.8553 1.8553 1.9712 1.9712 2.3372 2.3372 2.4571 2.4571 2.5114 2.5114 2.8970 2.8970 3.0162 3.0162 3.2505 3.2505 5.5870 5.5870 5.6228 5.6228 5.8511 5.8511 5.9385 5.9385 6.1914 6.1914 6.2278 6.2278 7.0997 7.0997 7.2888 7.2888 k = 0.3939 0.2270-0.2700 ( 9531 PWs) bands (ev): -52.7191 -52.7191 -52.7175 -52.7175 -29.4165 -29.4165 -29.4092 -29.4092 -28.8024 -28.8024 -28.7906 -28.7906 -28.6945 -28.6945 -28.6919 -28.6919 -10.3761 -10.3761 -10.0702 -10.0702 -9.9547 -9.9547 -9.9450 -9.9450 -9.8783 -9.8783 -9.8381 -9.8381 -0.1296 -0.1296 0.2304 0.2304 0.4849 0.4849 0.6719 0.6719 0.7203 0.7203 1.1385 1.1385 1.4266 1.4266 1.5825 1.5825 1.6801 1.6801 1.7338 1.7338 1.8607 1.8607 1.9861 1.9861 2.3350 2.3350 2.4438 2.4438 2.5220 2.5220 2.8993 2.8993 3.0320 3.0320 3.2546 3.2546 5.5904 5.5904 5.6344 5.6344 5.8500 5.8500 5.9410 5.9410 6.1878 6.1878 6.2201 6.2201 7.1116 7.1116 7.2869 7.2869 k = 0.3788 0.2183-0.2597 ( 9532 PWs) bands (ev): -52.7191 -52.7191 -52.7175 -52.7175 -29.4167 -29.4167 -29.4090 -29.4090 -28.8027 -28.8027 -28.7903 -28.7903 -28.6945 -28.6945 -28.6919 -28.6919 -10.3944 -10.3944 -10.0610 -10.0610 -9.9488 -9.9488 -9.9415 -9.9415 -9.8773 -9.8773 -9.8369 -9.8369 -0.1259 -0.1259 0.2107 0.2107 0.4732 0.4732 0.6549 0.6549 0.7148 0.7148 1.1537 1.1537 1.4286 1.4286 1.5820 1.5820 1.6636 1.6636 1.7426 1.7426 1.8700 1.8700 2.0030 2.0030 2.3297 2.3297 2.4282 2.4282 2.5379 2.5379 2.9038 2.9038 3.0473 3.0473 3.2603 3.2603 5.5941 5.5941 5.6469 5.6469 5.8487 5.8487 5.9440 5.9440 6.1835 6.1835 6.2116 6.2116 7.1247 7.1247 7.2847 7.2847 k = 0.3636 0.2095-0.2493 ( 9529 PWs) bands (ev): -52.7191 -52.7191 -52.7174 -52.7174 -29.4169 -29.4169 -29.4088 -29.4088 -28.8030 -28.8030 -28.7900 -28.7900 -28.6945 -28.6945 -28.6919 -28.6919 -10.4128 -10.4128 -10.0529 -10.0529 -9.9419 -9.9419 -9.9375 -9.9375 -9.8761 -9.8761 -9.8356 -9.8356 -0.1216 -0.1216 0.1896 0.1896 0.4631 0.4631 0.6363 0.6363 0.7097 0.7097 1.1692 1.1692 1.4250 1.4250 1.5806 1.5806 1.6438 1.6438 1.7541 1.7541 1.8819 1.8819 2.0224 2.0224 2.3216 2.3216 2.4128 2.4128 2.5572 2.5572 2.9104 2.9104 3.0619 3.0619 3.2680 3.2680 5.5981 5.5981 5.6601 5.6601 5.8470 5.8470 5.9474 5.9474 6.1786 6.1786 6.2024 6.2024 7.1385 7.1385 7.2819 7.2819 k = 0.3485 0.2008-0.2389 ( 9527 PWs) bands (ev): -52.7192 -52.7192 -52.7174 -52.7174 -29.4172 -29.4172 -29.4086 -29.4086 -28.8033 -28.8033 -28.7897 -28.7897 -28.6945 -28.6945 -28.6919 -28.6919 -10.4314 -10.4314 -10.0460 -10.0460 -9.9356 -9.9356 -9.9319 -9.9319 -9.8748 -9.8748 -9.8341 -9.8341 -0.1169 -0.1169 0.1673 0.1673 0.4544 0.4544 0.6172 0.6172 0.7048 0.7048 1.1840 1.1840 1.4163 1.4163 1.5769 1.5769 1.6243 1.6243 1.7656 1.7656 1.8948 1.8948 2.0447 2.0447 2.3110 2.3110 2.3997 2.3997 2.5788 2.5788 2.9187 2.9187 3.0758 3.0758 3.2779 3.2779 5.6024 5.6024 5.6738 5.6738 5.8450 5.8450 5.9511 5.9511 6.1726 6.1726 6.1931 6.1931 7.1527 7.1527 7.2789 7.2789 k = 0.3333 0.1921-0.2285 ( 9527 PWs) bands (ev): -52.7192 -52.7192 -52.7174 -52.7174 -29.4174 -29.4174 -29.4084 -29.4084 -28.8036 -28.8036 -28.7893 -28.7893 -28.6945 -28.6945 -28.6919 -28.6919 -10.4498 -10.4498 -10.0403 -10.0403 -9.9311 -9.9311 -9.9236 -9.9236 -9.8732 -9.8732 -9.8325 -9.8325 -0.1117 -0.1117 0.1442 0.1442 0.4472 0.4472 0.5984 0.5984 0.7001 0.7001 1.1971 1.1971 1.4036 1.4036 1.5679 1.5679 1.6089 1.6089 1.7757 1.7757 1.9062 1.9062 2.0691 2.0691 2.2990 2.2990 2.3906 2.3906 2.6018 2.6018 2.9287 2.9287 3.0892 3.0892 3.2900 3.2900 5.6069 5.6069 5.6875 5.6875 5.8425 5.8425 5.9552 5.9552 6.1649 6.1649 6.1843 6.1843 7.1665 7.1665 7.2758 7.2758 k = 0.3182 0.1833-0.2181 ( 9528 PWs) bands (ev): -52.7192 -52.7192 -52.7173 -52.7173 -29.4176 -29.4176 -29.4081 -29.4081 -28.8039 -28.8039 -28.7890 -28.7890 -28.6945 -28.6945 -28.6919 -28.6919 -10.4679 -10.4679 -10.0354 -10.0354 -9.9269 -9.9269 -9.9143 -9.9143 -9.8715 -9.8715 -9.8308 -9.8308 -0.1059 -0.1059 0.1205 0.1205 0.4415 0.4415 0.5808 0.5808 0.6954 0.6954 1.2071 1.2071 1.3883 1.3883 1.5518 1.5518 1.6009 1.6009 1.7838 1.7838 1.9143 1.9143 2.0927 2.0927 2.2879 2.2879 2.3872 2.3872 2.6259 2.6259 2.9400 2.9400 3.1024 3.1024 3.3042 3.3042 5.6116 5.6116 5.7012 5.7012 5.8397 5.8397 5.9595 5.9595 6.1552 6.1552 6.1766 6.1766 7.1792 7.1792 7.2734 7.2734 k = 0.3030 0.1746-0.2077 ( 9526 PWs) bands (ev): -52.7193 -52.7193 -52.7173 -52.7173 -29.4178 -29.4178 -29.4079 -29.4079 -28.8043 -28.8043 -28.7887 -28.7887 -28.6945 -28.6945 -28.6919 -28.6919 -10.4858 -10.4858 -10.0313 -10.0313 -9.9228 -9.9228 -9.9049 -9.9049 -9.8695 -9.8695 -9.8289 -9.8289 -0.0996 -0.0996 0.0964 0.0964 0.4372 0.4372 0.5650 0.5650 0.6909 0.6909 1.2120 1.2120 1.3729 1.3729 1.5315 1.5315 1.5980 1.5980 1.7898 1.7898 1.9180 1.9180 2.1101 2.1101 2.2811 2.2811 2.3914 2.3914 2.6508 2.6508 2.9525 2.9525 3.1160 3.1160 3.3203 3.3203 5.6165 5.6165 5.7146 5.7146 5.8364 5.8364 5.9640 5.9640 6.1435 6.1435 6.1700 6.1700 7.1898 7.1898 7.2726 7.2726 k = 0.2879 0.1659-0.1973 ( 9518 PWs) bands (ev): -52.7193 -52.7193 -52.7173 -52.7173 -29.4180 -29.4180 -29.4077 -29.4077 -28.8046 -28.8046 -28.7884 -28.7884 -28.6945 -28.6945 -28.6918 -28.6918 -10.5032 -10.5032 -10.0279 -10.0279 -9.9187 -9.9187 -9.8957 -9.8957 -9.8671 -9.8671 -9.8269 -9.8269 -0.0927 -0.0927 0.0721 0.0721 0.4343 0.4343 0.5515 0.5515 0.6865 0.6865 1.2091 1.2091 1.3596 1.3596 1.5104 1.5104 1.5977 1.5977 1.7937 1.7937 1.9172 1.9172 2.1159 2.1159 2.2799 2.2799 2.4060 2.4060 2.6764 2.6764 2.9659 2.9659 3.1305 3.1305 3.3379 3.3379 5.6216 5.6216 5.7274 5.7274 5.8327 5.8327 5.9686 5.9686 6.1304 6.1304 6.1641 6.1641 7.1975 7.1975 7.2741 7.2741 k = 0.2727 0.1572-0.1870 ( 9523 PWs) bands (ev): -52.7193 -52.7193 -52.7172 -52.7172 -29.4182 -29.4182 -29.4075 -29.4075 -28.8049 -28.8049 -28.7880 -28.7880 -28.6946 -28.6946 -28.6918 -28.6918 -10.5201 -10.5201 -10.0248 -10.0248 -9.9146 -9.9146 -9.8873 -9.8873 -9.8640 -9.8640 -9.8248 -9.8248 -0.0853 -0.0853 0.0477 0.0477 0.4326 0.4326 0.5407 0.5407 0.6822 0.6822 1.1965 1.1965 1.3501 1.3501 1.4908 1.4908 1.5988 1.5988 1.7953 1.7953 1.9124 1.9124 2.1097 2.1097 2.2811 2.2811 2.4331 2.4331 2.7028 2.7028 2.9798 2.9798 3.1464 3.1464 3.3566 3.3566 5.6268 5.6268 5.7395 5.7395 5.8286 5.8286 5.9731 5.9731 6.1163 6.1163 6.1587 6.1587 7.2023 7.2023 7.2780 7.2780 k = 0.2576 0.1484-0.1766 ( 9531 PWs) bands (ev): -52.7194 -52.7194 -52.7172 -52.7172 -29.4184 -29.4184 -29.4073 -29.4073 -28.8052 -28.8052 -28.7877 -28.7877 -28.6946 -28.6946 -28.6918 -28.6918 -10.5364 -10.5364 -10.0221 -10.0221 -9.9106 -9.9106 -9.8802 -9.8802 -9.8598 -9.8598 -9.8226 -9.8226 -0.0774 -0.0774 0.0236 0.0236 0.4322 0.4322 0.5328 0.5328 0.6781 0.6781 1.1745 1.1745 1.3430 1.3430 1.4746 1.4746 1.6010 1.6010 1.7946 1.7946 1.9043 1.9043 2.0957 2.0957 2.2805 2.2805 2.4714 2.4714 2.7301 2.7301 2.9940 2.9940 3.1641 3.1641 3.3762 3.3762 5.6322 5.6322 5.7507 5.7507 5.8242 5.8242 5.9774 5.9774 6.1016 6.1016 6.1534 6.1534 7.2051 7.2051 7.2835 7.2835 k = 0.2424 0.1397-0.1662 ( 9531 PWs) bands (ev): -52.7194 -52.7194 -52.7171 -52.7171 -29.4186 -29.4186 -29.4071 -29.4071 -28.8055 -28.8055 -28.7874 -28.7874 -28.6946 -28.6946 -28.6918 -28.6918 -10.5521 -10.5521 -10.0197 -10.0197 -9.9066 -9.9066 -9.8749 -9.8749 -9.8543 -9.8543 -9.8202 -9.8202 -0.0694 -0.0694 0.0003 0.0003 0.4329 0.4329 0.5279 0.5279 0.6742 0.6742 1.1454 1.1454 1.3350 1.3350 1.4638 1.4638 1.6039 1.6039 1.7912 1.7912 1.8941 1.8941 2.0776 2.0776 2.2764 2.2764 2.5171 2.5171 2.7584 2.7584 3.0084 3.0084 3.1841 3.1841 3.3962 3.3962 5.6378 5.6378 5.7609 5.7609 5.8196 5.8196 5.9815 5.9815 6.0865 6.0865 6.1484 6.1484 7.2071 7.2071 7.2896 7.2896 k = 0.2273 0.1310-0.1558 ( 9520 PWs) bands (ev): -52.7194 -52.7194 -52.7171 -52.7171 -29.4188 -29.4188 -29.4069 -29.4069 -28.8057 -28.8057 -28.7871 -28.7871 -28.6946 -28.6946 -28.6918 -28.6918 -10.5671 -10.5671 -10.0175 -10.0175 -9.9026 -9.9026 -9.8711 -9.8711 -9.8478 -9.8478 -9.8177 -9.8177 -0.0628 -0.0628 -0.0203 -0.0203 0.4349 0.4349 0.5258 0.5258 0.6706 0.6706 1.1116 1.1116 1.3229 1.3229 1.4595 1.4595 1.6075 1.6075 1.7845 1.7845 1.8830 1.8830 2.0582 2.0582 2.2688 2.2688 2.5664 2.5664 2.7877 2.7877 3.0225 3.0225 3.2065 3.2065 3.4164 3.4164 5.6436 5.6436 5.7698 5.7698 5.8150 5.8150 5.9850 5.9850 6.0713 6.0713 6.1435 6.1435 7.2093 7.2093 7.2957 7.2957 k = 0.2121 0.1222-0.1454 ( 9516 PWs) bands (ev): -52.7195 -52.7195 -52.7171 -52.7171 -29.4190 -29.4190 -29.4067 -29.4067 -28.8060 -28.8060 -28.7868 -28.7868 -28.6947 -28.6947 -28.6918 -28.6918 -10.5814 -10.5814 -10.0155 -10.0155 -9.8988 -9.8988 -9.8683 -9.8683 -9.8410 -9.8410 -9.8151 -9.8151 -0.0652 -0.0652 -0.0306 -0.0306 0.4380 0.4380 0.5263 0.5263 0.6674 0.6674 1.0747 1.0747 1.3062 1.3062 1.4610 1.4610 1.6117 1.6117 1.7743 1.7743 1.8722 1.8722 2.0386 2.0386 2.2582 2.2582 2.6166 2.6166 2.8178 2.8178 3.0363 3.0363 3.2315 3.2315 3.4366 3.4366 5.6496 5.6496 5.7771 5.7771 5.8107 5.8107 5.9878 5.9878 6.0562 6.0562 6.1389 6.1389 7.2124 7.2124 7.3014 7.3014 k = 0.1970 0.1135-0.1350 ( 9519 PWs) bands (ev): -52.7195 -52.7195 -52.7171 -52.7171 -29.4191 -29.4191 -29.4065 -29.4065 -28.8063 -28.8063 -28.7866 -28.7866 -28.6947 -28.6947 -28.6918 -28.6918 -10.5949 -10.5949 -10.0136 -10.0136 -9.8950 -9.8950 -9.8661 -9.8661 -9.8345 -9.8345 -9.8123 -9.8123 -0.0812 -0.0812 -0.0255 -0.0255 0.4422 0.4422 0.5291 0.5291 0.6646 0.6646 1.0361 1.0361 1.2857 1.2857 1.4665 1.4665 1.6162 1.6162 1.7607 1.7607 1.8625 1.8625 2.0195 2.0195 2.2451 2.2451 2.6658 2.6658 2.8482 2.8482 3.0496 3.0496 3.2592 3.2592 3.4564 3.4564 5.6558 5.6558 5.7820 5.7820 5.8076 5.8076 5.9893 5.9893 6.0418 6.0418 6.1346 6.1346 7.2166 7.2166 7.3069 7.3069 k = 0.1818 0.1048-0.1246 ( 9517 PWs) bands (ev): -52.7195 -52.7195 -52.7170 -52.7170 -29.4193 -29.4193 -29.4063 -29.4063 -28.8065 -28.8065 -28.7863 -28.7863 -28.6947 -28.6947 -28.6918 -28.6918 -10.6076 -10.6076 -10.0118 -10.0118 -9.8914 -9.8914 -9.8643 -9.8643 -9.8284 -9.8284 -9.8094 -9.8094 -0.1015 -0.1015 -0.0143 -0.0143 0.4474 0.4474 0.5337 0.5337 0.6625 0.6625 0.9969 0.9969 1.2627 1.2627 1.4742 1.4742 1.6212 1.6212 1.7445 1.7445 1.8541 1.8541 2.0013 2.0013 2.2300 2.2300 2.7128 2.7128 2.8784 2.8784 3.0623 3.0623 3.2895 3.2895 3.4758 3.4758 5.6621 5.6621 5.7836 5.7836 5.8068 5.8068 5.9887 5.9887 6.0291 6.0291 6.1305 6.1305 7.2221 7.2221 7.3122 7.3122 k = 0.1667 0.0960-0.1142 ( 9519 PWs) bands (ev): -52.7195 -52.7195 -52.7170 -52.7170 -29.4195 -29.4195 -29.4062 -29.4062 -28.8067 -28.8067 -28.7861 -28.7861 -28.6947 -28.6947 -28.6918 -28.6918 -10.6193 -10.6193 -10.0102 -10.0102 -9.8880 -9.8880 -9.8627 -9.8627 -9.8230 -9.8230 -9.8062 -9.8062 -0.1219 -0.1219 -0.0009 -0.0009 0.4536 0.4536 0.5397 0.5397 0.6610 0.6610 0.9579 0.9579 1.2380 1.2380 1.4825 1.4825 1.6263 1.6263 1.7270 1.7270 1.8468 1.8468 1.9841 1.9841 2.2136 2.2136 2.7570 2.7570 2.9074 2.9074 3.0742 3.0742 3.3221 3.3221 3.4945 3.4945 5.6686 5.6686 5.7818 5.7818 5.8084 5.8084 5.9845 5.9845 6.0196 6.0196 6.1268 6.1268 7.2288 7.2288 7.3173 7.3173 k = 0.1515 0.0873-0.1039 ( 9518 PWs) bands (ev): -52.7196 -52.7196 -52.7170 -52.7170 -29.4196 -29.4196 -29.4060 -29.4060 -28.8069 -28.8069 -28.7859 -28.7859 -28.6947 -28.6947 -28.6918 -28.6918 -10.6302 -10.6302 -10.0087 -10.0087 -9.8847 -9.8847 -9.8613 -9.8613 -9.8184 -9.8184 -9.8029 -9.8029 -0.1416 -0.1416 0.0140 0.0140 0.4604 0.4604 0.5462 0.5462 0.6605 0.6605 0.9199 0.9199 1.2124 1.2124 1.4907 1.4907 1.6315 1.6315 1.7095 1.7095 1.8400 1.8400 1.9679 1.9679 2.1963 2.1963 2.7981 2.7981 2.9345 2.9345 3.0853 3.0853 3.3566 3.3566 3.5124 3.5124 5.6751 5.6751 5.7780 5.7780 5.8111 5.8111 5.9756 5.9756 6.0145 6.0145 6.1235 6.1235 7.2366 7.2366 7.3225 7.3225 k = 0.1364 0.0786-0.0935 ( 9510 PWs) bands (ev): -52.7196 -52.7196 -52.7170 -52.7170 -29.4197 -29.4197 -29.4059 -29.4059 -28.8071 -28.8071 -28.7857 -28.7857 -28.6947 -28.6947 -28.6918 -28.6918 -10.6401 -10.6401 -10.0073 -10.0073 -9.8816 -9.8816 -9.8602 -9.8602 -9.8145 -9.8145 -9.7995 -9.7995 -0.1601 -0.1601 0.0299 0.0299 0.4677 0.4677 0.5526 0.5526 0.6610 0.6610 0.8840 0.8840 1.1861 1.1861 1.4977 1.4977 1.6364 1.6364 1.6935 1.6935 1.8335 1.8335 1.9527 1.9527 2.1789 2.1789 2.8359 2.8359 2.9589 2.9589 3.0956 3.0956 3.3922 3.3922 3.5294 3.5294 5.6815 5.6815 5.7737 5.7737 5.8140 5.8140 5.9638 5.9638 6.0122 6.0122 6.1206 6.1206 7.2452 7.2452 7.3278 7.3278 k = 0.1212 0.0698-0.0831 ( 9502 PWs) bands (ev): -52.7196 -52.7196 -52.7169 -52.7169 -29.4198 -29.4198 -29.4058 -29.4058 -28.8073 -28.8073 -28.7855 -28.7855 -28.6947 -28.6947 -28.6918 -28.6918 -10.6491 -10.6491 -10.0061 -10.0061 -9.8787 -9.8787 -9.8592 -9.8592 -9.8112 -9.8112 -9.7962 -9.7962 -0.1771 -0.1771 0.0466 0.0466 0.4751 0.4751 0.5580 0.5580 0.6626 0.6626 0.8511 0.8511 1.1595 1.1595 1.5032 1.5032 1.6403 1.6403 1.6807 1.6807 1.8271 1.8271 1.9386 1.9386 2.1618 2.1618 2.8706 2.8706 2.9802 2.9802 3.1048 3.1048 3.4279 3.4279 3.5454 3.5454 5.6878 5.6878 5.7693 5.7693 5.8165 5.8165 5.9508 5.9508 6.0111 6.0111 6.1181 6.1181 7.2543 7.2543 7.3333 7.3333 k = 0.1061 0.0611-0.0727 ( 9498 PWs) bands (ev): -52.7196 -52.7196 -52.7169 -52.7169 -29.4199 -29.4199 -29.4057 -29.4057 -28.8074 -28.8074 -28.7853 -28.7853 -28.6947 -28.6947 -28.6918 -28.6918 -10.6571 -10.6571 -10.0050 -10.0050 -9.8760 -9.8760 -9.8584 -9.8584 -9.8085 -9.8085 -9.7931 -9.7931 -0.1924 -0.1924 0.0638 0.0638 0.4821 0.4821 0.5618 0.5618 0.6647 0.6647 0.8229 0.8229 1.1330 1.1330 1.5068 1.5068 1.6415 1.6415 1.6734 1.6734 1.8206 1.8206 1.9257 1.9257 2.1456 2.1456 2.9022 2.9022 2.9981 2.9981 3.1130 3.1130 3.4624 3.4624 3.5604 3.5604 5.6936 5.6936 5.7654 5.7654 5.8186 5.8186 5.9378 5.9378 6.0104 6.0104 6.1160 6.1160 7.2635 7.2635 7.3390 7.3390 k = 0.0909 0.0524-0.0623 ( 9493 PWs) bands (ev): -52.7196 -52.7196 -52.7169 -52.7169 -29.4200 -29.4200 -29.4055 -29.4055 -28.8076 -28.8076 -28.7851 -28.7851 -28.6947 -28.6947 -28.6918 -28.6918 -10.6640 -10.6640 -10.0040 -10.0040 -9.8736 -9.8736 -9.8578 -9.8578 -9.8061 -9.8061 -9.7903 -9.7903 -0.2060 -0.2060 0.0811 0.0811 0.4881 0.4881 0.5637 0.5637 0.6663 0.6663 0.8011 0.8011 1.1070 1.1070 1.5082 1.5082 1.6393 1.6393 1.6724 1.6724 1.8141 1.8141 1.9140 1.9140 2.1308 2.1308 2.9307 2.9307 3.0127 3.0127 3.1200 3.1200 3.4944 3.4944 3.5746 3.5746 5.6989 5.6989 5.7623 5.7623 5.8204 5.8204 5.9253 5.9253 6.0097 6.0097 6.1144 6.1144 7.2724 7.2724 7.3451 7.3451 k = 0.0758 0.0437-0.0519 ( 9495 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4201 -29.4201 -29.4055 -29.4055 -28.8077 -28.8077 -28.7850 -28.7850 -28.6948 -28.6948 -28.6918 -28.6918 -10.6700 -10.6700 -10.0031 -10.0031 -9.8714 -9.8714 -9.8574 -9.8574 -9.8042 -9.8042 -9.7879 -9.7879 -0.2177 -0.2177 0.0980 0.0980 0.4926 0.4926 0.5639 0.5639 0.6658 0.6658 0.7876 0.7876 1.0818 1.0818 1.5079 1.5079 1.6359 1.6359 1.6754 1.6754 1.8075 1.8075 1.9038 1.9038 2.1178 2.1178 2.9560 2.9560 3.0240 3.0240 3.1256 3.1256 3.5223 3.5223 3.5883 3.5883 5.7032 5.7032 5.7600 5.7600 5.8219 5.8219 5.9137 5.9137 6.0090 6.0090 6.1131 6.1131 7.2805 7.2805 7.3514 7.3514 k = 0.0606 0.0349-0.0415 ( 9491 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4201 -29.4201 -29.4054 -29.4054 -28.8078 -28.8078 -28.7849 -28.7849 -28.6947 -28.6947 -28.6918 -28.6918 -10.6748 -10.6748 -10.0024 -10.0024 -9.8695 -9.8695 -9.8571 -9.8571 -9.8026 -9.8026 -9.7860 -9.7860 -0.2274 -0.2274 0.1139 0.1139 0.4949 0.4949 0.5633 0.5633 0.6626 0.6626 0.7829 0.7829 1.0583 1.0583 1.5063 1.5063 1.6331 1.6331 1.6799 1.6799 1.8013 1.8013 1.8951 1.8951 2.1068 2.1068 2.9780 2.9780 3.0323 3.0323 3.1300 3.1300 3.5447 3.5447 3.6015 3.6015 5.7065 5.7065 5.7588 5.7588 5.8231 5.8231 5.9034 5.9034 6.0082 6.0082 6.1121 6.1121 7.2875 7.2875 7.3581 7.3581 k = 0.0455 0.0262-0.0312 ( 9484 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4202 -29.4202 -29.4053 -29.4053 -28.8078 -28.8078 -28.7848 -28.7848 -28.6947 -28.6947 -28.6918 -28.6918 -10.6786 -10.6786 -10.0019 -10.0019 -9.8679 -9.8679 -9.8570 -9.8570 -9.8014 -9.8014 -9.7844 -9.7844 -0.2350 -0.2350 0.1278 0.1278 0.4947 0.4947 0.5628 0.5628 0.6576 0.6576 0.7848 0.7848 1.0375 1.0375 1.5042 1.5042 1.6313 1.6313 1.6844 1.6844 1.7956 1.7956 1.8882 1.8882 2.0981 2.0981 2.9965 2.9965 3.0375 3.0375 3.1330 3.1330 3.5610 3.5610 3.6141 3.6141 5.7088 5.7088 5.7586 5.7586 5.8242 5.8242 5.8946 5.8946 6.0076 6.0076 6.1114 6.1114 7.2931 7.2931 7.3649 7.3649 k = 0.0303 0.0175-0.0208 ( 9478 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7848 -28.7848 -28.6947 -28.6947 -28.6918 -28.6918 -10.6813 -10.6813 -10.0015 -10.0015 -9.8667 -9.8667 -9.8570 -9.8570 -9.8005 -9.8005 -9.7833 -9.7833 -0.2405 -0.2405 0.1389 0.1389 0.4927 0.4927 0.5627 0.5627 0.6528 0.6528 0.7899 0.7899 1.0206 1.0206 1.5022 1.5022 1.6305 1.6305 1.6883 1.6883 1.7911 1.7911 1.8832 1.8832 2.0918 2.0918 3.0114 3.0114 3.0399 3.0399 3.1350 3.1350 3.5717 3.5717 3.6247 3.6247 5.7101 5.7101 5.7589 5.7589 5.8251 5.8251 5.8877 5.8877 6.0070 6.0070 6.1110 6.1110 7.2972 7.2972 7.3716 7.3716 k = 0.0152 0.0087-0.0104 ( 9477 PWs) bands (ev): -52.7197 -52.7197 -52.7168 -52.7168 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7847 -28.7847 -28.6947 -28.6947 -28.6918 -28.6918 -10.6830 -10.6830 -10.0013 -10.0013 -9.8659 -9.8659 -9.8571 -9.8571 -9.7999 -9.7999 -9.7827 -9.7827 -0.2438 -0.2438 0.1460 0.1460 0.4906 0.4906 0.5630 0.5630 0.6494 0.6494 0.7947 0.7947 1.0093 1.0093 1.5008 1.5008 1.6301 1.6301 1.6908 1.6908 1.7881 1.7881 1.8801 1.8801 2.0880 2.0880 3.0220 3.0220 3.0398 3.0398 3.1360 3.1360 3.5776 3.5776 3.6318 3.6318 5.7107 5.7107 5.7593 5.7593 5.8258 5.8258 5.8834 5.8834 6.0067 6.0067 6.1107 6.1107 7.2997 7.2997 7.3776 7.3776 k = 0.0000 0.0000 0.0000 ( 9487 PWs) bands (ev): -52.7197 -52.7197 -52.7168 -52.7168 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7847 -28.7847 -28.6947 -28.6947 -28.6918 -28.6918 -10.6835 -10.6835 -10.0012 -10.0012 -9.8656 -9.8656 -9.8571 -9.8571 -9.7997 -9.7997 -9.7824 -9.7824 -0.2449 -0.2449 0.1485 0.1485 0.4897 0.4897 0.5632 0.5632 0.6483 0.6483 0.7966 0.7966 1.0054 1.0054 1.5003 1.5003 1.6300 1.6300 1.6917 1.6917 1.7870 1.7870 1.8791 1.8791 2.0867 2.0867 3.0264 3.0264 3.0389 3.0389 3.1364 3.1364 3.5795 3.5795 3.6343 3.6343 5.7109 5.7109 5.7595 5.7595 5.8261 5.8261 5.8819 5.8819 6.0066 6.0066 6.1106 6.1106 7.3005 7.3005 7.3810 7.3810 k = 0.0000 0.0000 0.0000 ( 9487 PWs) bands (ev): -52.7197 -52.7197 -52.7168 -52.7168 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7847 -28.7847 -28.6947 -28.6947 -28.6918 -28.6918 -10.6835 -10.6835 -10.0012 -10.0012 -9.8656 -9.8656 -9.8571 -9.8571 -9.7997 -9.7997 -9.7824 -9.7824 -0.2449 -0.2449 0.1485 0.1485 0.4897 0.4897 0.5632 0.5632 0.6483 0.6483 0.7966 0.7966 1.0054 1.0054 1.5003 1.5003 1.6300 1.6300 1.6917 1.6917 1.7870 1.7870 1.8791 1.8791 2.0867 2.0867 3.0264 3.0264 3.0389 3.0389 3.1364 3.1364 3.5795 3.5795 3.6343 3.6343 5.7109 5.7109 5.7595 5.7595 5.8261 5.8261 5.8819 5.8819 6.0066 6.0066 6.1106 6.1106 7.3005 7.3005 7.3810 7.3810 k = 0.0000 0.0000 0.0199 ( 9479 PWs) bands (ev): -52.7197 -52.7197 -52.7168 -52.7168 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7847 -28.7847 -28.6947 -28.6947 -28.6918 -28.6918 -10.6831 -10.6831 -10.0016 -10.0016 -9.8657 -9.8657 -9.8572 -9.8572 -9.7997 -9.7997 -9.7825 -9.7825 -0.2429 -0.2429 0.1479 0.1479 0.4886 0.4886 0.5651 0.5651 0.6478 0.6478 0.7983 0.7983 1.0062 1.0062 1.4994 1.4994 1.6291 1.6291 1.6909 1.6909 1.7873 1.7873 1.8792 1.8792 2.0875 2.0875 3.0242 3.0242 3.0387 3.0387 3.1359 3.1359 3.5764 3.5764 3.6337 3.6337 5.7111 5.7111 5.7595 5.7595 5.8267 5.8267 5.8819 5.8819 6.0069 6.0069 6.1110 6.1110 7.2997 7.2997 7.3742 7.3742 k = 0.0000 0.0000 0.0397 ( 9486 PWs) bands (ev): -52.7197 -52.7197 -52.7168 -52.7168 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7847 -28.7847 -28.6948 -28.6948 -28.6918 -28.6918 -10.6818 -10.6818 -10.0030 -10.0030 -9.8658 -9.8658 -9.8575 -9.8575 -9.7997 -9.7997 -9.7825 -9.7825 -0.2369 -0.2369 0.1462 0.1462 0.4857 0.4857 0.5706 0.5706 0.6464 0.6464 0.8033 0.8033 1.0086 1.0086 1.4969 1.4969 1.6263 1.6263 1.6883 1.6883 1.7881 1.7881 1.8796 1.8796 2.0898 2.0898 3.0180 3.0180 3.0377 3.0377 3.1345 3.1345 3.5673 3.5673 3.6323 3.6323 5.7115 5.7115 5.7594 5.7594 5.8286 5.8286 5.8819 5.8819 6.0080 6.0080 6.1121 6.1121 7.2972 7.2972 7.3643 7.3643 k = 0.0000 0.0000 0.0596 ( 9489 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7847 -28.7847 -28.6948 -28.6948 -28.6918 -28.6918 -10.6796 -10.6796 -10.0052 -10.0052 -9.8659 -9.8659 -9.8579 -9.8579 -9.7997 -9.7997 -9.7826 -9.7826 -0.2269 -0.2269 0.1435 0.1435 0.4817 0.4817 0.5786 0.5786 0.6444 0.6444 0.8113 0.8113 1.0125 1.0125 1.4927 1.4927 1.6219 1.6219 1.6843 1.6843 1.7893 1.7893 1.8801 1.8801 2.0936 2.0936 3.0080 3.0080 3.0355 3.0355 3.1322 3.1322 3.5525 3.5525 3.6300 3.6300 5.7121 5.7121 5.7592 5.7592 5.8318 5.8318 5.8819 5.8819 6.0097 6.0097 6.1138 6.1138 7.2933 7.2933 7.3544 7.3544 k = 0.0000 0.0000 0.0794 ( 9492 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4203 -29.4203 -29.4053 -29.4053 -28.8080 -28.8080 -28.7847 -28.7847 -28.6948 -28.6948 -28.6917 -28.6917 -10.6765 -10.6765 -10.0084 -10.0084 -9.8662 -9.8662 -9.8585 -9.8585 -9.7996 -9.7996 -9.7827 -9.7827 -0.2129 -0.2129 0.1397 0.1397 0.4776 0.4776 0.5884 0.5884 0.6424 0.6424 0.8216 0.8216 1.0178 1.0178 1.4872 1.4872 1.6162 1.6162 1.6789 1.6789 1.7905 1.7905 1.8808 1.8808 2.0987 2.0987 2.9940 2.9940 3.0320 3.0320 3.1290 3.1290 3.5326 3.5326 3.6272 3.6272 5.7128 5.7128 5.7590 5.7590 5.8361 5.8361 5.8820 5.8820 6.0121 6.0121 6.1162 6.1162 7.2880 7.2880 7.3446 7.3446 k = 0.0000 0.0000 0.0993 ( 9496 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4203 -29.4203 -29.4053 -29.4053 -28.8080 -28.8080 -28.7847 -28.7847 -28.6948 -28.6948 -28.6918 -28.6918 -10.6726 -10.6726 -10.0125 -10.0125 -9.8665 -9.8665 -9.8592 -9.8592 -9.7995 -9.7995 -9.7829 -9.7829 -0.1950 -0.1950 0.1351 0.1351 0.4737 0.4737 0.5992 0.5992 0.6409 0.6409 0.8338 0.8338 1.0243 1.0243 1.4805 1.4805 1.6094 1.6094 1.6724 1.6724 1.7916 1.7916 1.8815 1.8815 2.1050 2.1050 2.9757 2.9757 3.0272 3.0272 3.1249 3.1249 3.5086 3.5086 3.6237 3.6237 5.7137 5.7137 5.7588 5.7588 5.8415 5.8415 5.8820 5.8820 6.0150 6.0150 6.1191 6.1191 7.2817 7.2817 7.3352 7.3352 k = 0.0000 0.0000 0.1191 ( 9501 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4203 -29.4203 -29.4053 -29.4053 -28.8080 -28.8080 -28.7847 -28.7847 -28.6948 -28.6948 -28.6918 -28.6918 -10.6679 -10.6679 -10.0174 -10.0174 -9.8669 -9.8669 -9.8599 -9.8599 -9.7994 -9.7994 -9.7831 -9.7831 -0.1734 -0.1734 0.1296 0.1296 0.4705 0.4705 0.6100 0.6100 0.6405 0.6405 0.8475 0.8475 1.0316 1.0316 1.4729 1.4729 1.6018 1.6018 1.6651 1.6651 1.7925 1.7925 1.8821 1.8821 2.1123 2.1123 2.9523 2.9523 3.0214 3.0214 3.1200 3.1200 3.4816 3.4816 3.6196 3.6196 5.7145 5.7145 5.7586 5.7586 5.8478 5.8478 5.8820 5.8820 6.0183 6.0183 6.1225 6.1225 7.2746 7.2746 7.3262 7.3262 k = 0.0000 0.0000 0.1390 ( 9497 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4203 -29.4203 -29.4053 -29.4053 -28.8080 -28.8080 -28.7847 -28.7847 -28.6948 -28.6948 -28.6918 -28.6918 -10.6624 -10.6624 -10.0233 -10.0233 -9.8673 -9.8673 -9.8606 -9.8606 -9.7993 -9.7993 -9.7833 -9.7833 -0.1481 -0.1481 0.1235 0.1235 0.4683 0.4683 0.6198 0.6198 0.6423 0.6423 0.8620 0.8620 1.0396 1.0396 1.4648 1.4648 1.5936 1.5936 1.6571 1.6571 1.7929 1.7929 1.8827 1.8827 2.1202 2.1202 2.9236 2.9236 3.0145 3.0145 3.1143 3.1143 3.4530 3.4530 3.6150 3.6150 5.7154 5.7154 5.7585 5.7585 5.8548 5.8548 5.8820 5.8820 6.0220 6.0220 6.1262 6.1262 7.2671 7.2671 7.3178 7.3178 k = 0.0000 0.0000 0.1589 ( 9495 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4203 -29.4203 -29.4053 -29.4053 -28.8080 -28.8080 -28.7847 -28.7847 -28.6948 -28.6948 -28.6917 -28.6917 -10.6562 -10.6562 -10.0301 -10.0301 -9.8679 -9.8679 -9.8613 -9.8613 -9.7991 -9.7991 -9.7836 -9.7836 -0.1192 -0.1192 0.1170 0.1170 0.4671 0.4671 0.6269 0.6269 0.6477 0.6477 0.8771 0.8771 1.0478 1.0478 1.4566 1.4566 1.5851 1.5851 1.6487 1.6487 1.7930 1.7930 1.8830 1.8830 2.1284 2.1284 2.8889 2.8889 3.0067 3.0067 3.1079 3.1079 3.4239 3.4239 3.6100 3.6100 5.7163 5.7163 5.7584 5.7584 5.8623 5.8623 5.8820 5.8820 6.0260 6.0260 6.1303 6.1303 7.2594 7.2594 7.3100 7.3100 k = 0.0000 0.0000 0.1787 ( 9490 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4203 -29.4203 -29.4052 -29.4052 -28.8080 -28.8080 -28.7847 -28.7847 -28.6948 -28.6948 -28.6917 -28.6917 -10.6492 -10.6492 -10.0378 -10.0378 -9.8685 -9.8685 -9.8620 -9.8620 -9.7990 -9.7990 -9.7839 -9.7839 -0.0869 -0.0869 0.1101 0.1101 0.4670 0.4670 0.6316 0.6316 0.6564 0.6564 0.8921 0.8921 1.0559 1.0559 1.4488 1.4488 1.5764 1.5764 1.6402 1.6402 1.7928 1.7928 1.8833 1.8833 2.1366 2.1366 2.8483 2.8483 2.9982 2.9982 3.1008 3.1008 3.3955 3.3955 3.6044 3.6044 5.7172 5.7172 5.7585 5.7585 5.8700 5.8700 5.8820 5.8820 6.0300 6.0300 6.1345 6.1345 7.2518 7.2518 7.3027 7.3027 k = 0.0000 0.0000 0.1986 ( 9486 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4203 -29.4203 -29.4052 -29.4052 -28.8080 -28.8080 -28.7847 -28.7847 -28.6948 -28.6948 -28.6917 -28.6917 -10.6415 -10.6415 -10.0462 -10.0462 -9.8691 -9.8691 -9.8626 -9.8626 -9.7987 -9.7987 -9.7842 -9.7842 -0.0515 -0.0515 0.1030 0.1030 0.4682 0.4682 0.6356 0.6356 0.6665 0.6665 0.9068 0.9068 1.0637 1.0637 1.4416 1.4416 1.5678 1.5678 1.6318 1.6318 1.7922 1.7922 1.8833 1.8833 2.1444 2.1444 2.8019 2.8019 2.9889 2.9889 3.0932 3.0932 3.3686 3.3686 3.5985 3.5985 5.7181 5.7181 5.7587 5.7587 5.8775 5.8775 5.8822 5.8822 6.0341 6.0341 6.1389 6.1389 7.2445 7.2445 7.2962 7.2962 k = 0.0000 0.0000 0.2184 ( 9484 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4203 -29.4203 -29.4052 -29.4052 -28.8080 -28.8080 -28.7847 -28.7847 -28.6948 -28.6948 -28.6917 -28.6917 -10.6332 -10.6332 -10.0554 -10.0554 -9.8698 -9.8698 -9.8632 -9.8632 -9.7985 -9.7985 -9.7846 -9.7846 -0.0132 -0.0132 0.0959 0.0959 0.4706 0.4706 0.6401 0.6401 0.6764 0.6764 0.9206 0.9206 1.0709 1.0709 1.4355 1.4355 1.5597 1.5597 1.6237 1.6237 1.7912 1.7912 1.8832 1.8832 2.1513 2.1513 2.7503 2.7503 2.9791 2.9791 3.0852 3.0852 3.3436 3.3436 3.5922 3.5922 5.7191 5.7191 5.7592 5.7592 5.8809 5.8809 5.8865 5.8865 6.0381 6.0381 6.1432 6.1432 7.2377 7.2377 7.2903 7.2903 k = 0.0000 0.0000 0.2383 ( 9482 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4203 -29.4203 -29.4052 -29.4052 -28.8080 -28.8080 -28.7847 -28.7847 -28.6948 -28.6948 -28.6917 -28.6917 -10.6244 -10.6244 -10.0653 -10.0653 -9.8705 -9.8705 -9.8637 -9.8637 -9.7982 -9.7982 -9.7850 -9.7850 0.0271 0.0271 0.0896 0.0896 0.4742 0.4742 0.6457 0.6457 0.6856 0.6856 0.9329 0.9329 1.0772 1.0772 1.4307 1.4307 1.5522 1.5522 1.6161 1.6161 1.7900 1.7900 1.8829 1.8829 2.1567 2.1567 2.6944 2.6944 2.9689 2.9689 3.0768 3.0768 3.3207 3.3207 3.5857 3.5857 5.7202 5.7202 5.7598 5.7598 5.8809 5.8809 5.8939 5.8939 6.0420 6.0420 6.1474 6.1474 7.2315 7.2315 7.2853 7.2853 k = 0.0000 0.0000 0.2581 ( 9480 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4203 -29.4203 -29.4052 -29.4052 -28.8080 -28.8080 -28.7847 -28.7847 -28.6948 -28.6948 -28.6917 -28.6917 -10.6151 -10.6151 -10.0758 -10.0758 -9.8711 -9.8711 -9.8642 -9.8642 -9.7979 -9.7979 -9.7854 -9.7854 0.0643 0.0643 0.0890 0.0890 0.4791 0.4791 0.6524 0.6524 0.6935 0.6935 0.9434 0.9434 1.0827 1.0827 1.4274 1.4274 1.5456 1.5456 1.6094 1.6094 1.7885 1.7885 1.8823 1.8823 2.1599 2.1599 2.6359 2.6359 2.9583 2.9583 3.0681 3.0681 3.3000 3.3000 3.5790 3.5790 5.7215 5.7215 5.7606 5.7606 5.8807 5.8807 5.9011 5.9011 6.0456 6.0456 6.1513 6.1513 7.2260 7.2260 7.2811 7.2811 k = 0.0000 0.0000 0.2780 ( 9474 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4202 -29.4202 -29.4052 -29.4052 -28.8079 -28.8079 -28.7847 -28.7847 -28.6948 -28.6948 -28.6917 -28.6917 -10.6053 -10.6053 -10.0868 -10.0868 -9.8717 -9.8717 -9.8646 -9.8646 -9.7976 -9.7976 -9.7858 -9.7858 0.0699 0.0699 0.1222 0.1222 0.4852 0.4852 0.6604 0.6604 0.7001 0.7001 0.9515 0.9515 1.0873 1.0873 1.4255 1.4255 1.5404 1.5404 1.6038 1.6038 1.7867 1.7867 1.8816 1.8816 2.1598 2.1598 2.5766 2.5766 2.9475 2.9475 3.0594 3.0594 3.2814 3.2814 3.5722 3.5722 5.7228 5.7228 5.7617 5.7617 5.8805 5.8805 5.9080 5.9080 6.0490 6.0490 6.1551 6.1551 7.2213 7.2213 7.2778 7.2778 k = 0.0000 0.0000 0.2979 ( 9477 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4202 -29.4202 -29.4052 -29.4052 -28.8079 -28.8079 -28.7847 -28.7847 -28.6947 -28.6947 -28.6917 -28.6917 -10.5953 -10.5953 -10.0981 -10.0981 -9.8722 -9.8722 -9.8650 -9.8650 -9.7973 -9.7973 -9.7863 -9.7863 0.0646 0.0646 0.1684 0.1684 0.4925 0.4925 0.6696 0.6696 0.7051 0.7051 0.9568 0.9568 1.0912 1.0912 1.4250 1.4250 1.5366 1.5366 1.5994 1.5994 1.7845 1.7845 1.8807 1.8807 2.1550 2.1550 2.5189 2.5189 2.9366 2.9366 3.0506 3.0506 3.2646 3.2646 3.5655 3.5655 5.7242 5.7242 5.7629 5.7629 5.8802 5.8802 5.9144 5.9144 6.0520 6.0520 6.1585 6.1585 7.2175 7.2175 7.2755 7.2755 k = 0.0000 0.0000 0.3177 ( 9476 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4202 -29.4202 -29.4052 -29.4052 -28.8079 -28.8079 -28.7847 -28.7847 -28.6947 -28.6947 -28.6917 -28.6917 -10.5851 -10.5851 -10.1096 -10.1096 -9.8727 -9.8727 -9.8654 -9.8654 -9.7969 -9.7969 -9.7868 -9.7868 0.0586 0.0586 0.2167 0.2167 0.5010 0.5010 0.6798 0.6798 0.7085 0.7085 0.9588 0.9588 1.0947 1.0947 1.4258 1.4258 1.5344 1.5344 1.5963 1.5963 1.7817 1.7817 1.8796 1.8796 2.1435 2.1435 2.4659 2.4659 2.9258 2.9258 3.0419 3.0419 3.2496 3.2496 3.5589 3.5589 5.7257 5.7257 5.7643 5.7643 5.8798 5.8798 5.9203 5.9203 6.0546 6.0546 6.1616 6.1616 7.2145 7.2145 7.2741 7.2741 k = 0.0000 0.0000 0.3376 ( 9483 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7847 -28.7847 -28.6948 -28.6948 -28.6917 -28.6917 -10.5749 -10.5749 -10.1212 -10.1212 -9.8732 -9.8732 -9.8657 -9.8657 -9.7965 -9.7965 -9.7872 -9.7872 0.0528 0.0528 0.2657 0.2657 0.5105 0.5105 0.6904 0.6904 0.7108 0.7108 0.9576 0.9576 1.0979 1.0979 1.4276 1.4276 1.5339 1.5339 1.5948 1.5948 1.7782 1.7782 1.8782 1.8782 2.1231 2.1231 2.4211 2.4211 2.9152 2.9152 3.0336 3.0336 3.2362 3.2362 3.5525 3.5525 5.7272 5.7272 5.7659 5.7659 5.8795 5.8795 5.9256 5.9256 6.0569 6.0569 6.1643 6.1643 7.2123 7.2123 7.2737 7.2737 k = 0.0000 0.0000 0.3574 ( 9484 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7847 -28.7847 -28.6947 -28.6947 -28.6917 -28.6917 -10.5648 -10.5648 -10.1325 -10.1325 -9.8735 -9.8735 -9.8660 -9.8660 -9.7961 -9.7961 -9.7878 -9.7878 0.0474 0.0474 0.3145 0.3145 0.5209 0.5209 0.6986 0.6986 0.7149 0.7149 0.9531 0.9531 1.1011 1.1011 1.4302 1.4302 1.5350 1.5350 1.5946 1.5946 1.7736 1.7736 1.8766 1.8766 2.0929 2.0929 2.3868 2.3868 2.9050 2.9050 3.0256 3.0256 3.2243 3.2243 3.5465 3.5465 5.7287 5.7287 5.7674 5.7674 5.8791 5.8791 5.9304 5.9304 6.0587 6.0587 6.1666 6.1666 7.2109 7.2109 7.2744 7.2744 k = 0.0000 0.0000 0.3773 ( 9495 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4203 -29.4203 -29.4053 -29.4053 -28.8080 -28.8080 -28.7847 -28.7847 -28.6948 -28.6948 -28.6917 -28.6917 -10.5550 -10.5550 -10.1435 -10.1435 -9.8738 -9.8738 -9.8663 -9.8663 -9.7957 -9.7957 -9.7883 -9.7883 0.0424 0.0424 0.3622 0.3622 0.5323 0.5323 0.7001 0.7001 0.7251 0.7251 0.9457 0.9457 1.1043 1.1043 1.4334 1.4334 1.5373 1.5373 1.5959 1.5959 1.7677 1.7677 1.8746 1.8746 2.0545 2.0545 2.3631 2.3631 2.8953 2.8953 3.0182 3.0182 3.2139 3.2139 3.5409 3.5409 5.7303 5.7303 5.7690 5.7690 5.8787 5.8787 5.9346 5.9346 6.0602 6.0602 6.1685 6.1685 7.2101 7.2101 7.2761 7.2761 k = 0.0000 0.0000 0.3971 ( 9512 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4203 -29.4203 -29.4053 -29.4053 -28.8080 -28.8080 -28.7848 -28.7848 -28.6948 -28.6948 -28.6917 -28.6917 -10.5457 -10.5457 -10.1539 -10.1539 -9.8741 -9.8741 -9.8666 -9.8666 -9.7952 -9.7952 -9.7888 -9.7888 0.0381 0.0381 0.4074 0.4074 0.5443 0.5443 0.6970 0.6970 0.7394 0.7394 0.9357 0.9357 1.1077 1.1077 1.4371 1.4371 1.5407 1.5407 1.5984 1.5984 1.7596 1.7596 1.8722 1.8722 2.0122 2.0122 2.3478 2.3478 2.8865 2.8865 3.0115 3.0115 3.2048 3.2048 3.5359 3.5359 5.7317 5.7317 5.7706 5.7706 5.8784 5.8784 5.9383 5.9383 6.0614 6.0614 6.1701 6.1701 7.2099 7.2099 7.2788 7.2788 k = 0.0000 0.0000 0.4170 ( 9520 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4203 -29.4203 -29.4053 -29.4053 -28.8080 -28.8080 -28.7848 -28.7848 -28.6948 -28.6948 -28.6918 -28.6918 -10.5372 -10.5372 -10.1634 -10.1634 -9.8742 -9.8742 -9.8668 -9.8668 -9.7947 -9.7947 -9.7893 -9.7893 0.0343 0.0343 0.4489 0.4489 0.5567 0.5567 0.6918 0.6918 0.7554 0.7554 0.9236 0.9236 1.1112 1.1112 1.4409 1.4409 1.5448 1.5448 1.6019 1.6019 1.7484 1.7484 1.8690 1.8690 1.9711 1.9711 2.3384 2.3384 2.8786 2.8786 3.0056 3.0056 3.1972 3.1972 3.5315 3.5315 5.7330 5.7330 5.7721 5.7721 5.8781 5.8781 5.9413 5.9413 6.0623 6.0623 6.1714 6.1714 7.2101 7.2101 7.2826 7.2826 k = 0.0000 0.0000 0.4369 ( 9525 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4203 -29.4203 -29.4053 -29.4053 -28.8080 -28.8080 -28.7848 -28.7848 -28.6948 -28.6948 -28.6918 -28.6918 -10.5297 -10.5297 -10.1718 -10.1718 -9.8744 -9.8744 -9.8670 -9.8670 -9.7942 -9.7942 -9.7899 -9.7899 0.0312 0.0312 0.4854 0.4854 0.5691 0.5691 0.6856 0.6856 0.7725 0.7725 0.9097 0.9097 1.1149 1.1149 1.4447 1.4447 1.5494 1.5494 1.6064 1.6064 1.7333 1.7333 1.8644 1.8644 1.9368 1.9368 2.3327 2.3327 2.8718 2.8718 3.0006 3.0006 3.1909 3.1909 3.5277 3.5277 5.7342 5.7342 5.7734 5.7734 5.8779 5.8779 5.9438 5.9438 6.0629 6.0629 6.1724 6.1724 7.2106 7.2106 7.2874 7.2874 k = 0.0000 0.0000 0.4567 ( 9529 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4203 -29.4203 -29.4053 -29.4053 -28.8080 -28.8080 -28.7848 -28.7848 -28.6948 -28.6948 -28.6918 -28.6918 -10.5235 -10.5235 -10.1787 -10.1787 -9.8745 -9.8745 -9.8671 -9.8671 -9.7937 -9.7937 -9.7904 -9.7904 0.0288 0.0288 0.5156 0.5156 0.5804 0.5804 0.6791 0.6791 0.7903 0.7903 0.8946 0.8946 1.1185 1.1185 1.4482 1.4482 1.5542 1.5542 1.6118 1.6118 1.7141 1.7141 1.8582 1.8582 1.9131 1.9131 2.3293 2.3293 2.8663 2.8663 2.9966 2.9966 3.1860 3.1860 3.5248 3.5248 5.7351 5.7351 5.7744 5.7744 5.8776 5.8776 5.9458 5.9458 6.0634 6.0634 6.1731 6.1731 7.2112 7.2112 7.2932 7.2932 k = 0.0000 0.0000 0.4766 ( 9542 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4203 -29.4203 -29.4053 -29.4053 -28.8080 -28.8080 -28.7848 -28.7848 -28.6948 -28.6948 -28.6918 -28.6918 -10.5188 -10.5188 -10.1838 -10.1838 -9.8746 -9.8746 -9.8673 -9.8673 -9.7933 -9.7933 -9.7909 -9.7909 0.0270 0.0270 0.5385 0.5385 0.5892 0.5892 0.6736 0.6736 0.8083 0.8083 0.8784 0.8784 1.1217 1.1217 1.4511 1.4511 1.5586 1.5586 1.6184 1.6184 1.6928 1.6928 1.8511 1.8511 1.8999 1.8999 2.3273 2.3273 2.8623 2.8623 2.9937 2.9937 3.1825 3.1825 3.5226 3.5226 5.7358 5.7358 5.7752 5.7752 5.8775 5.8775 5.9472 5.9472 6.0637 6.0637 6.1736 6.1736 7.2117 7.2117 7.3000 7.3000 k = 0.0000 0.0000 0.4964 ( 9535 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4203 -29.4203 -29.4053 -29.4053 -28.8080 -28.8080 -28.7848 -28.7848 -28.6948 -28.6948 -28.6918 -28.6918 -10.5159 -10.5159 -10.1870 -10.1870 -9.8746 -9.8746 -9.8673 -9.8673 -9.7928 -9.7928 -9.7914 -9.7914 0.0260 0.0260 0.5534 0.5534 0.5942 0.5942 0.6699 0.6699 0.8264 0.8264 0.8616 0.8616 1.1239 1.1239 1.4530 1.4530 1.5618 1.5618 1.6260 1.6260 1.6737 1.6737 1.8459 1.8459 1.8940 1.8940 2.3263 2.3263 2.8598 2.8598 2.9919 2.9919 3.1804 3.1804 3.5213 3.5213 5.7363 5.7363 5.7757 5.7757 5.8774 5.8774 5.9480 5.9480 6.0638 6.0638 6.1739 6.1739 7.2121 7.2121 7.3075 7.3075 k = 0.0000 0.0000 0.5163 ( 9534 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4203 -29.4203 -29.4053 -29.4053 -28.8080 -28.8080 -28.7848 -28.7848 -28.6948 -28.6948 -28.6918 -28.6918 -10.5149 -10.5149 -10.1881 -10.1881 -9.8746 -9.8746 -9.8673 -9.8673 -9.7925 -9.7925 -9.7917 -9.7917 0.0256 0.0256 0.5588 0.5588 0.5957 0.5957 0.6686 0.6686 0.8438 0.8438 0.8445 0.8445 1.1248 1.1248 1.4537 1.4537 1.5631 1.5631 1.6306 1.6306 1.6646 1.6646 1.8440 1.8440 1.8923 1.8923 2.3260 2.3260 2.8590 2.8590 2.9913 2.9913 3.1797 3.1797 3.5209 3.5209 5.7364 5.7364 5.7759 5.7759 5.8774 5.8774 5.9483 5.9483 6.0639 6.0639 6.1740 6.1740 7.2122 7.2122 7.3137 7.3137 k = 0.5000-0.2873 0.3455 ( 9530 PWs) bands (ev): -52.7189 -52.7189 -52.7177 -52.7177 -29.4156 -29.4156 -29.4102 -29.4102 -28.8012 -28.8012 -28.7918 -28.7918 -28.6940 -28.6940 -28.6923 -28.6923 -10.3029 -10.3029 -10.0971 -10.0971 -9.9931 -9.9931 -9.9330 -9.9330 -9.9086 -9.9086 -9.8371 -9.8371 -0.1421 -0.1421 0.2527 0.2527 0.5894 0.5894 0.7335 0.7335 0.7525 0.7525 1.0793 1.0793 1.3699 1.3699 1.6171 1.6171 1.6615 1.6615 1.7617 1.7617 1.8756 1.8756 1.9531 1.9531 2.3104 2.3104 2.4099 2.4099 2.5282 2.5282 2.8992 2.8992 2.9533 2.9533 3.2546 3.2546 5.5565 5.5565 5.5736 5.5736 5.8736 5.8736 5.9371 5.9371 6.1787 6.1787 6.2720 6.2720 7.1013 7.1013 7.2607 7.2607 k = 0.4848-0.2786 0.3350 ( 9530 PWs) bands (ev): -52.7189 -52.7189 -52.7177 -52.7177 -29.4156 -29.4156 -29.4101 -29.4101 -28.8012 -28.8012 -28.7918 -28.7918 -28.6940 -28.6940 -28.6923 -28.6923 -10.3051 -10.3051 -10.0951 -10.0951 -9.9931 -9.9931 -9.9328 -9.9328 -9.9084 -9.9084 -9.8370 -9.8370 -0.1419 -0.1419 0.2516 0.2516 0.5863 0.5863 0.7313 0.7313 0.7535 0.7535 1.0814 1.0814 1.3719 1.3719 1.6139 1.6139 1.6651 1.6651 1.7606 1.7606 1.8756 1.8756 1.9533 1.9533 2.3110 2.3110 2.4110 2.4110 2.5267 2.5267 2.8976 2.8976 2.9565 2.9565 3.2547 3.2547 5.5568 5.5568 5.5747 5.5747 5.8735 5.8735 5.9372 5.9372 6.1784 6.1784 6.2713 6.2713 7.1023 7.1023 7.2605 7.2605 k = 0.4697-0.2699 0.3245 ( 9522 PWs) bands (ev): -52.7189 -52.7189 -52.7176 -52.7176 -29.4157 -29.4157 -29.4101 -29.4101 -28.8013 -28.8013 -28.7917 -28.7917 -28.6940 -28.6940 -28.6923 -28.6923 -10.3114 -10.3114 -10.0896 -10.0896 -9.9933 -9.9933 -9.9322 -9.9322 -9.9078 -9.9078 -9.8367 -9.8367 -0.1412 -0.1412 0.2484 0.2484 0.5773 0.5773 0.7260 0.7260 0.7549 0.7549 1.0876 1.0876 1.3778 1.3778 1.6066 1.6066 1.6735 1.6735 1.7572 1.7572 1.8758 1.8758 1.9541 1.9541 2.3127 2.3127 2.4143 2.4143 2.5222 2.5222 2.8936 2.8936 2.9649 2.9649 3.2550 3.2550 5.5578 5.5578 5.5780 5.5780 5.8732 5.8732 5.9378 5.9378 6.1778 6.1778 6.2693 6.2693 7.1053 7.1053 7.2601 7.2601 k = 0.4545-0.2612 0.3140 ( 9524 PWs) bands (ev): -52.7189 -52.7189 -52.7176 -52.7176 -29.4158 -29.4158 -29.4100 -29.4100 -28.8014 -28.8014 -28.7915 -28.7915 -28.6941 -28.6941 -28.6923 -28.6923 -10.3213 -10.3213 -10.0812 -10.0812 -9.9935 -9.9935 -9.9311 -9.9311 -9.9069 -9.9069 -9.8361 -9.8361 -0.1400 -0.1400 0.2430 0.2430 0.5640 0.5640 0.7189 0.7189 0.7547 0.7547 1.0976 1.0976 1.3867 1.3867 1.5985 1.5985 1.6831 1.6831 1.7518 1.7518 1.8771 1.8771 1.9555 1.9555 2.3147 2.3147 2.4198 2.4198 2.5150 2.5150 2.8893 2.8893 2.9765 2.9765 3.2557 3.2557 5.5594 5.5594 5.5834 5.5834 5.8728 5.8728 5.9387 5.9387 6.1767 6.1767 6.2660 6.2660 7.1104 7.1104 7.2594 7.2594 k = 0.4394-0.2525 0.3036 ( 9524 PWs) bands (ev): -52.7189 -52.7189 -52.7176 -52.7176 -29.4159 -29.4159 -29.4098 -29.4098 -28.8016 -28.8016 -28.7914 -28.7914 -28.6941 -28.6941 -28.6923 -28.6923 -10.3338 -10.3338 -10.0707 -10.0707 -9.9938 -9.9938 -9.9296 -9.9296 -9.9055 -9.9055 -9.8353 -9.8353 -0.1384 -0.1384 0.2354 0.2354 0.5479 0.5479 0.7100 0.7100 0.7523 0.7523 1.1107 1.1107 1.3976 1.3976 1.5910 1.5910 1.6909 1.6909 1.7455 1.7455 1.8805 1.8805 1.9576 1.9576 2.3162 2.3162 2.4275 2.4275 2.5060 2.5060 2.8861 2.8861 2.9900 2.9900 3.2567 3.2567 5.5616 5.5616 5.5906 5.5906 5.8721 5.8721 5.9401 5.9401 6.1752 6.1752 6.2614 6.2614 7.1173 7.1173 7.2583 7.2583 k = 0.4242-0.2438 0.2931 ( 9518 PWs) bands (ev): -52.7190 -52.7190 -52.7176 -52.7176 -29.4161 -29.4161 -29.4097 -29.4097 -28.8018 -28.8018 -28.7911 -28.7911 -28.6941 -28.6941 -28.6923 -28.6923 -10.3483 -10.3483 -10.0587 -10.0587 -9.9941 -9.9941 -9.9277 -9.9277 -9.9038 -9.9038 -9.8343 -9.8343 -0.1363 -0.1363 0.2257 0.2257 0.5306 0.5306 0.6990 0.6990 0.7482 0.7482 1.1263 1.1263 1.4086 1.4086 1.5851 1.5851 1.6926 1.6926 1.7419 1.7419 1.8865 1.8865 1.9609 1.9609 2.3164 2.3164 2.4357 2.4357 2.4972 2.4972 2.8845 2.8845 3.0046 3.0046 3.2584 3.2584 5.5645 5.5645 5.5995 5.5995 5.8713 5.8713 5.9418 5.9418 6.1732 6.1732 6.2555 6.2555 7.1260 7.1260 7.2568 7.2568 k = 0.4091-0.2350 0.2826 ( 9528 PWs) bands (ev): -52.7190 -52.7190 -52.7176 -52.7176 -29.4162 -29.4162 -29.4095 -29.4095 -28.8020 -28.8020 -28.7909 -28.7909 -28.6941 -28.6941 -28.6923 -28.6923 -10.3643 -10.3643 -10.0460 -10.0460 -9.9945 -9.9945 -9.9255 -9.9255 -9.9017 -9.9017 -9.8332 -9.8332 -0.1338 -0.1338 0.2140 0.2140 0.5132 0.5132 0.6854 0.6854 0.7432 0.7432 1.1431 1.1431 1.4181 1.4181 1.5813 1.5813 1.6850 1.6850 1.7444 1.7444 1.8955 1.8955 1.9660 1.9660 2.3149 2.3149 2.4395 2.4395 2.4938 2.4938 2.8851 2.8851 3.0197 3.0197 3.2609 3.2609 5.5680 5.5680 5.6098 5.6098 5.8703 5.8703 5.9440 5.9440 6.1709 6.1709 6.2484 6.2484 7.1364 7.1364 7.2547 7.2547 k = 0.3939-0.2263 0.2722 ( 9528 PWs) bands (ev): -52.7190 -52.7190 -52.7175 -52.7175 -29.4164 -29.4164 -29.4093 -29.4093 -28.8023 -28.8023 -28.7906 -28.7906 -28.6941 -28.6941 -28.6923 -28.6923 -10.3812 -10.3812 -10.0331 -10.0331 -9.9946 -9.9946 -9.9229 -9.9229 -9.8991 -9.8991 -9.8318 -9.8318 -0.1308 -0.1308 0.2003 0.2003 0.4967 0.4967 0.6695 0.6695 0.7377 0.7377 1.1604 1.1604 1.4243 1.4243 1.5794 1.5794 1.6698 1.6698 1.7517 1.7517 1.9065 1.9065 1.9744 1.9744 2.3114 2.3114 2.4332 2.4332 2.5017 2.5017 2.8881 2.8881 3.0349 3.0349 3.2646 3.2646 5.5719 5.5719 5.6212 5.6212 5.8690 5.8690 5.9466 5.9466 6.1681 6.1681 6.2401 6.2401 7.1481 7.1481 7.2520 7.2520 k = 0.3788-0.2176 0.2617 ( 9527 PWs) bands (ev): -52.7191 -52.7191 -52.7175 -52.7175 -29.4166 -29.4166 -29.4091 -29.4091 -28.8026 -28.8026 -28.7903 -28.7903 -28.6942 -28.6942 -28.6922 -28.6922 -10.3986 -10.3986 -10.0205 -10.0205 -9.9945 -9.9945 -9.9200 -9.9200 -9.8962 -9.8962 -9.8302 -9.8302 -0.1274 -0.1274 0.1848 0.1848 0.4817 0.4817 0.6518 0.6518 0.7323 0.7323 1.1771 1.1771 1.4263 1.4263 1.5787 1.5787 1.6508 1.6508 1.7611 1.7611 1.9173 1.9173 1.9881 1.9881 2.3060 2.3060 2.4195 2.4195 2.5186 2.5186 2.8934 2.8934 3.0499 3.0499 3.2697 3.2697 5.5763 5.5763 5.6335 5.6335 5.8675 5.8675 5.9497 5.9497 6.1650 6.1650 6.2307 6.2307 7.1608 7.1608 7.2486 7.2486 k = 0.3636-0.2089 0.2512 ( 9524 PWs) bands (ev): -52.7191 -52.7191 -52.7175 -52.7175 -29.4168 -29.4168 -29.4089 -29.4089 -28.8029 -28.8029 -28.7900 -28.7900 -28.6942 -28.6942 -28.6922 -28.6922 -10.4165 -10.4165 -10.0094 -10.0094 -9.9932 -9.9932 -9.9167 -9.9167 -9.8928 -9.8928 -9.8285 -9.8285 -0.1235 -0.1235 0.1676 0.1676 0.4685 0.4685 0.6331 0.6331 0.7269 0.7269 1.1925 1.1925 1.4239 1.4239 1.5776 1.5776 1.6307 1.6307 1.7712 1.7712 1.9255 1.9255 2.0092 2.0092 2.2985 2.2985 2.4034 2.4034 2.5401 2.5401 2.9010 2.9010 3.0645 3.0645 3.2765 3.2765 5.5811 5.5811 5.6464 5.6464 5.8657 5.8657 5.9532 5.9532 6.1615 6.1615 6.2202 6.2202 7.1739 7.1739 7.2446 7.2446 k = 0.3485-0.2002 0.2408 ( 9529 PWs) bands (ev): -52.7191 -52.7191 -52.7174 -52.7174 -29.4171 -29.4171 -29.4087 -29.4087 -28.8032 -28.8032 -28.7897 -28.7897 -28.6942 -28.6942 -28.6922 -28.6922 -10.4345 -10.4345 -10.0025 -10.0025 -9.9881 -9.9881 -9.9133 -9.9133 -9.8890 -9.8890 -9.8266 -9.8266 -0.1191 -0.1191 0.1490 0.1490 0.4572 0.4572 0.6142 0.6142 0.7215 0.7215 1.2057 1.2057 1.4175 1.4175 1.5730 1.5730 1.6132 1.6132 1.7813 1.7813 1.9302 1.9302 2.0371 2.0371 2.2893 2.2893 2.3879 2.3879 2.5641 2.5641 2.9107 2.9107 3.0785 3.0785 3.2853 3.2853 5.5862 5.5862 5.6596 5.6596 5.8637 5.8637 5.9571 5.9571 6.1577 6.1577 6.2087 6.2087 7.1860 7.1860 7.2413 7.2413 k = 0.3333-0.1915 0.2303 ( 9526 PWs) bands (ev): -52.7192 -52.7192 -52.7174 -52.7174 -29.4173 -29.4173 -29.4084 -29.4084 -28.8035 -28.8035 -28.7894 -28.7894 -28.6943 -28.6943 -28.6921 -28.6921 -10.4524 -10.4524 -10.0005 -10.0005 -9.9788 -9.9788 -9.9096 -9.9096 -9.8847 -9.8847 -9.8246 -9.8246 -0.1143 -0.1143 0.1291 0.1291 0.4479 0.4479 0.5959 0.5959 0.7162 0.7162 1.2156 1.2156 1.4079 1.4079 1.5609 1.5609 1.6028 1.6028 1.7905 1.7905 1.9316 1.9316 2.0686 2.0686 2.2794 2.2794 2.3749 2.3749 2.5896 2.5896 2.9222 2.9222 3.0922 3.0922 3.2961 3.2961 5.5915 5.5915 5.6727 5.6727 5.8614 5.8614 5.9614 5.9614 6.1535 6.1535 6.1965 6.1965 7.1948 7.1948 7.2408 7.2408 k = 0.3182-0.1828 0.2198 ( 9529 PWs) bands (ev): -52.7192 -52.7192 -52.7173 -52.7173 -29.4175 -29.4175 -29.4082 -29.4082 -28.8039 -28.8039 -28.7891 -28.7891 -28.6943 -28.6943 -28.6921 -28.6921 -10.4702 -10.4702 -10.0000 -10.0000 -9.9687 -9.9687 -9.9058 -9.9058 -9.8799 -9.8799 -9.8225 -9.8225 -0.1088 -0.1088 0.1081 0.1081 0.4406 0.4406 0.5790 0.5790 0.7109 0.7109 1.2210 1.2210 1.3964 1.3964 1.5430 1.5430 1.5990 1.5990 1.7985 1.7985 1.9302 1.9302 2.0980 2.0980 2.2722 2.2722 2.3661 2.3661 2.6163 2.6163 2.9353 2.9353 3.1057 3.1057 3.3090 3.3090 5.5970 5.5970 5.6857 5.6857 5.8589 5.8589 5.9660 5.9660 6.1489 6.1489 6.1835 6.1835 7.1972 7.1972 7.2461 7.2461 k = 0.3030-0.1741 0.2094 ( 9527 PWs) bands (ev): -52.7192 -52.7192 -52.7173 -52.7173 -29.4177 -29.4177 -29.4080 -29.4080 -28.8042 -28.8042 -28.7887 -28.7887 -28.6943 -28.6943 -28.6921 -28.6921 -10.4877 -10.4877 -10.0000 -10.0000 -9.9589 -9.9589 -9.9019 -9.9019 -9.8746 -9.8746 -9.8203 -9.8203 -0.1028 -0.1028 0.0862 0.0862 0.4352 0.4352 0.5640 0.5640 0.7057 0.7057 1.2201 1.2201 1.3840 1.3840 1.5241 1.5241 1.5982 1.5982 1.8049 1.8049 1.9263 1.9263 2.1168 2.1168 2.2728 2.2728 2.3638 2.3638 2.6438 2.6438 2.9496 2.9496 3.1194 3.1194 3.3237 3.3237 5.6028 5.6028 5.6980 5.6980 5.8562 5.8562 5.9707 5.9707 6.1436 6.1436 6.1703 6.1703 7.1944 7.1944 7.2558 7.2558 k = 0.2879-0.1654 0.1989 ( 9524 PWs) bands (ev): -52.7193 -52.7193 -52.7173 -52.7173 -29.4180 -29.4180 -29.4078 -29.4078 -28.8045 -28.8045 -28.7884 -28.7884 -28.6943 -28.6943 -28.6921 -28.6921 -10.5048 -10.5048 -10.0002 -10.0002 -9.9498 -9.9498 -9.8980 -9.8980 -9.8689 -9.8689 -9.8180 -9.8180 -0.0961 -0.0961 0.0636 0.0636 0.4315 0.4315 0.5513 0.5513 0.7005 0.7005 1.2116 1.2116 1.3717 1.3717 1.5069 1.5069 1.5989 1.5989 1.8093 1.8093 1.9202 1.9202 2.1187 2.1187 2.2812 2.2812 2.3732 2.3732 2.6719 2.6719 2.9648 2.9648 3.1339 3.1339 3.3402 3.3402 5.6087 5.6087 5.7097 5.7097 5.8533 5.8533 5.9755 5.9755 6.1372 6.1372 6.1574 6.1574 7.1896 7.1896 7.2661 7.2661 k = 0.2727-0.1567 0.1884 ( 9529 PWs) bands (ev): -52.7193 -52.7193 -52.7172 -52.7172 -29.4182 -29.4182 -29.4075 -29.4075 -28.8048 -28.8048 -28.7881 -28.7881 -28.6944 -28.6944 -28.6920 -28.6920 -10.5215 -10.5215 -10.0004 -10.0004 -9.9414 -9.9414 -9.8941 -9.8941 -9.8628 -9.8628 -9.8157 -9.8157 -0.0887 -0.0887 0.0405 0.0405 0.4295 0.4295 0.5414 0.5414 0.6953 0.6953 1.1950 1.1950 1.3596 1.3596 1.4933 1.4933 1.6006 1.6006 1.8115 1.8115 1.9121 1.9121 2.1069 2.1069 2.2871 2.2871 2.4005 2.4005 2.7007 2.7007 2.9804 2.9804 3.1496 3.1496 3.3579 3.3579 5.6148 5.6148 5.7203 5.7203 5.8503 5.8503 5.9802 5.9802 6.1282 6.1282 6.1466 6.1466 7.1847 7.1847 7.2746 7.2746 k = 0.2576-0.1480 0.1780 ( 9534 PWs) bands (ev): -52.7194 -52.7194 -52.7172 -52.7172 -29.4184 -29.4184 -29.4074 -29.4074 -28.8051 -28.8051 -28.7878 -28.7878 -28.6944 -28.6944 -28.6920 -28.6920 -10.5376 -10.5376 -10.0006 -10.0006 -9.9336 -9.9336 -9.8904 -9.8904 -9.8564 -9.8564 -9.8133 -9.8133 -0.0806 -0.0806 0.0171 0.0171 0.4290 0.4290 0.5345 0.5345 0.6902 0.6902 1.1709 1.1709 1.3466 1.3466 1.4842 1.4842 1.6031 1.6031 1.8111 1.8111 1.9024 1.9024 2.0878 2.0878 2.2857 2.2857 2.4431 2.4431 2.7300 2.7300 2.9961 2.9961 3.1669 3.1669 3.3768 3.3768 5.6211 5.6211 5.7298 5.7298 5.8473 5.8473 5.9846 5.9846 6.1158 6.1158 6.1388 6.1388 7.1808 7.1808 7.2811 7.2811 k = 0.2424-0.1393 0.1675 ( 9529 PWs) bands (ev): -52.7194 -52.7194 -52.7172 -52.7172 -29.4186 -29.4186 -29.4071 -29.4071 -28.8054 -28.8054 -28.7875 -28.7875 -28.6945 -28.6945 -28.6920 -28.6920 -10.5531 -10.5531 -10.0007 -10.0007 -9.9265 -9.9265 -9.8868 -9.8868 -9.8499 -9.8499 -9.8109 -9.8109 -0.0717 -0.0717 -0.0063 -0.0063 0.4300 0.4300 0.5305 0.5305 0.6853 0.6853 1.1411 1.1411 1.3316 1.3316 1.4797 1.4797 1.6065 1.6065 1.8077 1.8077 1.8920 1.8920 2.0660 2.0660 2.2789 2.2789 2.4936 2.4936 2.7599 2.7599 3.0116 3.0116 3.1864 3.1864 3.3963 3.3963 5.6277 5.6277 5.7379 5.7379 5.8444 5.8444 5.9886 5.9886 6.1013 6.1013 6.1330 6.1330 7.1785 7.1785 7.2862 7.2862 k = 0.2273-0.1306 0.1570 ( 9524 PWs) bands (ev): -52.7194 -52.7194 -52.7171 -52.7171 -29.4188 -29.4188 -29.4069 -29.4069 -28.8057 -28.8057 -28.7872 -28.7872 -28.6945 -28.6945 -28.6920 -28.6920 -10.5680 -10.5680 -10.0009 -10.0009 -9.9199 -9.9199 -9.8833 -9.8833 -9.8435 -9.8435 -9.8085 -9.8085 -0.0626 -0.0626 -0.0288 -0.0288 0.4323 0.4323 0.5295 0.5295 0.6805 0.6805 1.1070 1.1070 1.3143 1.3143 1.4793 1.4793 1.6105 1.6105 1.8008 1.8008 1.8816 1.8816 2.0438 2.0438 2.2688 2.2688 2.5471 2.5471 2.7901 2.7901 3.0266 3.0266 3.2084 3.2084 3.4163 3.4163 5.6344 5.6344 5.7445 5.7445 5.8418 5.8418 5.9919 5.9919 6.0859 6.0859 6.1282 6.1282 7.1781 7.1781 7.2906 7.2906 k = 0.2121-0.1219 0.1466 ( 9525 PWs) bands (ev): -52.7195 -52.7195 -52.7171 -52.7171 -29.4189 -29.4189 -29.4067 -29.4067 -28.8060 -28.8060 -28.7869 -28.7869 -28.6945 -28.6945 -28.6920 -28.6920 -10.5821 -10.5821 -10.0010 -10.0010 -9.9138 -9.9138 -9.8800 -9.8800 -9.8373 -9.8373 -9.8061 -9.8061 -0.0606 -0.0606 -0.0429 -0.0429 0.4358 0.4358 0.5311 0.5311 0.6759 0.6759 1.0702 1.0702 1.2946 1.2946 1.4818 1.4818 1.6151 1.6151 1.7899 1.7899 1.8720 1.8720 2.0224 2.0224 2.2561 2.2561 2.6009 2.6009 2.8205 2.8205 3.0410 3.0410 3.2329 3.2329 3.4364 3.4364 5.6413 5.6413 5.7496 5.7496 5.8394 5.8394 5.9941 5.9941 6.0704 6.0704 6.1241 6.1241 7.1797 7.1797 7.2948 7.2948 k = 0.1970-0.1132 0.1361 ( 9523 PWs) bands (ev): -52.7195 -52.7195 -52.7171 -52.7171 -29.4191 -29.4191 -29.4065 -29.4065 -28.8062 -28.8062 -28.7866 -28.7866 -28.6946 -28.6946 -28.6919 -28.6919 -10.5955 -10.5955 -10.0011 -10.0011 -9.9080 -9.9080 -9.8768 -9.8768 -9.8314 -9.8314 -9.8037 -9.8037 -0.0791 -0.0791 -0.0350 -0.0350 0.4405 0.4405 0.5353 0.5353 0.6714 0.6714 1.0318 1.0318 1.2732 1.2732 1.4861 1.4861 1.6202 1.6202 1.7755 1.7755 1.8636 1.8636 2.0025 2.0025 2.2415 2.2415 2.6533 2.6533 2.8506 2.8506 3.0545 3.0545 3.2602 3.2602 3.4565 3.4565 5.6484 5.6484 5.7531 5.7531 5.8375 5.8375 5.9948 5.9948 6.0555 6.0555 6.1206 6.1206 7.1834 7.1834 7.2990 7.2990 k = 0.1818-0.1045 0.1256 ( 9520 PWs) bands (ev): -52.7195 -52.7195 -52.7170 -52.7170 -29.4193 -29.4193 -29.4064 -29.4064 -28.8065 -28.8065 -28.7863 -28.7863 -28.6946 -28.6946 -28.6919 -28.6919 -10.6080 -10.6080 -10.0012 -10.0012 -9.9026 -9.9026 -9.8739 -9.8739 -9.8259 -9.8259 -9.8014 -9.8014 -0.1005 -0.1005 -0.0222 -0.0222 0.4462 0.4462 0.5414 0.5414 0.6673 0.6673 0.9928 0.9928 1.2505 1.2505 1.4912 1.4912 1.6256 1.6256 1.7586 1.7586 1.8560 1.8560 1.9844 1.9844 2.2254 2.2254 2.7033 2.7033 2.8800 2.8800 3.0671 3.0671 3.2900 3.2900 3.4762 3.4762 5.6557 5.6557 5.7552 5.7552 5.8359 5.8359 5.9932 5.9932 6.0420 6.0420 6.1176 6.1176 7.1891 7.1891 7.3033 7.3033 k = 0.1667-0.0958 0.1152 ( 9516 PWs) bands (ev): -52.7195 -52.7195 -52.7170 -52.7170 -29.4194 -29.4194 -29.4062 -29.4062 -28.8067 -28.8067 -28.7861 -28.7861 -28.6946 -28.6946 -28.6919 -28.6919 -10.6197 -10.6197 -10.0012 -10.0012 -9.8974 -9.8974 -9.8712 -9.8712 -9.8210 -9.8210 -9.7990 -9.7990 -0.1214 -0.1214 -0.0079 -0.0079 0.4527 0.4527 0.5491 0.5491 0.6634 0.6634 0.9542 0.9542 1.2267 1.2267 1.4964 1.4964 1.6311 1.6311 1.7404 1.7404 1.8490 1.8490 1.9681 1.9681 2.2083 2.2083 2.7502 2.7502 2.9080 2.9080 3.0788 3.0788 3.3221 3.3221 3.4955 3.4955 5.6631 5.6631 5.7560 5.7560 5.8347 5.8347 5.9883 5.9883 6.0313 6.0313 6.1152 6.1152 7.1967 7.1967 7.3077 7.3077 k = 0.1515-0.0871 0.1047 ( 9514 PWs) bands (ev): -52.7196 -52.7196 -52.7170 -52.7170 -29.4196 -29.4196 -29.4060 -29.4060 -28.8069 -28.8069 -28.7859 -28.7859 -28.6946 -28.6946 -28.6919 -28.6919 -10.6305 -10.6305 -10.0012 -10.0012 -9.8926 -9.8926 -9.8686 -9.8686 -9.8166 -9.8166 -9.7968 -9.7968 -0.1412 -0.1412 0.0076 0.0076 0.4599 0.4599 0.5577 0.5577 0.6598 0.6598 0.9168 0.9168 1.2022 1.2022 1.5012 1.5012 1.6364 1.6364 1.7224 1.7224 1.8421 1.8421 1.9534 1.9534 2.1908 2.1908 2.7936 2.7936 2.9340 2.9340 3.0895 3.0895 3.3561 3.3561 3.5140 3.5140 5.6705 5.6705 5.7559 5.7559 5.8336 5.8336 5.9794 5.9794 6.0241 6.0241 6.1134 6.1134 7.2061 7.2061 7.3122 7.3122 k = 0.1364-0.0783 0.0942 ( 9518 PWs) bands (ev): -52.7196 -52.7196 -52.7170 -52.7170 -29.4197 -29.4197 -29.4059 -29.4059 -28.8071 -28.8071 -28.7857 -28.7857 -28.6947 -28.6947 -28.6919 -28.6919 -10.6404 -10.6404 -10.0013 -10.0013 -9.8881 -9.8881 -9.8663 -9.8663 -9.8128 -9.8128 -9.7945 -9.7945 -0.1598 -0.1598 0.0241 0.0241 0.4675 0.4675 0.5661 0.5661 0.6568 0.6568 0.8817 0.8817 1.1772 1.1772 1.5051 1.5051 1.6410 1.6410 1.7061 1.7061 1.8351 1.8351 1.9403 1.9403 2.1734 2.1734 2.8335 2.8335 2.9575 2.9575 3.0991 3.0991 3.3910 3.3910 3.5316 3.5316 5.6778 5.6778 5.7551 5.7551 5.8326 5.8326 5.9676 5.9676 6.0196 6.0196 6.1120 6.1120 7.2169 7.2169 7.3169 7.3169 k = 0.1212-0.0696 0.0837 ( 9515 PWs) bands (ev): -52.7196 -52.7196 -52.7169 -52.7169 -29.4198 -29.4198 -29.4058 -29.4058 -28.8073 -28.8073 -28.7855 -28.7855 -28.6947 -28.6947 -28.6918 -28.6918 -10.6493 -10.6493 -10.0013 -10.0013 -9.8839 -9.8839 -9.8643 -9.8643 -9.8095 -9.8095 -9.7923 -9.7923 -0.1769 -0.1769 0.0415 0.0415 0.4752 0.4752 0.5733 0.5733 0.6546 0.6546 0.8500 0.8500 1.1520 1.1520 1.5079 1.5079 1.6442 1.6442 1.6929 1.6929 1.8280 1.8280 1.9285 1.9285 2.1567 2.1567 2.8698 2.8698 2.9781 2.9781 3.1077 3.1077 3.4260 3.4260 3.5483 3.5483 5.6849 5.6849 5.7541 5.7541 5.8316 5.8316 5.9545 5.9545 6.0166 6.0166 6.1111 6.1111 7.2288 7.2288 7.3218 7.3218 k = 0.1061-0.0609 0.0733 ( 9508 PWs) bands (ev): -52.7196 -52.7196 -52.7169 -52.7169 -29.4199 -29.4199 -29.4057 -29.4057 -28.8075 -28.8075 -28.7853 -28.7853 -28.6947 -28.6947 -28.6918 -28.6918 -10.6572 -10.6572 -10.0013 -10.0013 -9.8800 -9.8800 -9.8625 -9.8625 -9.8069 -9.8069 -9.7902 -9.7902 -0.1923 -0.1923 0.0594 0.0594 0.4826 0.4826 0.5780 0.5780 0.6533 0.6533 0.8234 0.8234 1.1268 1.1268 1.5092 1.5092 1.6448 1.6448 1.6845 1.6845 1.8208 1.8208 1.9178 1.9178 2.1411 2.1411 2.9026 2.9026 2.9957 2.9957 3.1152 3.1152 3.4598 3.4598 3.5639 3.5639 5.6915 5.6915 5.7533 5.7533 5.8305 5.8305 5.9410 5.9410 6.0143 6.0143 6.1106 6.1106 7.2415 7.2415 7.3270 7.3270 k = 0.0909-0.0522 0.0628 ( 9502 PWs) bands (ev): -52.7196 -52.7196 -52.7169 -52.7169 -29.4200 -29.4200 -29.4056 -29.4056 -28.8076 -28.8076 -28.7851 -28.7851 -28.6947 -28.6947 -28.6918 -28.6918 -10.6641 -10.6641 -10.0012 -10.0012 -9.8765 -9.8765 -9.8609 -9.8609 -9.8047 -9.8047 -9.7883 -9.7883 -0.2059 -0.2059 0.0774 0.0774 0.4891 0.4891 0.5791 0.5791 0.6530 0.6530 0.8033 0.8033 1.1019 1.1019 1.5092 1.5092 1.6424 1.6424 1.6815 1.6815 1.8137 1.8137 1.9083 1.9083 2.1270 2.1270 2.9319 2.9319 3.0102 3.0102 3.1216 3.1216 3.4912 3.4912 3.5785 3.5785 5.6974 5.6974 5.7529 5.7529 5.8293 5.8293 5.9280 5.9280 6.0124 6.0124 6.1104 6.1104 7.2544 7.2544 7.3324 7.3324 k = 0.0758-0.0435 0.0523 ( 9495 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4201 -29.4201 -29.4055 -29.4055 -28.8077 -28.8077 -28.7850 -28.7850 -28.6947 -28.6947 -28.6918 -28.6918 -10.6700 -10.6700 -10.0012 -10.0012 -9.8734 -9.8734 -9.8597 -9.8597 -9.8031 -9.8031 -9.7866 -9.7866 -0.2177 -0.2177 0.0951 0.0951 0.4939 0.4939 0.5767 0.5767 0.6528 0.6528 0.7909 0.7909 1.0780 1.0780 1.5081 1.5081 1.6386 1.6386 1.6823 1.6823 1.8068 1.8068 1.8999 1.8999 2.1148 2.1148 2.9576 2.9576 3.0216 3.0216 3.1267 3.1267 3.5189 3.5189 3.5922 3.5922 5.7022 5.7022 5.7533 5.7533 5.8282 5.8282 5.9158 5.9158 6.0107 6.0107 6.1103 6.1103 7.2669 7.2669 7.3385 7.3385 k = 0.0606-0.0348 0.0419 ( 9494 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4201 -29.4201 -29.4054 -29.4054 -28.8078 -28.8078 -28.7849 -28.7849 -28.6947 -28.6947 -28.6918 -28.6918 -10.6749 -10.6749 -10.0012 -10.0012 -9.8707 -9.8707 -9.8587 -9.8587 -9.8018 -9.8018 -9.7851 -9.7851 -0.2274 -0.2274 0.1118 0.1118 0.4964 0.4964 0.5722 0.5722 0.6522 0.6522 0.7861 0.7861 1.0556 1.0556 1.5062 1.5062 1.6351 1.6351 1.6847 1.6847 1.8005 1.8005 1.8927 1.8927 2.1048 2.1048 2.9797 2.9797 3.0301 3.0301 3.1306 3.1306 3.5417 3.5417 3.6049 3.6049 5.7059 5.7059 5.7544 5.7544 5.8273 5.8273 5.9048 5.9048 6.0093 6.0093 6.1103 6.1103 7.2784 7.2784 7.3454 7.3454 k = 0.0455-0.0261 0.0314 ( 9492 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7848 -28.7848 -28.6947 -28.6947 -28.6918 -28.6918 -10.6786 -10.6786 -10.0012 -10.0012 -9.8686 -9.8686 -9.8579 -9.8579 -9.8009 -9.8009 -9.7840 -9.7840 -0.2350 -0.2350 0.1265 0.1265 0.4961 0.4961 0.5678 0.5678 0.6511 0.6511 0.7871 0.7871 1.0357 1.0357 1.5040 1.5040 1.6326 1.6326 1.6874 1.6874 1.7950 1.7950 1.8869 1.8869 2.0969 2.0969 2.9980 2.9980 3.0358 3.0358 3.1334 3.1334 3.5589 3.5589 3.6164 3.6164 5.7084 5.7084 5.7560 5.7560 5.8266 5.8266 5.8955 5.8955 6.0081 6.0081 6.1104 6.1104 7.2879 7.2879 7.3535 7.3535 k = 0.0303-0.0174 0.0209 ( 9489 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7848 -28.7848 -28.6947 -28.6947 -28.6918 -28.6918 -10.6813 -10.6813 -10.0012 -10.0012 -9.8670 -9.8670 -9.8575 -9.8575 -9.8002 -9.8002 -9.7831 -9.7831 -0.2405 -0.2405 0.1382 0.1382 0.4936 0.4936 0.5649 0.5649 0.6497 0.6497 0.7911 0.7911 1.0197 1.0197 1.5020 1.5020 1.6311 1.6311 1.6897 1.6897 1.7907 1.7907 1.8826 1.8826 2.0912 2.0912 3.0124 3.0124 3.0388 3.0388 3.1352 3.1352 3.5706 3.5706 3.6258 3.6258 5.7099 5.7099 5.7577 5.7577 5.8262 5.8262 5.8882 5.8882 6.0073 6.0073 6.1105 6.1105 7.2949 7.2949 7.3629 7.3629 k = 0.0152-0.0087 0.0105 ( 9485 PWs) bands (ev): -52.7197 -52.7197 -52.7168 -52.7168 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7847 -28.7847 -28.6947 -28.6947 -28.6918 -28.6918 -10.6830 -10.6830 -10.0012 -10.0012 -9.8660 -9.8660 -9.8572 -9.8572 -9.7999 -9.7999 -9.7826 -9.7826 -0.2438 -0.2438 0.1459 0.1459 0.4909 0.4909 0.5635 0.5635 0.6486 0.6486 0.7950 0.7950 1.0091 1.0091 1.5007 1.5007 1.6303 1.6303 1.6912 1.6912 1.7880 1.7880 1.8800 1.8800 2.0879 2.0879 3.0224 3.0224 3.0393 3.0393 3.1361 3.1361 3.5773 3.5773 3.6321 3.6321 5.7107 5.7107 5.7590 5.7590 5.8261 5.8261 5.8835 5.8835 6.0067 6.0067 6.1106 6.1106 7.2991 7.2991 7.3732 7.3732 k = 0.0000 0.0000 0.0000 ( 9487 PWs) bands (ev): -52.7197 -52.7197 -52.7168 -52.7168 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7847 -28.7847 -28.6947 -28.6947 -28.6918 -28.6918 -10.6835 -10.6835 -10.0012 -10.0012 -9.8656 -9.8656 -9.8571 -9.8571 -9.7997 -9.7997 -9.7824 -9.7824 -0.2449 -0.2449 0.1485 0.1485 0.4897 0.4897 0.5632 0.5632 0.6483 0.6483 0.7966 0.7966 1.0054 1.0054 1.5003 1.5003 1.6300 1.6300 1.6917 1.6917 1.7870 1.7870 1.8791 1.8791 2.0867 2.0867 3.0264 3.0264 3.0389 3.0389 3.1364 3.1364 3.5795 3.5795 3.6343 3.6343 5.7109 5.7109 5.7595 5.7595 5.8261 5.8261 5.8819 5.8819 6.0066 6.0066 6.1106 6.1106 7.3005 7.3005 7.3810 7.3810 k = 0.0000 0.0000 0.0000 ( 9487 PWs) bands (ev): -52.7197 -52.7197 -52.7168 -52.7168 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7847 -28.7847 -28.6947 -28.6947 -28.6918 -28.6918 -10.6835 -10.6835 -10.0012 -10.0012 -9.8656 -9.8656 -9.8571 -9.8571 -9.7997 -9.7997 -9.7824 -9.7824 -0.2449 -0.2449 0.1485 0.1485 0.4897 0.4897 0.5632 0.5632 0.6483 0.6483 0.7966 0.7966 1.0054 1.0054 1.5003 1.5003 1.6300 1.6300 1.6917 1.6917 1.7870 1.7870 1.8791 1.8791 2.0867 2.0867 3.0264 3.0264 3.0389 3.0389 3.1364 3.1364 3.5795 3.5795 3.6343 3.6343 5.7109 5.7109 5.7595 5.7595 5.8261 5.8261 5.8819 5.8819 6.0066 6.0066 6.1106 6.1106 7.3005 7.3005 7.3810 7.3810 k = 0.0000 0.0174 0.0104 ( 9483 PWs) bands (ev): -52.7197 -52.7197 -52.7168 -52.7168 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7847 -28.7847 -28.6947 -28.6947 -28.6918 -28.6918 -10.6830 -10.6830 -10.0012 -10.0012 -9.8660 -9.8660 -9.8572 -9.8572 -9.7999 -9.7999 -9.7825 -9.7825 -0.2438 -0.2438 0.1458 0.1458 0.4916 0.4916 0.5626 0.5626 0.6491 0.6491 0.7947 0.7947 1.0092 1.0092 1.5008 1.5008 1.6301 1.6301 1.6908 1.6908 1.7886 1.7886 1.8796 1.8796 2.0878 2.0878 3.0233 3.0233 3.0387 3.0387 3.1359 3.1359 3.5779 3.5779 3.6315 3.6315 5.7104 5.7104 5.7597 5.7597 5.8247 5.8247 5.8844 5.8844 6.0064 6.0064 6.1109 6.1109 7.2988 7.2988 7.3791 7.3791 k = 0.0000 0.0349 0.0209 ( 9486 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7848 -28.7848 -28.6947 -28.6947 -28.6918 -28.6918 -10.6813 -10.6813 -10.0014 -10.0014 -9.8671 -9.8671 -9.8573 -9.8573 -9.8004 -9.8004 -9.7827 -9.7827 -0.2404 -0.2404 0.1381 0.1381 0.4964 0.4964 0.5612 0.5612 0.6517 0.6517 0.7898 0.7898 1.0200 1.0200 1.5024 1.5024 1.6305 1.6305 1.6882 1.6882 1.7933 1.7933 1.8813 1.8813 2.0909 2.0909 3.0150 3.0150 3.0376 3.0376 3.1344 3.1344 3.5729 3.5729 3.6237 3.6237 5.7089 5.7089 5.7602 5.7602 5.8215 5.8215 5.8913 5.8913 6.0060 6.0060 6.1119 6.1119 7.2937 7.2937 7.3749 7.3749 k = 0.0000 0.0523 0.0313 ( 9490 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4202 -29.4202 -29.4054 -29.4054 -28.8078 -28.8078 -28.7849 -28.7849 -28.6947 -28.6947 -28.6918 -28.6918 -10.6786 -10.6786 -10.0017 -10.0017 -9.8689 -9.8689 -9.8578 -9.8578 -9.8011 -9.8011 -9.7831 -9.7831 -0.2348 -0.2348 0.1263 0.1263 0.5021 0.5021 0.5599 0.5599 0.6556 0.6556 0.7841 0.7841 1.0363 1.0363 1.5050 1.5050 1.6314 1.6314 1.6841 1.6841 1.8003 1.8003 1.8841 1.8841 2.0960 2.0960 3.0022 3.0022 3.0347 3.0347 3.1317 3.1317 3.5637 3.5637 3.6119 3.6119 5.7064 5.7064 5.7611 5.7611 5.8175 5.8175 5.9012 5.9012 6.0053 6.0053 6.1134 6.1134 7.2854 7.2854 7.3701 7.3701 k = 0.0000 0.0697 0.0417 ( 9501 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4201 -29.4201 -29.4054 -29.4054 -28.8078 -28.8078 -28.7850 -28.7850 -28.6947 -28.6947 -28.6918 -28.6918 -10.6747 -10.6747 -10.0021 -10.0021 -9.8711 -9.8711 -9.8586 -9.8586 -9.8022 -9.8022 -9.7837 -9.7837 -0.2270 -0.2270 0.1115 0.1115 0.5059 0.5059 0.5596 0.5596 0.6602 0.6602 0.7804 0.7804 1.0565 1.0565 1.5081 1.5081 1.6329 1.6329 1.6792 1.6792 1.8090 1.8090 1.8883 1.8883 2.1033 2.1033 2.9854 2.9854 3.0298 3.0298 3.1277 3.1277 3.5493 3.5493 3.5979 3.5979 5.7026 5.7026 5.7627 5.7627 5.8137 5.8137 5.9129 5.9129 6.0044 6.0044 6.1156 6.1156 7.2743 7.2743 7.3655 7.3655 k = 0.0000 0.0872 0.0522 ( 9500 PWs) bands (ev): -52.7196 -52.7196 -52.7169 -52.7169 -29.4201 -29.4201 -29.4055 -29.4055 -28.8076 -28.8076 -28.7851 -28.7851 -28.6947 -28.6947 -28.6918 -28.6918 -10.6698 -10.6698 -10.0025 -10.0025 -9.8739 -9.8739 -9.8597 -9.8597 -9.8035 -9.8035 -9.7845 -9.7845 -0.2171 -0.2171 0.0949 0.0949 0.5057 0.5057 0.5605 0.5605 0.6647 0.6647 0.7820 0.7820 1.0793 1.0793 1.5115 1.5115 1.6353 1.6353 1.6740 1.6740 1.8185 1.8185 1.8940 1.8940 2.1125 2.1125 2.9647 2.9647 3.0228 3.0228 3.1222 3.1222 3.5285 3.5285 3.5834 3.5834 5.6978 5.6978 5.7647 5.7647 5.8106 5.8106 5.9258 5.9258 6.0032 6.0032 6.1184 6.1184 7.2612 7.2612 7.3613 7.3613 k = 0.0000 0.1046 0.0626 ( 9506 PWs) bands (ev): -52.7196 -52.7196 -52.7169 -52.7169 -29.4200 -29.4200 -29.4056 -29.4056 -28.8075 -28.8075 -28.7852 -28.7852 -28.6947 -28.6947 -28.6918 -28.6918 -10.6639 -10.6639 -10.0031 -10.0031 -9.8770 -9.8770 -9.8613 -9.8613 -9.8051 -9.8051 -9.7854 -9.7854 -0.2052 -0.2052 0.0774 0.0774 0.5018 0.5018 0.5612 0.5612 0.6681 0.6681 0.7913 0.7913 1.1036 1.1036 1.5145 1.5145 1.6380 1.6380 1.6697 1.6697 1.8279 1.8279 1.9017 1.9017 2.1237 2.1237 2.9403 2.9403 3.0136 3.0136 3.1152 3.1152 3.5017 3.5017 3.5692 3.5692 5.6920 5.6920 5.7670 5.7670 5.8083 5.8083 5.9392 5.9392 6.0019 6.0019 6.1219 6.1219 7.2470 7.2470 7.3574 7.3574 k = 0.0000 0.1221 0.0730 ( 9504 PWs) bands (ev): -52.7196 -52.7196 -52.7169 -52.7169 -29.4199 -29.4199 -29.4057 -29.4057 -28.8073 -28.8073 -28.7854 -28.7854 -28.6947 -28.6947 -28.6918 -28.6918 -10.6568 -10.6568 -10.0038 -10.0038 -9.8806 -9.8806 -9.8634 -9.8634 -9.8068 -9.8068 -9.7866 -9.7866 -0.1914 -0.1914 0.0597 0.0597 0.4954 0.4954 0.5600 0.5600 0.6701 0.6701 0.8088 0.8088 1.1288 1.1288 1.5166 1.5166 1.6391 1.6391 1.6690 1.6690 1.8365 1.8365 1.9116 1.9116 2.1367 2.1367 2.9121 2.9121 3.0021 3.0021 3.1067 3.1067 3.4703 3.4703 3.5549 3.5549 5.6856 5.6856 5.7692 5.7692 5.8069 5.8069 5.9527 5.9527 6.0008 6.0008 6.1261 6.1261 7.2323 7.2323 7.3537 7.3537 k = 0.0000 0.1395 0.0835 ( 9507 PWs) bands (ev): -52.7196 -52.7196 -52.7170 -52.7170 -29.4198 -29.4198 -29.4058 -29.4058 -28.8072 -28.8072 -28.7856 -28.7856 -28.6947 -28.6947 -28.6919 -28.6919 -10.6488 -10.6488 -10.0046 -10.0046 -9.8846 -9.8846 -9.8658 -9.8658 -9.8088 -9.8088 -9.7879 -9.7879 -0.1760 -0.1760 0.0425 0.0425 0.4878 0.4878 0.5563 0.5563 0.6716 0.6716 0.8335 0.8335 1.1543 1.1543 1.5174 1.5174 1.6362 1.6362 1.6745 1.6745 1.8439 1.8439 1.9238 1.9238 2.1513 2.1513 2.8804 2.8804 2.9879 2.9879 3.0968 3.0968 3.4360 3.4360 3.5401 3.5401 5.6787 5.6787 5.7709 5.7709 5.8067 5.8067 5.9652 5.9652 6.0004 6.0004 6.1309 6.1309 7.2179 7.2179 7.3500 7.3500 k = 0.0000 0.1569 0.0939 ( 9508 PWs) bands (ev): -52.7196 -52.7196 -52.7170 -52.7170 -29.4196 -29.4196 -29.4059 -29.4059 -28.8070 -28.8070 -28.7858 -28.7858 -28.6947 -28.6947 -28.6919 -28.6919 -10.6397 -10.6397 -10.0054 -10.0054 -9.8890 -9.8890 -9.8687 -9.8687 -9.8111 -9.8111 -9.7893 -9.7893 -0.1591 -0.1591 0.0263 0.0263 0.4796 0.4796 0.5504 0.5504 0.6731 0.6731 0.8636 0.8636 1.1798 1.1798 1.5167 1.5167 1.6303 1.6303 1.6852 1.6852 1.8501 1.8501 1.9383 1.9383 2.1672 2.1672 2.8449 2.8449 2.9710 2.9710 3.0858 3.0858 3.4003 3.4003 3.5245 3.5245 5.6716 5.6716 5.7714 5.7714 5.8079 5.8079 5.9748 5.9748 6.0027 6.0027 6.1365 6.1365 7.2042 7.2042 7.3460 7.3460 k = 0.0000 0.1744 0.1044 ( 9516 PWs) bands (ev): -52.7195 -52.7195 -52.7170 -52.7170 -29.4195 -29.4195 -29.4061 -29.4061 -28.8067 -28.8067 -28.7860 -28.7860 -28.6946 -28.6946 -28.6919 -28.6919 -10.6296 -10.6296 -10.0063 -10.0063 -9.8939 -9.8939 -9.8719 -9.8719 -9.8136 -9.8136 -9.7908 -9.7908 -0.1414 -0.1414 0.0116 0.0116 0.4715 0.4715 0.5431 0.5431 0.6751 0.6751 0.8974 0.8974 1.2050 1.2050 1.5145 1.5145 1.6232 1.6232 1.6991 1.6991 1.8554 1.8554 1.9549 1.9549 2.1840 2.1840 2.8057 2.8057 2.9512 2.9512 3.0738 3.0738 3.3644 3.3644 3.5082 3.5082 5.6644 5.6644 5.7703 5.7703 5.8104 5.8104 5.9789 5.9789 6.0100 6.0100 6.1428 6.1428 7.1917 7.1917 7.3418 7.3418 k = 0.0000 0.1918 0.1148 ( 9515 PWs) bands (ev): -52.7195 -52.7195 -52.7170 -52.7170 -29.4194 -29.4194 -29.4063 -29.4063 -28.8065 -28.8065 -28.7863 -28.7863 -28.6946 -28.6946 -28.6919 -28.6919 -10.6186 -10.6186 -10.0073 -10.0073 -9.8993 -9.8993 -9.8753 -9.8753 -9.8163 -9.8163 -9.7924 -9.7924 -0.1235 -0.1235 -0.0007 -0.0007 0.4638 0.4638 0.5354 0.5354 0.6777 0.6777 0.9336 0.9336 1.2296 1.2296 1.5111 1.5111 1.6157 1.6157 1.7146 1.7146 1.8601 1.8601 1.9734 1.9734 2.2013 2.2013 2.7629 2.7629 2.9288 2.9288 3.0610 3.0610 3.3294 3.3294 3.4911 3.4911 5.6572 5.6572 5.7676 5.7676 5.8142 5.8142 5.9784 5.9784 6.0211 6.0211 6.1499 6.1499 7.1809 7.1809 7.3370 7.3370 k = 0.0000 0.2092 0.1252 ( 9519 PWs) bands (ev): -52.7195 -52.7195 -52.7171 -52.7171 -29.4192 -29.4192 -29.4065 -29.4065 -28.8062 -28.8062 -28.7866 -28.7866 -28.6946 -28.6946 -28.6920 -28.6920 -10.6066 -10.6066 -10.0084 -10.0084 -9.9053 -9.9053 -9.8790 -9.8790 -9.8194 -9.8194 -9.7941 -9.7941 -0.1070 -0.1070 -0.0091 -0.0091 0.4568 0.4568 0.5279 0.5279 0.6808 0.6808 0.9710 0.9710 1.2532 1.2532 1.5068 1.5068 1.6084 1.6084 1.7304 1.7304 1.8647 1.8647 1.9937 1.9937 2.2188 2.2188 2.7166 2.7166 2.9038 2.9038 3.0475 3.0475 3.2962 3.2962 3.4734 3.4734 5.6503 5.6503 5.7634 5.7634 5.8187 5.8187 5.9758 5.9758 6.0335 6.0335 6.1579 6.1579 7.1719 7.1719 7.3317 7.3317 k = 0.0000 0.2267 0.1357 ( 9522 PWs) bands (ev): -52.7194 -52.7194 -52.7171 -52.7171 -29.4190 -29.4190 -29.4066 -29.4066 -28.8059 -28.8059 -28.7869 -28.7869 -28.6945 -28.6945 -28.6920 -28.6920 -10.5938 -10.5938 -10.0095 -10.0095 -9.9119 -9.9119 -9.8827 -9.8827 -9.8227 -9.8227 -9.7956 -9.7956 -0.0947 -0.0947 -0.0110 -0.0110 0.4508 0.4508 0.5215 0.5215 0.6843 0.6843 1.0089 1.0089 1.2754 1.2754 1.5023 1.5023 1.6016 1.6016 1.7452 1.7452 1.8698 1.8698 2.0157 2.0157 2.2358 2.2358 2.6671 2.6671 2.8768 2.8768 3.0333 3.0333 3.2652 3.2652 3.4554 3.4554 5.6435 5.6435 5.7578 5.7578 5.8238 5.8238 5.9722 5.9722 6.0460 6.0460 6.1666 6.1666 7.1650 7.1650 7.3256 7.3256 k = 0.0000 0.2441 0.1461 ( 9526 PWs) bands (ev): -52.7194 -52.7194 -52.7172 -52.7172 -29.4188 -29.4188 -29.4068 -29.4068 -28.8056 -28.8056 -28.7872 -28.7872 -28.6945 -28.6945 -28.6920 -28.6920 -10.5800 -10.5800 -10.0107 -10.0107 -9.9193 -9.9193 -9.8864 -9.8864 -9.8263 -9.8263 -9.7972 -9.7972 -0.0894 -0.0894 -0.0038 -0.0038 0.4459 0.4459 0.5165 0.5165 0.6882 0.6882 1.0464 1.0464 1.2957 1.2957 1.4983 1.4983 1.5954 1.5954 1.7578 1.7578 1.8757 1.8757 2.0393 2.0393 2.2521 2.2521 2.6150 2.6150 2.8483 2.8483 3.0185 3.0185 3.2366 3.2366 3.4370 3.4370 5.6369 5.6369 5.7509 5.7509 5.8290 5.8290 5.9680 5.9680 6.0580 6.0580 6.1762 6.1762 7.1604 7.1604 7.3189 7.3189 k = 0.0000 0.2615 0.1565 ( 9524 PWs) bands (ev): -52.7193 -52.7193 -52.7172 -52.7172 -29.4186 -29.4186 -29.4071 -29.4071 -28.8053 -28.8053 -28.7875 -28.7875 -28.6945 -28.6945 -28.6921 -28.6921 -10.5655 -10.5655 -10.0119 -10.0119 -9.9275 -9.9275 -9.8900 -9.8900 -9.8302 -9.8302 -9.7987 -9.7987 -0.0906 -0.0906 0.0119 0.0119 0.4423 0.4423 0.5134 0.5134 0.6924 0.6924 1.0828 1.0828 1.3133 1.3133 1.4960 1.4960 1.5901 1.5901 1.7673 1.7673 1.8830 1.8830 2.0643 2.0643 2.2671 2.2671 2.5613 2.5613 2.8187 2.8187 3.0032 3.0032 3.2106 3.2106 3.4187 3.4187 5.6306 5.6306 5.7427 5.7427 5.8342 5.8342 5.9634 5.9634 6.0693 6.0693 6.1866 6.1866 7.1581 7.1581 7.3113 7.3113 k = 0.0000 0.2790 0.1670 ( 9527 PWs) bands (ev): -52.7193 -52.7193 -52.7172 -52.7172 -29.4184 -29.4184 -29.4073 -29.4073 -28.8049 -28.8049 -28.7879 -28.7879 -28.6944 -28.6944 -28.6921 -28.6921 -10.5501 -10.5501 -10.0131 -10.0131 -9.9365 -9.9365 -9.8935 -9.8935 -9.8342 -9.8342 -9.8001 -9.8001 -0.0954 -0.0954 0.0327 0.0327 0.4401 0.4401 0.5126 0.5126 0.6968 0.6968 1.1170 1.1170 1.3272 1.3272 1.4967 1.4967 1.5855 1.5855 1.7733 1.7733 1.8914 1.8914 2.0901 2.0901 2.2802 2.2802 2.5075 2.5075 2.7884 2.7884 2.9875 2.9875 3.1870 3.1870 3.4007 3.4007 5.6245 5.6245 5.7333 5.7333 5.8393 5.8393 5.9585 5.9585 6.0798 6.0798 6.1976 6.1976 7.1582 7.1582 7.3031 7.3031 k = 0.0000 0.2964 0.1774 ( 9530 PWs) bands (ev): -52.7193 -52.7193 -52.7173 -52.7173 -29.4182 -29.4182 -29.4075 -29.4075 -28.8046 -28.8046 -28.7883 -28.7883 -28.6944 -28.6944 -28.6922 -28.6922 -10.5340 -10.5340 -10.0144 -10.0144 -9.9464 -9.9464 -9.8967 -9.8967 -9.8385 -9.8385 -9.8014 -9.8014 -0.1015 -0.1015 0.0561 0.0561 0.4393 0.4393 0.5143 0.5143 0.7014 0.7014 1.1482 1.1482 1.3370 1.3370 1.5018 1.5018 1.5819 1.5819 1.7760 1.7760 1.9006 1.9006 2.1158 2.1158 2.2901 2.2901 2.4561 2.4561 2.7580 2.7580 2.9715 2.9715 3.1655 3.1655 3.3832 3.3832 5.6186 5.6186 5.7230 5.7230 5.8441 5.8441 5.9535 5.9535 6.0895 6.0895 6.2091 6.2091 7.1605 7.1605 7.2943 7.2943 k = 0.0000 0.3139 0.1878 ( 9523 PWs) bands (ev): -52.7192 -52.7192 -52.7173 -52.7173 -29.4179 -29.4179 -29.4078 -29.4078 -28.8042 -28.8042 -28.7887 -28.7887 -28.6943 -28.6943 -28.6922 -28.6922 -10.5172 -10.5172 -10.0157 -10.0157 -9.9571 -9.9571 -9.8997 -9.8997 -9.8428 -9.8428 -9.8026 -9.8026 -0.1079 -0.1079 0.0807 0.0807 0.4399 0.4399 0.5186 0.5186 0.7060 0.7060 1.1751 1.1751 1.3430 1.3430 1.5115 1.5115 1.5790 1.5790 1.7758 1.7758 1.9099 1.9099 2.1398 2.1398 2.2937 2.2937 2.4126 2.4126 2.7276 2.7276 2.9553 2.9553 3.1458 3.1458 3.3664 3.3664 5.6127 5.6127 5.7116 5.7116 5.8485 5.8485 5.9484 5.9484 6.0984 6.0984 6.2210 6.2210 7.1648 7.1648 7.2850 7.2850 k = 0.0000 0.3313 0.1983 ( 9526 PWs) bands (ev): -52.7192 -52.7192 -52.7174 -52.7174 -29.4177 -29.4177 -29.4080 -29.4080 -28.8038 -28.8038 -28.7891 -28.7891 -28.6943 -28.6943 -28.6922 -28.6922 -10.4997 -10.4997 -10.0171 -10.0171 -9.9687 -9.9687 -9.9025 -9.9025 -9.8473 -9.8473 -9.8038 -9.8038 -0.1141 -0.1141 0.1058 0.1058 0.4420 0.4420 0.5257 0.5257 0.7106 0.7106 1.1959 1.1959 1.3468 1.3468 1.5253 1.5253 1.5771 1.5771 1.7735 1.7735 1.9185 1.9185 2.1581 2.1581 2.2860 2.2860 2.3863 2.3863 2.6977 2.6977 2.9393 2.9393 3.1274 3.1274 3.3507 3.3507 5.6069 5.6069 5.6996 5.6996 5.8526 5.8526 5.9434 5.9434 6.1066 6.1066 6.2331 6.2331 7.1706 7.1706 7.2757 7.2757 k = 0.0000 0.3487 0.2087 ( 9523 PWs) bands (ev): -52.7191 -52.7191 -52.7174 -52.7174 -29.4174 -29.4174 -29.4083 -29.4083 -28.8033 -28.8033 -28.7895 -28.7895 -28.6942 -28.6942 -28.6923 -28.6923 -10.4816 -10.4816 -10.0187 -10.0187 -9.9809 -9.9809 -9.9050 -9.9050 -9.8518 -9.8518 -9.8049 -9.8049 -0.1199 -0.1199 0.1308 0.1308 0.4457 0.4457 0.5356 0.5356 0.7151 0.7151 1.2091 1.2091 1.3507 1.3507 1.5413 1.5413 1.5766 1.5766 1.7697 1.7697 1.9260 1.9260 2.1619 2.1619 2.2726 2.2726 2.3809 2.3809 2.6686 2.6686 2.9237 2.9237 3.1099 3.1099 3.3364 3.3364 5.6011 5.6011 5.6870 5.6870 5.8562 5.8562 5.9385 5.9385 6.1141 6.1141 6.2452 6.2452 7.1775 7.1775 7.2668 7.2668 k = 0.0000 0.3662 0.2191 ( 9521 PWs) bands (ev): -52.7191 -52.7191 -52.7175 -52.7175 -29.4172 -29.4172 -29.4085 -29.4085 -28.8029 -28.8029 -28.7899 -28.7899 -28.6942 -28.6942 -28.6923 -28.6923 -10.4630 -10.4630 -10.0206 -10.0206 -9.9936 -9.9936 -9.9072 -9.9072 -9.8562 -9.8562 -9.8059 -9.8059 -0.1252 -0.1252 0.1553 0.1553 0.4509 0.4509 0.5481 0.5481 0.7195 0.7195 1.2138 1.2138 1.3565 1.3565 1.5555 1.5555 1.5801 1.5801 1.7651 1.7651 1.9320 1.9320 2.1426 2.1426 2.2711 2.2711 2.3879 2.3879 2.6407 2.6407 2.9088 2.9088 3.0930 3.0930 3.3236 3.3236 5.5951 5.5951 5.6742 5.6742 5.8593 5.8593 5.9338 5.9338 6.1210 6.1210 6.2571 6.2571 7.1841 7.1841 7.2594 7.2594 k = 0.0000 0.3836 0.2296 ( 9519 PWs) bands (ev): -52.7190 -52.7190 -52.7176 -52.7176 -29.4169 -29.4169 -29.4088 -29.4088 -28.8025 -28.8025 -28.7904 -28.7904 -28.6941 -28.6941 -28.6923 -28.6923 -10.4438 -10.4438 -10.0238 -10.0238 -10.0058 -10.0058 -9.9091 -9.9091 -9.8606 -9.8606 -9.8068 -9.8068 -0.1301 -0.1301 0.1791 0.1791 0.4576 0.4576 0.5628 0.5628 0.7237 0.7237 1.2106 1.2106 1.3638 1.3638 1.5612 1.5612 1.5930 1.5930 1.7603 1.7603 1.9362 1.9362 2.1085 2.1085 2.2799 2.2799 2.4011 2.4011 2.6145 2.6145 2.8949 2.8949 3.0762 3.0762 3.3124 3.3124 5.5888 5.5888 5.6615 5.6615 5.8620 5.8620 5.9294 5.9294 6.1273 6.1273 6.2687 6.2687 7.1886 7.1886 7.2552 7.2552 k = 0.0000 0.4010 0.2400 ( 9524 PWs) bands (ev): -52.7189 -52.7189 -52.7176 -52.7176 -29.4166 -29.4166 -29.4091 -29.4091 -28.8020 -28.8020 -28.7908 -28.7908 -28.6941 -28.6941 -28.6924 -28.6924 -10.4243 -10.4243 -10.0312 -10.0312 -10.0146 -10.0146 -9.9107 -9.9107 -9.8649 -9.8649 -9.8077 -9.8077 -0.1345 -0.1345 0.2018 0.2018 0.4660 0.4660 0.5794 0.5794 0.7276 0.7276 1.2014 1.2014 1.3715 1.3715 1.5612 1.5612 1.6111 1.6111 1.7560 1.7560 1.9383 1.9383 2.0715 2.0715 2.2900 2.2900 2.4178 2.4178 2.5908 2.5908 2.8823 2.8823 3.0592 3.0592 3.3030 3.3030 5.5820 5.5820 5.6492 5.6492 5.8643 5.8643 5.9253 5.9253 6.1330 6.1330 6.2797 6.2797 7.1892 7.1892 7.2560 7.2560 k = 0.0000 0.4185 0.2505 ( 9526 PWs) bands (ev): -52.7189 -52.7189 -52.7177 -52.7177 -29.4164 -29.4164 -29.4094 -29.4094 -28.8016 -28.8016 -28.7913 -28.7913 -28.6941 -28.6941 -28.6924 -28.6924 -10.4043 -10.4043 -10.0442 -10.0442 -10.0184 -10.0184 -9.9120 -9.9120 -9.8690 -9.8690 -9.8085 -9.8085 -0.1384 -0.1384 0.2233 0.2233 0.4760 0.4760 0.5972 0.5972 0.7312 0.7312 1.1881 1.1881 1.3777 1.3777 1.5597 1.5597 1.6291 1.6291 1.7531 1.7531 1.9376 1.9376 2.0376 2.0376 2.2972 2.2972 2.4363 2.4363 2.5705 2.5705 2.8715 2.8715 3.0419 3.0419 3.2953 3.2953 5.5747 5.5747 5.6379 5.6379 5.8662 5.8662 5.9216 5.9216 6.1381 6.1381 6.2901 6.2901 7.1855 7.1855 7.2620 7.2620 k = 0.0000 0.4359 0.2609 ( 9525 PWs) bands (ev): -52.7188 -52.7188 -52.7177 -52.7177 -29.4161 -29.4161 -29.4096 -29.4096 -28.8011 -28.8011 -28.7917 -28.7917 -28.6940 -28.6940 -28.6925 -28.6925 -10.3840 -10.3840 -10.0598 -10.0598 -10.0203 -10.0203 -9.9130 -9.9130 -9.8730 -9.8730 -9.8092 -9.8092 -0.1419 -0.1419 0.2433 0.2433 0.4875 0.4875 0.6157 0.6157 0.7343 0.7343 1.1722 1.1722 1.3811 1.3811 1.5583 1.5583 1.6441 1.6441 1.7529 1.7529 1.9330 1.9330 2.0108 2.0108 2.3001 2.3001 2.4545 2.4545 2.5552 2.5552 2.8627 2.8627 3.0242 3.0242 3.2892 3.2892 5.5668 5.5668 5.6278 5.6278 5.8678 5.8678 5.9183 5.9183 6.1428 6.1428 6.2997 6.2997 7.1789 7.1789 7.2714 7.2714 k = 0.0000 0.4533 0.2713 ( 9528 PWs) bands (ev): -52.7188 -52.7188 -52.7178 -52.7178 -29.4158 -29.4158 -29.4099 -29.4099 -28.8007 -28.8007 -28.7922 -28.7922 -28.6940 -28.6940 -28.6925 -28.6925 -10.3635 -10.3635 -10.0766 -10.0766 -10.0216 -10.0216 -9.9138 -9.9138 -9.8767 -9.8767 -9.8098 -9.8098 -0.1450 -0.1450 0.2616 0.2616 0.5005 0.5005 0.6340 0.6340 0.7368 0.7368 1.1549 1.1549 1.3812 1.3812 1.5578 1.5578 1.6539 1.6539 1.7563 1.7563 1.9234 1.9234 1.9935 1.9935 2.2986 2.2986 2.4698 2.4698 2.5467 2.5467 2.8562 2.8562 3.0063 3.0063 3.2845 3.2845 5.5585 5.5585 5.6192 5.6192 5.8690 5.8690 5.9154 5.9154 6.1469 6.1469 6.3085 6.3085 7.1711 7.1711 7.2822 7.2822 k = 0.0000 0.4708 0.2818 ( 9529 PWs) bands (ev): -52.7187 -52.7187 -52.7179 -52.7179 -29.4156 -29.4156 -29.4102 -29.4102 -28.8002 -28.8002 -28.7926 -28.7926 -28.6940 -28.6940 -28.6926 -28.6926 -10.3428 -10.3428 -10.0941 -10.0941 -10.0226 -10.0226 -9.9142 -9.9142 -9.8802 -9.8802 -9.8103 -9.8103 -0.1477 -0.1477 0.2779 0.2779 0.5148 0.5148 0.6515 0.6515 0.7388 0.7388 1.1371 1.1371 1.3779 1.3779 1.5592 1.5592 1.6575 1.6575 1.7640 1.7640 1.9099 1.9099 1.9851 1.9851 2.2929 2.2929 2.4793 2.4793 2.5468 2.5468 2.8523 2.8523 2.9881 2.9881 3.2809 3.2809 5.5500 5.5500 5.6120 5.6120 5.8700 5.8700 5.9129 5.9129 6.1505 6.1505 6.3162 6.3162 7.1633 7.1633 7.2931 7.2931 k = 0.0000 0.4882 0.2922 ( 9532 PWs) bands (ev): -52.7186 -52.7186 -52.7179 -52.7179 -29.4154 -29.4154 -29.4104 -29.4104 -28.7998 -28.7998 -28.7931 -28.7931 -28.6939 -28.6939 -28.6926 -28.6926 -10.3220 -10.3220 -10.1123 -10.1123 -10.0234 -10.0234 -9.9145 -9.9145 -9.8833 -9.8833 -9.8108 -9.8108 -0.1499 -0.1499 0.2919 0.2919 0.5298 0.5298 0.6673 0.6673 0.7401 0.7401 1.1198 1.1198 1.3719 1.3719 1.5627 1.5627 1.6552 1.6552 1.7748 1.7748 1.8954 1.8954 1.9827 1.9827 2.2842 2.2842 2.4831 2.4831 2.5544 2.5544 2.8509 2.8509 2.9700 2.9700 3.2784 3.2784 5.5419 5.5419 5.6063 5.6063 5.8708 5.8708 5.9108 5.9108 6.1535 6.1535 6.3229 6.3229 7.1560 7.1560 7.3028 7.3028 k = 0.0000 0.5057 0.3026 ( 9529 PWs) bands (ev): -52.7186 -52.7186 -52.7180 -52.7180 -29.4151 -29.4151 -29.4106 -29.4106 -28.7994 -28.7994 -28.7935 -28.7935 -28.6939 -28.6939 -28.6926 -28.6926 -10.3014 -10.3014 -10.1309 -10.1309 -10.0240 -10.0240 -9.9145 -9.9145 -9.8860 -9.8860 -9.8112 -9.8112 -0.1518 -0.1518 0.3036 0.3036 0.5449 0.5449 0.6807 0.6807 0.7408 0.7408 1.1037 1.1037 1.3644 1.3644 1.5684 1.5684 1.6487 1.6487 1.7872 1.7872 1.8819 1.8819 1.9835 1.9835 2.2736 2.2736 2.4840 2.4840 2.5652 2.5652 2.8524 2.8524 2.9522 2.9522 3.2765 3.2765 5.5345 5.5345 5.6018 5.6018 5.8714 5.8714 5.9091 5.9091 6.1560 6.1560 6.3284 6.3284 7.1497 7.1497 7.3106 7.3106 k = 0.0000 0.5231 0.3131 ( 9527 PWs) bands (ev): -52.7185 -52.7185 -52.7180 -52.7180 -29.4149 -29.4149 -29.4108 -29.4108 -28.7990 -28.7990 -28.7939 -28.7939 -28.6939 -28.6939 -28.6926 -28.6926 -10.2810 -10.2810 -10.1496 -10.1496 -10.0245 -10.0245 -9.9144 -9.9144 -9.8882 -9.8882 -9.8115 -9.8115 -0.1532 -0.1532 0.3127 0.3127 0.5590 0.5590 0.6911 0.6911 0.7411 0.7411 1.0899 1.0899 1.3568 1.3568 1.5760 1.5760 1.6396 1.6396 1.7997 1.7997 1.8699 1.8699 1.9860 1.9860 2.2629 2.2629 2.4842 2.4842 2.5756 2.5756 2.8565 2.8565 2.9351 2.9351 3.2753 3.2753 5.5282 5.5282 5.5984 5.5984 5.8719 5.8719 5.9078 5.9078 6.1580 6.1580 6.3328 6.3328 7.1445 7.1445 7.3161 7.3161 k = 0.0000 0.5405 0.3235 ( 9532 PWs) bands (ev): -52.7185 -52.7185 -52.7181 -52.7181 -29.4148 -29.4148 -29.4110 -29.4110 -28.7987 -28.7987 -28.7942 -28.7942 -28.6939 -28.6939 -28.6926 -28.6926 -10.2614 -10.2614 -10.1681 -10.1681 -10.0248 -10.0248 -9.9143 -9.9143 -9.8899 -9.8899 -9.8117 -9.8117 -0.1543 -0.1543 0.3193 0.3193 0.5707 0.5707 0.6982 0.6982 0.7412 0.7412 1.0793 1.0793 1.3504 1.3504 1.5851 1.5851 1.6289 1.6289 1.8113 1.8113 1.8592 1.8592 1.9889 1.9889 2.2537 2.2537 2.4844 2.4844 2.5839 2.5839 2.8629 2.8629 2.9193 2.9193 3.2745 3.2745 5.5235 5.5235 5.5960 5.5960 5.8722 5.8722 5.9068 5.9068 6.1594 6.1594 6.3359 6.3359 7.1407 7.1407 7.3195 7.3195 k = 0.0000 0.5580 0.3339 ( 9532 PWs) bands (ev): -52.7184 -52.7184 -52.7181 -52.7181 -29.4147 -29.4147 -29.4111 -29.4111 -28.7985 -28.7985 -28.7944 -28.7944 -28.6939 -28.6939 -28.6926 -28.6926 -10.2441 -10.2441 -10.1847 -10.1847 -10.0250 -10.0250 -9.9141 -9.9141 -9.8910 -9.8910 -9.8118 -9.8118 -0.1549 -0.1549 0.3233 0.3233 0.5787 0.5787 0.7021 0.7021 0.7412 0.7412 1.0726 1.0726 1.3462 1.3462 1.5952 1.5952 1.6176 1.6176 1.8211 1.8211 1.8501 1.8501 1.9913 1.9913 2.2475 2.2475 2.4845 2.4845 2.5891 2.5891 2.8707 2.8707 2.9059 2.9059 3.2741 3.2741 5.5206 5.5206 5.5947 5.5947 5.8724 5.8724 5.9063 5.9063 6.1603 6.1603 6.3378 6.3378 7.1384 7.1384 7.3212 7.3212 k = 0.0000 0.5754 0.3444 ( 9532 PWs) bands (ev): -52.7184 -52.7184 -52.7181 -52.7181 -29.4147 -29.4147 -29.4111 -29.4111 -28.7984 -28.7984 -28.7945 -28.7945 -28.6939 -28.6939 -28.6926 -28.6926 -10.2354 -10.2354 -10.1931 -10.1931 -10.0251 -10.0251 -9.9141 -9.9141 -9.8914 -9.8914 -9.8118 -9.8118 -0.1551 -0.1551 0.3246 0.3246 0.5815 0.5815 0.7034 0.7034 0.7413 0.7413 1.0703 1.0703 1.3447 1.3447 1.6053 1.6053 1.6071 1.6071 1.8261 1.8261 1.8454 1.8454 1.9922 1.9922 2.2453 2.2453 2.4846 2.4846 2.5909 2.5909 2.8754 2.8754 2.8992 2.8992 3.2740 3.2740 5.5196 5.5196 5.5942 5.5942 5.8725 5.8725 5.9061 5.9061 6.1606 6.1606 6.3385 6.3385 7.1377 7.1377 7.3218 7.3218 k = 0.5000 0.2881 0.1735 ( 9546 PWs) bands (ev): -52.7190 -52.7190 -52.7176 -52.7176 -29.4158 -29.4158 -29.4100 -29.4100 -28.8014 -28.8014 -28.7917 -28.7917 -28.6944 -28.6944 -28.6919 -28.6919 -10.3665 -10.3665 -10.1340 -10.1340 -9.9693 -9.9693 -9.8864 -9.8864 -9.8713 -9.8713 -9.8291 -9.8291 -0.2178 -0.2178 0.1968 0.1968 0.3152 0.3152 0.7936 0.7936 0.7953 0.7953 1.2067 1.2067 1.2282 1.2282 1.4766 1.4766 1.5300 1.5300 1.7326 1.7326 1.7625 1.7625 2.2532 2.2532 2.4482 2.4482 2.5972 2.5972 2.7365 2.7365 2.9539 2.9539 3.0555 3.0555 3.2771 3.2771 5.4942 5.4942 5.5253 5.5253 5.9319 5.9319 5.9939 5.9939 6.1535 6.1535 6.2184 6.2184 7.0802 7.0802 7.3392 7.3392 k = 0.4833 0.2785 0.1678 ( 9543 PWs) bands (ev): -52.7190 -52.7190 -52.7176 -52.7176 -29.4158 -29.4158 -29.4100 -29.4100 -28.8014 -28.8014 -28.7917 -28.7917 -28.6944 -28.6944 -28.6919 -28.6919 -10.3686 -10.3686 -10.1320 -10.1320 -9.9694 -9.9694 -9.8865 -9.8865 -9.8711 -9.8711 -9.8289 -9.8289 -0.2172 -0.2172 0.1955 0.1955 0.3152 0.3152 0.7764 0.7764 0.8074 0.8074 1.1985 1.1985 1.2396 1.2396 1.4769 1.4769 1.5340 1.5340 1.7327 1.7327 1.7616 1.7616 2.2549 2.2549 2.4464 2.4464 2.5958 2.5958 2.7340 2.7340 2.9534 2.9534 3.0581 3.0581 3.2777 3.2777 5.4954 5.4954 5.5259 5.5259 5.9312 5.9312 5.9943 5.9943 6.1532 6.1532 6.2177 6.2177 7.0805 7.0805 7.3387 7.3387 k = 0.4667 0.2689 0.1620 ( 9541 PWs) bands (ev): -52.7190 -52.7190 -52.7176 -52.7176 -29.4159 -29.4159 -29.4099 -29.4099 -28.8015 -28.8015 -28.7916 -28.7916 -28.6944 -28.6944 -28.6919 -28.6919 -10.3745 -10.3745 -10.1262 -10.1262 -9.9694 -9.9694 -9.8868 -9.8868 -9.8704 -9.8704 -9.8285 -9.8285 -0.2156 -0.2156 0.1916 0.1916 0.3155 0.3155 0.7549 0.7549 0.8133 0.8133 1.1895 1.1895 1.2581 1.2581 1.4770 1.4770 1.5456 1.5456 1.7321 1.7321 1.7604 1.7604 2.2599 2.2599 2.4413 2.4413 2.5915 2.5915 2.7269 2.7269 2.9523 2.9523 3.0652 3.0652 3.2794 3.2794 5.4990 5.4990 5.5277 5.5277 5.9293 5.9293 5.9956 5.9956 6.1526 6.1526 6.2158 6.2158 7.0815 7.0815 7.3374 7.3374 k = 0.4500 0.2593 0.1562 ( 9549 PWs) bands (ev): -52.7190 -52.7190 -52.7176 -52.7176 -29.4160 -29.4160 -29.4098 -29.4098 -28.8016 -28.8016 -28.7914 -28.7914 -28.6944 -28.6944 -28.6919 -28.6919 -10.3837 -10.3837 -10.1173 -10.1173 -9.9695 -9.9695 -9.8872 -9.8872 -9.8694 -9.8694 -9.8278 -9.8278 -0.2127 -0.2127 0.1849 0.1849 0.3162 0.3162 0.7315 0.7315 0.8116 0.8116 1.1867 1.1867 1.2764 1.2764 1.4762 1.4762 1.5631 1.5631 1.7289 1.7289 1.7634 1.7634 2.2668 2.2668 2.4332 2.4332 2.5845 2.5845 2.7161 2.7161 2.9512 2.9512 3.0757 3.0757 3.2826 3.2826 5.5048 5.5048 5.5306 5.5306 5.9262 5.9262 5.9975 5.9975 6.1515 6.1515 6.2127 6.2127 7.0831 7.0831 7.3349 7.3349 k = 0.4333 0.2497 0.1504 ( 9552 PWs) bands (ev): -52.7190 -52.7190 -52.7176 -52.7176 -29.4162 -29.4162 -29.4097 -29.4097 -28.8018 -28.8018 -28.7912 -28.7912 -28.6945 -28.6945 -28.6919 -28.6919 -10.3956 -10.3956 -10.1059 -10.1059 -9.9697 -9.9697 -9.8877 -9.8877 -9.8682 -9.8682 -9.8268 -9.8268 -0.2089 -0.2089 0.1753 0.1753 0.3178 0.3178 0.7074 0.7074 0.8026 0.8026 1.1908 1.1908 1.2929 1.2929 1.4747 1.4747 1.5817 1.5817 1.7227 1.7227 1.7755 1.7755 2.2739 2.2739 2.4229 2.4229 2.5744 2.5744 2.7030 2.7030 2.9507 2.9507 3.0882 3.0882 3.2873 3.2873 5.5128 5.5128 5.5347 5.5347 5.9221 5.9221 5.9999 5.9999 6.1500 6.1500 6.2084 6.2084 7.0855 7.0855 7.3313 7.3313 k = 0.4167 0.2401 0.1446 ( 9556 PWs) bands (ev): -52.7190 -52.7190 -52.7175 -52.7175 -29.4163 -29.4163 -29.4095 -29.4095 -28.8021 -28.8021 -28.7910 -28.7910 -28.6945 -28.6945 -28.6919 -28.6919 -10.4093 -10.4093 -10.0927 -10.0927 -9.9699 -9.9699 -9.8880 -9.8880 -9.8667 -9.8667 -9.8256 -9.8256 -0.2039 -0.2039 0.1627 0.1627 0.3205 0.3205 0.6836 0.6836 0.7878 0.7878 1.2003 1.2003 1.3071 1.3071 1.4728 1.4728 1.5947 1.5947 1.7165 1.7165 1.7995 1.7995 2.2787 2.2787 2.4116 2.4116 2.5611 2.5611 2.6896 2.6896 2.9514 2.9514 3.1014 3.1014 3.2940 3.2940 5.5227 5.5227 5.5399 5.5399 5.9173 5.9173 6.0026 6.0026 6.1481 6.1481 6.2029 6.2029 7.0886 7.0886 7.3266 7.3266 k = 0.4000 0.2305 0.1388 ( 9550 PWs) bands (ev): -52.7191 -52.7191 -52.7175 -52.7175 -29.4165 -29.4165 -29.4093 -29.4093 -28.8024 -28.8024 -28.7907 -28.7907 -28.6945 -28.6945 -28.6919 -28.6919 -10.4243 -10.4243 -10.0784 -10.0784 -9.9702 -9.9702 -9.8882 -9.8882 -9.8650 -9.8650 -9.8241 -9.8241 -0.1979 -0.1979 0.1474 0.1474 0.3245 0.3245 0.6605 0.6605 0.7693 0.7693 1.2128 1.2128 1.3188 1.3188 1.4715 1.4715 1.5970 1.5970 1.7132 1.7132 1.8366 1.8366 2.2782 2.2782 2.4006 2.4006 2.5444 2.5444 2.6780 2.6780 2.9532 2.9532 3.1145 3.1145 3.3028 3.3028 5.5342 5.5342 5.5461 5.5461 5.9118 5.9118 6.0054 6.0054 6.1459 6.1459 6.1962 6.1962 7.0924 7.0924 7.3208 7.3208 k = 0.3833 0.2209 0.1330 ( 9553 PWs) bands (ev): -52.7191 -52.7191 -52.7175 -52.7175 -29.4167 -29.4167 -29.4091 -29.4091 -28.8027 -28.8027 -28.7904 -28.7904 -28.6945 -28.6945 -28.6919 -28.6919 -10.4402 -10.4402 -10.0635 -10.0635 -9.9705 -9.9705 -9.8881 -9.8881 -9.8632 -9.8632 -9.8225 -9.8225 -0.1910 -0.1910 0.1295 0.1295 0.3299 0.3299 0.6385 0.6385 0.7491 0.7491 1.2255 1.2255 1.3281 1.3281 1.4716 1.4716 1.5891 1.5891 1.7131 1.7131 1.8853 1.8853 2.2702 2.2702 2.3904 2.3904 2.5246 2.5246 2.6704 2.6704 2.9564 2.9564 3.1270 3.1270 3.3138 3.3138 5.5464 5.5464 5.5539 5.5539 5.9057 5.9057 6.0082 6.0082 6.1433 6.1433 6.1884 6.1884 7.0969 7.0969 7.3143 7.3143 k = 0.3667 0.2113 0.1273 ( 9553 PWs) bands (ev): -52.7191 -52.7191 -52.7174 -52.7174 -29.4170 -29.4170 -29.4089 -29.4089 -28.8030 -28.8030 -28.7901 -28.7901 -28.6945 -28.6945 -28.6919 -28.6919 -10.4566 -10.4566 -10.0484 -10.0484 -9.9707 -9.9707 -9.8878 -9.8878 -9.8612 -9.8612 -9.8208 -9.8208 -0.1833 -0.1833 0.1097 0.1097 0.3367 0.3367 0.6179 0.6179 0.7286 0.7286 1.2354 1.2354 1.3359 1.3359 1.4734 1.4734 1.5751 1.5751 1.7152 1.7152 1.9421 1.9421 2.2546 2.2546 2.3796 2.3796 2.5028 2.5028 2.6682 2.6682 2.9610 2.9610 3.1387 3.1387 3.3271 3.3271 5.5570 5.5570 5.5653 5.5653 5.8992 5.8992 6.0109 6.0109 6.1404 6.1404 6.1796 6.1796 7.1022 7.1022 7.3074 7.3074 k = 0.3500 0.2017 0.1215 ( 9553 PWs) bands (ev): -52.7192 -52.7192 -52.7174 -52.7174 -29.4172 -29.4172 -29.4086 -29.4086 -28.8033 -28.8033 -28.7897 -28.7897 -28.6945 -28.6945 -28.6919 -28.6919 -10.4732 -10.4732 -10.0335 -10.0335 -9.9707 -9.9707 -9.8872 -9.8872 -9.8591 -9.8591 -9.8189 -9.8189 -0.1747 -0.1747 0.0884 0.0884 0.3447 0.3447 0.5989 0.5989 0.7090 0.7090 1.2395 1.2395 1.3436 1.3436 1.4756 1.4756 1.5595 1.5595 1.7187 1.7187 2.0032 2.0032 2.2331 2.2331 2.3656 2.3656 2.4807 2.4807 2.6722 2.6722 2.9669 2.9669 3.1498 3.1498 3.3424 3.3424 5.5659 5.5659 5.5801 5.5801 5.8923 5.8923 6.0133 6.0133 6.1372 6.1372 6.1698 6.1698 7.1083 7.1083 7.3005 7.3005 k = 0.3333 0.1921 0.1157 ( 9549 PWs) bands (ev): -52.7192 -52.7192 -52.7174 -52.7174 -29.4174 -29.4174 -29.4084 -29.4084 -28.8037 -28.8037 -28.7894 -28.7894 -28.6945 -28.6945 -28.6919 -28.6919 -10.4899 -10.4899 -10.0194 -10.0194 -9.9703 -9.9703 -9.8864 -9.8864 -9.8569 -9.8569 -9.8169 -9.8169 -0.1654 -0.1654 0.0662 0.0662 0.3538 0.3538 0.5816 0.5816 0.6910 0.6910 1.2357 1.2357 1.3528 1.3528 1.4751 1.4751 1.5476 1.5476 1.7230 1.7230 2.0635 2.0635 2.2095 2.2095 2.3467 2.3467 2.4600 2.4600 2.6820 2.6820 2.9742 2.9742 3.1606 3.1606 3.3593 3.3593 5.5745 5.5745 5.5964 5.5964 5.8851 5.8851 6.0155 6.0155 6.1336 6.1336 6.1592 6.1592 7.1152 7.1152 7.2939 7.2939 k = 0.3167 0.1825 0.1099 ( 9544 PWs) bands (ev): -52.7192 -52.7192 -52.7173 -52.7173 -29.4176 -29.4176 -29.4081 -29.4081 -28.8040 -28.8040 -28.7890 -28.7890 -28.6946 -28.6946 -28.6919 -28.6919 -10.5063 -10.5063 -10.0069 -10.0069 -9.9686 -9.9686 -9.8852 -9.8852 -9.8545 -9.8545 -9.8149 -9.8149 -0.1556 -0.1556 0.0438 0.0438 0.3640 0.3640 0.5661 0.5661 0.6749 0.6749 1.2237 1.2237 1.3631 1.3631 1.4674 1.4674 1.5442 1.5442 1.7282 1.7282 2.1085 2.1085 2.1964 2.1964 2.3235 2.3235 2.4420 2.4420 2.6970 2.6970 2.9826 2.9826 3.1717 3.1717 3.3773 3.3773 5.5832 5.5832 5.6133 5.6133 5.8777 5.8777 6.0173 6.0173 6.1295 6.1295 6.1482 6.1482 7.1228 7.1228 7.2879 7.2879 k = 0.3000 0.1729 0.1041 ( 9544 PWs) bands (ev): -52.7193 -52.7193 -52.7173 -52.7173 -29.4179 -29.4179 -29.4079 -29.4079 -28.8044 -28.8044 -28.7886 -28.7886 -28.6946 -28.6946 -28.6919 -28.6919 -10.5225 -10.5225 -9.9974 -9.9974 -9.9647 -9.9647 -9.8838 -9.8838 -9.8520 -9.8520 -9.8128 -9.8128 -0.1456 -0.1456 0.0216 0.0216 0.3749 0.3749 0.5525 0.5525 0.6612 0.6612 1.2048 1.2048 1.3725 1.3725 1.4541 1.4541 1.5492 1.5492 1.7341 1.7341 2.1069 2.1069 2.2179 2.2179 2.3016 2.3016 2.4291 2.4291 2.7161 2.7161 2.9922 2.9922 3.1836 3.1836 3.3961 3.3961 5.5921 5.5921 5.6307 5.6307 5.8700 5.8700 6.0187 6.0187 6.1241 6.1241 6.1376 6.1376 7.1312 7.1312 7.2828 7.2828 k = 0.2833 0.1633 0.0983 ( 9545 PWs) bands (ev): -52.7193 -52.7193 -52.7172 -52.7172 -29.4181 -29.4181 -29.4077 -29.4077 -28.8047 -28.8047 -28.7883 -28.7883 -28.6946 -28.6946 -28.6919 -28.6919 -10.5383 -10.5383 -9.9919 -9.9919 -9.9574 -9.9574 -9.8822 -9.8822 -9.8493 -9.8493 -9.8107 -9.8107 -0.1357 -0.1357 0.0006 0.0006 0.3866 0.3866 0.5412 0.5412 0.6498 0.6498 1.1804 1.1804 1.3762 1.3762 1.4423 1.4423 1.5586 1.5586 1.7405 1.7405 2.0772 2.0772 2.2302 2.2302 2.3001 2.3001 2.4283 2.4283 2.7383 2.7383 3.0027 3.0027 3.1969 3.1969 3.4151 3.4151 5.6010 5.6010 5.6480 5.6480 5.8622 5.8622 6.0195 6.0195 6.1151 6.1151 6.1298 6.1298 7.1403 7.1403 7.2790 7.2790 k = 0.2667 0.1537 0.0926 ( 9545 PWs) bands (ev): -52.7194 -52.7194 -52.7172 -52.7172 -29.4183 -29.4183 -29.4074 -29.4074 -28.8050 -28.8050 -28.7879 -28.7879 -28.6946 -28.6946 -28.6919 -28.6919 -10.5536 -10.5536 -9.9897 -9.9897 -9.9478 -9.9478 -9.8803 -9.8803 -9.8464 -9.8464 -9.8086 -9.8086 -0.1269 -0.1269 -0.0183 -0.0183 0.3987 0.3987 0.5320 0.5320 0.6409 0.6409 1.1517 1.1517 1.3684 1.3684 1.4398 1.4398 1.5697 1.5697 1.7473 1.7473 2.0403 2.0403 2.2083 2.2083 2.3104 2.3104 2.4530 2.4530 2.7626 2.7626 3.0138 3.0138 3.2120 3.2120 3.4341 3.4341 5.6100 5.6100 5.6652 5.6652 5.8543 5.8543 6.0198 6.0198 6.1027 6.1027 6.1250 6.1250 7.1501 7.1501 7.2765 7.2765 k = 0.2500 0.1441 0.0868 ( 9540 PWs) bands (ev): -52.7194 -52.7194 -52.7172 -52.7172 -29.4185 -29.4185 -29.4072 -29.4072 -28.8054 -28.8054 -28.7876 -28.7876 -28.6946 -28.6946 -28.6918 -28.6918 -10.5682 -10.5682 -9.9893 -9.9893 -9.9372 -9.9372 -9.8783 -9.8783 -9.8432 -9.8432 -9.8065 -9.8065 -0.1207 -0.1207 -0.0330 -0.0330 0.4111 0.4111 0.5253 0.5253 0.6345 0.6345 1.1196 1.1196 1.3502 1.3502 1.4461 1.4461 1.5811 1.5811 1.7542 1.7542 2.0010 2.0010 2.1774 2.1774 2.3045 2.3045 2.5019 2.5019 2.7886 2.7886 3.0255 3.0255 3.2293 3.2293 3.4528 3.4528 5.6189 5.6189 5.6819 5.6819 5.8466 5.8466 6.0195 6.0195 6.0886 6.0886 6.1215 6.1215 7.1605 7.1605 7.2755 7.2755 k = 0.2333 0.1345 0.0810 ( 9525 PWs) bands (ev): -52.7194 -52.7194 -52.7171 -52.7171 -29.4187 -29.4187 -29.4070 -29.4070 -28.8056 -28.8056 -28.7872 -28.7872 -28.6946 -28.6946 -28.6918 -28.6918 -10.5822 -10.5822 -9.9897 -9.9897 -9.9268 -9.9268 -9.8762 -9.8762 -9.8398 -9.8398 -9.8045 -9.8045 -0.1202 -0.1202 -0.0405 -0.0405 0.4236 0.4236 0.5210 0.5210 0.6304 0.6304 1.0848 1.0848 1.3272 1.3272 1.4561 1.4561 1.5920 1.5920 1.7609 1.7609 1.9611 1.9611 2.1449 2.1449 2.2887 2.2887 2.5604 2.5604 2.8156 2.8156 3.0374 3.0374 3.2491 3.2491 3.4709 3.4709 5.6278 5.6278 5.6979 5.6979 5.8390 5.8390 6.0184 6.0184 6.0737 6.0737 6.1186 6.1186 7.1714 7.1714 7.2763 7.2763 k = 0.2167 0.1249 0.0752 ( 9525 PWs) bands (ev): -52.7195 -52.7195 -52.7171 -52.7171 -29.4189 -29.4189 -29.4068 -29.4068 -28.8059 -28.8059 -28.7869 -28.7869 -28.6947 -28.6947 -28.6918 -28.6918 -10.5955 -10.5955 -9.9906 -9.9906 -9.9171 -9.9171 -9.8740 -9.8740 -9.8362 -9.8362 -9.8024 -9.8024 -0.1267 -0.1267 -0.0390 -0.0390 0.4360 0.4360 0.5190 0.5190 0.6286 0.6286 1.0479 1.0479 1.3020 1.3020 1.4668 1.4668 1.6023 1.6023 1.7667 1.7667 1.9219 1.9219 2.1124 2.1124 2.2690 2.2690 2.6201 2.6201 2.8433 2.8433 3.0494 3.0494 3.2717 3.2717 3.4883 3.4883 5.6366 5.6366 5.7128 5.7128 5.8318 5.8318 6.0166 6.0166 6.0584 6.0584 6.1163 6.1163 7.1828 7.1828 7.2787 7.2787 k = 0.2000 0.1152 0.0694 ( 9524 PWs) bands (ev): -52.7195 -52.7195 -52.7171 -52.7171 -29.4191 -29.4191 -29.4066 -29.4066 -28.8062 -28.8062 -28.7866 -28.7866 -28.6947 -28.6947 -28.6918 -28.6918 -10.6080 -10.6080 -9.9917 -9.9917 -9.9082 -9.9082 -9.8718 -9.8718 -9.8323 -9.8323 -9.8004 -9.8004 -0.1384 -0.1384 -0.0305 -0.0305 0.4480 0.4480 0.5191 0.5191 0.6292 0.6292 1.0097 1.0097 1.2759 1.2759 1.4772 1.4772 1.6117 1.6117 1.7709 1.7709 1.8848 1.8848 2.0807 2.0807 2.2476 2.2476 2.6776 2.6776 2.8711 2.8711 3.0614 3.0614 3.2972 3.2972 3.5049 3.5049 5.6452 5.6452 5.7262 5.7262 5.8252 5.8252 6.0135 6.0135 6.0434 6.0434 6.1145 6.1145 7.1944 7.1944 7.2828 7.2828 k = 0.1833 0.1056 0.0636 ( 9517 PWs) bands (ev): -52.7195 -52.7195 -52.7170 -52.7170 -29.4193 -29.4193 -29.4064 -29.4064 -28.8065 -28.8065 -28.7863 -28.7863 -28.6947 -28.6947 -28.6918 -28.6918 -10.6197 -10.6197 -9.9929 -9.9929 -9.9004 -9.9004 -9.8696 -9.8696 -9.8282 -9.8282 -9.7985 -9.7985 -0.1523 -0.1523 -0.0177 -0.0177 0.4595 0.4595 0.5211 0.5211 0.6320 0.6320 0.9707 0.9707 1.2492 1.2492 1.4868 1.4868 1.6203 1.6203 1.7716 1.7716 1.8522 1.8522 2.0502 2.0502 2.2259 2.2259 2.7310 2.7310 2.8986 2.8986 3.0731 3.0731 3.3255 3.3255 3.5205 3.5205 5.6537 5.6537 5.7379 5.7379 5.8196 5.8196 6.0082 6.0082 6.0301 6.0301 6.1130 6.1130 7.2063 7.2063 7.2885 7.2885 k = 0.1667 0.0960 0.0578 ( 9518 PWs) bands (ev): -52.7195 -52.7195 -52.7170 -52.7170 -29.4195 -29.4195 -29.4062 -29.4062 -28.8067 -28.8067 -28.7861 -28.7861 -28.6947 -28.6947 -28.6918 -28.6918 -10.6305 -10.6305 -9.9941 -9.9941 -9.8935 -9.8935 -9.8675 -9.8675 -9.8240 -9.8240 -9.7965 -9.7965 -0.1666 -0.1666 -0.0024 -0.0024 0.4702 0.4702 0.5244 0.5244 0.6370 0.6370 0.9317 0.9317 1.2222 1.2222 1.4951 1.4951 1.6279 1.6279 1.7653 1.7653 1.8281 1.8281 2.0213 2.0213 2.2046 2.2046 2.7795 2.7795 2.9252 2.9252 3.0844 3.0844 3.3564 3.3564 3.5350 3.5350 5.6620 5.6620 5.7472 5.7472 5.8154 5.8154 5.9983 5.9983 6.0210 6.0210 6.1120 6.1120 7.2182 7.2182 7.2957 7.2957 k = 0.1500 0.0864 0.0521 ( 9517 PWs) bands (ev): -52.7196 -52.7196 -52.7170 -52.7170 -29.4196 -29.4196 -29.4060 -29.4060 -28.8070 -28.8070 -28.7858 -28.7858 -28.6947 -28.6947 -28.6918 -28.6918 -10.6403 -10.6403 -9.9953 -9.9953 -9.8876 -9.8876 -9.8656 -9.8656 -9.8198 -9.8198 -9.7946 -9.7946 -0.1805 -0.1805 0.0146 0.0146 0.4800 0.4800 0.5287 0.5287 0.6439 0.6439 0.8937 0.8937 1.1949 1.1949 1.5019 1.5019 1.6346 1.6346 1.7495 1.7495 1.8158 1.8158 1.9943 1.9943 2.1841 2.1841 2.8230 2.8230 2.9500 2.9500 3.0951 3.0951 3.3894 3.3894 3.5486 3.5486 5.6701 5.6701 5.7538 5.7538 5.8129 5.8129 5.9844 5.9844 6.0159 6.0159 6.1112 6.1112 7.2300 7.2300 7.3040 7.3040 k = 0.1333 0.0768 0.0463 ( 9512 PWs) bands (ev): -52.7196 -52.7196 -52.7169 -52.7169 -29.4197 -29.4197 -29.4059 -29.4059 -28.8072 -28.8072 -28.7856 -28.7856 -28.6947 -28.6947 -28.6918 -28.6918 -10.6492 -10.6492 -9.9964 -9.9964 -9.8826 -9.8826 -9.8637 -9.8637 -9.8158 -9.8158 -9.7927 -9.7927 -0.1934 -0.1934 0.0328 0.0328 0.4886 0.4886 0.5335 0.5335 0.6522 0.6522 0.8577 0.8577 1.1676 1.1676 1.5071 1.5071 1.6400 1.6400 1.7291 1.7291 1.8111 1.8111 1.9695 1.9695 2.1649 2.1649 2.8616 2.8616 2.9725 2.9725 3.1048 3.1048 3.4236 3.4236 3.5611 3.5611 5.6780 5.6780 5.7575 5.7575 5.8125 5.8125 5.9689 5.9689 6.0127 6.0127 6.1108 6.1108 7.2417 7.2417 7.3133 7.3133 k = 0.1167 0.0672 0.0405 ( 9514 PWs) bands (ev): -52.7196 -52.7196 -52.7169 -52.7169 -29.4199 -29.4199 -29.4058 -29.4058 -28.8074 -28.8074 -28.7854 -28.7854 -28.6947 -28.6947 -28.6918 -28.6918 -10.6572 -10.6572 -9.9975 -9.9975 -9.8784 -9.8784 -9.8621 -9.8621 -9.8120 -9.8120 -9.7909 -9.7909 -0.2051 -0.2051 0.0517 0.0517 0.4956 0.4956 0.5385 0.5385 0.6608 0.6608 0.8254 0.8254 1.1403 1.1403 1.5103 1.5103 1.6437 1.6437 1.7104 1.7104 1.8086 1.8086 1.9474 1.9474 2.1474 2.1474 2.8957 2.8957 2.9921 2.9921 3.1134 3.1134 3.4577 3.4577 3.5727 3.5727 5.6854 5.6854 5.7588 5.7588 5.8138 5.8138 5.9533 5.9533 6.0105 6.0105 6.1105 6.1105 7.2530 7.2530 7.3232 7.3232 k = 0.1000 0.0576 0.0347 ( 9507 PWs) bands (ev): -52.7196 -52.7196 -52.7169 -52.7169 -29.4200 -29.4200 -29.4056 -29.4056 -28.8075 -28.8075 -28.7852 -28.7852 -28.6947 -28.6947 -28.6918 -28.6918 -10.6641 -10.6641 -9.9984 -9.9984 -9.8749 -9.8749 -9.8607 -9.8607 -9.8087 -9.8087 -9.7891 -9.7891 -0.2154 -0.2154 0.0709 0.0709 0.5005 0.5005 0.5435 0.5435 0.6680 0.6680 0.7993 0.7993 1.1133 1.1133 1.5114 1.5114 1.6446 1.6446 1.6969 1.6969 1.8062 1.8062 1.9281 1.9281 2.1317 2.1317 2.9258 2.9258 3.0085 3.0085 3.1206 3.1206 3.4901 3.4901 3.5835 3.5835 5.6922 5.6922 5.7587 5.7587 5.8159 5.8159 5.9380 5.9380 6.0089 6.0089 6.1104 6.1104 7.2637 7.2637 7.3334 7.3334 k = 0.0833 0.0480 0.0289 ( 9501 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4200 -29.4200 -29.4055 -29.4055 -28.8076 -28.8076 -28.7851 -28.7851 -28.6947 -28.6947 -28.6918 -28.6918 -10.6700 -10.6700 -9.9992 -9.9992 -9.8720 -9.8720 -9.8596 -9.8596 -9.8059 -9.8059 -9.7873 -9.7873 -0.2243 -0.2243 0.0900 0.0900 0.5027 0.5027 0.5484 0.5484 0.6709 0.6709 0.7825 0.7825 1.0871 1.0871 1.5107 1.5107 1.6424 1.6424 1.6899 1.6899 1.8030 1.8030 1.9121 1.9121 2.1182 2.1182 2.9521 2.9521 3.0216 3.0216 3.1263 3.1263 3.5192 3.5192 3.5940 3.5940 5.6981 5.6981 5.7582 5.7582 5.8183 5.8183 5.9236 5.9236 6.0078 6.0078 6.1104 6.1104 7.2736 7.2736 7.3435 7.3435 k = 0.0667 0.0384 0.0231 ( 9495 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4201 -29.4201 -29.4054 -29.4054 -28.8077 -28.8077 -28.7850 -28.7850 -28.6947 -28.6947 -28.6918 -28.6918 -10.6748 -10.6748 -9.9999 -9.9999 -9.8697 -9.8697 -9.8586 -9.8586 -9.8036 -9.8036 -9.7857 -9.7857 -0.2317 -0.2317 0.1080 0.1080 0.5021 0.5021 0.5531 0.5531 0.6680 0.6680 0.7770 0.7770 1.0624 1.0624 1.5086 1.5086 1.6385 1.6385 1.6880 1.6880 1.7991 1.7991 1.8995 1.8995 2.1070 2.1070 2.9749 2.9749 3.0313 3.0313 3.1306 3.1306 3.5431 3.5431 3.6045 3.6045 5.7030 5.7030 5.7578 5.7578 5.8206 5.8206 5.9104 5.9104 6.0071 6.0071 6.1104 6.1104 7.2825 7.2825 7.3532 7.3532 k = 0.0500 0.0288 0.0174 ( 9490 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4202 -29.4202 -29.4054 -29.4054 -28.8078 -28.8078 -28.7849 -28.7849 -28.6947 -28.6947 -28.6918 -28.6918 -10.6786 -10.6786 -10.0005 -10.0005 -9.8679 -9.8679 -9.8579 -9.8579 -9.8019 -9.8019 -9.7844 -9.7844 -0.2374 -0.2374 0.1241 0.1241 0.4990 0.4990 0.5572 0.5572 0.6613 0.6613 0.7804 0.7804 1.0402 1.0402 1.5057 1.5057 1.6347 1.6347 1.6886 1.6886 1.7948 1.7948 1.8902 1.8902 2.0982 2.0982 2.9943 2.9943 3.0375 3.0375 3.1335 3.1335 3.5605 3.5605 3.6152 3.6152 5.7067 5.7067 5.7580 5.7580 5.8226 5.8226 5.8990 5.8990 6.0067 6.0067 6.1105 6.1105 7.2900 7.2900 7.3622 7.3622 k = 0.0333 0.0192 0.0116 ( 9489 PWs) bands (ev): -52.7197 -52.7197 -52.7169 -52.7169 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7848 -28.7848 -28.6947 -28.6947 -28.6918 -28.6918 -10.6813 -10.6813 -10.0009 -10.0009 -9.8666 -9.8666 -9.8575 -9.8575 -9.8007 -9.8007 -9.7833 -9.7833 -0.2416 -0.2416 0.1371 0.1371 0.4948 0.4948 0.5604 0.5604 0.6545 0.6545 0.7876 0.7876 1.0220 1.0220 1.5029 1.5029 1.6320 1.6320 1.6901 1.6901 1.7908 1.7908 1.8839 1.8839 2.0918 2.0918 3.0099 3.0099 3.0403 3.0403 3.1352 3.1352 3.5717 3.5717 3.6249 3.6249 5.7092 5.7092 5.7586 5.7586 5.8244 5.8244 5.8899 5.8899 6.0066 6.0066 6.1106 6.1106 7.2957 7.2957 7.3704 7.3704 k = 0.0167 0.0096 0.0058 ( 9482 PWs) bands (ev): -52.7197 -52.7197 -52.7168 -52.7168 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7847 -28.7847 -28.6947 -28.6947 -28.6918 -28.6918 -10.6830 -10.6830 -10.0011 -10.0011 -9.8659 -9.8659 -9.8572 -9.8572 -9.8000 -9.8000 -9.7827 -9.7827 -0.2441 -0.2441 0.1455 0.1455 0.4911 0.4911 0.5624 0.5624 0.6499 0.6499 0.7941 0.7941 1.0097 1.0097 1.5010 1.5010 1.6305 1.6305 1.6913 1.6913 1.7880 1.7880 1.8802 1.8802 2.0880 2.0880 3.0214 3.0214 3.0401 3.0401 3.1361 3.1361 3.5776 3.5776 3.6318 3.6318 5.7105 5.7105 5.7592 5.7592 5.8256 5.8256 5.8840 5.8840 6.0066 6.0066 6.1106 6.1106 7.2993 7.2993 7.3773 7.3773 k = 0.0000 0.0000 0.0000 ( 9487 PWs) bands (ev): -52.7197 -52.7197 -52.7168 -52.7168 -29.4202 -29.4202 -29.4053 -29.4053 -28.8079 -28.8079 -28.7847 -28.7847 -28.6947 -28.6947 -28.6918 -28.6918 -10.6835 -10.6835 -10.0012 -10.0012 -9.8656 -9.8656 -9.8571 -9.8571 -9.7997 -9.7997 -9.7824 -9.7824 -0.2449 -0.2449 0.1485 0.1485 0.4897 0.4897 0.5632 0.5632 0.6483 0.6483 0.7966 0.7966 1.0054 1.0054 1.5003 1.5003 1.6300 1.6300 1.6917 1.6917 1.7870 1.7870 1.8791 1.8791 2.0867 2.0867 3.0264 3.0264 3.0389 3.0389 3.1364 3.1364 3.5795 3.5795 3.6343 3.6343 5.7109 5.7109 5.7595 5.7595 5.8261 5.8261 5.8819 5.8819 6.0066 6.0066 6.1106 6.1106 7.3005 7.3005 7.3810 7.3810 Writing output data file TiBr3.save init_run : 4.52s CPU 10.46s WALL ( 1 calls) electrons : 1293.46s CPU 1305.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.46s CPU 1.88s WALL ( 1 calls) Called by electrons: c_bands : 1293.44s CPU 1305.47s WALL ( 1 calls) v_of_rho : 0.17s CPU 1.07s WALL ( 1 calls) v_h : 0.08s CPU 0.11s WALL ( 1 calls) v_xc : 0.08s CPU 0.61s WALL ( 1 calls) newd : 0.84s CPU 1.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.12s WALL ( 222 calls) cegterg : 1224.96s CPU 1234.62s WALL ( 445 calls) Called by sum_band: Called by *egterg: h_psi : 640.68s CPU 647.82s WALL ( 8240 calls) s_psi : 39.18s CPU 39.22s WALL ( 8240 calls) g_psi : 1.49s CPU 1.51s WALL ( 7573 calls) cdiaghg : 364.12s CPU 363.04s WALL ( 7795 calls) cegterg:over : 108.52s CPU 106.76s WALL ( 7573 calls) cegterg:upda : 42.90s CPU 44.64s WALL ( 7573 calls) cegterg:last : 35.00s CPU 35.39s WALL ( 1333 calls) Called by h_psi: h_psi:vloc : 553.18s CPU 558.58s WALL ( 8240 calls) h_psi:vnl : 86.47s CPU 87.63s WALL ( 8240 calls) add_vuspsi : 30.85s CPU 33.69s WALL ( 8240 calls) General routines calbec : 55.59s CPU 53.87s WALL ( 8240 calls) fft : 0.34s CPU 1.43s WALL ( 19 calls) ffts : 0.00s CPU 0.12s WALL ( 4 calls) fftw : 488.06s CPU 488.41s WALL ( 1214904 calls) interpolate : 0.03s CPU 0.15s WALL ( 4 calls) davcio : 0.03s CPU 1.37s WALL ( 444 calls) Parallel routines fft_scatter : 276.90s CPU 274.43s WALL ( 1214927 calls) PWSCF : 22m52.00s CPU 25m 2.01s WALL This run was terminated on: 2:12:27 20Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=