Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 9:59:56 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./ZrSb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 18 15 4 1644 1241 186 Max 19 16 5 1675 1262 203 Sum 1361 1137 323 119755 90067 13889 bravais-lattice index = 14 lattice parameter (alat) = 10.4938 a.u. unit-cell volume = 1885.7661 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.493826 celldm(2)= 1.000000 celldm(3)= 2.522378 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.762526 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.762526 0.646958 0.000000 ) a(3) = ( 0.000000 0.000000 2.522378 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.178632 -0.000000 ) b(2) = ( 0.000000 1.545695 -0.000000 ) b(3) = ( 0.000000 0.000000 0.396451 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 Zr 4.00 91.22400 Zr( 1.00) Sb 5.00 121.76000 Sb( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 322 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 2) = ( 0.0060358 0.0164436 -0.0000000), wk = 0.0031056 k( 3) = ( 0.0120716 0.0328871 -0.0000000), wk = 0.0031056 k( 4) = ( 0.0181075 0.0493307 -0.0000000), wk = 0.0031056 k( 5) = ( 0.0241433 0.0657742 -0.0000000), wk = 0.0031056 k( 6) = ( 0.0301791 0.0822178 -0.0000000), wk = 0.0031056 k( 7) = ( 0.0362150 0.0986614 -0.0000000), wk = 0.0031056 k( 8) = ( 0.0422508 0.1151049 -0.0000000), wk = 0.0031056 k( 9) = ( 0.0482866 0.1315485 -0.0000000), wk = 0.0031056 k( 10) = ( 0.0543224 0.1479921 -0.0000000), wk = 0.0031056 k( 11) = ( 0.0603583 0.1644356 -0.0000000), wk = 0.0031056 k( 12) = ( 0.0663941 0.1808792 -0.0000000), wk = 0.0031056 k( 13) = ( 0.0724299 0.1973228 -0.0000000), wk = 0.0031056 k( 14) = ( 0.0784657 0.2137663 -0.0000000), wk = 0.0031056 k( 15) = ( 0.0845016 0.2302099 -0.0000000), wk = 0.0031056 k( 16) = ( 0.0905374 0.2466535 -0.0000000), wk = 0.0031056 k( 17) = ( 0.0965732 0.2630970 -0.0000000), wk = 0.0031056 k( 18) = ( 0.1026090 0.2795406 -0.0000000), wk = 0.0031056 k( 19) = ( 0.1086449 0.2959842 -0.0000000), wk = 0.0031056 k( 20) = ( 0.1146807 0.3124277 -0.0000000), wk = 0.0031056 k( 21) = ( 0.1207165 0.3288713 -0.0000000), wk = 0.0031056 k( 22) = ( 0.1267524 0.3453149 -0.0000000), wk = 0.0031056 k( 23) = ( 0.1327882 0.3617584 -0.0000000), wk = 0.0031056 k( 24) = ( 0.1388240 0.3782020 -0.0000000), wk = 0.0031056 k( 25) = ( 0.1448598 0.3946456 -0.0000000), wk = 0.0031056 k( 26) = ( 0.1508957 0.4110891 -0.0000000), wk = 0.0031056 k( 27) = ( 0.1569315 0.4275327 -0.0000000), wk = 0.0031056 k( 28) = ( 0.1629673 0.4439763 -0.0000000), wk = 0.0031056 k( 29) = ( 0.1690031 0.4604198 -0.0000000), wk = 0.0031056 k( 30) = ( 0.1750390 0.4768634 -0.0000000), wk = 0.0031056 k( 31) = ( 0.1810748 0.4933070 -0.0000000), wk = 0.0031056 k( 32) = ( 0.1871106 0.5097505 -0.0000000), wk = 0.0031056 k( 33) = ( 0.1931464 0.5261941 -0.0000000), wk = 0.0031056 k( 34) = ( 0.1991823 0.5426376 -0.0000000), wk = 0.0031056 k( 35) = ( 0.2052181 0.5590812 -0.0000000), wk = 0.0031056 k( 36) = ( 0.2112539 0.5755248 -0.0000000), wk = 0.0031056 k( 37) = ( 0.2172897 0.5919683 -0.0000000), wk = 0.0031056 k( 38) = ( 0.2233256 0.6084119 -0.0000000), wk = 0.0031056 k( 39) = ( 0.2293614 0.6248555 -0.0000000), wk = 0.0031056 k( 40) = ( 0.2353972 0.6412990 -0.0000000), wk = 0.0031056 k( 41) = ( 0.2414331 0.6577426 -0.0000000), wk = 0.0031056 k( 42) = ( 0.2474689 0.6741862 -0.0000000), wk = 0.0031056 k( 43) = ( 0.2535047 0.6906297 -0.0000000), wk = 0.0031056 k( 44) = ( 0.2595405 0.7070733 -0.0000000), wk = 0.0031056 k( 45) = ( 0.2655764 0.7235169 -0.0000000), wk = 0.0031056 k( 46) = ( 0.2716122 0.7399604 -0.0000000), wk = 0.0031056 k( 47) = ( 0.2776480 0.7564040 -0.0000000), wk = 0.0031056 k( 48) = ( 0.2836838 0.7728476 -0.0000000), wk = 0.0031056 k( 49) = ( 0.2836838 0.7728476 -0.0000000), wk = 0.0031056 k( 50) = ( 0.2669965 0.7728476 -0.0000000), wk = 0.0031056 k( 51) = ( 0.2503093 0.7728476 -0.0000000), wk = 0.0031056 k( 52) = ( 0.2336220 0.7728476 -0.0000000), wk = 0.0031056 k( 53) = ( 0.2169347 0.7728476 -0.0000000), wk = 0.0031056 k( 54) = ( 0.2002474 0.7728476 -0.0000000), wk = 0.0031056 k( 55) = ( 0.1835601 0.7728476 -0.0000000), wk = 0.0031056 k( 56) = ( 0.1668728 0.7728476 -0.0000000), wk = 0.0031056 k( 57) = ( 0.1501856 0.7728476 -0.0000000), wk = 0.0031056 k( 58) = ( 0.1334983 0.7728476 -0.0000000), wk = 0.0031056 k( 59) = ( 0.1168110 0.7728476 -0.0000000), wk = 0.0031056 k( 60) = ( 0.1001237 0.7728476 -0.0000000), wk = 0.0031056 k( 61) = ( 0.0834364 0.7728476 -0.0000000), wk = 0.0031056 k( 62) = ( 0.0667491 0.7728476 -0.0000000), wk = 0.0031056 k( 63) = ( 0.0500618 0.7728476 -0.0000000), wk = 0.0031056 k( 64) = ( 0.0333746 0.7728476 -0.0000000), wk = 0.0031056 k( 65) = ( 0.0166873 0.7728476 -0.0000000), wk = 0.0031056 k( 66) = ( 0.0000000 0.7728476 -0.0000000), wk = 0.0031056 k( 67) = ( 0.0000000 0.7728476 -0.0000000), wk = 0.0031056 k( 68) = ( 0.0000000 0.7728476 0.0165188), wk = 0.0031056 k( 69) = ( 0.0000000 0.7728476 0.0330376), wk = 0.0031056 k( 70) = ( 0.0000000 0.7728476 0.0495564), wk = 0.0031056 k( 71) = ( 0.0000000 0.7728476 0.0660752), wk = 0.0031056 k( 72) = ( 0.0000000 0.7728476 0.0825940), wk = 0.0031056 k( 73) = ( 0.0000000 0.7728476 0.0991128), wk = 0.0031056 k( 74) = ( 0.0000000 0.7728476 0.1156316), wk = 0.0031056 k( 75) = ( 0.0000000 0.7728476 0.1321504), wk = 0.0031056 k( 76) = ( 0.0000000 0.7728476 0.1486693), wk = 0.0031056 k( 77) = ( 0.0000000 0.7728476 0.1651881), wk = 0.0031056 k( 78) = ( 0.0000000 0.7728476 0.1817069), wk = 0.0031056 k( 79) = ( 0.0000000 0.7728476 0.1982257), wk = 0.0031056 k( 80) = ( 0.0000000 0.7728476 0.1982257), wk = 0.0031056 k( 81) = ( 0.0166873 0.7728476 0.1982257), wk = 0.0031056 k( 82) = ( 0.0333746 0.7728476 0.1982257), wk = 0.0031056 k( 83) = ( 0.0500618 0.7728476 0.1982257), wk = 0.0031056 k( 84) = ( 0.0667491 0.7728476 0.1982257), wk = 0.0031056 k( 85) = ( 0.0834364 0.7728476 0.1982257), wk = 0.0031056 k( 86) = ( 0.1001237 0.7728476 0.1982257), wk = 0.0031056 k( 87) = ( 0.1168110 0.7728476 0.1982257), wk = 0.0031056 k( 88) = ( 0.1334983 0.7728476 0.1982257), wk = 0.0031056 k( 89) = ( 0.1501856 0.7728476 0.1982257), wk = 0.0031056 k( 90) = ( 0.1668728 0.7728476 0.1982257), wk = 0.0031056 k( 91) = ( 0.1835601 0.7728476 0.1982257), wk = 0.0031056 k( 92) = ( 0.2002474 0.7728476 0.1982257), wk = 0.0031056 k( 93) = ( 0.2169347 0.7728476 0.1982257), wk = 0.0031056 k( 94) = ( 0.2336220 0.7728476 0.1982257), wk = 0.0031056 k( 95) = ( 0.2503093 0.7728476 0.1982257), wk = 0.0031056 k( 96) = ( 0.2669965 0.7728476 0.1982257), wk = 0.0031056 k( 97) = ( 0.2836838 0.7728476 0.1982257), wk = 0.0031056 k( 98) = ( 0.2836838 0.7728476 0.1982257), wk = 0.0031056 k( 99) = ( 0.2776480 0.7564040 0.1982257), wk = 0.0031056 k( 100) = ( 0.2716122 0.7399604 0.1982257), wk = 0.0031056 k( 101) = ( 0.2655764 0.7235169 0.1982257), wk = 0.0031056 k( 102) = ( 0.2595405 0.7070733 0.1982257), wk = 0.0031056 k( 103) = ( 0.2535047 0.6906297 0.1982257), wk = 0.0031056 k( 104) = ( 0.2474689 0.6741862 0.1982257), wk = 0.0031056 k( 105) = ( 0.2414331 0.6577426 0.1982257), wk = 0.0031056 k( 106) = ( 0.2353972 0.6412990 0.1982257), wk = 0.0031056 k( 107) = ( 0.2293614 0.6248555 0.1982257), wk = 0.0031056 k( 108) = ( 0.2233256 0.6084119 0.1982257), wk = 0.0031056 k( 109) = ( 0.2172897 0.5919683 0.1982257), wk = 0.0031056 k( 110) = ( 0.2112539 0.5755248 0.1982257), wk = 0.0031056 k( 111) = ( 0.2052181 0.5590812 0.1982257), wk = 0.0031056 k( 112) = ( 0.1991823 0.5426376 0.1982257), wk = 0.0031056 k( 113) = ( 0.1931464 0.5261941 0.1982257), wk = 0.0031056 k( 114) = ( 0.1871106 0.5097505 0.1982257), wk = 0.0031056 k( 115) = ( 0.1810748 0.4933070 0.1982257), wk = 0.0031056 k( 116) = ( 0.1750390 0.4768634 0.1982257), wk = 0.0031056 k( 117) = ( 0.1690031 0.4604198 0.1982257), wk = 0.0031056 k( 118) = ( 0.1629673 0.4439763 0.1982257), wk = 0.0031056 k( 119) = ( 0.1569315 0.4275327 0.1982257), wk = 0.0031056 k( 120) = ( 0.1508957 0.4110891 0.1982257), wk = 0.0031056 k( 121) = ( 0.1448598 0.3946456 0.1982257), wk = 0.0031056 k( 122) = ( 0.1388240 0.3782020 0.1982257), wk = 0.0031056 k( 123) = ( 0.1327882 0.3617584 0.1982257), wk = 0.0031056 k( 124) = ( 0.1267524 0.3453149 0.1982257), wk = 0.0031056 k( 125) = ( 0.1207165 0.3288713 0.1982257), wk = 0.0031056 k( 126) = ( 0.1146807 0.3124277 0.1982257), wk = 0.0031056 k( 127) = ( 0.1086449 0.2959842 0.1982257), wk = 0.0031056 k( 128) = ( 0.1026090 0.2795406 0.1982257), wk = 0.0031056 k( 129) = ( 0.0965732 0.2630970 0.1982257), wk = 0.0031056 k( 130) = ( 0.0905374 0.2466535 0.1982257), wk = 0.0031056 k( 131) = ( 0.0845016 0.2302099 0.1982257), wk = 0.0031056 k( 132) = ( 0.0784657 0.2137663 0.1982257), wk = 0.0031056 k( 133) = ( 0.0724299 0.1973228 0.1982257), wk = 0.0031056 k( 134) = ( 0.0663941 0.1808792 0.1982257), wk = 0.0031056 k( 135) = ( 0.0603583 0.1644356 0.1982257), wk = 0.0031056 k( 136) = ( 0.0543224 0.1479921 0.1982257), wk = 0.0031056 k( 137) = ( 0.0482866 0.1315485 0.1982257), wk = 0.0031056 k( 138) = ( 0.0422508 0.1151049 0.1982257), wk = 0.0031056 k( 139) = ( 0.0362150 0.0986614 0.1982257), wk = 0.0031056 k( 140) = ( 0.0301791 0.0822178 0.1982257), wk = 0.0031056 k( 141) = ( 0.0241433 0.0657742 0.1982257), wk = 0.0031056 k( 142) = ( 0.0181075 0.0493307 0.1982257), wk = 0.0031056 k( 143) = ( 0.0120716 0.0328871 0.1982257), wk = 0.0031056 k( 144) = ( 0.0060358 0.0164436 0.1982257), wk = 0.0031056 k( 145) = ( 0.0000000 0.0000000 0.1982257), wk = 0.0031056 k( 146) = ( 0.0000000 0.0000000 0.1982257), wk = 0.0031056 k( 147) = ( 0.0000000 0.0000000 0.1817069), wk = 0.0031056 k( 148) = ( 0.0000000 0.0000000 0.1651881), wk = 0.0031056 k( 149) = ( 0.0000000 0.0000000 0.1486693), wk = 0.0031056 k( 150) = ( 0.0000000 0.0000000 0.1321504), wk = 0.0031056 k( 151) = ( 0.0000000 0.0000000 0.1156316), wk = 0.0031056 k( 152) = ( 0.0000000 0.0000000 0.0991128), wk = 0.0031056 k( 153) = ( 0.0000000 0.0000000 0.0825940), wk = 0.0031056 k( 154) = ( 0.0000000 0.0000000 0.0660752), wk = 0.0031056 k( 155) = ( 0.0000000 0.0000000 0.0495564), wk = 0.0031056 k( 156) = ( 0.0000000 0.0000000 0.0330376), wk = 0.0031056 k( 157) = ( 0.0000000 0.0000000 0.0165188), wk = 0.0031056 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 160) = ( -0.0161290 0.0059204 0.0000000), wk = 0.0031056 k( 161) = ( -0.0322581 0.0118407 0.0000000), wk = 0.0031056 k( 162) = ( -0.0483871 0.0177611 0.0000000), wk = 0.0031056 k( 163) = ( -0.0645161 0.0236815 0.0000000), wk = 0.0031056 k( 164) = ( -0.0806452 0.0296019 0.0000000), wk = 0.0031056 k( 165) = ( -0.0967742 0.0355222 0.0000000), wk = 0.0031056 k( 166) = ( -0.1129032 0.0414426 0.0000000), wk = 0.0031056 k( 167) = ( -0.1290323 0.0473630 0.0000000), wk = 0.0031056 k( 168) = ( -0.1451613 0.0532834 0.0000000), wk = 0.0031056 k( 169) = ( -0.1612903 0.0592037 0.0000000), wk = 0.0031056 k( 170) = ( -0.1774194 0.0651241 0.0000000), wk = 0.0031056 k( 171) = ( -0.1935484 0.0710445 0.0000000), wk = 0.0031056 k( 172) = ( -0.2096774 0.0769648 0.0000000), wk = 0.0031056 k( 173) = ( -0.2258064 0.0828852 0.0000000), wk = 0.0031056 k( 174) = ( -0.2419355 0.0888056 0.0000000), wk = 0.0031056 k( 175) = ( -0.2580645 0.0947260 0.0000000), wk = 0.0031056 k( 176) = ( -0.2741936 0.1006463 0.0000000), wk = 0.0031056 k( 177) = ( -0.2903226 0.1065667 0.0000000), wk = 0.0031056 k( 178) = ( -0.3064516 0.1124871 0.0000000), wk = 0.0031056 k( 179) = ( -0.3225807 0.1184075 0.0000000), wk = 0.0031056 k( 180) = ( -0.3387097 0.1243278 0.0000000), wk = 0.0031056 k( 181) = ( -0.3548387 0.1302482 0.0000000), wk = 0.0031056 k( 182) = ( -0.3709677 0.1361686 0.0000000), wk = 0.0031056 k( 183) = ( -0.3870968 0.1420889 0.0000000), wk = 0.0031056 k( 184) = ( -0.4032258 0.1480093 0.0000000), wk = 0.0031056 k( 185) = ( -0.4193548 0.1539297 0.0000000), wk = 0.0031056 k( 186) = ( -0.4354839 0.1598501 0.0000000), wk = 0.0031056 k( 187) = ( -0.4516129 0.1657704 0.0000000), wk = 0.0031056 k( 188) = ( -0.4677419 0.1716908 0.0000000), wk = 0.0031056 k( 189) = ( -0.4838710 0.1776112 0.0000000), wk = 0.0031056 k( 190) = ( -0.5000000 0.1835316 0.0000000), wk = 0.0031056 k( 191) = ( -0.5000000 0.1835316 0.0000000), wk = 0.0031056 k( 192) = ( -0.4939912 0.1999014 -0.0000000), wk = 0.0031056 k( 193) = ( -0.4879824 0.2162713 -0.0000000), wk = 0.0031056 k( 194) = ( -0.4819736 0.2326412 -0.0000000), wk = 0.0031056 k( 195) = ( -0.4759649 0.2490111 -0.0000000), wk = 0.0031056 k( 196) = ( -0.4699561 0.2653810 -0.0000000), wk = 0.0031056 k( 197) = ( -0.4639473 0.2817509 -0.0000000), wk = 0.0031056 k( 198) = ( -0.4579385 0.2981208 -0.0000000), wk = 0.0031056 k( 199) = ( -0.4519297 0.3144907 -0.0000000), wk = 0.0031056 k( 200) = ( -0.4459210 0.3308606 -0.0000000), wk = 0.0031056 k( 201) = ( -0.4399122 0.3472304 -0.0000000), wk = 0.0031056 k( 202) = ( -0.4339034 0.3636003 -0.0000000), wk = 0.0031056 k( 203) = ( -0.4278946 0.3799702 -0.0000000), wk = 0.0031056 k( 204) = ( -0.4218858 0.3963401 -0.0000000), wk = 0.0031056 k( 205) = ( -0.4158771 0.4127100 -0.0000000), wk = 0.0031056 k( 206) = ( -0.4098683 0.4290799 -0.0000000), wk = 0.0031056 k( 207) = ( -0.4038595 0.4454498 -0.0000000), wk = 0.0031056 k( 208) = ( -0.3978507 0.4618197 -0.0000000), wk = 0.0031056 k( 209) = ( -0.3918419 0.4781895 -0.0000000), wk = 0.0031056 k( 210) = ( -0.3858331 0.4945595 -0.0000000), wk = 0.0031056 k( 211) = ( -0.3798243 0.5109293 -0.0000000), wk = 0.0031056 k( 212) = ( -0.3738156 0.5272992 -0.0000000), wk = 0.0031056 k( 213) = ( -0.3678068 0.5436691 -0.0000000), wk = 0.0031056 k( 214) = ( -0.3617980 0.5600390 -0.0000000), wk = 0.0031056 k( 215) = ( -0.3557892 0.5764089 -0.0000000), wk = 0.0031056 k( 216) = ( -0.3497804 0.5927788 -0.0000000), wk = 0.0031056 k( 217) = ( -0.3437717 0.6091487 -0.0000000), wk = 0.0031056 k( 218) = ( -0.3377629 0.6255186 -0.0000000), wk = 0.0031056 k( 219) = ( -0.3317541 0.6418885 -0.0000000), wk = 0.0031056 k( 220) = ( -0.3257453 0.6582583 -0.0000000), wk = 0.0031056 k( 221) = ( -0.3197365 0.6746282 -0.0000000), wk = 0.0031056 k( 222) = ( -0.3137277 0.6909981 -0.0000000), wk = 0.0031056 k( 223) = ( -0.3077190 0.7073680 -0.0000000), wk = 0.0031056 k( 224) = ( -0.3017102 0.7237379 -0.0000000), wk = 0.0031056 k( 225) = ( -0.2957014 0.7401078 -0.0000000), wk = 0.0031056 k( 226) = ( -0.2896926 0.7564777 -0.0000000), wk = 0.0031056 k( 227) = ( -0.2836838 0.7728476 -0.0000000), wk = 0.0031056 k( 228) = ( -0.2836838 0.7728476 -0.0000000), wk = 0.0031056 k( 229) = ( -0.2836838 0.7728476 0.0165188), wk = 0.0031056 k( 230) = ( -0.2836838 0.7728476 0.0330376), wk = 0.0031056 k( 231) = ( -0.2836838 0.7728476 0.0495564), wk = 0.0031056 k( 232) = ( -0.2836838 0.7728476 0.0660752), wk = 0.0031056 k( 233) = ( -0.2836838 0.7728476 0.0825940), wk = 0.0031056 k( 234) = ( -0.2836838 0.7728476 0.0991128), wk = 0.0031056 k( 235) = ( -0.2836838 0.7728476 0.1156316), wk = 0.0031056 k( 236) = ( -0.2836838 0.7728476 0.1321504), wk = 0.0031056 k( 237) = ( -0.2836838 0.7728476 0.1486693), wk = 0.0031056 k( 238) = ( -0.2836838 0.7728476 0.1651881), wk = 0.0031056 k( 239) = ( -0.2836838 0.7728476 0.1817069), wk = 0.0031056 k( 240) = ( -0.2836838 0.7728476 0.1982257), wk = 0.0031056 k( 241) = ( -0.2836838 0.7728476 0.1982257), wk = 0.0031056 k( 242) = ( -0.2896926 0.7564777 0.1982257), wk = 0.0031056 k( 243) = ( -0.2957014 0.7401078 0.1982257), wk = 0.0031056 k( 244) = ( -0.3017102 0.7237379 0.1982257), wk = 0.0031056 k( 245) = ( -0.3077190 0.7073680 0.1982257), wk = 0.0031056 k( 246) = ( -0.3137277 0.6909981 0.1982257), wk = 0.0031056 k( 247) = ( -0.3197365 0.6746282 0.1982257), wk = 0.0031056 k( 248) = ( -0.3257453 0.6582583 0.1982257), wk = 0.0031056 k( 249) = ( -0.3317541 0.6418885 0.1982257), wk = 0.0031056 k( 250) = ( -0.3377629 0.6255186 0.1982257), wk = 0.0031056 k( 251) = ( -0.3437717 0.6091487 0.1982257), wk = 0.0031056 k( 252) = ( -0.3497804 0.5927788 0.1982257), wk = 0.0031056 k( 253) = ( -0.3557892 0.5764089 0.1982257), wk = 0.0031056 k( 254) = ( -0.3617980 0.5600390 0.1982257), wk = 0.0031056 k( 255) = ( -0.3678068 0.5436691 0.1982257), wk = 0.0031056 k( 256) = ( -0.3738156 0.5272992 0.1982257), wk = 0.0031056 k( 257) = ( -0.3798243 0.5109293 0.1982257), wk = 0.0031056 k( 258) = ( -0.3858331 0.4945595 0.1982257), wk = 0.0031056 k( 259) = ( -0.3918419 0.4781895 0.1982257), wk = 0.0031056 k( 260) = ( -0.3978507 0.4618197 0.1982257), wk = 0.0031056 k( 261) = ( -0.4038595 0.4454498 0.1982257), wk = 0.0031056 k( 262) = ( -0.4098683 0.4290799 0.1982257), wk = 0.0031056 k( 263) = ( -0.4158771 0.4127100 0.1982257), wk = 0.0031056 k( 264) = ( -0.4218858 0.3963401 0.1982257), wk = 0.0031056 k( 265) = ( -0.4278946 0.3799702 0.1982257), wk = 0.0031056 k( 266) = ( -0.4339034 0.3636003 0.1982257), wk = 0.0031056 k( 267) = ( -0.4399122 0.3472304 0.1982257), wk = 0.0031056 k( 268) = ( -0.4459210 0.3308606 0.1982257), wk = 0.0031056 k( 269) = ( -0.4519297 0.3144907 0.1982257), wk = 0.0031056 k( 270) = ( -0.4579385 0.2981208 0.1982257), wk = 0.0031056 k( 271) = ( -0.4639473 0.2817509 0.1982257), wk = 0.0031056 k( 272) = ( -0.4699561 0.2653810 0.1982257), wk = 0.0031056 k( 273) = ( -0.4759649 0.2490111 0.1982257), wk = 0.0031056 k( 274) = ( -0.4819736 0.2326412 0.1982257), wk = 0.0031056 k( 275) = ( -0.4879824 0.2162713 0.1982257), wk = 0.0031056 k( 276) = ( -0.4939912 0.1999014 0.1982257), wk = 0.0031056 k( 277) = ( -0.5000000 0.1835316 0.1982257), wk = 0.0031056 k( 278) = ( -0.5000000 0.1835316 0.1982257), wk = 0.0031056 k( 279) = ( -0.5000000 0.1835316 0.1817069), wk = 0.0031056 k( 280) = ( -0.5000000 0.1835316 0.1651881), wk = 0.0031056 k( 281) = ( -0.5000000 0.1835316 0.1486693), wk = 0.0031056 k( 282) = ( -0.5000000 0.1835316 0.1321504), wk = 0.0031056 k( 283) = ( -0.5000000 0.1835316 0.1156316), wk = 0.0031056 k( 284) = ( -0.5000000 0.1835316 0.0991128), wk = 0.0031056 k( 285) = ( -0.5000000 0.1835316 0.0825940), wk = 0.0031056 k( 286) = ( -0.5000000 0.1835316 0.0660752), wk = 0.0031056 k( 287) = ( -0.5000000 0.1835316 0.0495564), wk = 0.0031056 k( 288) = ( -0.5000000 0.1835316 0.0330376), wk = 0.0031056 k( 289) = ( -0.5000000 0.1835316 0.0165188), wk = 0.0031056 k( 290) = ( -0.5000000 0.1835316 0.0000000), wk = 0.0031056 k( 291) = ( 0.0000000 0.0000000 0.1982257), wk = 0.0031056 k( 292) = ( -0.0161290 0.0059204 0.1982257), wk = 0.0031056 k( 293) = ( -0.0322581 0.0118407 0.1982257), wk = 0.0031056 k( 294) = ( -0.0483871 0.0177611 0.1982257), wk = 0.0031056 k( 295) = ( -0.0645161 0.0236815 0.1982257), wk = 0.0031056 k( 296) = ( -0.0806452 0.0296019 0.1982257), wk = 0.0031056 k( 297) = ( -0.0967742 0.0355222 0.1982257), wk = 0.0031056 k( 298) = ( -0.1129032 0.0414426 0.1982257), wk = 0.0031056 k( 299) = ( -0.1290323 0.0473630 0.1982257), wk = 0.0031056 k( 300) = ( -0.1451613 0.0532834 0.1982257), wk = 0.0031056 k( 301) = ( -0.1612903 0.0592037 0.1982257), wk = 0.0031056 k( 302) = ( -0.1774194 0.0651241 0.1982257), wk = 0.0031056 k( 303) = ( -0.1935484 0.0710445 0.1982257), wk = 0.0031056 k( 304) = ( -0.2096774 0.0769648 0.1982257), wk = 0.0031056 k( 305) = ( -0.2258064 0.0828852 0.1982257), wk = 0.0031056 k( 306) = ( -0.2419355 0.0888056 0.1982257), wk = 0.0031056 k( 307) = ( -0.2580645 0.0947260 0.1982257), wk = 0.0031056 k( 308) = ( -0.2741936 0.1006463 0.1982257), wk = 0.0031056 k( 309) = ( -0.2903226 0.1065667 0.1982257), wk = 0.0031056 k( 310) = ( -0.3064516 0.1124871 0.1982257), wk = 0.0031056 k( 311) = ( -0.3225807 0.1184075 0.1982257), wk = 0.0031056 k( 312) = ( -0.3387097 0.1243278 0.1982257), wk = 0.0031056 k( 313) = ( -0.3548387 0.1302482 0.1982257), wk = 0.0031056 k( 314) = ( -0.3709677 0.1361686 0.1982257), wk = 0.0031056 k( 315) = ( -0.3870968 0.1420889 0.1982257), wk = 0.0031056 k( 316) = ( -0.4032258 0.1480093 0.1982257), wk = 0.0031056 k( 317) = ( -0.4193548 0.1539297 0.1982257), wk = 0.0031056 k( 318) = ( -0.4354839 0.1598501 0.1982257), wk = 0.0031056 k( 319) = ( -0.4516129 0.1657704 0.1982257), wk = 0.0031056 k( 320) = ( -0.4677419 0.1716908 0.1982257), wk = 0.0031056 k( 321) = ( -0.4838710 0.1776112 0.1982257), wk = 0.0031056 k( 322) = ( -0.5000000 0.1835316 0.1982257), wk = 0.0031056 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 2) = ( 0.0060358 0.0060358 -0.0000000), wk = 0.0031056 k( 3) = ( 0.0120716 0.0120716 -0.0000000), wk = 0.0031056 k( 4) = ( 0.0181075 0.0181075 0.0000000), wk = 0.0031056 k( 5) = ( 0.0241433 0.0241433 -0.0000000), wk = 0.0031056 k( 6) = ( 0.0301791 0.0301791 -0.0000000), wk = 0.0031056 k( 7) = ( 0.0362150 0.0362150 0.0000000), wk = 0.0031056 k( 8) = ( 0.0422508 0.0422508 0.0000000), wk = 0.0031056 k( 9) = ( 0.0482866 0.0482866 0.0000000), wk = 0.0031056 k( 10) = ( 0.0543224 0.0543224 0.0000000), wk = 0.0031056 k( 11) = ( 0.0603583 0.0603583 -0.0000000), wk = 0.0031056 k( 12) = ( 0.0663941 0.0663941 0.0000000), wk = 0.0031056 k( 13) = ( 0.0724299 0.0724299 0.0000000), wk = 0.0031056 k( 14) = ( 0.0784657 0.0784657 0.0000000), wk = 0.0031056 k( 15) = ( 0.0845016 0.0845016 0.0000000), wk = 0.0031056 k( 16) = ( 0.0905374 0.0905374 0.0000000), wk = 0.0031056 k( 17) = ( 0.0965732 0.0965732 0.0000000), wk = 0.0031056 k( 18) = ( 0.1026090 0.1026091 -0.0000000), wk = 0.0031056 k( 19) = ( 0.1086449 0.1086449 -0.0000000), wk = 0.0031056 k( 20) = ( 0.1146807 0.1146807 -0.0000000), wk = 0.0031056 k( 21) = ( 0.1207165 0.1207165 -0.0000000), wk = 0.0031056 k( 22) = ( 0.1267524 0.1267523 -0.0000000), wk = 0.0031056 k( 23) = ( 0.1327882 0.1327882 0.0000000), wk = 0.0031056 k( 24) = ( 0.1388240 0.1388240 0.0000000), wk = 0.0031056 k( 25) = ( 0.1448598 0.1448598 0.0000000), wk = 0.0031056 k( 26) = ( 0.1508957 0.1508957 0.0000000), wk = 0.0031056 k( 27) = ( 0.1569315 0.1569315 0.0000000), wk = 0.0031056 k( 28) = ( 0.1629673 0.1629673 0.0000000), wk = 0.0031056 k( 29) = ( 0.1690031 0.1690031 0.0000000), wk = 0.0031056 k( 30) = ( 0.1750390 0.1750390 -0.0000000), wk = 0.0031056 k( 31) = ( 0.1810748 0.1810748 0.0000000), wk = 0.0031056 k( 32) = ( 0.1871106 0.1871106 -0.0000000), wk = 0.0031056 k( 33) = ( 0.1931464 0.1931464 0.0000000), wk = 0.0031056 k( 34) = ( 0.1991823 0.1991823 -0.0000000), wk = 0.0031056 k( 35) = ( 0.2052181 0.2052181 -0.0000000), wk = 0.0031056 k( 36) = ( 0.2112539 0.2112539 0.0000000), wk = 0.0031056 k( 37) = ( 0.2172897 0.2172897 -0.0000000), wk = 0.0031056 k( 38) = ( 0.2233256 0.2233256 -0.0000000), wk = 0.0031056 k( 39) = ( 0.2293614 0.2293614 -0.0000000), wk = 0.0031056 k( 40) = ( 0.2353972 0.2353972 0.0000000), wk = 0.0031056 k( 41) = ( 0.2414331 0.2414331 0.0000000), wk = 0.0031056 k( 42) = ( 0.2474689 0.2474689 0.0000000), wk = 0.0031056 k( 43) = ( 0.2535047 0.2535047 -0.0000000), wk = 0.0031056 k( 44) = ( 0.2595405 0.2595405 0.0000000), wk = 0.0031056 k( 45) = ( 0.2655764 0.2655764 -0.0000000), wk = 0.0031056 k( 46) = ( 0.2716122 0.2716122 0.0000000), wk = 0.0031056 k( 47) = ( 0.2776480 0.2776480 0.0000000), wk = 0.0031056 k( 48) = ( 0.2836838 0.2836838 0.0000000), wk = 0.0031056 k( 49) = ( 0.2836838 0.2836838 0.0000000), wk = 0.0031056 k( 50) = ( 0.2669965 0.2964083 0.0000000), wk = 0.0031056 k( 51) = ( 0.2503093 0.3091328 0.0000000), wk = 0.0031056 k( 52) = ( 0.2336220 0.3218573 0.0000000), wk = 0.0031056 k( 53) = ( 0.2169347 0.3345817 -0.0000000), wk = 0.0031056 k( 54) = ( 0.2002474 0.3473062 -0.0000000), wk = 0.0031056 k( 55) = ( 0.1835601 0.3600307 -0.0000000), wk = 0.0031056 k( 56) = ( 0.1668728 0.3727552 0.0000000), wk = 0.0031056 k( 57) = ( 0.1501856 0.3854797 0.0000000), wk = 0.0031056 k( 58) = ( 0.1334983 0.3982042 -0.0000000), wk = 0.0031056 k( 59) = ( 0.1168110 0.4109286 0.0000000), wk = 0.0031056 k( 60) = ( 0.1001237 0.4236531 0.0000000), wk = 0.0031056 k( 61) = ( 0.0834364 0.4363776 -0.0000000), wk = 0.0031056 k( 62) = ( 0.0667491 0.4491021 0.0000000), wk = 0.0031056 k( 63) = ( 0.0500618 0.4618266 0.0000000), wk = 0.0031056 k( 64) = ( 0.0333746 0.4745510 0.0000000), wk = 0.0031056 k( 65) = ( 0.0166873 0.4872755 -0.0000000), wk = 0.0031056 k( 66) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031056 k( 67) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031056 k( 68) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0031056 k( 69) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0031056 k( 70) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0031056 k( 71) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0031056 k( 72) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0031056 k( 73) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0031056 k( 74) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0031056 k( 75) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0031056 k( 76) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0031056 k( 77) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0031056 k( 78) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0031056 k( 79) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031056 k( 80) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031056 k( 81) = ( 0.0166873 0.4872755 0.5000000), wk = 0.0031056 k( 82) = ( 0.0333746 0.4745510 0.5000000), wk = 0.0031056 k( 83) = ( 0.0500618 0.4618266 0.5000000), wk = 0.0031056 k( 84) = ( 0.0667491 0.4491021 0.5000000), wk = 0.0031056 k( 85) = ( 0.0834364 0.4363776 0.5000000), wk = 0.0031056 k( 86) = ( 0.1001237 0.4236531 0.5000000), wk = 0.0031056 k( 87) = ( 0.1168110 0.4109286 0.5000000), wk = 0.0031056 k( 88) = ( 0.1334983 0.3982042 0.5000000), wk = 0.0031056 k( 89) = ( 0.1501856 0.3854797 0.5000000), wk = 0.0031056 k( 90) = ( 0.1668728 0.3727552 0.5000000), wk = 0.0031056 k( 91) = ( 0.1835601 0.3600307 0.5000000), wk = 0.0031056 k( 92) = ( 0.2002474 0.3473062 0.5000000), wk = 0.0031056 k( 93) = ( 0.2169347 0.3345817 0.5000000), wk = 0.0031056 k( 94) = ( 0.2336220 0.3218573 0.5000000), wk = 0.0031056 k( 95) = ( 0.2503093 0.3091328 0.5000000), wk = 0.0031056 k( 96) = ( 0.2669965 0.2964083 0.5000000), wk = 0.0031056 k( 97) = ( 0.2836838 0.2836838 0.5000000), wk = 0.0031056 k( 98) = ( 0.2836838 0.2836838 0.5000000), wk = 0.0031056 k( 99) = ( 0.2776480 0.2776480 0.5000000), wk = 0.0031056 k( 100) = ( 0.2716122 0.2716122 0.5000000), wk = 0.0031056 k( 101) = ( 0.2655764 0.2655764 0.5000000), wk = 0.0031056 k( 102) = ( 0.2595405 0.2595405 0.5000000), wk = 0.0031056 k( 103) = ( 0.2535047 0.2535047 0.5000000), wk = 0.0031056 k( 104) = ( 0.2474689 0.2474689 0.5000000), wk = 0.0031056 k( 105) = ( 0.2414331 0.2414331 0.5000000), wk = 0.0031056 k( 106) = ( 0.2353972 0.2353972 0.5000000), wk = 0.0031056 k( 107) = ( 0.2293614 0.2293614 0.5000000), wk = 0.0031056 k( 108) = ( 0.2233256 0.2233256 0.5000000), wk = 0.0031056 k( 109) = ( 0.2172897 0.2172897 0.5000000), wk = 0.0031056 k( 110) = ( 0.2112539 0.2112539 0.5000000), wk = 0.0031056 k( 111) = ( 0.2052181 0.2052181 0.5000000), wk = 0.0031056 k( 112) = ( 0.1991823 0.1991823 0.5000000), wk = 0.0031056 k( 113) = ( 0.1931464 0.1931464 0.5000000), wk = 0.0031056 k( 114) = ( 0.1871106 0.1871106 0.5000000), wk = 0.0031056 k( 115) = ( 0.1810748 0.1810748 0.5000000), wk = 0.0031056 k( 116) = ( 0.1750390 0.1750390 0.5000000), wk = 0.0031056 k( 117) = ( 0.1690031 0.1690031 0.5000000), wk = 0.0031056 k( 118) = ( 0.1629673 0.1629673 0.5000000), wk = 0.0031056 k( 119) = ( 0.1569315 0.1569315 0.5000000), wk = 0.0031056 k( 120) = ( 0.1508957 0.1508957 0.5000000), wk = 0.0031056 k( 121) = ( 0.1448598 0.1448598 0.5000000), wk = 0.0031056 k( 122) = ( 0.1388240 0.1388240 0.5000000), wk = 0.0031056 k( 123) = ( 0.1327882 0.1327882 0.5000000), wk = 0.0031056 k( 124) = ( 0.1267524 0.1267523 0.5000000), wk = 0.0031056 k( 125) = ( 0.1207165 0.1207165 0.5000000), wk = 0.0031056 k( 126) = ( 0.1146807 0.1146807 0.5000000), wk = 0.0031056 k( 127) = ( 0.1086449 0.1086449 0.5000000), wk = 0.0031056 k( 128) = ( 0.1026090 0.1026091 0.5000000), wk = 0.0031056 k( 129) = ( 0.0965732 0.0965732 0.5000000), wk = 0.0031056 k( 130) = ( 0.0905374 0.0905374 0.5000000), wk = 0.0031056 k( 131) = ( 0.0845016 0.0845016 0.5000000), wk = 0.0031056 k( 132) = ( 0.0784657 0.0784657 0.5000000), wk = 0.0031056 k( 133) = ( 0.0724299 0.0724299 0.5000000), wk = 0.0031056 k( 134) = ( 0.0663941 0.0663941 0.5000000), wk = 0.0031056 k( 135) = ( 0.0603583 0.0603583 0.5000000), wk = 0.0031056 k( 136) = ( 0.0543224 0.0543224 0.5000000), wk = 0.0031056 k( 137) = ( 0.0482866 0.0482866 0.5000000), wk = 0.0031056 k( 138) = ( 0.0422508 0.0422508 0.5000000), wk = 0.0031056 k( 139) = ( 0.0362150 0.0362150 0.5000000), wk = 0.0031056 k( 140) = ( 0.0301791 0.0301791 0.5000000), wk = 0.0031056 k( 141) = ( 0.0241433 0.0241433 0.5000000), wk = 0.0031056 k( 142) = ( 0.0181075 0.0181075 0.5000000), wk = 0.0031056 k( 143) = ( 0.0120716 0.0120716 0.5000000), wk = 0.0031056 k( 144) = ( 0.0060358 0.0060358 0.5000000), wk = 0.0031056 k( 145) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031056 k( 146) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031056 k( 147) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0031056 k( 148) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0031056 k( 149) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0031056 k( 150) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0031056 k( 151) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0031056 k( 152) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0031056 k( 153) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0031056 k( 154) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0031056 k( 155) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0031056 k( 156) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0031056 k( 157) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0031056 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 160) = ( -0.0161290 0.0161290 0.0000000), wk = 0.0031056 k( 161) = ( -0.0322581 0.0322581 0.0000000), wk = 0.0031056 k( 162) = ( -0.0483871 0.0483871 0.0000000), wk = 0.0031056 k( 163) = ( -0.0645161 0.0645161 0.0000000), wk = 0.0031056 k( 164) = ( -0.0806452 0.0806452 -0.0000000), wk = 0.0031056 k( 165) = ( -0.0967742 0.0967742 0.0000000), wk = 0.0031056 k( 166) = ( -0.1129032 0.1129032 -0.0000000), wk = 0.0031056 k( 167) = ( -0.1290323 0.1290323 0.0000000), wk = 0.0031056 k( 168) = ( -0.1451613 0.1451613 0.0000000), wk = 0.0031056 k( 169) = ( -0.1612903 0.1612903 -0.0000000), wk = 0.0031056 k( 170) = ( -0.1774194 0.1774194 0.0000000), wk = 0.0031056 k( 171) = ( -0.1935484 0.1935484 0.0000000), wk = 0.0031056 k( 172) = ( -0.2096774 0.2096774 0.0000000), wk = 0.0031056 k( 173) = ( -0.2258064 0.2258065 0.0000000), wk = 0.0031056 k( 174) = ( -0.2419355 0.2419355 0.0000000), wk = 0.0031056 k( 175) = ( -0.2580645 0.2580645 0.0000000), wk = 0.0031056 k( 176) = ( -0.2741936 0.2741936 0.0000000), wk = 0.0031056 k( 177) = ( -0.2903226 0.2903226 0.0000000), wk = 0.0031056 k( 178) = ( -0.3064516 0.3064516 0.0000000), wk = 0.0031056 k( 179) = ( -0.3225807 0.3225807 0.0000000), wk = 0.0031056 k( 180) = ( -0.3387097 0.3387097 0.0000000), wk = 0.0031056 k( 181) = ( -0.3548387 0.3548387 0.0000000), wk = 0.0031056 k( 182) = ( -0.3709677 0.3709677 0.0000000), wk = 0.0031056 k( 183) = ( -0.3870968 0.3870968 -0.0000000), wk = 0.0031056 k( 184) = ( -0.4032258 0.4032258 -0.0000000), wk = 0.0031056 k( 185) = ( -0.4193548 0.4193548 0.0000000), wk = 0.0031056 k( 186) = ( -0.4354839 0.4354839 0.0000000), wk = 0.0031056 k( 187) = ( -0.4516129 0.4516129 0.0000000), wk = 0.0031056 k( 188) = ( -0.4677419 0.4677419 0.0000000), wk = 0.0031056 k( 189) = ( -0.4838710 0.4838710 0.0000000), wk = 0.0031056 k( 190) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0031056 k( 191) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0031056 k( 192) = ( -0.4939912 0.5060088 -0.0000000), wk = 0.0031056 k( 193) = ( -0.4879824 0.5120176 0.0000000), wk = 0.0031056 k( 194) = ( -0.4819736 0.5180263 -0.0000000), wk = 0.0031056 k( 195) = ( -0.4759649 0.5240351 -0.0000000), wk = 0.0031056 k( 196) = ( -0.4699561 0.5300439 0.0000000), wk = 0.0031056 k( 197) = ( -0.4639473 0.5360527 0.0000000), wk = 0.0031056 k( 198) = ( -0.4579385 0.5420615 0.0000000), wk = 0.0031056 k( 199) = ( -0.4519297 0.5480703 -0.0000000), wk = 0.0031056 k( 200) = ( -0.4459210 0.5540790 0.0000000), wk = 0.0031056 k( 201) = ( -0.4399122 0.5600878 0.0000000), wk = 0.0031056 k( 202) = ( -0.4339034 0.5660966 0.0000000), wk = 0.0031056 k( 203) = ( -0.4278946 0.5721054 0.0000000), wk = 0.0031056 k( 204) = ( -0.4218858 0.5781142 -0.0000000), wk = 0.0031056 k( 205) = ( -0.4158771 0.5841230 -0.0000000), wk = 0.0031056 k( 206) = ( -0.4098683 0.5901317 0.0000000), wk = 0.0031056 k( 207) = ( -0.4038595 0.5961405 0.0000000), wk = 0.0031056 k( 208) = ( -0.3978507 0.6021493 -0.0000000), wk = 0.0031056 k( 209) = ( -0.3918419 0.6081581 0.0000000), wk = 0.0031056 k( 210) = ( -0.3858331 0.6141669 -0.0000000), wk = 0.0031056 k( 211) = ( -0.3798243 0.6201756 -0.0000000), wk = 0.0031056 k( 212) = ( -0.3738156 0.6261844 0.0000000), wk = 0.0031056 k( 213) = ( -0.3678068 0.6321932 -0.0000000), wk = 0.0031056 k( 214) = ( -0.3617980 0.6382020 -0.0000000), wk = 0.0031056 k( 215) = ( -0.3557892 0.6442108 0.0000000), wk = 0.0031056 k( 216) = ( -0.3497804 0.6502196 -0.0000000), wk = 0.0031056 k( 217) = ( -0.3437717 0.6562283 0.0000000), wk = 0.0031056 k( 218) = ( -0.3377629 0.6622371 0.0000000), wk = 0.0031056 k( 219) = ( -0.3317541 0.6682459 -0.0000000), wk = 0.0031056 k( 220) = ( -0.3257453 0.6742547 -0.0000000), wk = 0.0031056 k( 221) = ( -0.3197365 0.6802635 0.0000000), wk = 0.0031056 k( 222) = ( -0.3137277 0.6862723 -0.0000000), wk = 0.0031056 k( 223) = ( -0.3077190 0.6922810 0.0000000), wk = 0.0031056 k( 224) = ( -0.3017102 0.6982898 0.0000000), wk = 0.0031056 k( 225) = ( -0.2957014 0.7042986 -0.0000000), wk = 0.0031056 k( 226) = ( -0.2896926 0.7103074 0.0000000), wk = 0.0031056 k( 227) = ( -0.2836838 0.7163162 0.0000000), wk = 0.0031056 k( 228) = ( -0.2836838 0.7163162 0.0000000), wk = 0.0031056 k( 229) = ( -0.2836838 0.7163162 0.0416667), wk = 0.0031056 k( 230) = ( -0.2836838 0.7163162 0.0833333), wk = 0.0031056 k( 231) = ( -0.2836838 0.7163162 0.1250000), wk = 0.0031056 k( 232) = ( -0.2836838 0.7163162 0.1666667), wk = 0.0031056 k( 233) = ( -0.2836838 0.7163162 0.2083333), wk = 0.0031056 k( 234) = ( -0.2836838 0.7163162 0.2500000), wk = 0.0031056 k( 235) = ( -0.2836838 0.7163162 0.2916667), wk = 0.0031056 k( 236) = ( -0.2836838 0.7163162 0.3333333), wk = 0.0031056 k( 237) = ( -0.2836838 0.7163162 0.3750000), wk = 0.0031056 k( 238) = ( -0.2836838 0.7163162 0.4166667), wk = 0.0031056 k( 239) = ( -0.2836838 0.7163162 0.4583333), wk = 0.0031056 k( 240) = ( -0.2836838 0.7163162 0.5000000), wk = 0.0031056 k( 241) = ( -0.2836838 0.7163162 0.5000000), wk = 0.0031056 k( 242) = ( -0.2896926 0.7103074 0.5000000), wk = 0.0031056 k( 243) = ( -0.2957014 0.7042986 0.5000000), wk = 0.0031056 k( 244) = ( -0.3017102 0.6982898 0.5000000), wk = 0.0031056 k( 245) = ( -0.3077190 0.6922810 0.5000000), wk = 0.0031056 k( 246) = ( -0.3137277 0.6862723 0.5000000), wk = 0.0031056 k( 247) = ( -0.3197365 0.6802635 0.5000000), wk = 0.0031056 k( 248) = ( -0.3257453 0.6742547 0.5000000), wk = 0.0031056 k( 249) = ( -0.3317541 0.6682459 0.5000000), wk = 0.0031056 k( 250) = ( -0.3377629 0.6622371 0.5000000), wk = 0.0031056 k( 251) = ( -0.3437717 0.6562283 0.5000000), wk = 0.0031056 k( 252) = ( -0.3497804 0.6502196 0.5000000), wk = 0.0031056 k( 253) = ( -0.3557892 0.6442108 0.5000000), wk = 0.0031056 k( 254) = ( -0.3617980 0.6382020 0.5000000), wk = 0.0031056 k( 255) = ( -0.3678068 0.6321932 0.5000000), wk = 0.0031056 k( 256) = ( -0.3738156 0.6261844 0.5000000), wk = 0.0031056 k( 257) = ( -0.3798243 0.6201756 0.5000000), wk = 0.0031056 k( 258) = ( -0.3858331 0.6141669 0.5000000), wk = 0.0031056 k( 259) = ( -0.3918419 0.6081581 0.5000000), wk = 0.0031056 k( 260) = ( -0.3978507 0.6021493 0.5000000), wk = 0.0031056 k( 261) = ( -0.4038595 0.5961405 0.5000000), wk = 0.0031056 k( 262) = ( -0.4098683 0.5901317 0.5000000), wk = 0.0031056 k( 263) = ( -0.4158771 0.5841230 0.5000000), wk = 0.0031056 k( 264) = ( -0.4218858 0.5781142 0.5000000), wk = 0.0031056 k( 265) = ( -0.4278946 0.5721054 0.5000000), wk = 0.0031056 k( 266) = ( -0.4339034 0.5660966 0.5000000), wk = 0.0031056 k( 267) = ( -0.4399122 0.5600878 0.5000000), wk = 0.0031056 k( 268) = ( -0.4459210 0.5540790 0.5000000), wk = 0.0031056 k( 269) = ( -0.4519297 0.5480703 0.5000000), wk = 0.0031056 k( 270) = ( -0.4579385 0.5420615 0.5000000), wk = 0.0031056 k( 271) = ( -0.4639473 0.5360527 0.5000000), wk = 0.0031056 k( 272) = ( -0.4699561 0.5300439 0.5000000), wk = 0.0031056 k( 273) = ( -0.4759649 0.5240351 0.5000000), wk = 0.0031056 k( 274) = ( -0.4819736 0.5180263 0.5000000), wk = 0.0031056 k( 275) = ( -0.4879824 0.5120176 0.5000000), wk = 0.0031056 k( 276) = ( -0.4939912 0.5060088 0.5000000), wk = 0.0031056 k( 277) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 278) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 279) = ( -0.5000000 0.5000000 0.4583333), wk = 0.0031056 k( 280) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0031056 k( 281) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0031056 k( 282) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0031056 k( 283) = ( -0.5000000 0.5000000 0.2916667), wk = 0.0031056 k( 284) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0031056 k( 285) = ( -0.5000000 0.5000000 0.2083333), wk = 0.0031056 k( 286) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0031056 k( 287) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0031056 k( 288) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0031056 k( 289) = ( -0.5000000 0.5000000 0.0416667), wk = 0.0031056 k( 290) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0031056 k( 291) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031056 k( 292) = ( -0.0161290 0.0161290 0.5000000), wk = 0.0031056 k( 293) = ( -0.0322581 0.0322581 0.5000000), wk = 0.0031056 k( 294) = ( -0.0483871 0.0483871 0.5000000), wk = 0.0031056 k( 295) = ( -0.0645161 0.0645161 0.5000000), wk = 0.0031056 k( 296) = ( -0.0806452 0.0806452 0.5000000), wk = 0.0031056 k( 297) = ( -0.0967742 0.0967742 0.5000000), wk = 0.0031056 k( 298) = ( -0.1129032 0.1129032 0.5000000), wk = 0.0031056 k( 299) = ( -0.1290323 0.1290323 0.5000000), wk = 0.0031056 k( 300) = ( -0.1451613 0.1451613 0.5000000), wk = 0.0031056 k( 301) = ( -0.1612903 0.1612903 0.5000000), wk = 0.0031056 k( 302) = ( -0.1774194 0.1774194 0.5000000), wk = 0.0031056 k( 303) = ( -0.1935484 0.1935484 0.5000000), wk = 0.0031056 k( 304) = ( -0.2096774 0.2096774 0.5000000), wk = 0.0031056 k( 305) = ( -0.2258064 0.2258065 0.5000000), wk = 0.0031056 k( 306) = ( -0.2419355 0.2419355 0.5000000), wk = 0.0031056 k( 307) = ( -0.2580645 0.2580645 0.5000000), wk = 0.0031056 k( 308) = ( -0.2741936 0.2741936 0.5000000), wk = 0.0031056 k( 309) = ( -0.2903226 0.2903226 0.5000000), wk = 0.0031056 k( 310) = ( -0.3064516 0.3064516 0.5000000), wk = 0.0031056 k( 311) = ( -0.3225807 0.3225807 0.5000000), wk = 0.0031056 k( 312) = ( -0.3387097 0.3387097 0.5000000), wk = 0.0031056 k( 313) = ( -0.3548387 0.3548387 0.5000000), wk = 0.0031056 k( 314) = ( -0.3709677 0.3709677 0.5000000), wk = 0.0031056 k( 315) = ( -0.3870968 0.3870968 0.5000000), wk = 0.0031056 k( 316) = ( -0.4032258 0.4032258 0.5000000), wk = 0.0031056 k( 317) = ( -0.4193548 0.4193548 0.5000000), wk = 0.0031056 k( 318) = ( -0.4354839 0.4354839 0.5000000), wk = 0.0031056 k( 319) = ( -0.4516129 0.4516129 0.5000000), wk = 0.0031056 k( 320) = ( -0.4677419 0.4677419 0.5000000), wk = 0.0031056 k( 321) = ( -0.4838710 0.4838710 0.5000000), wk = 0.0031056 k( 322) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0031056 Dense grid: 119755 G-vectors FFT dimensions: ( 54, 54, 135) Smooth grid: 90067 G-vectors FFT dimensions: ( 48, 48, 120) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 344, 64) NL pseudopotentials 0.79 Mb ( 172, 300) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1646) G-vector shells 0.01 Mb ( 810) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.34 Mb ( 344, 256) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.59 Mb ( 300, 2, 64) The potential is recalculated from file : ./ZrSb.save/charge-density.dat Starting wfc are 156 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 6.1 secs Computing kpt #: 2 total cpu time spent up to now is 9.8 secs Computing kpt #: 3 total cpu time spent up to now is 12.9 secs Computing kpt #: 4 total cpu time spent up to now is 15.7 secs Computing kpt #: 5 total cpu time spent up to now is 18.8 secs Computing kpt #: 6 total cpu time spent up to now is 21.9 secs Computing kpt #: 7 total cpu time spent up to now is 25.4 secs Computing kpt #: 8 total cpu time spent up to now is 29.1 secs Computing kpt #: 9 total cpu time spent up to now is 34.4 secs Computing kpt #: 10 total cpu time spent up to now is 39.3 secs Computing kpt #: 11 total cpu time spent up to now is 42.8 secs Computing kpt #: 12 total cpu time spent up to now is 45.9 secs Computing kpt #: 13 total cpu time spent up to now is 49.1 secs Computing kpt #: 14 total cpu time spent up to now is 51.8 secs Computing kpt #: 15 total cpu time spent up to now is 54.9 secs Computing kpt #: 16 total cpu time spent up to now is 58.0 secs Computing kpt #: 17 total cpu time spent up to now is 61.4 secs Computing kpt #: 18 total cpu time spent up to now is 64.9 secs Computing kpt #: 19 total cpu time spent up to now is 68.0 secs Computing kpt #: 20 total cpu time spent up to now is 71.4 secs Computing kpt #: 21 total cpu time spent up to now is 74.8 secs Computing kpt #: 22 total cpu time spent up to now is 79.0 secs Computing kpt #: 23 total cpu time spent up to now is 84.1 secs Computing kpt #: 24 total cpu time spent up to now is 87.8 secs Computing kpt #: 25 total cpu time spent up to now is 91.8 secs Computing kpt #: 26 total cpu time spent up to now is 95.2 secs Computing kpt #: 27 total cpu time spent up to now is 98.3 secs Computing kpt #: 28 total cpu time spent up to now is 101.4 secs Computing kpt #: 29 total cpu time spent up to now is 104.5 secs Computing kpt #: 30 total cpu time spent up to now is 107.7 secs Computing kpt #: 31 total cpu time spent up to now is 111.0 secs Computing kpt #: 32 total cpu time spent up to now is 113.8 secs Computing kpt #: 33 total cpu time spent up to now is 116.5 secs Computing kpt #: 34 total cpu time spent up to now is 119.0 secs Computing kpt #: 35 total cpu time spent up to now is 121.8 secs Computing kpt #: 36 total cpu time spent up to now is 124.7 secs Computing kpt #: 37 total cpu time spent up to now is 127.9 secs Computing kpt #: 38 total cpu time spent up to now is 131.4 secs Computing kpt #: 39 total cpu time spent up to now is 135.6 secs Computing kpt #: 40 total cpu time spent up to now is 139.9 secs Computing kpt #: 41 total cpu time spent up to now is 143.1 secs Computing kpt #: 42 total cpu time spent up to now is 146.1 secs Computing kpt #: 43 total cpu time spent up to now is 149.1 secs Computing kpt #: 44 total cpu time spent up to now is 151.9 secs Computing kpt #: 45 total cpu time spent up to now is 154.9 secs Computing kpt #: 46 total cpu time spent up to now is 157.8 secs Computing kpt #: 47 total cpu time spent up to now is 160.7 secs Computing kpt #: 48 total cpu time spent up to now is 163.3 secs Computing kpt #: 49 total cpu time spent up to now is 166.2 secs Computing kpt #: 50 total cpu time spent up to now is 168.9 secs Computing kpt #: 51 total cpu time spent up to now is 171.5 secs Computing kpt #: 52 total cpu time spent up to now is 174.2 secs Computing kpt #: 53 total cpu time spent up to now is 177.0 secs Computing kpt #: 54 total cpu time spent up to now is 179.7 secs Computing kpt #: 55 total cpu time spent up to now is 182.9 secs Computing kpt #: 56 total cpu time spent up to now is 185.7 secs Computing kpt #: 57 total cpu time spent up to now is 188.9 secs Computing kpt #: 58 total cpu time spent up to now is 191.9 secs Computing kpt #: 59 total cpu time spent up to now is 194.7 secs Computing kpt #: 60 total cpu time spent up to now is 197.5 secs Computing kpt #: 61 total cpu time spent up to now is 200.3 secs Computing kpt #: 62 total cpu time spent up to now is 203.2 secs Computing kpt #: 63 total cpu time spent up to now is 206.2 secs Computing kpt #: 64 total cpu time spent up to now is 209.3 secs Computing kpt #: 65 total cpu time spent up to now is 212.2 secs Computing kpt #: 66 total cpu time spent up to now is 215.1 secs Computing kpt #: 67 total cpu time spent up to now is 218.0 secs Computing kpt #: 68 total cpu time spent up to now is 220.9 secs Computing kpt #: 69 total cpu time spent up to now is 224.0 secs Computing kpt #: 70 total cpu time spent up to now is 227.0 secs Computing kpt #: 71 total cpu time spent up to now is 230.4 secs Computing kpt #: 72 total cpu time spent up to now is 233.8 secs Computing kpt #: 73 total cpu time spent up to now is 237.0 secs Computing kpt #: 74 total cpu time spent up to now is 240.3 secs Computing kpt #: 75 total cpu time spent up to now is 243.7 secs Computing kpt #: 76 total cpu time spent up to now is 246.9 secs Computing kpt #: 77 total cpu time spent up to now is 249.8 secs Computing kpt #: 78 total cpu time spent up to now is 252.8 secs Computing kpt #: 79 total cpu time spent up to now is 255.7 secs Computing kpt #: 80 total cpu time spent up to now is 258.9 secs Computing kpt #: 81 total cpu time spent up to now is 261.9 secs Computing kpt #: 82 total cpu time spent up to now is 265.0 secs Computing kpt #: 83 total cpu time spent up to now is 267.9 secs Computing kpt #: 84 total cpu time spent up to now is 270.8 secs Computing kpt #: 85 total cpu time spent up to now is 273.9 secs Computing kpt #: 86 total cpu time spent up to now is 276.8 secs Computing kpt #: 87 total cpu time spent up to now is 279.6 secs Computing kpt #: 88 total cpu time spent up to now is 282.4 secs Computing kpt #: 89 total cpu time spent up to now is 285.1 secs Computing kpt #: 90 total cpu time spent up to now is 288.1 secs Computing kpt #: 91 total cpu time spent up to now is 291.0 secs Computing kpt #: 92 total cpu time spent up to now is 293.9 secs Computing kpt #: 93 total cpu time spent up to now is 296.8 secs Computing kpt #: 94 total cpu time spent up to now is 299.6 secs Computing kpt #: 95 total cpu time spent up to now is 302.4 secs Computing kpt #: 96 total cpu time spent up to now is 305.1 secs Computing kpt #: 97 total cpu time spent up to now is 307.9 secs Computing kpt #: 98 total cpu time spent up to now is 310.6 secs Computing kpt #: 99 total cpu time spent up to now is 313.3 secs Computing kpt #: 100 total cpu time spent up to now is 316.2 secs Computing kpt #: 101 total cpu time spent up to now is 319.0 secs Computing kpt #: 102 total cpu time spent up to now is 321.9 secs Computing kpt #: 103 total cpu time spent up to now is 324.6 secs Computing kpt #: 104 total cpu time spent up to now is 327.2 secs Computing kpt #: 105 total cpu time spent up to now is 330.1 secs Computing kpt #: 106 total cpu time spent up to now is 332.8 secs Computing kpt #: 107 total cpu time spent up to now is 335.7 secs Computing kpt #: 108 total cpu time spent up to now is 338.3 secs Computing kpt #: 109 total cpu time spent up to now is 340.9 secs Computing kpt #: 110 total cpu time spent up to now is 343.6 secs Computing kpt #: 111 total cpu time spent up to now is 346.5 secs Computing kpt #: 112 total cpu time spent up to now is 349.2 secs Computing kpt #: 113 total cpu time spent up to now is 351.8 secs Computing kpt #: 114 total cpu time spent up to now is 354.6 secs Computing kpt #: 115 total cpu time spent up to now is 357.3 secs Computing kpt #: 116 total cpu time spent up to now is 360.0 secs Computing kpt #: 117 total cpu time spent up to now is 362.9 secs Computing kpt #: 118 total cpu time spent up to now is 365.7 secs Computing kpt #: 119 total cpu time spent up to now is 368.7 secs Computing kpt #: 120 total cpu time spent up to now is 371.7 secs Computing kpt #: 121 total cpu time spent up to now is 374.7 secs Computing kpt #: 122 total cpu time spent up to now is 377.8 secs Computing kpt #: 123 total cpu time spent up to now is 381.0 secs Computing kpt #: 124 total cpu time spent up to now is 384.1 secs Computing kpt #: 125 total cpu time spent up to now is 387.1 secs Computing kpt #: 126 total cpu time spent up to now is 390.0 secs Computing kpt #: 127 total cpu time spent up to now is 393.2 secs Computing kpt #: 128 total cpu time spent up to now is 396.3 secs Computing kpt #: 129 total cpu time spent up to now is 399.1 secs Computing kpt #: 130 total cpu time spent up to now is 402.0 secs Computing kpt #: 131 total cpu time spent up to now is 404.6 secs Computing kpt #: 132 total cpu time spent up to now is 407.2 secs Computing kpt #: 133 total cpu time spent up to now is 409.6 secs Computing kpt #: 134 total cpu time spent up to now is 412.1 secs Computing kpt #: 135 total cpu time spent up to now is 415.0 secs Computing kpt #: 136 total cpu time spent up to now is 417.7 secs Computing kpt #: 137 total cpu time spent up to now is 420.5 secs Computing kpt #: 138 total cpu time spent up to now is 423.3 secs Computing kpt #: 139 total cpu time spent up to now is 426.1 secs Computing kpt #: 140 total cpu time spent up to now is 428.8 secs Computing kpt #: 141 total cpu time spent up to now is 431.5 secs Computing kpt #: 142 total cpu time spent up to now is 434.3 secs Computing kpt #: 143 total cpu time spent up to now is 437.2 secs Computing kpt #: 144 total cpu time spent up to now is 440.0 secs Computing kpt #: 145 total cpu time spent up to now is 442.7 secs Computing kpt #: 146 total cpu time spent up to now is 445.5 secs Computing kpt #: 147 total cpu time spent up to now is 448.4 secs Computing kpt #: 148 total cpu time spent up to now is 451.1 secs Computing kpt #: 149 total cpu time spent up to now is 453.7 secs Computing kpt #: 150 total cpu time spent up to now is 456.3 secs Computing kpt #: 151 total cpu time spent up to now is 459.1 secs Computing kpt #: 152 total cpu time spent up to now is 462.0 secs Computing kpt #: 153 total cpu time spent up to now is 465.2 secs Computing kpt #: 154 total cpu time spent up to now is 468.6 secs Computing kpt #: 155 total cpu time spent up to now is 471.9 secs Computing kpt #: 156 total cpu time spent up to now is 475.2 secs Computing kpt #: 157 total cpu time spent up to now is 478.9 secs Computing kpt #: 158 total cpu time spent up to now is 482.7 secs Computing kpt #: 159 total cpu time spent up to now is 487.5 secs Computing kpt #: 160 total cpu time spent up to now is 491.5 secs Computing kpt #: 161 total cpu time spent up to now is 496.2 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 501.4 secs Computing kpt #: 163 total cpu time spent up to now is 506.2 secs Computing kpt #: 164 total cpu time spent up to now is 510.9 secs Computing kpt #: 165 total cpu time spent up to now is 514.4 secs Computing kpt #: 166 total cpu time spent up to now is 517.4 secs Computing kpt #: 167 total cpu time spent up to now is 520.1 secs Computing kpt #: 168 total cpu time spent up to now is 523.1 secs Computing kpt #: 169 total cpu time spent up to now is 525.9 secs Computing kpt #: 170 total cpu time spent up to now is 528.7 secs Computing kpt #: 171 total cpu time spent up to now is 531.5 secs Computing kpt #: 172 total cpu time spent up to now is 534.2 secs Computing kpt #: 173 total cpu time spent up to now is 537.1 secs Computing kpt #: 174 total cpu time spent up to now is 539.9 secs Computing kpt #: 175 total cpu time spent up to now is 542.5 secs Computing kpt #: 176 total cpu time spent up to now is 545.1 secs Computing kpt #: 177 total cpu time spent up to now is 547.5 secs Computing kpt #: 178 total cpu time spent up to now is 550.2 secs Computing kpt #: 179 total cpu time spent up to now is 553.0 secs Computing kpt #: 180 total cpu time spent up to now is 555.8 secs Computing kpt #: 181 total cpu time spent up to now is 558.8 secs Computing kpt #: 182 total cpu time spent up to now is 561.8 secs Computing kpt #: 183 total cpu time spent up to now is 564.8 secs Computing kpt #: 184 total cpu time spent up to now is 567.9 secs Computing kpt #: 185 total cpu time spent up to now is 571.6 secs Computing kpt #: 186 total cpu time spent up to now is 577.2 secs Computing kpt #: 187 total cpu time spent up to now is 582.0 secs Computing kpt #: 188 total cpu time spent up to now is 585.6 secs Computing kpt #: 189 total cpu time spent up to now is 588.6 secs Computing kpt #: 190 total cpu time spent up to now is 591.5 secs Computing kpt #: 191 total cpu time spent up to now is 594.9 secs Computing kpt #: 192 total cpu time spent up to now is 598.5 secs Computing kpt #: 193 total cpu time spent up to now is 601.9 secs Computing kpt #: 194 total cpu time spent up to now is 606.2 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 611.5 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 616.7 secs Computing kpt #: 197 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 622.3 secs Computing kpt #: 198 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 627.4 secs Computing kpt #: 199 total cpu time spent up to now is 632.4 secs Computing kpt #: 200 total cpu time spent up to now is 636.0 secs Computing kpt #: 201 total cpu time spent up to now is 639.2 secs Computing kpt #: 202 total cpu time spent up to now is 643.1 secs Computing kpt #: 203 total cpu time spent up to now is 646.6 secs Computing kpt #: 204 total cpu time spent up to now is 650.0 secs Computing kpt #: 205 total cpu time spent up to now is 653.0 secs Computing kpt #: 206 total cpu time spent up to now is 656.2 secs Computing kpt #: 207 total cpu time spent up to now is 659.4 secs Computing kpt #: 208 total cpu time spent up to now is 662.9 secs Computing kpt #: 209 total cpu time spent up to now is 667.0 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 672.7 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 678.0 secs Computing kpt #: 212 total cpu time spent up to now is 682.0 secs Computing kpt #: 213 total cpu time spent up to now is 685.6 secs Computing kpt #: 214 total cpu time spent up to now is 689.1 secs Computing kpt #: 215 total cpu time spent up to now is 692.5 secs Computing kpt #: 216 total cpu time spent up to now is 695.5 secs Computing kpt #: 217 total cpu time spent up to now is 698.1 secs Computing kpt #: 218 total cpu time spent up to now is 700.9 secs Computing kpt #: 219 total cpu time spent up to now is 703.4 secs Computing kpt #: 220 total cpu time spent up to now is 706.1 secs Computing kpt #: 221 total cpu time spent up to now is 708.7 secs Computing kpt #: 222 total cpu time spent up to now is 711.4 secs Computing kpt #: 223 total cpu time spent up to now is 713.9 secs Computing kpt #: 224 total cpu time spent up to now is 716.5 secs Computing kpt #: 225 total cpu time spent up to now is 719.0 secs Computing kpt #: 226 total cpu time spent up to now is 721.6 secs Computing kpt #: 227 total cpu time spent up to now is 724.1 secs Computing kpt #: 228 total cpu time spent up to now is 726.7 secs Computing kpt #: 229 total cpu time spent up to now is 729.4 secs Computing kpt #: 230 total cpu time spent up to now is 731.9 secs Computing kpt #: 231 total cpu time spent up to now is 734.6 secs Computing kpt #: 232 total cpu time spent up to now is 737.1 secs Computing kpt #: 233 total cpu time spent up to now is 739.6 secs Computing kpt #: 234 total cpu time spent up to now is 742.1 secs Computing kpt #: 235 total cpu time spent up to now is 744.6 secs Computing kpt #: 236 total cpu time spent up to now is 747.6 secs Computing kpt #: 237 total cpu time spent up to now is 750.4 secs Computing kpt #: 238 total cpu time spent up to now is 753.2 secs Computing kpt #: 239 total cpu time spent up to now is 756.1 secs Computing kpt #: 240 total cpu time spent up to now is 759.0 secs Computing kpt #: 241 total cpu time spent up to now is 761.7 secs Computing kpt #: 242 total cpu time spent up to now is 764.5 secs Computing kpt #: 243 total cpu time spent up to now is 767.1 secs Computing kpt #: 244 total cpu time spent up to now is 770.0 secs Computing kpt #: 245 total cpu time spent up to now is 772.8 secs Computing kpt #: 246 total cpu time spent up to now is 775.6 secs Computing kpt #: 247 total cpu time spent up to now is 778.6 secs Computing kpt #: 248 total cpu time spent up to now is 781.8 secs Computing kpt #: 249 total cpu time spent up to now is 785.0 secs Computing kpt #: 250 total cpu time spent up to now is 788.2 secs Computing kpt #: 251 total cpu time spent up to now is 791.7 secs Computing kpt #: 252 total cpu time spent up to now is 795.3 secs Computing kpt #: 253 total cpu time spent up to now is 798.8 secs Computing kpt #: 254 total cpu time spent up to now is 802.5 secs Computing kpt #: 255 total cpu time spent up to now is 806.1 secs Computing kpt #: 256 total cpu time spent up to now is 809.4 secs Computing kpt #: 257 total cpu time spent up to now is 813.0 secs Computing kpt #: 258 total cpu time spent up to now is 816.8 secs Computing kpt #: 259 total cpu time spent up to now is 820.7 secs Computing kpt #: 260 total cpu time spent up to now is 824.6 secs Computing kpt #: 261 total cpu time spent up to now is 828.2 secs Computing kpt #: 262 total cpu time spent up to now is 832.1 secs Computing kpt #: 263 total cpu time spent up to now is 835.6 secs Computing kpt #: 264 total cpu time spent up to now is 839.5 secs Computing kpt #: 265 total cpu time spent up to now is 843.0 secs Computing kpt #: 266 total cpu time spent up to now is 846.4 secs Computing kpt #: 267 total cpu time spent up to now is 849.7 secs Computing kpt #: 268 total cpu time spent up to now is 852.9 secs Computing kpt #: 269 total cpu time spent up to now is 855.8 secs Computing kpt #: 270 total cpu time spent up to now is 859.0 secs Computing kpt #: 271 total cpu time spent up to now is 862.2 secs Computing kpt #: 272 total cpu time spent up to now is 865.2 secs Computing kpt #: 273 total cpu time spent up to now is 868.5 secs Computing kpt #: 274 total cpu time spent up to now is 871.3 secs Computing kpt #: 275 total cpu time spent up to now is 874.1 secs Computing kpt #: 276 total cpu time spent up to now is 876.9 secs Computing kpt #: 277 total cpu time spent up to now is 880.0 secs Computing kpt #: 278 total cpu time spent up to now is 883.1 secs Computing kpt #: 279 total cpu time spent up to now is 886.2 secs Computing kpt #: 280 total cpu time spent up to now is 889.2 secs Computing kpt #: 281 total cpu time spent up to now is 892.6 secs Computing kpt #: 282 total cpu time spent up to now is 895.7 secs Computing kpt #: 283 total cpu time spent up to now is 898.8 secs Computing kpt #: 284 total cpu time spent up to now is 902.1 secs Computing kpt #: 285 total cpu time spent up to now is 905.6 secs Computing kpt #: 286 total cpu time spent up to now is 908.9 secs Computing kpt #: 287 total cpu time spent up to now is 912.2 secs Computing kpt #: 288 total cpu time spent up to now is 915.4 secs Computing kpt #: 289 total cpu time spent up to now is 918.4 secs Computing kpt #: 290 total cpu time spent up to now is 921.5 secs Computing kpt #: 291 total cpu time spent up to now is 924.1 secs Computing kpt #: 292 total cpu time spent up to now is 926.8 secs Computing kpt #: 293 total cpu time spent up to now is 929.5 secs Computing kpt #: 294 total cpu time spent up to now is 932.2 secs Computing kpt #: 295 total cpu time spent up to now is 935.2 secs Computing kpt #: 296 total cpu time spent up to now is 937.8 secs Computing kpt #: 297 total cpu time spent up to now is 940.4 secs Computing kpt #: 298 total cpu time spent up to now is 943.1 secs Computing kpt #: 299 total cpu time spent up to now is 945.9 secs Computing kpt #: 300 total cpu time spent up to now is 949.3 secs Computing kpt #: 301 total cpu time spent up to now is 952.2 secs Computing kpt #: 302 total cpu time spent up to now is 955.4 secs Computing kpt #: 303 total cpu time spent up to now is 958.5 secs Computing kpt #: 304 total cpu time spent up to now is 961.7 secs Computing kpt #: 305 total cpu time spent up to now is 965.0 secs Computing kpt #: 306 total cpu time spent up to now is 969.0 secs Computing kpt #: 307 total cpu time spent up to now is 974.1 secs Computing kpt #: 308 total cpu time spent up to now is 979.4 secs Computing kpt #: 309 total cpu time spent up to now is 984.5 secs Computing kpt #: 310 total cpu time spent up to now is 988.1 secs Computing kpt #: 311 total cpu time spent up to now is 992.3 secs Computing kpt #: 312 total cpu time spent up to now is 995.7 secs Computing kpt #: 313 total cpu time spent up to now is 999.6 secs Computing kpt #: 314 total cpu time spent up to now is 1002.9 secs Computing kpt #: 315 total cpu time spent up to now is 1005.8 secs Computing kpt #: 316 total cpu time spent up to now is 1008.6 secs Computing kpt #: 317 total cpu time spent up to now is 1011.3 secs Computing kpt #: 318 total cpu time spent up to now is 1014.5 secs Computing kpt #: 319 total cpu time spent up to now is 1017.7 secs Computing kpt #: 320 total cpu time spent up to now is 1020.7 secs Computing kpt #: 321 total cpu time spent up to now is 1023.8 secs Computing kpt #: 322 total cpu time spent up to now is 1026.9 secs ethr = 1.85E-08, avg # of iterations = 45.6 total cpu time spent up to now is 1026.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11229 PWs) bands (ev): -2.7647 -2.7647 -2.4058 -2.4058 -1.5550 -1.5550 -0.9372 -0.9372 0.4401 0.4401 0.4917 0.4917 4.0847 4.0847 4.1933 4.1933 4.3433 4.3433 5.3050 5.3050 5.3628 5.3628 5.8642 5.8642 5.8678 5.8678 6.5978 6.5978 6.6321 6.6321 6.9083 6.9083 7.0475 7.0475 7.0530 7.0530 7.2902 7.2902 7.5659 7.5659 7.6561 7.6561 7.6895 7.6895 7.7363 7.7363 7.8899 7.8899 7.9970 7.9970 8.0542 8.0542 8.3087 8.3087 8.8231 8.8231 9.3761 9.3761 9.9719 9.9719 10.0855 10.0855 10.3158 10.3158 k = 0.0060 0.0164-0.0000 ( 11231 PWs) bands (ev): -2.7633 -2.7633 -2.4046 -2.4046 -1.5538 -1.5538 -0.9366 -0.9366 0.4405 0.4405 0.4924 0.4924 4.0854 4.0854 4.1940 4.1940 4.3444 4.3444 5.3054 5.3054 5.3639 5.3639 5.8622 5.8622 5.8685 5.8685 6.5960 6.5960 6.6294 6.6294 6.9066 6.9066 7.0398 7.0398 7.0523 7.0523 7.2853 7.2853 7.5486 7.5486 7.6689 7.6689 7.6904 7.6904 7.7337 7.7337 7.8852 7.8852 7.9999 7.9999 8.0571 8.0571 8.3128 8.3128 8.8245 8.8245 9.3730 9.3730 9.9774 9.9774 10.0858 10.0858 10.2751 10.2751 k = 0.0121 0.0329-0.0000 ( 11221 PWs) bands (ev): -2.7591 -2.7591 -2.4008 -2.4008 -1.5505 -1.5505 -0.9348 -0.9348 0.4418 0.4418 0.4943 0.4943 4.0876 4.0876 4.1960 4.1960 4.3477 4.3477 5.3064 5.3064 5.3671 5.3671 5.8578 5.8578 5.8689 5.8689 6.5905 6.5905 6.6213 6.6213 6.9013 6.9013 7.0171 7.0171 7.0498 7.0498 7.2710 7.2710 7.5123 7.5123 7.6842 7.6842 7.6962 7.6962 7.7306 7.7306 7.8722 7.8722 8.0081 8.0081 8.0647 8.0647 8.3251 8.3251 8.8287 8.8287 9.3639 9.3639 9.9933 9.9933 10.0849 10.0849 10.1966 10.1966 k = 0.0181 0.0493-0.0000 ( 11215 PWs) bands (ev): -2.7520 -2.7520 -2.3946 -2.3946 -1.5449 -1.5449 -0.9319 -0.9319 0.4440 0.4440 0.4975 0.4975 4.0911 4.0911 4.1993 4.1993 4.3532 4.3532 5.3081 5.3081 5.3723 5.3723 5.8516 5.8516 5.8682 5.8682 6.5814 6.5814 6.6079 6.6079 6.8921 6.8921 6.9811 6.9811 7.0451 7.0451 7.2485 7.2485 7.4700 7.4700 7.6861 7.6861 7.6928 7.6928 7.7445 7.7445 7.8535 7.8535 8.0198 8.0198 8.0751 8.0751 8.3449 8.3449 8.8355 8.8355 9.3497 9.3497 10.0172 10.0172 10.0639 10.0639 10.1318 10.1318 k = 0.0241 0.0658-0.0000 ( 11223 PWs) bands (ev): -2.7422 -2.7422 -2.3858 -2.3858 -1.5371 -1.5371 -0.9278 -0.9278 0.4470 0.4470 0.5020 0.5020 4.0961 4.0961 4.2039 4.2039 4.3607 4.3607 5.3104 5.3104 5.3796 5.3796 5.8437 5.8437 5.8662 5.8662 6.5685 6.5685 6.5892 6.5892 6.8780 6.8780 6.9351 6.9351 7.0367 7.0367 7.2202 7.2202 7.4250 7.4250 7.6754 7.6754 7.6830 7.6830 7.7680 7.7680 7.8330 7.8330 8.0333 8.0333 8.0865 8.0865 8.3711 8.3711 8.8450 8.8450 9.3313 9.3313 9.9815 9.9815 10.0567 10.0567 10.1213 10.1213 k = 0.0302 0.0822-0.0000 ( 11227 PWs) bands (ev): -2.7295 -2.7295 -2.3746 -2.3746 -1.5270 -1.5270 -0.9225 -0.9225 0.4508 0.4508 0.5077 0.5077 4.1023 4.1023 4.2096 4.2096 4.3702 4.3702 5.3133 5.3133 5.3887 5.3887 5.8337 5.8337 5.8629 5.8629 6.5509 6.5509 6.5662 6.5662 6.8518 6.8518 6.8886 6.8886 7.0223 7.0223 7.1894 7.1894 7.3781 7.3781 7.6541 7.6541 7.6720 7.6720 7.7894 7.7894 7.8175 7.8175 8.0469 8.0469 8.0971 8.0971 8.4024 8.4024 8.8569 8.8569 9.3098 9.3098 9.8906 9.8906 10.0960 10.0960 10.1289 10.1289 k = 0.0362 0.0987-0.0000 ( 11227 PWs) bands (ev): -2.7141 -2.7141 -2.3610 -2.3610 -1.5148 -1.5148 -0.9161 -0.9161 0.4553 0.4553 0.5146 0.5146 4.1098 4.1098 4.2162 4.2162 4.3815 4.3815 5.3168 5.3168 5.3995 5.3995 5.8214 5.8214 5.8583 5.8583 6.5255 6.5255 6.5416 6.5416 6.7995 6.7995 6.8586 6.8586 6.9983 6.9983 7.1609 7.1609 7.3295 7.3295 7.6311 7.6311 7.6493 7.6493 7.7982 7.7982 7.8214 7.8214 8.0597 8.0597 8.1061 8.1061 8.4369 8.4369 8.8712 8.8712 9.2860 9.2860 9.7978 9.7978 10.1304 10.1304 10.1522 10.1522 k = 0.0423 0.1151-0.0000 ( 11235 PWs) bands (ev): -2.6959 -2.6959 -2.3449 -2.3449 -1.5005 -1.5005 -0.9086 -0.9086 0.4605 0.4605 0.5225 0.5225 4.1184 4.1184 4.2237 4.2237 4.3945 4.3945 5.3208 5.3208 5.4118 5.4118 5.8064 5.8064 5.8522 5.8522 6.4908 6.4908 6.5167 6.5167 6.7344 6.7344 6.8347 6.8347 6.9622 6.9622 7.1386 7.1386 7.2792 7.2792 7.6072 7.6072 7.6149 7.6149 7.8012 7.8012 7.8395 7.8395 8.0709 8.0709 8.1125 8.1125 8.4729 8.4729 8.8879 8.8879 9.2604 9.2604 9.7064 9.7064 10.1453 10.1453 10.2001 10.2001 k = 0.0483 0.1315-0.0000 ( 11229 PWs) bands (ev): -2.6750 -2.6750 -2.3264 -2.3264 -1.4840 -1.4840 -0.9000 -0.9000 0.4663 0.4663 0.5315 0.5315 4.1280 4.1280 4.2317 4.2317 4.4088 4.4088 5.3252 5.3252 5.4254 5.4254 5.7881 5.7881 5.8447 5.8447 6.4485 6.4485 6.4885 6.4885 6.6676 6.6676 6.8097 6.8097 6.9142 6.9142 7.1234 7.1234 7.2272 7.2272 7.5692 7.5692 7.5856 7.5856 7.8097 7.8097 7.8589 7.8589 8.0803 8.0803 8.1160 8.1160 8.5085 8.5085 8.9068 8.9068 9.2335 9.2335 9.6178 9.6178 10.1568 10.1568 10.2197 10.2197 k = 0.0543 0.1480-0.0000 ( 11217 PWs) bands (ev): -2.6514 -2.6514 -2.3054 -2.3054 -1.4654 -1.4654 -0.8903 -0.8903 0.4726 0.4726 0.5415 0.5415 4.1385 4.1385 4.2401 4.2401 4.4243 4.4243 5.3300 5.3300 5.4397 5.4397 5.7659 5.7659 5.8359 5.8359 6.3994 6.3994 6.4541 6.4541 6.6044 6.6044 6.7825 6.7825 6.8575 6.8575 7.1133 7.1133 7.1741 7.1741 7.5193 7.5193 7.5628 7.5628 7.8229 7.8229 7.8785 7.8785 8.0877 8.0877 8.1160 8.1160 8.5422 8.5422 8.9281 8.9281 9.2055 9.2055 9.5325 9.5325 10.1639 10.1639 10.2073 10.2073 k = 0.0604 0.1644-0.0000 ( 11211 PWs) bands (ev): -2.6251 -2.6251 -2.2822 -2.2822 -1.4448 -1.4448 -0.8796 -0.8796 0.4794 0.4794 0.5523 0.5523 4.1498 4.1498 4.2485 4.2485 4.4406 4.4406 5.3350 5.3350 5.4544 5.4544 5.7393 5.7393 5.8259 5.8259 6.3439 6.3439 6.4112 6.4112 6.5496 6.5496 6.7532 6.7532 6.7954 6.7954 7.1063 7.1063 7.1205 7.1205 7.4657 7.4657 7.5408 7.5408 7.8396 7.8396 7.8983 7.8983 8.0933 8.0933 8.1125 8.1125 8.5727 8.5727 8.9517 8.9517 9.1765 9.1765 9.4511 9.4511 10.1616 10.1616 10.2057 10.2057 k = 0.0664 0.1809-0.0000 ( 11223 PWs) bands (ev): -2.5962 -2.5962 -2.2566 -2.2566 -1.4222 -1.4222 -0.8680 -0.8680 0.4864 0.4864 0.5639 0.5639 4.1617 4.1617 4.2566 4.2566 4.4574 4.4574 5.3401 5.3401 5.4687 5.4687 5.7076 5.7076 5.8149 5.8149 6.2819 6.2819 6.3596 6.3596 6.5050 6.5050 6.7214 6.7214 6.7310 6.7310 7.0668 7.0668 7.1014 7.1014 7.4100 7.4101 7.5193 7.5193 7.8589 7.8589 7.9186 7.9186 8.0973 8.0973 8.1052 8.1052 8.5990 8.5990 8.9776 8.9776 9.1467 9.1467 9.3743 9.3743 10.1536 10.1536 10.2135 10.2135 k = 0.0724 0.1973-0.0000 ( 11242 PWs) bands (ev): -2.5646 -2.5646 -2.2287 -2.2287 -1.3977 -1.3977 -0.8554 -0.8554 0.4936 0.4936 0.5761 0.5761 4.1740 4.1740 4.2640 4.2640 4.4742 4.4742 5.3452 5.3452 5.4817 5.4817 5.6703 5.6703 5.8032 5.8032 6.2139 6.2139 6.3032 6.3032 6.4686 6.4686 6.6637 6.6637 6.6900 6.6900 7.0141 7.0141 7.0972 7.0972 7.3537 7.3537 7.4980 7.4980 7.8802 7.8802 7.9395 7.9395 8.0924 8.0924 8.1017 8.1017 8.6201 8.6201 9.0054 9.0054 9.1161 9.1161 9.3025 9.3025 10.1473 10.1473 10.2240 10.2240 k = 0.0785 0.2138-0.0000 ( 11250 PWs) bands (ev): -2.5306 -2.5306 -2.1986 -2.1986 -1.3713 -1.3713 -0.8419 -0.8419 0.5008 0.5008 0.5887 0.5887 4.1866 4.1866 4.2704 4.2704 4.4906 4.4906 5.3501 5.3501 5.4916 5.4916 5.6275 5.6275 5.7913 5.7913 6.1407 6.1407 6.2465 6.2465 6.4368 6.4368 6.5985 6.5985 6.6561 6.6561 6.9631 6.9631 7.0936 7.0936 7.2978 7.2978 7.4767 7.4767 7.9032 7.9032 7.9610 7.9610 8.0769 8.0769 8.1041 8.1041 8.6356 8.6356 9.0344 9.0344 9.0852 9.0852 9.2368 9.2368 10.1454 10.1454 10.2347 10.2347 k = 0.0845 0.2302-0.0000 ( 11246 PWs) bands (ev): -2.4940 -2.4940 -2.1663 -2.1663 -1.3431 -1.3431 -0.8276 -0.8276 0.5080 0.5080 0.6017 0.6017 4.1992 4.1992 4.2754 4.2754 4.5060 4.5060 5.3546 5.3546 5.4954 5.4954 5.5809 5.5809 5.7798 5.7798 6.0626 6.0626 6.1932 6.1932 6.4075 6.4075 6.5356 6.5356 6.6218 6.6218 6.9147 6.9147 7.0901 7.0901 7.2431 7.2431 7.4551 7.4551 7.9270 7.9270 7.9829 7.9829 8.0576 8.0576 8.1068 8.1068 8.6452 8.6452 9.0483 9.0483 9.0674 9.0674 9.1801 9.1801 10.1489 10.1489 10.2447 10.2447 k = 0.0905 0.2467-0.0000 ( 11246 PWs) bands (ev): -2.4550 -2.4550 -2.1319 -2.1319 -1.3132 -1.3132 -0.8125 -0.8125 0.5148 0.5148 0.6148 0.6148 4.2116 4.2116 4.2785 4.2785 4.5198 4.5198 5.3585 5.3585 5.4839 5.4839 5.5382 5.5382 5.7693 5.7693 5.9802 5.9802 6.1459 6.1459 6.3791 6.3791 6.4767 6.4767 6.5874 6.5874 6.8693 6.8693 7.0862 7.0862 7.1908 7.1908 7.4328 7.4328 7.9504 7.9504 8.0029 8.0029 8.0379 8.0379 8.1100 8.1100 8.6488 8.6488 9.0179 9.0179 9.0756 9.0756 9.1490 9.1490 10.1581 10.1581 10.2535 10.2535 k = 0.0966 0.2631-0.0000 ( 11242 PWs) bands (ev): -2.4135 -2.4135 -2.0953 -2.0953 -1.2817 -1.2817 -0.7967 -0.7967 0.5211 0.5211 0.6279 0.6279 4.2236 4.2236 4.2794 4.2794 4.5316 4.5316 5.3612 5.3612 5.4421 5.4421 5.5131 5.5131 5.7607 5.7607 5.8940 5.8940 6.1066 6.1066 6.3505 6.3505 6.4238 6.4238 6.5536 6.5536 6.8274 6.8274 7.0802 7.0802 7.1429 7.1429 7.4097 7.4097 7.9654 7.9654 8.0085 8.0085 8.0381 8.0381 8.1141 8.1141 8.6469 8.6469 8.9847 8.9847 9.0450 9.0450 9.1670 9.1670 10.1729 10.1729 10.2611 10.2611 k = 0.1026 0.2795-0.0000 ( 11254 PWs) bands (ev): -2.3698 -2.3698 -2.0568 -2.0568 -1.2486 -1.2486 -0.7802 -0.7802 0.5268 0.5268 0.6407 0.6407 4.2347 4.2347 4.2778 4.2778 4.5405 4.5405 5.3579 5.3579 5.3873 5.3873 5.4919 5.4919 5.7546 5.7546 5.8044 5.8044 6.0767 6.0767 6.3206 6.3206 6.3790 6.3790 6.5207 6.5207 6.7892 6.7892 7.0654 7.0654 7.1064 7.1064 7.3853 7.3853 7.9500 7.9500 8.0209 8.0209 8.0585 8.0585 8.1195 8.1195 8.6399 8.6399 8.9508 8.9508 9.0033 9.0033 9.2042 9.2042 10.1928 10.1928 10.2671 10.2671 k = 0.1086 0.2960-0.0000 ( 11258 PWs) bands (ev): -2.3239 -2.3239 -2.0163 -2.0163 -1.2141 -1.2141 -0.7632 -0.7632 0.5316 0.5316 0.6530 0.6530 4.2444 4.2444 4.2739 4.2739 4.5462 4.5462 5.3099 5.3099 5.3696 5.3696 5.4628 5.4628 5.7117 5.7117 5.7526 5.7526 6.0564 6.0564 6.2897 6.2897 6.3430 6.3430 6.4894 6.4894 6.7549 6.7549 7.0326 7.0326 7.0911 7.0911 7.3596 7.3596 7.9163 7.9163 8.0457 8.0457 8.0809 8.0809 8.1266 8.1266 8.6286 8.6286 8.9167 8.9167 8.9633 8.9633 9.2470 9.2470 10.2171 10.2171 10.2717 10.2717 k = 0.1147 0.3124-0.0000 ( 11250 PWs) bands (ev): -2.2758 -2.2758 -1.9740 -1.9740 -1.1782 -1.1782 -0.7456 -0.7456 0.5353 0.5353 0.6646 0.6646 4.2501 4.2501 4.2697 4.2697 4.5482 4.5482 5.2424 5.2424 5.3658 5.3658 5.4241 5.4241 5.6193 5.6193 5.7528 5.7528 6.0451 6.0451 6.2603 6.2603 6.3145 6.3145 6.4601 6.4601 6.7243 6.7243 6.9938 6.9938 7.0848 7.0848 7.3325 7.3325 7.8765 7.8765 8.0731 8.0731 8.1024 8.1024 8.1361 8.1361 8.6140 8.6140 8.8828 8.8828 8.9265 8.9265 9.2930 9.2930 10.2441 10.2441 10.2759 10.2759 k = 0.1207 0.3289-0.0000 ( 11242 PWs) bands (ev): -2.2256 -2.2256 -1.9298 -1.9298 -1.1411 -1.1411 -0.7276 -0.7276 0.5377 0.5377 0.6751 0.6751 4.2456 4.2456 4.2710 4.2710 4.5462 4.5462 5.1728 5.1728 5.3549 5.3549 5.3773 5.3773 5.5314 5.5314 5.7560 5.7560 6.0410 6.0410 6.2359 6.2359 6.2909 6.2909 6.4332 6.4332 6.6974 6.6974 6.9565 6.9565 7.0803 7.0803 7.3038 7.3038 7.8332 7.8332 8.1008 8.1008 8.1218 8.1218 8.1483 8.1483 8.5970 8.5970 8.8496 8.8496 8.8929 8.8929 9.3415 9.3415 10.2630 10.2630 10.2895 10.2895 k = 0.1268 0.3453-0.0000 ( 11244 PWs) bands (ev): -2.1735 -2.1735 -1.8840 -1.8840 -1.1029 -1.1029 -0.7093 -0.7093 0.5384 0.5384 0.6844 0.6844 4.2322 4.2322 4.2763 4.2763 4.5401 4.5401 5.1033 5.1033 5.3166 5.3166 5.3294 5.3294 5.4629 5.4629 5.7618 5.7618 6.0419 6.0419 6.2185 6.2185 6.2711 6.2711 6.4088 6.4088 6.6741 6.6741 6.9221 6.9221 7.0759 7.0759 7.2737 7.2737 7.7876 7.7876 8.1270 8.1270 8.1395 8.1395 8.1631 8.1631 8.5790 8.5790 8.8174 8.8174 8.8621 8.8621 9.3919 9.3919 10.2639 10.2639 10.3212 10.3212 k = 0.1328 0.3618-0.0000 ( 11232 PWs) bands (ev): -2.1195 -2.1195 -1.8366 -1.8366 -1.0637 -1.0637 -0.6907 -0.6907 0.5374 0.5374 0.6921 0.6921 4.2140 4.2140 4.2813 4.2813 4.5301 4.5301 5.0347 5.0347 5.2529 5.2529 5.2645 5.2645 5.4306 5.4306 5.7697 5.7697 6.0456 6.0456 6.2088 6.2088 6.2546 6.2546 6.3873 6.3873 6.6545 6.6545 6.8912 6.8912 7.0709 7.0709 7.2423 7.2423 7.7404 7.7404 8.1464 8.1464 8.1600 8.1600 8.1799 8.1799 8.5611 8.5611 8.7863 8.7863 8.8338 8.8338 9.4439 9.4439 10.2582 10.2582 10.3575 10.3575 k = 0.1388 0.3782-0.0000 ( 11238 PWs) bands (ev): -2.0638 -2.0638 -1.7877 -1.7877 -1.0238 -1.0238 -0.6719 -0.6719 0.5343 0.5343 0.6980 0.6980 4.1922 4.1922 4.2849 4.2849 4.5167 4.5167 4.9675 4.9675 5.1651 5.1651 5.1979 5.1979 5.4204 5.4204 5.7795 5.7795 6.0503 6.0503 6.2065 6.2065 6.2417 6.2417 6.3688 6.3688 6.6385 6.6385 6.8638 6.8638 7.0648 7.0648 7.2101 7.2101 7.6924 7.6924 8.1578 8.1578 8.1823 8.1823 8.1994 8.1994 8.5445 8.5445 8.7564 8.7564 8.8079 8.8079 9.4972 9.4972 10.2481 10.2481 10.3712 10.3712 k = 0.1449 0.3946-0.0000 ( 11238 PWs) bands (ev): -2.0065 -2.0065 -1.7375 -1.7375 -0.9832 -0.9832 -0.6530 -0.6530 0.5290 0.5290 0.7016 0.7016 4.1672 4.1672 4.2868 4.2868 4.5004 4.5004 4.9019 4.9019 5.0678 5.0678 5.1324 5.1324 5.4177 5.4177 5.7909 5.7909 6.0549 6.0549 6.2095 6.2095 6.2333 6.2333 6.3539 6.3539 6.6264 6.6264 6.8401 6.8401 7.0568 7.0568 7.1776 7.1776 7.6442 7.6442 8.1629 8.1629 8.2024 8.2024 8.2226 8.2226 8.5301 8.5301 8.7278 8.7278 8.7840 8.7840 9.5514 9.5514 10.2338 10.2338 10.3434 10.3434 k = 0.1509 0.4111-0.0000 ( 11254 PWs) bands (ev): -1.9478 -1.9478 -1.6860 -1.6860 -0.9422 -0.9422 -0.6341 -0.6341 0.5211 0.5211 0.7028 0.7028 4.1394 4.1394 4.2866 4.2866 4.4823 4.4823 4.8370 4.8370 4.9700 4.9700 5.0670 5.0670 5.4175 5.4175 5.8035 5.8035 6.0587 6.0587 6.2133 6.2133 6.2322 6.2322 6.3427 6.3427 6.6184 6.6184 6.8200 6.8200 7.0453 7.0453 7.1462 7.1462 7.5965 7.5965 8.1610 8.1610 8.2224 8.2224 8.2471 8.2471 8.5181 8.5181 8.7007 8.7007 8.7619 8.7619 9.6063 9.6063 10.2154 10.2154 10.3133 10.3133 k = 0.1569 0.4275-0.0000 ( 11256 PWs) bands (ev): -1.8878 -1.8878 -1.6335 -1.6335 -0.9008 -0.9008 -0.6153 -0.6153 0.5106 0.5106 0.7012 0.7012 4.1094 4.1094 4.2841 4.2841 4.4630 4.4630 4.7709 4.7709 4.8765 4.8765 5.0031 5.0031 5.4184 5.4184 5.8170 5.8170 6.0611 6.0611 6.2141 6.2141 6.2406 6.2406 6.3358 6.3358 6.6146 6.6146 6.8034 6.8034 7.0282 7.0282 7.1179 7.1179 7.5499 7.5499 8.1521 8.1521 8.2441 8.2441 8.2713 8.2713 8.5083 8.5083 8.6752 8.6752 8.7417 8.7417 9.6615 9.6615 10.1930 10.1930 10.2848 10.2848 k = 0.1630 0.4440-0.0000 ( 11260 PWs) bands (ev): -1.8266 -1.8266 -1.5799 -1.5799 -0.8594 -0.8594 -0.5967 -0.5967 0.4971 0.4971 0.6965 0.6965 4.0775 4.0775 4.2787 4.2787 4.4436 4.4436 4.6994 4.6994 4.7928 4.7928 4.9419 4.9419 5.4196 5.4196 5.8309 5.8309 6.0615 6.0615 6.2149 6.2149 6.2535 6.2535 6.3337 6.3337 6.6149 6.6149 6.7903 6.7903 7.0037 7.0037 7.0946 7.0946 7.5050 7.5050 8.1374 8.1374 8.2677 8.2677 8.2944 8.2944 8.4995 8.4995 8.6516 8.6516 8.7231 8.7231 9.7165 9.7165 10.1672 10.1672 10.2587 10.2587 k = 0.1690 0.4604-0.0000 ( 11250 PWs) bands (ev): -1.7646 -1.7646 -1.5257 -1.5257 -0.8181 -0.8181 -0.5784 -0.5784 0.4807 0.4807 0.6885 0.6885 4.0444 4.0444 4.2695 4.2695 4.4246 4.4246 4.6208 4.6208 4.7226 4.7226 4.8851 4.8851 5.4210 5.4210 5.8448 5.8448 6.0595 6.0595 6.2175 6.2175 6.2679 6.2679 6.3367 6.3367 6.6191 6.6191 6.7805 6.7805 6.9723 6.9723 7.0758 7.0758 7.4623 7.4623 8.1180 8.1180 8.2928 8.2928 8.3163 8.3163 8.4903 8.4903 8.6300 8.6300 8.7061 8.7061 9.7706 9.7706 10.1388 10.1388 10.2353 10.2353 k = 0.1750 0.4769-0.0000 ( 11254 PWs) bands (ev): -1.7018 -1.7018 -1.4708 -1.4708 -0.7772 -0.7772 -0.5605 -0.5605 0.4611 0.4611 0.6770 0.6770 4.0103 4.0103 4.2545 4.2545 4.4062 4.4062 4.5410 4.5410 4.6626 4.6626 4.8341 4.8341 5.4224 5.4224 5.8580 5.8580 6.0548 6.0548 6.2215 6.2215 6.2828 6.2828 6.3450 6.3450 6.6268 6.6268 6.7736 6.7736 6.9366 6.9366 7.0593 7.0593 7.4223 7.4223 8.0955 8.0955 8.3184 8.3184 8.3377 8.3377 8.4795 8.4795 8.6108 8.6108 8.6908 8.6908 9.8224 9.8224 10.1094 10.1094 10.2149 10.2149 k = 0.1811 0.4933-0.0000 ( 11246 PWs) bands (ev): -1.6386 -1.6386 -1.4155 -1.4155 -0.7370 -0.7370 -0.5430 -0.5430 0.4384 0.4384 0.6618 0.6618 3.9759 3.9759 4.2294 4.2294 4.3874 4.3874 4.4712 4.4712 4.6083 4.6083 4.7903 4.7903 5.4240 5.4240 5.8701 5.8701 6.0472 6.0472 6.2263 6.2263 6.2984 6.2984 6.3580 6.3580 6.6369 6.6369 6.7689 6.7689 6.8996 6.8996 7.0431 7.0431 7.3854 7.3854 8.0712 8.0712 8.3409 8.3409 8.3615 8.3615 8.4659 8.4659 8.5943 8.5943 8.6773 8.6773 9.8689 9.8689 10.0826 10.0826 10.1974 10.1974 k = 0.1871 0.5098-0.0000 ( 11244 PWs) bands (ev): -1.5752 -1.5752 -1.3599 -1.3599 -0.6976 -0.6976 -0.5262 -0.5262 0.4124 0.4124 0.6428 0.6428 3.9417 3.9417 4.1881 4.1881 4.3644 4.3644 4.4248 4.4248 4.5571 4.5571 4.7545 4.7545 5.4260 5.4260 5.8802 5.8802 6.0371 6.0371 6.2312 6.2312 6.3153 6.3153 6.3743 6.3743 6.6485 6.6485 6.7642 6.7642 6.8649 6.8649 7.0261 7.0261 7.3521 7.3521 8.0463 8.0463 8.3576 8.3576 8.3898 8.3898 8.4488 8.4488 8.5811 8.5811 8.6657 8.6657 9.9017 9.9017 10.0671 10.0671 10.1829 10.1829 k = 0.1931 0.5262-0.0000 ( 11264 PWs) bands (ev): -1.5118 -1.5118 -1.3044 -1.3044 -0.6593 -0.6593 -0.5100 -0.5100 0.3834 0.3834 0.6199 0.6199 3.9080 3.9080 4.1287 4.1287 4.3380 4.3380 4.4050 4.4050 4.5083 4.5083 4.7271 4.7271 5.4287 5.4287 5.8876 5.8876 6.0246 6.0246 6.2362 6.2362 6.3338 6.3338 6.3925 6.3925 6.6604 6.6604 6.7551 6.7551 6.8382 6.8382 7.0078 7.0078 7.3225 7.3225 8.0218 8.0218 8.3695 8.3695 8.4179 8.4179 8.4302 8.4302 8.5722 8.5722 8.6562 8.6562 9.9078 9.9078 10.0768 10.0768 10.1712 10.1712 k = 0.1992 0.5426-0.0000 ( 11262 PWs) bands (ev): -1.4488 -1.4488 -1.2492 -1.2492 -0.6225 -0.6225 -0.4947 -0.4947 0.3513 0.3513 0.5930 0.5930 3.8755 3.8755 4.0572 4.0572 4.3152 4.3152 4.4003 4.4003 4.4623 4.4623 4.7080 4.7080 5.4324 5.4324 5.8915 5.8915 6.0100 6.0100 6.2413 6.2413 6.3536 6.3536 6.4113 6.4113 6.6711 6.6711 6.7375 6.7375 6.8250 6.8250 6.9889 6.9889 7.2964 7.2964 7.9987 7.9987 8.3774 8.3774 8.4008 8.4008 8.4512 8.4512 8.5702 8.5702 8.6490 8.6490 9.8880 9.8880 10.1111 10.1111 10.1622 10.1622 k = 0.2052 0.5591-0.0000 ( 11270 PWs) bands (ev): -1.3865 -1.3865 -1.1944 -1.1944 -0.5875 -0.5875 -0.4802 -0.4802 0.3163 0.3163 0.5624 0.5624 3.8445 3.8445 3.9810 3.9810 4.2958 4.2958 4.4035 4.4035 4.4207 4.4207 4.6967 4.6967 5.4372 5.4372 5.8912 5.8912 5.9934 5.9934 6.2468 6.2468 6.3736 6.3736 6.4296 6.4296 6.6758 6.6758 6.7188 6.7188 6.8222 6.8222 6.9703 6.9703 7.2739 7.2739 7.9777 7.9777 8.3699 8.3699 8.3834 8.3834 8.4740 8.4740 8.5796 8.5796 8.6444 8.6444 9.8555 9.8555 10.1504 10.1504 10.1623 10.1623 k = 0.2113 0.5755-0.0000 ( 11282 PWs) bands (ev): -1.3251 -1.3251 -1.1403 -1.1403 -0.5547 -0.5547 -0.4666 -0.4666 0.2786 0.2786 0.5279 0.5279 3.8155 3.8155 3.9047 3.9047 4.2775 4.2775 4.3803 4.3803 4.4169 4.4169 4.6929 4.6929 5.4435 5.4435 5.8862 5.8862 5.9749 5.9749 6.2526 6.2526 6.3916 6.3916 6.4471 6.4471 6.6656 6.6656 6.7155 6.7155 6.8221 6.8221 6.9541 6.9541 7.2546 7.2546 7.9594 7.9594 8.3368 8.3368 8.3840 8.3840 8.4866 8.4866 8.6040 8.6040 8.6431 8.6431 9.8182 9.8182 10.1482 10.1482 10.2105 10.2105 k = 0.2173 0.5920-0.0000 ( 11276 PWs) bands (ev): -1.2652 -1.2652 -1.0872 -1.0872 -0.5243 -0.5243 -0.4542 -0.4542 0.2386 0.2386 0.4899 0.4899 3.7889 3.7889 3.8312 3.8312 4.2591 4.2591 4.3477 4.3477 4.4342 4.4342 4.6959 4.6959 5.4513 5.4513 5.8759 5.8759 5.9545 5.9545 6.2581 6.2581 6.4054 6.4054 6.4639 6.4639 6.6500 6.6500 6.7234 6.7234 6.8193 6.8193 6.9428 6.9428 7.2385 7.2385 7.9446 7.9446 8.2997 8.2997 8.3817 8.3817 8.4912 8.4912 8.6349 8.6349 8.6509 8.6509 9.7794 9.7794 10.1443 10.1443 10.2638 10.2638 k = 0.2233 0.6084-0.0000 ( 11272 PWs) bands (ev): -1.2070 -1.2070 -1.0354 -1.0354 -0.4968 -0.4968 -0.4429 -0.4429 0.1967 0.1967 0.4485 0.4485 3.7576 3.7576 3.7694 3.7694 4.2402 4.2402 4.3205 4.3205 4.4576 4.4576 4.7053 4.7053 5.4608 5.4608 5.8599 5.8599 5.9322 5.9322 6.2620 6.2620 6.4135 6.4135 6.4801 6.4801 6.6408 6.6408 6.7330 6.7330 6.8116 6.8116 6.9377 6.9377 7.2256 7.2256 7.9336 7.9336 8.2597 8.2597 8.3760 8.3760 8.4925 8.4925 8.6447 8.6447 8.6911 8.6911 9.7405 9.7405 10.1411 10.1411 10.3180 10.3180 k = 0.2294 0.6249-0.0000 ( 11284 PWs) bands (ev): -1.1509 -1.1509 -0.9852 -0.9852 -0.4727 -0.4727 -0.4329 -0.4329 0.1531 0.1531 0.4039 0.4039 3.6955 3.6955 3.7470 3.7470 4.2213 4.2213 4.2988 4.2988 4.4865 4.4865 4.7205 4.7205 5.4720 5.4720 5.8381 5.8381 5.9082 5.9082 6.2632 6.2632 6.4177 6.4177 6.4940 6.4940 6.6417 6.6417 6.7393 6.7393 6.8023 6.8023 6.9380 6.9380 7.2162 7.2162 7.9268 7.9268 8.2174 8.2174 8.3671 8.3671 8.4929 8.4929 8.6524 8.6524 8.7418 8.7418 9.7024 9.7024 10.1385 10.1385 10.3724 10.3724 k = 0.2354 0.6413-0.0000 ( 11280 PWs) bands (ev): -1.0974 -1.0974 -0.9369 -0.9369 -0.4526 -0.4526 -0.4243 -0.4243 0.1086 0.1086 0.3564 0.3564 3.6370 3.6370 3.7309 3.7309 4.2036 4.2036 4.2819 4.2819 4.5206 4.5206 4.7407 4.7407 5.4848 5.4848 5.8101 5.8101 5.8829 5.8829 6.2606 6.2606 6.4212 6.4212 6.5039 6.5039 6.6524 6.6524 6.7355 6.7355 6.7996 6.7996 6.9412 6.9412 7.2107 7.2107 7.9243 7.9243 8.1736 8.1736 8.3551 8.3551 8.4935 8.4935 8.6629 8.6629 8.7970 8.7970 9.6654 9.6654 10.1363 10.1363 10.4266 10.4266 k = 0.2414 0.6577-0.0000 ( 11280 PWs) bands (ev): -1.0467 -1.0467 -0.8906 -0.8906 -0.4370 -0.4370 -0.4171 -0.4171 0.0638 0.0638 0.3064 0.3064 3.5851 3.5851 3.7193 3.7193 4.1880 4.1880 4.2690 4.2690 4.5593 4.5593 4.7651 4.7651 5.4990 5.4990 5.7761 5.7761 5.8566 5.8566 6.2550 6.2550 6.4261 6.4261 6.5086 6.5086 6.6708 6.6708 6.7199 6.7199 6.8073 6.8073 6.9456 6.9456 7.2096 7.2096 7.9261 7.9261 8.1291 8.1291 8.3404 8.3404 8.4948 8.4948 8.6763 8.6763 8.8556 8.8556 9.6299 9.6299 10.1341 10.1341 10.4149 10.4149 k = 0.2475 0.6742-0.0000 ( 11280 PWs) bands (ev): -0.9993 -0.9993 -0.8468 -0.8468 -0.4268 -0.4268 -0.4115 -0.4115 0.0196 0.0196 0.2540 0.2540 3.5405 3.5405 3.7125 3.7125 4.1755 4.1755 4.2598 4.2598 4.6022 4.6022 4.7930 4.7930 5.5140 5.5140 5.7362 5.7362 5.8301 5.8301 6.2481 6.2481 6.4324 6.4324 6.5087 6.5087 6.6858 6.6858 6.7065 6.7065 6.8208 6.8208 6.9505 6.9505 7.2130 7.2130 7.9318 7.9318 8.0848 8.0848 8.3233 8.3233 8.4969 8.4969 8.6928 8.6928 8.9171 8.9171 9.5960 9.5960 10.1318 10.1318 10.3820 10.3820 k = 0.2535 0.6906-0.0000 ( 11280 PWs) bands (ev): -0.9554 -0.9554 -0.8056 -0.8056 -0.4226 -0.4226 -0.4079 -0.4079 -0.0229 -0.0229 0.1997 0.1997 3.5037 3.5037 3.7108 3.7108 4.1662 4.1662 4.2543 4.2543 4.6486 4.6486 4.8233 4.8233 5.5288 5.5288 5.6914 5.6914 5.8048 5.8048 6.2419 6.2419 6.4377 6.4377 6.5063 6.5063 6.6649 6.6649 6.7296 6.7296 6.8365 6.8365 6.9562 6.9562 7.2208 7.2208 7.9402 7.9402 8.0424 8.0424 8.3045 8.3045 8.4998 8.4998 8.7120 8.7120 8.9811 8.9811 9.5637 9.5637 10.1291 10.1291 10.3488 10.3488 k = 0.2595 0.7071-0.0000 ( 11282 PWs) bands (ev): -0.9154 -0.9154 -0.7674 -0.7674 -0.4256 -0.4256 -0.4064 -0.4064 -0.0626 -0.0626 0.1437 0.1437 3.4754 3.4754 3.7146 3.7146 4.1598 4.1598 4.2530 4.2530 4.6980 4.6980 4.8546 4.8546 5.5408 5.5408 5.6440 5.6440 5.7824 5.7824 6.2377 6.2377 6.4385 6.4385 6.5045 6.5045 6.6368 6.6368 6.7609 6.7609 6.8528 6.8528 6.9637 6.9637 7.2329 7.2329 7.9462 7.9462 8.0072 8.0072 8.2845 8.2845 8.5035 8.5035 8.7340 8.7340 9.0471 9.0471 9.5330 9.5330 10.1257 10.1257 10.3152 10.3152 k = 0.2656 0.7235-0.0000 ( 11290 PWs) bands (ev): -0.8794 -0.8794 -0.7323 -0.7323 -0.4368 -0.4368 -0.4070 -0.4070 -0.0981 -0.0981 0.0863 0.0863 3.4559 3.4559 3.7241 3.7241 4.1558 4.1558 4.2564 4.2564 4.7494 4.7494 4.8857 4.8857 5.5397 5.5397 5.6035 5.6035 5.7653 5.7653 6.2364 6.2364 6.4319 6.4319 6.5058 6.5058 6.6076 6.6076 6.7943 6.7943 6.8688 6.8688 6.9743 6.9743 7.2487 7.2487 7.9323 7.9323 7.9968 7.9968 8.2639 8.2639 8.5079 8.5079 8.7584 8.7584 9.1145 9.1145 9.5036 9.5036 10.1215 10.1215 10.2812 10.2812 k = 0.2716 0.7400-0.0000 ( 11302 PWs) bands (ev): -0.8475 -0.8475 -0.7005 -0.7005 -0.4570 -0.4570 -0.4098 -0.4098 -0.1288 -0.1288 0.0278 0.0278 3.4456 3.4456 3.7397 3.7397 4.1535 4.1535 4.2651 4.2651 4.8021 4.8021 4.9147 4.9147 5.5041 5.5041 5.5908 5.5908 5.7566 5.7566 6.2384 6.2384 6.4181 6.4181 6.5097 6.5097 6.5789 6.5789 6.8278 6.8278 6.8843 6.8843 6.9893 6.9893 7.2678 7.2678 7.8995 7.8995 8.0103 8.0103 8.2435 8.2435 8.5129 8.5129 8.7850 8.7850 9.1830 9.1830 9.4757 9.4757 10.1160 10.1160 10.2467 10.2467 k = 0.2776 0.7564-0.0000 ( 11288 PWs) bands (ev): -0.8199 -0.8199 -0.6722 -0.6722 -0.4858 -0.4858 -0.4150 -0.4150 -0.1545 -0.1545 -0.0315 -0.0315 3.4448 3.4448 3.7614 3.7614 4.1524 4.1524 4.2794 4.2794 4.8549 4.8549 4.9397 4.9397 5.4480 5.4480 5.5922 5.5922 5.7584 5.7584 6.2436 6.2436 6.3996 6.3996 6.5128 6.5128 6.5528 6.5528 6.8584 6.8584 6.9021 6.9021 7.0092 7.0092 7.2897 7.2897 7.8642 7.8642 8.0314 8.0314 8.2240 8.2240 8.5185 8.5185 8.8137 8.8137 9.2514 9.2514 9.4494 9.4494 10.1091 10.1091 10.2117 10.2117 k = 0.2837 0.7728-0.0000 ( 11294 PWs) bands (ev): -0.7964 -0.7964 -0.6475 -0.6475 -0.5222 -0.5222 -0.4226 -0.4226 -0.1762 -0.1762 -0.0913 -0.0913 3.4535 3.4535 3.7893 3.7893 4.1521 4.1521 4.2992 4.2992 4.9064 4.9064 4.9588 4.9588 5.3861 5.3861 5.5957 5.5957 5.7703 5.7703 6.2520 6.2520 6.3790 6.3790 6.5083 6.5083 6.5351 6.5351 6.8803 6.8803 6.9280 6.9280 7.0339 7.0339 7.3141 7.3141 7.8307 7.8307 8.0557 8.0557 8.2061 8.2061 8.5246 8.5246 8.8443 8.8443 9.3177 9.3177 9.4264 9.4264 10.1003 10.1003 10.1762 10.1762 k = 0.2837 0.7728-0.0000 ( 11294 PWs) bands (ev): -0.7964 -0.7964 -0.6475 -0.6475 -0.5222 -0.5222 -0.4226 -0.4226 -0.1762 -0.1762 -0.0913 -0.0913 3.4535 3.4535 3.7893 3.7893 4.1521 4.1521 4.2992 4.2992 4.9064 4.9064 4.9588 4.9588 5.3861 5.3861 5.5957 5.5957 5.7703 5.7703 6.2520 6.2520 6.3790 6.3790 6.5083 6.5083 6.5351 6.5351 6.8803 6.8803 6.9280 6.9280 7.0339 7.0339 7.3141 7.3141 7.8307 7.8307 8.0557 8.0557 8.2061 8.2061 8.5246 8.5246 8.8443 8.8443 9.3177 9.3177 9.4264 9.4264 10.1003 10.1003 10.1762 10.1762 k = 0.2670 0.7728-0.0000 ( 11292 PWs) bands (ev): -0.8056 -0.8056 -0.6567 -0.6567 -0.5085 -0.5085 -0.4200 -0.4200 -0.1688 -0.1688 -0.0700 -0.0700 3.4515 3.4515 3.7814 3.7814 4.1492 4.1492 4.2964 4.2964 4.8879 4.8879 4.9510 4.9510 5.4052 5.4052 5.5943 5.5943 5.7654 5.7654 6.2480 6.2480 6.3870 6.3870 6.5105 6.5105 6.5413 6.5413 6.8716 6.8716 6.9164 6.9164 7.0264 7.0264 7.3064 7.3064 7.8410 7.8410 8.0455 8.0455 8.2145 8.2145 8.5214 8.5214 8.8275 8.8275 9.3043 9.3043 9.4375 9.4375 10.1036 10.1036 10.1913 10.1913 k = 0.2503 0.7728-0.0000 ( 11288 PWs) bands (ev): -0.8179 -0.8179 -0.6685 -0.6685 -0.4942 -0.4942 -0.4181 -0.4181 -0.1599 -0.1599 -0.0464 -0.0464 3.4543 3.4543 3.7780 3.7780 4.1409 4.1409 4.3019 4.3019 4.8657 4.8657 4.9380 4.9380 5.4208 5.4208 5.5928 5.5928 5.7616 5.7616 6.2428 6.2428 6.3961 6.3961 6.5095 6.5095 6.5535 6.5535 6.8583 6.8583 6.9017 6.9017 7.0214 7.0214 7.2997 7.2997 7.8503 7.8503 8.0328 8.0328 8.2274 8.2274 8.5161 8.5161 8.7987 8.7987 9.3053 9.3053 9.4574 9.4574 10.1069 10.1069 10.2131 10.2131 k = 0.2336 0.7728-0.0000 ( 11284 PWs) bands (ev): -0.8320 -0.8320 -0.6821 -0.6821 -0.4806 -0.4806 -0.4167 -0.4167 -0.1497 -0.1497 -0.0215 -0.0215 3.4620 3.4620 3.7793 3.7793 4.1286 4.1286 4.3140 4.3140 4.8400 4.8400 4.9199 4.9199 5.4332 5.4332 5.5907 5.5907 5.7593 5.7593 6.2368 6.2368 6.4041 6.4041 6.5070 6.5070 6.5698 6.5698 6.8424 6.8424 6.8854 6.8854 7.0182 7.0182 7.2936 7.2936 7.8581 7.8581 8.0199 8.0199 8.2429 8.2429 8.5086 8.5086 8.7609 8.7609 9.3187 9.3187 9.4852 9.4852 10.1101 10.1101 10.2410 10.2410 k = 0.2169 0.7728-0.0000 ( 11273 PWs) bands (ev): -0.8470 -0.8470 -0.6966 -0.6966 -0.4684 -0.4684 -0.4158 -0.4158 -0.1384 -0.1384 0.0037 0.0037 3.4745 3.4745 3.7853 3.7853 4.1143 4.1143 4.3304 4.3304 4.8111 4.8111 4.8970 4.8970 5.4427 5.4427 5.5873 5.5873 5.7586 5.7586 6.2306 6.2306 6.4087 6.4087 6.5047 6.5047 6.5886 6.5886 6.8249 6.8249 6.8703 6.8703 7.0154 7.0154 7.2875 7.2875 7.8636 7.8636 8.0085 8.0085 8.2597 8.2597 8.4991 8.4991 8.7173 8.7173 9.3417 9.3417 9.5199 9.5199 10.1132 10.1132 10.2739 10.2739 k = 0.2002 0.7728-0.0000 ( 11271 PWs) bands (ev): -0.8621 -0.8621 -0.7113 -0.7113 -0.4577 -0.4577 -0.4153 -0.4153 -0.1265 -0.1265 0.0287 0.0287 3.4917 3.4917 3.7960 3.7960 4.0994 4.0994 4.3492 4.3492 4.7792 4.7792 4.8700 4.8700 5.4495 5.4495 5.5824 5.5824 5.7596 5.7596 6.2247 6.2247 6.4084 6.4084 6.5032 6.5032 6.6080 6.6080 6.8069 6.8069 6.8601 6.8601 7.0120 7.0120 7.2810 7.2810 7.8664 7.8664 7.9998 7.9998 8.2767 8.2767 8.4878 8.4878 8.6710 8.6710 9.3717 9.3717 9.5603 9.5603 10.1163 10.1163 10.3105 10.3105 k = 0.1836 0.7728-0.0000 ( 11267 PWs) bands (ev): -0.8770 -0.8770 -0.7260 -0.7260 -0.4487 -0.4487 -0.4151 -0.4151 -0.1143 -0.1143 0.0528 0.0528 3.5133 3.5133 3.8111 3.8111 4.0847 4.0847 4.3690 4.3690 4.7445 4.7445 4.8396 4.8396 5.4537 5.4537 5.5759 5.5759 5.7621 5.7621 6.2192 6.2192 6.4027 6.4027 6.5028 6.5028 6.6254 6.6254 6.7901 6.7901 6.8569 6.8569 7.0077 7.0077 7.2734 7.2734 7.8666 7.8666 7.9944 7.9944 8.2930 8.2930 8.4747 8.4747 8.6244 8.6244 9.4071 9.4071 9.6051 9.6051 10.1194 10.1194 10.3491 10.3491 k = 0.1669 0.7728-0.0000 ( 11282 PWs) bands (ev): -0.8912 -0.8912 -0.7401 -0.7401 -0.4415 -0.4415 -0.4151 -0.4151 -0.1021 -0.1021 0.0756 0.0756 3.5390 3.5390 3.8307 3.8307 4.0707 4.0707 4.3883 4.3883 4.7072 4.7072 4.8069 4.8069 5.4556 5.4556 5.5680 5.5680 5.7657 5.7657 6.2144 6.2144 6.3926 6.3926 6.5026 6.5026 6.6375 6.6375 6.7778 6.7778 6.8616 6.8616 7.0022 7.0022 7.2646 7.2646 7.8647 7.8647 7.9920 7.9920 8.3083 8.3083 8.4599 8.4599 8.5793 8.5793 9.4463 9.4463 9.6527 9.6527 10.1228 10.1228 10.3873 10.3873 k = 0.1502 0.7728-0.0000 ( 11284 PWs) bands (ev): -0.9045 -0.9045 -0.7534 -0.7534 -0.4358 -0.4358 -0.4151 -0.4151 -0.0903 -0.0903 0.0969 0.0969 3.5686 3.5686 3.8543 3.8543 4.0576 4.0576 4.4059 4.4059 4.6675 4.6675 4.7731 4.7731 5.4552 5.4552 5.5593 5.5593 5.7699 5.7699 6.2104 6.2104 6.3794 6.3794 6.5022 6.5022 6.6415 6.6415 6.7732 6.7732 6.8736 6.8736 6.9958 6.9958 7.2542 7.2542 7.8618 7.8618 7.9917 7.9917 8.3222 8.3222 8.4430 8.4430 8.5377 8.5377 9.4883 9.4883 9.7017 9.7017 10.1265 10.1265 10.4223 10.4223 k = 0.1335 0.7728-0.0000 ( 11286 PWs) bands (ev): -0.9168 -0.9168 -0.7658 -0.7658 -0.4316 -0.4316 -0.4151 -0.4151 -0.0792 -0.0792 0.1163 0.1163 3.6015 3.6015 3.8817 3.8817 4.0460 4.0460 4.4199 4.4199 4.6256 4.6256 4.7401 4.7401 5.4527 5.4527 5.5502 5.5502 5.7745 5.7745 6.2075 6.2075 6.3644 6.3644 6.5013 6.5013 6.6370 6.6370 6.7770 6.7770 6.8913 6.8913 6.9887 6.9887 7.2422 7.2422 7.8587 7.8587 7.9926 7.9926 8.3345 8.3345 8.4235 8.4235 8.5014 8.5014 9.5323 9.5323 9.7503 9.7503 10.1307 10.1307 10.4506 10.4506 k = 0.1168 0.7728-0.0000 ( 11266 PWs) bands (ev): -0.9278 -0.9278 -0.7769 -0.7769 -0.4287 -0.4287 -0.4149 -0.4149 -0.0689 -0.0689 0.1338 0.1338 3.6372 3.6372 3.9119 3.9119 4.0362 4.0362 4.4281 4.4281 4.5819 4.5819 4.7104 4.7104 5.4484 5.4484 5.5413 5.5413 5.7789 5.7789 6.2056 6.2056 6.3487 6.3487 6.4998 6.4998 6.6270 6.6270 6.7872 6.7872 6.9124 6.9124 6.9819 6.9819 7.2285 7.2285 7.8561 7.8561 7.9939 7.9939 8.3451 8.3451 8.4005 8.4005 8.4722 8.4722 9.5772 9.5772 9.7970 9.7970 10.1352 10.1352 10.4687 10.4687 k = 0.1001 0.7728-0.0000 ( 11262 PWs) bands (ev): -0.9376 -0.9376 -0.7868 -0.7868 -0.4269 -0.4269 -0.4145 -0.4145 -0.0597 -0.0597 0.1490 0.1490 3.6748 3.6748 3.9431 3.9431 4.0298 4.0298 4.4282 4.4282 4.5366 4.5366 4.6866 4.6866 5.4427 5.4427 5.5330 5.5330 5.7829 5.7829 6.2047 6.2047 6.3333 6.3333 6.4980 6.4980 6.6149 6.6149 6.8008 6.8008 6.9333 6.9333 6.9774 6.9774 7.2133 7.2133 7.8544 7.8544 7.9951 7.9951 8.3538 8.3538 8.3753 8.3753 8.4504 8.4504 9.6220 9.6220 9.8403 9.8403 10.1399 10.1399 10.4743 10.4743 k = 0.0834 0.7728-0.0000 ( 11262 PWs) bands (ev): -0.9460 -0.9460 -0.7953 -0.7953 -0.4261 -0.4261 -0.4138 -0.4138 -0.0518 -0.0518 0.1621 0.1621 3.7134 3.7134 3.9690 3.9690 4.0327 4.0327 4.4186 4.4186 4.4905 4.4905 4.6708 4.6708 5.4361 5.4361 5.5256 5.5256 5.7865 5.7865 6.2048 6.2048 6.3188 6.3188 6.4962 6.4962 6.6027 6.6027 6.8158 6.8158 6.9465 6.9465 6.9814 6.9814 7.1968 7.1968 7.8536 7.8536 7.9960 7.9960 8.3484 8.3484 8.3624 8.3624 8.4343 8.4343 9.6655 9.6655 9.8789 9.8789 10.1446 10.1446 10.4678 10.4678 k = 0.0667 0.7728-0.0000 ( 11258 PWs) bands (ev): -0.9529 -0.9529 -0.8024 -0.8024 -0.4257 -0.4257 -0.4131 -0.4131 -0.0452 -0.0452 0.1728 0.1728 3.7517 3.7517 3.9786 3.9786 4.0551 4.0551 4.3991 4.3991 4.4451 4.4451 4.6629 4.6629 5.4294 5.4294 5.5194 5.5194 5.7895 5.7895 6.2056 6.2056 6.3059 6.3059 6.4945 6.4945 6.5917 6.5917 6.8306 6.8306 6.9471 6.9471 6.9981 6.9981 7.1795 7.1795 7.8535 7.8535 7.9965 7.9965 8.3255 8.3255 8.3675 8.3675 8.4224 8.4224 9.7059 9.7059 9.9117 9.9117 10.1490 10.1490 10.4530 10.4530 k = 0.0501 0.7728-0.0000 ( 11246 PWs) bands (ev): -0.9583 -0.9583 -0.8079 -0.8079 -0.4257 -0.4257 -0.4125 -0.4125 -0.0399 -0.0399 0.1812 0.1812 3.7878 3.7878 3.9758 3.9758 4.0925 4.0925 4.3691 4.3691 4.4054 4.4054 4.6606 4.6606 5.4232 5.4232 5.5145 5.5145 5.7918 5.7918 6.2070 6.2070 6.2950 6.2950 6.4932 6.4932 6.5826 6.5826 6.8440 6.8440 6.9435 6.9435 7.0185 7.0185 7.1619 7.1619 7.8540 7.8540 7.9966 7.9966 8.3061 8.3061 8.3715 8.3715 8.4138 8.4138 9.7414 9.7414 9.9380 9.9380 10.1527 10.1527 10.4344 10.4344 k = 0.0334 0.7728-0.0000 ( 11249 PWs) bands (ev): -0.9623 -0.9623 -0.8119 -0.8119 -0.4258 -0.4258 -0.4121 -0.4121 -0.0362 -0.0362 0.1873 0.1873 3.8193 3.8193 3.9688 3.9688 4.1363 4.1363 4.3275 4.3275 4.3776 4.3776 4.6612 4.6612 5.4183 5.4183 5.5108 5.5108 5.7934 5.7934 6.2085 6.2085 6.2867 6.2867 6.4923 6.4923 6.5758 6.5758 6.8548 6.8548 6.9399 6.9399 7.0378 7.0378 7.1450 7.1450 7.8546 7.8546 7.9966 7.9966 8.2916 8.2916 8.3742 8.3742 8.4079 8.4079 9.7696 9.7696 9.9572 9.9572 10.1555 10.1555 10.4169 10.4169 k = 0.0167 0.7728-0.0000 ( 11250 PWs) bands (ev): -0.9646 -0.9646 -0.8143 -0.8143 -0.4259 -0.4259 -0.4118 -0.4118 -0.0339 -0.0339 0.1909 0.1909 3.8421 3.8421 3.9617 3.9617 4.1830 4.1830 4.2802 4.2802 4.3611 4.3611 4.6624 4.6624 5.4151 5.4151 5.5087 5.5087 5.7944 5.7944 6.2098 6.2098 6.2814 6.2814 6.4917 6.4917 6.5716 6.5716 6.8618 6.8618 6.9374 6.9374 7.0531 7.0531 7.1311 7.1311 7.8551 7.8551 7.9964 7.9964 8.2827 8.2827 8.3755 8.3755 8.4047 8.4047 9.7879 9.7879 9.9688 9.9688 10.1572 10.1572 10.4045 10.4045 k = 0.0000 0.7728-0.0000 ( 11250 PWs) bands (ev): -0.9654 -0.9654 -0.8151 -0.8151 -0.4259 -0.4259 -0.4117 -0.4117 -0.0332 -0.0332 0.1921 0.1921 3.8508 3.8508 3.9585 3.9585 4.2280 4.2280 4.2348 4.2348 4.3554 4.3554 4.6629 4.6629 5.4140 5.4140 5.5079 5.5079 5.7947 5.7947 6.2103 6.2103 6.2795 6.2795 6.4915 6.4915 6.5702 6.5702 6.8643 6.8643 6.9365 6.9365 7.0595 7.0595 7.1251 7.1251 7.8553 7.8553 7.9964 7.9964 8.2797 8.2797 8.3760 8.3760 8.4036 8.4036 9.7943 9.7943 9.9727 9.9727 10.1578 10.1578 10.4000 10.4000 k = 0.0000 0.7728-0.0000 ( 11250 PWs) bands (ev): -0.9654 -0.9654 -0.8151 -0.8151 -0.4259 -0.4259 -0.4117 -0.4117 -0.0332 -0.0332 0.1921 0.1921 3.8508 3.8508 3.9585 3.9585 4.2280 4.2280 4.2348 4.2348 4.3554 4.3554 4.6629 4.6629 5.4140 5.4140 5.5079 5.5079 5.7947 5.7947 6.2103 6.2103 6.2795 6.2795 6.4915 6.4915 6.5702 6.5702 6.8643 6.8643 6.9365 6.9365 7.0595 7.0595 7.1251 7.1251 7.8553 7.8553 7.9964 7.9964 8.2797 8.2797 8.3760 8.3760 8.4036 8.4036 9.7943 9.7943 9.9727 9.9727 10.1578 10.1578 10.4000 10.4000 k = 0.0000 0.7728 0.0165 ( 11256 PWs) bands (ev): -0.9649 -0.9649 -0.8159 -0.8159 -0.4258 -0.4258 -0.4118 -0.4118 -0.0320 -0.0320 0.1912 0.1912 3.8512 3.8512 3.9593 3.9593 4.2191 4.2191 4.2384 4.2384 4.3607 4.3607 4.6604 4.6604 5.4161 5.4161 5.5082 5.5082 5.7955 5.7955 6.2087 6.2087 6.2827 6.2827 6.4903 6.4903 6.5693 6.5693 6.8448 6.8448 6.9518 6.9518 7.0594 7.0594 7.1298 7.1298 7.8526 7.8526 7.9972 7.9972 8.2741 8.2741 8.3800 8.3800 8.4045 8.4045 9.7971 9.7971 9.9737 9.9737 10.1579 10.1579 10.3988 10.3988 k = 0.0000 0.7728 0.0330 ( 11254 PWs) bands (ev): -0.9633 -0.9633 -0.8184 -0.8184 -0.4256 -0.4256 -0.4119 -0.4119 -0.0287 -0.0287 0.1887 0.1887 3.8526 3.8526 3.9614 3.9614 4.2030 4.2030 4.2408 4.2408 4.3744 4.3744 4.6531 4.6531 5.4219 5.4219 5.5095 5.5095 5.7980 5.7980 6.2049 6.2049 6.2915 6.2915 6.4866 6.4866 6.5664 6.5664 6.8062 6.8062 6.9781 6.9781 7.0597 7.0597 7.1432 7.1432 7.8443 7.8443 7.9994 7.9994 8.2599 8.2599 8.3893 8.3893 8.4075 8.4075 9.8055 9.8055 9.9767 9.9767 10.1583 10.1583 10.3947 10.3947 k = 0.0000 0.7728 0.0496 ( 11258 PWs) bands (ev): -0.9607 -0.9607 -0.8223 -0.8223 -0.4253 -0.4253 -0.4122 -0.4122 -0.0232 -0.0232 0.1845 0.1845 3.8550 3.8550 3.9646 3.9646 4.1842 4.1842 4.2412 4.2412 4.3927 4.3927 4.6420 4.6420 5.4296 5.4296 5.5125 5.5125 5.8028 5.8028 6.2003 6.2003 6.3038 6.3038 6.4809 6.4809 6.5615 6.5615 6.7615 6.7615 7.0026 7.0026 7.0609 7.0609 7.1644 7.1644 7.8307 7.8307 8.0031 8.0031 8.2412 8.2412 8.3989 8.3989 8.4137 8.4137 9.8193 9.8193 9.9818 9.9818 10.1587 10.1587 10.3873 10.3873 k = 0.0000 0.7728 0.0661 ( 11270 PWs) bands (ev): -0.9571 -0.9571 -0.8277 -0.8277 -0.4249 -0.4249 -0.4126 -0.4126 -0.0158 -0.0158 0.1786 0.1786 3.8584 3.8584 3.9683 3.9683 4.1652 4.1652 4.2402 4.2402 4.4125 4.4125 4.6282 4.6282 5.4371 5.4371 5.5177 5.5177 5.8110 5.8110 6.1958 6.1958 6.3183 6.3183 6.4734 6.4734 6.5545 6.5545 6.7144 6.7144 7.0230 7.0230 7.0635 7.0635 7.1921 7.1921 7.8118 7.8118 8.0080 8.0080 8.2207 8.2207 8.4062 8.4062 8.4229 8.4229 9.8384 9.8384 9.9891 9.9891 10.1589 10.1589 10.3760 10.3760 k = 0.0000 0.7728 0.0826 ( 11278 PWs) bands (ev): -0.9525 -0.9525 -0.8342 -0.8342 -0.4243 -0.4243 -0.4131 -0.4131 -0.0066 -0.0066 0.1712 0.1712 3.8629 3.8629 3.9718 3.9718 4.1480 4.1480 4.2375 4.2375 4.4322 4.4322 4.6130 4.6130 5.4430 5.4430 5.5242 5.5242 5.8241 5.8241 6.1916 6.1916 6.3338 6.3338 6.4648 6.4648 6.5451 6.5451 6.6670 6.6670 7.0393 7.0393 7.0675 7.0675 7.2249 7.2249 7.7879 7.7879 8.0140 8.0140 8.1999 8.1999 8.4123 8.4123 8.4327 8.4327 9.8622 9.8622 9.9987 9.9987 10.1586 10.1586 10.3599 10.3599 k = 0.0000 0.7728 0.0991 ( 11276 PWs) bands (ev): -0.9470 -0.9470 -0.8419 -0.8419 -0.4237 -0.4237 -0.4137 -0.4137 0.0042 0.0042 0.1624 0.1624 3.8685 3.8685 3.9738 3.9738 4.1344 4.1344 4.2330 4.2330 4.4509 4.4509 4.5976 4.5976 5.4477 5.4477 5.5300 5.5300 5.8434 5.8434 6.1871 6.1871 6.3494 6.3494 6.4558 6.4558 6.5326 6.5326 6.6215 6.6215 7.0523 7.0523 7.0725 7.0725 7.2615 7.2615 7.7593 7.7593 8.0209 8.0209 8.1795 8.1795 8.4183 8.4183 8.4412 8.4412 9.8905 9.8905 10.0105 10.0105 10.1573 10.1573 10.3388 10.3388 k = 0.0000 0.7728 0.1156 ( 11270 PWs) bands (ev): -0.9406 -0.9406 -0.8504 -0.8504 -0.4230 -0.4230 -0.4144 -0.4144 0.0163 0.0163 0.1523 0.1523 3.8753 3.8753 3.9731 3.9731 4.1260 4.1260 4.2262 4.2262 4.4678 4.4678 4.5830 4.5830 5.4523 5.4523 5.5327 5.5327 5.8697 5.8697 6.1811 6.1811 6.3641 6.3641 6.4473 6.4473 6.5154 6.5154 6.5818 6.5818 7.0626 7.0626 7.0779 7.0779 7.3010 7.3010 7.7265 7.7265 8.0287 8.0287 8.1600 8.1600 8.4245 8.4245 8.4478 8.4478 9.9227 9.9227 10.0244 10.0244 10.1546 10.1546 10.3127 10.3127 k = 0.0000 0.7728 0.1322 ( 11280 PWs) bands (ev): -0.9334 -0.9334 -0.8595 -0.8595 -0.4222 -0.4222 -0.4151 -0.4151 0.0294 0.0294 0.1409 0.1409 3.8833 3.8833 3.9686 3.9686 4.1239 4.1239 4.2171 4.2171 4.4829 4.4829 4.5697 4.5697 5.4577 5.4577 5.5312 5.5312 5.9029 5.9029 6.1720 6.1720 6.3764 6.3764 6.4401 6.4401 6.4927 6.4927 6.5516 6.5516 7.0711 7.0711 7.0828 7.0828 7.3426 7.3426 7.6900 7.6900 8.0373 8.0373 8.1417 8.1417 8.4307 8.4307 8.4523 8.4523 9.9582 9.9582 10.0398 10.0398 10.1501 10.1501 10.2820 10.2820 k = 0.0000 0.7728 0.1487 ( 11276 PWs) bands (ev): -0.9255 -0.9255 -0.8690 -0.8690 -0.4213 -0.4213 -0.4160 -0.4160 0.0433 0.0433 0.1286 0.1286 3.8924 3.8924 3.9607 3.9607 4.1279 4.1279 4.2057 4.2057 4.4962 4.4962 4.5579 4.5579 5.4647 5.4647 5.5256 5.5256 5.9415 5.9415 6.1575 6.1575 6.3847 6.3847 6.4329 6.4329 6.4718 6.4718 6.5301 6.5301 7.0779 7.0779 7.0868 7.0868 7.3858 7.3858 7.6505 7.6505 8.0467 8.0467 8.1246 8.1246 8.4368 8.4368 8.4548 8.4548 9.9960 9.9960 10.0562 10.0562 10.1436 10.1436 10.2473 10.2473 k = 0.0000 0.7728 0.1652 ( 11282 PWs) bands (ev): -0.9170 -0.9170 -0.8788 -0.8788 -0.4204 -0.4204 -0.4168 -0.4168 0.0577 0.0577 0.1153 0.1153 3.9027 3.9027 3.9501 3.9501 4.1368 4.1368 4.1925 4.1925 4.5079 4.5079 4.5474 4.5474 5.4734 5.4734 5.5169 5.5169 5.9836 5.9836 6.1356 6.1356 6.3889 6.3889 6.4203 6.4203 6.4655 6.4655 6.5130 6.5130 7.0833 7.0833 7.0894 7.0894 7.4302 7.4302 7.6086 7.6086 8.0570 8.0570 8.1087 8.1087 8.4424 8.4424 8.4553 8.4553 10.0351 10.0351 10.0730 10.0730 10.1352 10.1352 10.2099 10.2099 k = 0.0000 0.7728 0.1817 ( 11278 PWs) bands (ev): -0.9079 -0.9079 -0.8887 -0.8887 -0.4195 -0.4195 -0.4177 -0.4177 0.0724 0.0724 0.1014 0.1014 3.9139 3.9139 3.9382 3.9382 4.1490 4.1490 4.1780 4.1780 4.5184 4.5184 4.5377 4.5377 5.4835 5.4835 5.5062 5.5062 6.0268 6.0268 6.1055 6.1055 6.3918 6.3918 6.4063 6.4063 6.4721 6.4721 6.4978 6.4978 7.0873 7.0873 7.0903 7.0903 7.4752 7.4752 7.5650 7.5650 8.0683 8.0683 8.0941 8.0941 8.4474 8.4474 8.4540 8.4540 10.0720 10.0720 10.0889 10.0889 10.1271 10.1271 10.1712 10.1712 k = 0.0000 0.7728 0.1982 ( 11276 PWs) bands (ev): -0.8986 -0.8986 -0.8983 -0.8983 -0.4186 -0.4186 -0.4186 -0.4186 0.0869 0.0869 0.0872 0.0872 3.9259 3.9259 3.9260 3.9260 4.1631 4.1631 4.1633 4.1633 4.5282 4.5282 4.5282 4.5282 5.4947 5.4947 5.4948 5.4948 6.0684 6.0684 6.0684 6.0684 6.3968 6.3968 6.3968 6.3968 6.4839 6.4839 6.4840 6.4840 7.0896 7.0896 7.0897 7.0897 7.5202 7.5202 7.5204 7.5204 8.0806 8.0806 8.0807 8.0807 8.4512 8.4512 8.4514 8.4514 10.0940 10.0940 10.0941 10.0941 10.1366 10.1366 10.1367 10.1367 k = 0.0000 0.7728 0.1982 ( 11276 PWs) bands (ev): -0.8986 -0.8986 -0.8983 -0.8983 -0.4186 -0.4186 -0.4186 -0.4186 0.0869 0.0869 0.0872 0.0872 3.9259 3.9259 3.9260 3.9260 4.1631 4.1631 4.1633 4.1633 4.5282 4.5282 4.5282 4.5282 5.4947 5.4947 5.4948 5.4948 6.0684 6.0684 6.0684 6.0684 6.3968 6.3968 6.3968 6.3968 6.4839 6.4839 6.4840 6.4840 7.0896 7.0896 7.0897 7.0897 7.5202 7.5202 7.5204 7.5204 8.0806 8.0806 8.0807 8.0807 8.4512 8.4512 8.4514 8.4514 10.0940 10.0940 10.0941 10.0941 10.1366 10.1366 10.1367 10.1367 k = 0.0167 0.7728 0.1982 ( 11274 PWs) bands (ev): -0.8978 -0.8978 -0.8975 -0.8975 -0.4189 -0.4189 -0.4183 -0.4183 0.0859 0.0859 0.0862 0.0862 3.9187 3.9187 3.9215 3.9215 4.1641 4.1641 4.1644 4.1644 4.5287 4.5287 4.5389 4.5389 5.4889 5.4889 5.5000 5.5000 6.0643 6.0643 6.0722 6.0722 6.3907 6.3907 6.4013 6.4013 6.4779 6.4779 6.4957 6.4957 7.0878 7.0878 7.0889 7.0889 7.5188 7.5188 7.5212 7.5212 8.0808 8.0808 8.0813 8.0813 8.4524 8.4524 8.4530 8.4530 10.0792 10.0792 10.0971 10.0971 10.1262 10.1262 10.1490 10.1490 k = 0.0334 0.7728 0.1982 ( 11268 PWs) bands (ev): -0.8955 -0.8955 -0.8951 -0.8951 -0.4193 -0.4193 -0.4180 -0.4180 0.0829 0.0829 0.0833 0.0833 3.9012 3.9012 3.9061 3.9061 4.1662 4.1662 4.1674 4.1674 4.5405 4.5405 4.5599 4.5599 5.4823 5.4823 5.5046 5.5046 6.0600 6.0600 6.0755 6.0755 6.3844 6.3844 6.4028 6.4028 6.4791 6.4791 6.5120 6.5120 7.0836 7.0836 7.0857 7.0857 7.5168 7.5168 7.5217 7.5217 8.0818 8.0818 8.0828 8.0828 8.4562 8.4562 8.4574 8.4574 10.0579 10.0579 10.0806 10.0806 10.1254 10.1254 10.1580 10.1580 k = 0.0501 0.7728 0.1982 ( 11270 PWs) bands (ev): -0.8916 -0.8916 -0.8912 -0.8912 -0.4197 -0.4197 -0.4178 -0.4178 0.0779 0.0779 0.0784 0.0784 3.8762 3.8762 3.8821 3.8821 4.1674 4.1674 4.1727 4.1727 4.5621 4.5621 4.5890 4.5890 5.4751 5.4751 5.5086 5.5086 6.0557 6.0557 6.0783 6.0783 6.3785 6.3785 6.4011 6.4011 6.4877 6.4877 6.5317 6.5317 7.0771 7.0771 7.0802 7.0802 7.5142 7.5142 7.5217 7.5217 8.0834 8.0834 8.0848 8.0848 8.4627 8.4627 8.4645 8.4645 10.0315 10.0315 10.0535 10.0535 10.1265 10.1265 10.1628 10.1628 k = 0.0667 0.7728 0.1982 ( 11286 PWs) bands (ev): -0.8862 -0.8862 -0.8858 -0.8858 -0.4202 -0.4202 -0.4177 -0.4177 0.0711 0.0711 0.0717 0.0717 3.8463 3.8463 3.8526 3.8526 4.1675 4.1675 4.1789 4.1789 4.5915 4.5915 4.6243 4.6243 5.4675 5.4675 5.5121 5.5121 6.0514 6.0514 6.0803 6.0803 6.3731 6.3731 6.3974 6.3974 6.5023 6.5023 6.5545 6.5545 7.0686 7.0686 7.0726 7.0726 7.5113 7.5113 7.5216 7.5216 8.0850 8.0850 8.0870 8.0870 8.4720 8.4720 8.4744 8.4744 10.0009 10.0009 10.0212 10.0212 10.1250 10.1250 10.1636 10.1636 k = 0.0834 0.7728 0.1982 ( 11290 PWs) bands (ev): -0.8794 -0.8794 -0.8789 -0.8789 -0.4207 -0.4207 -0.4177 -0.4177 0.0623 0.0623 0.0630 0.0630 3.8138 3.8138 3.8202 3.8202 4.1663 4.1663 4.1853 4.1853 4.6263 4.6263 4.6637 4.6637 5.4596 5.4596 5.5154 5.5154 6.0471 6.0471 6.0815 6.0815 6.3683 6.3683 6.3929 6.3929 6.5213 6.5213 6.5799 6.5799 7.0585 7.0585 7.0634 7.0634 7.5082 7.5082 7.5216 7.5216 8.0863 8.0863 8.0888 8.0888 8.4839 8.4839 8.4869 8.4869 9.9668 9.9668 9.9853 9.9853 10.1206 10.1206 10.1610 10.1610 k = 0.1001 0.7728 0.1982 ( 11302 PWs) bands (ev): -0.8711 -0.8711 -0.8706 -0.8706 -0.4215 -0.4215 -0.4179 -0.4179 0.0517 0.0517 0.0525 0.0525 3.7804 3.7804 3.7868 3.7868 4.1643 4.1643 4.1915 4.1915 4.6645 4.6645 4.7054 4.7054 5.4515 5.4515 5.5183 5.5183 6.0429 6.0429 6.0817 6.0817 6.3640 6.3640 6.3883 6.3883 6.5435 6.5435 6.6076 6.6076 7.0473 7.0473 7.0527 7.0527 7.5051 7.5051 7.5217 7.5217 8.0869 8.0869 8.0900 8.0900 8.4982 8.4982 8.5019 8.5019 9.9303 9.9303 9.9471 9.9471 10.1137 10.1137 10.1554 10.1554 k = 0.1168 0.7728 0.1982 ( 11300 PWs) bands (ev): -0.8614 -0.8614 -0.8609 -0.8609 -0.4225 -0.4225 -0.4185 -0.4185 0.0393 0.0393 0.0403 0.0403 3.7477 3.7477 3.7539 3.7539 4.1616 4.1616 4.1974 4.1974 4.7042 4.7042 4.7482 4.7482 5.4434 5.4434 5.5212 5.5212 6.0385 6.0385 6.0808 6.0808 6.3601 6.3601 6.3838 6.3838 6.5680 6.5680 6.6371 6.6371 7.0354 7.0354 7.0412 7.0412 7.5022 7.5022 7.5224 7.5224 8.0865 8.0865 8.0901 8.0901 8.5148 8.5148 8.5192 8.5192 9.8922 9.8922 9.9075 9.9075 10.1047 10.1047 10.1475 10.1475 k = 0.1335 0.7728 0.1982 ( 11298 PWs) bands (ev): -0.8505 -0.8505 -0.8500 -0.8500 -0.4239 -0.4239 -0.4195 -0.4195 0.0253 0.0253 0.0265 0.0265 3.7166 3.7166 3.7228 3.7228 4.1587 4.1587 4.2028 4.2028 4.7441 4.7441 4.7907 4.7907 5.4356 5.4356 5.5240 5.5240 6.0339 6.0339 6.0789 6.0789 6.3565 6.3565 6.3795 6.3795 6.5942 6.5942 6.6680 6.6680 7.0234 7.0234 7.0292 7.0292 7.4997 7.4997 7.5236 7.5236 8.0847 8.0847 8.0890 8.0890 8.5332 8.5332 8.5384 8.5384 9.8536 9.8536 9.8676 9.8676 10.0942 10.0942 10.1378 10.1378 k = 0.1502 0.7728 0.1982 ( 11290 PWs) bands (ev): -0.8385 -0.8385 -0.8379 -0.8379 -0.4257 -0.4257 -0.4210 -0.4210 0.0097 0.0097 0.0112 0.0112 3.6879 3.6879 3.6941 3.6941 4.1556 4.1556 4.2078 4.2078 4.7834 4.7834 4.8321 4.8321 5.4280 5.4280 5.5268 5.5268 6.0291 6.0291 6.0759 6.0759 6.3532 6.3532 6.3752 6.3752 6.6212 6.6212 6.6996 6.6996 7.0118 7.0118 7.0173 7.0173 7.4978 7.4978 7.5256 7.5256 8.0816 8.0816 8.0864 8.0864 8.5530 8.5530 8.5589 8.5589 9.8154 9.8154 9.8283 9.8283 10.0827 10.0827 10.1270 10.1270 k = 0.1669 0.7728 0.1982 ( 11296 PWs) bands (ev): -0.8255 -0.8255 -0.8248 -0.8248 -0.4282 -0.4282 -0.4231 -0.4231 -0.0071 -0.0071 -0.0053 -0.0053 3.6623 3.6623 3.6686 3.6686 4.1526 4.1526 4.2124 4.2124 4.8211 4.8211 4.8716 4.8716 5.4209 5.4209 5.5296 5.5296 6.0237 6.0237 6.0716 6.0716 6.3501 6.3501 6.3710 6.3710 6.6485 6.6485 6.7314 6.7314 7.0011 7.0011 7.0058 7.0058 7.4966 7.4966 7.5286 7.5286 8.0773 8.0773 8.0827 8.0827 8.5735 8.5735 8.5801 8.5801 9.7786 9.7786 9.7907 9.7907 10.0707 10.0707 10.1157 10.1157 k = 0.1836 0.7728 0.1982 ( 11296 PWs) bands (ev): -0.8117 -0.8117 -0.8110 -0.8110 -0.4313 -0.4313 -0.4261 -0.4261 -0.0249 -0.0249 -0.0228 -0.0228 3.6403 3.6403 3.6466 3.6466 4.1498 4.1498 4.2165 4.2165 4.8567 4.8567 4.9087 4.9087 5.4144 5.4144 5.5324 5.5324 6.0176 6.0176 6.0661 6.0661 6.3473 6.3473 6.3667 6.3667 6.6751 6.6751 6.7626 6.7626 6.9917 6.9917 6.9953 6.9953 7.4964 7.4964 7.5325 7.5325 8.0720 8.0720 8.0778 8.0778 8.5939 8.5939 8.6012 8.6012 9.7442 9.7442 9.7558 9.7558 10.0590 10.0590 10.1044 10.1044 k = 0.2002 0.7728 0.1982 ( 11296 PWs) bands (ev): -0.7973 -0.7973 -0.7966 -0.7966 -0.4353 -0.4353 -0.4300 -0.4300 -0.0434 -0.0434 -0.0409 -0.0409 3.6222 3.6222 3.6286 3.6286 4.1473 4.1473 4.2204 4.2204 4.8897 4.8897 4.9429 4.9429 5.4085 5.4085 5.5354 5.5354 6.0107 6.0107 6.0593 6.0593 6.3448 6.3448 6.3624 6.3624 6.7002 6.7002 6.7921 6.7921 6.9839 6.9839 6.9859 6.9859 7.4974 7.4974 7.5376 7.5376 8.0660 8.0660 8.0722 8.0722 8.6136 8.6136 8.6215 8.6215 9.7131 9.7131 9.7245 9.7245 10.0480 10.0480 10.0939 10.0939 k = 0.2169 0.7728 0.1982 ( 11284 PWs) bands (ev): -0.7829 -0.7829 -0.7821 -0.7821 -0.4402 -0.4402 -0.4350 -0.4350 -0.0621 -0.0621 -0.0593 -0.0593 3.6083 3.6083 3.6149 3.6149 4.1453 4.1453 4.2239 4.2239 4.9197 4.9197 4.9737 4.9737 5.4034 5.4034 5.5384 5.5384 6.0028 6.0028 6.0512 6.0512 6.3428 6.3428 6.3582 6.3582 6.7228 6.7228 6.8189 6.8189 6.9781 6.9781 6.9782 6.9782 7.4999 7.4999 7.5438 7.5438 8.0599 8.0599 8.0663 8.0663 8.6317 8.6317 8.6401 8.6401 9.6862 9.6862 9.6978 9.6978 10.0384 10.0384 10.0849 10.0849 k = 0.2336 0.7728 0.1982 ( 11288 PWs) bands (ev): -0.7687 -0.7687 -0.7679 -0.7679 -0.4461 -0.4461 -0.4410 -0.4410 -0.0806 -0.0806 -0.0773 -0.0773 3.5989 3.5989 3.6055 3.6055 4.1438 4.1438 4.2272 4.2272 4.9463 4.9463 5.0008 5.0008 5.3994 5.3994 5.5416 5.5416 5.9938 5.9938 6.0418 6.0418 6.3414 6.3414 6.3542 6.3542 6.7421 6.7421 6.8416 6.8416 6.9728 6.9728 6.9745 6.9745 7.5042 7.5042 7.5512 7.5512 8.0541 8.0541 8.0605 8.0605 8.6473 8.6473 8.6561 8.6561 9.6644 9.6644 9.6765 9.6765 10.0308 10.0308 10.0780 10.0780 k = 0.2503 0.7728 0.1982 ( 11296 PWs) bands (ev): -0.7555 -0.7555 -0.7547 -0.7547 -0.4529 -0.4529 -0.4480 -0.4480 -0.0983 -0.0983 -0.0945 -0.0945 3.5939 3.5939 3.6007 3.6007 4.1430 4.1430 4.2304 4.2304 4.9693 4.9693 5.0237 5.0237 5.3966 5.3966 5.5451 5.5451 5.9837 5.9837 6.0309 6.0309 6.3407 6.3407 6.3508 6.3508 6.7572 6.7572 6.8588 6.8588 6.9704 6.9704 6.9730 6.9730 7.5103 7.5103 7.5597 7.5597 8.0491 8.0491 8.0553 8.0553 8.6598 8.6598 8.6687 8.6687 9.6484 9.6484 9.6613 9.6613 10.0258 10.0258 10.0738 10.0738 k = 0.2670 0.7728 0.1982 ( 11296 PWs) bands (ev): -0.7441 -0.7441 -0.7433 -0.7433 -0.4604 -0.4604 -0.4557 -0.4557 -0.1145 -0.1145 -0.1103 -0.1103 3.5935 3.5935 3.6004 3.6004 4.1431 4.1431 4.2336 4.2336 4.9882 4.9882 5.0419 5.0419 5.3955 5.3955 5.5491 5.5491 5.9724 5.9724 6.0188 6.0188 6.3409 6.3409 6.3481 6.3481 6.7677 6.7677 6.8691 6.8691 6.9715 6.9715 6.9736 6.9736 7.5183 7.5183 7.5691 7.5691 8.0454 8.0454 8.0511 8.0511 8.6686 8.6686 8.6775 8.6775 9.6387 9.6387 9.6529 9.6529 10.0239 10.0239 10.0729 10.0729 k = 0.2837 0.7728 0.1982 ( 11298 PWs) bands (ev): -0.7357 -0.7357 -0.7350 -0.7350 -0.4679 -0.4679 -0.4634 -0.4634 -0.1287 -0.1287 -0.1241 -0.1241 3.5977 3.5977 3.6046 3.6046 4.1440 4.1440 4.2369 4.2369 5.0029 5.0029 5.0550 5.0550 5.3964 5.3964 5.5539 5.5539 5.9600 5.9600 6.0054 6.0054 6.3420 6.3420 6.3464 6.3464 6.7733 6.7733 6.8724 6.8724 6.9758 6.9758 6.9760 6.9760 7.5282 7.5282 7.5792 7.5792 8.0433 8.0433 8.0481 8.0481 8.6734 8.6734 8.6820 8.6820 9.6356 9.6356 9.6514 9.6514 10.0257 10.0257 10.0758 10.0758 k = 0.2837 0.7728 0.1982 ( 11298 PWs) bands (ev): -0.7357 -0.7357 -0.7350 -0.7350 -0.4679 -0.4679 -0.4634 -0.4634 -0.1287 -0.1287 -0.1241 -0.1241 3.5977 3.5977 3.6046 3.6046 4.1440 4.1440 4.2369 4.2369 5.0029 5.0029 5.0550 5.0550 5.3964 5.3964 5.5539 5.5539 5.9600 5.9600 6.0054 6.0054 6.3420 6.3420 6.3464 6.3464 6.7733 6.7733 6.8724 6.8724 6.9758 6.9758 6.9760 6.9760 7.5282 7.5282 7.5792 7.5792 8.0433 8.0433 8.0481 8.0481 8.6734 8.6734 8.6820 8.6820 9.6356 9.6356 9.6514 9.6514 10.0257 10.0257 10.0758 10.0758 k = 0.2776 0.7564 0.1982 ( 11286 PWs) bands (ev): -0.7577 -0.7577 -0.7568 -0.7568 -0.4482 -0.4482 -0.4431 -0.4431 -0.0878 -0.0878 -0.0843 -0.0843 3.5823 3.5823 3.5889 3.5889 4.1399 4.1399 4.2267 4.2267 4.9632 4.9632 5.0209 5.0209 5.3939 5.3939 5.5409 5.5409 5.9978 5.9978 6.0475 6.0475 6.3385 6.3385 6.3508 6.3508 6.7617 6.7617 6.8671 6.8671 6.9659 6.9659 6.9703 6.9703 7.4943 7.4943 7.5459 7.5459 8.0504 8.0504 8.0576 8.0576 8.6651 8.6651 8.6747 8.6747 9.6342 9.6342 9.6443 9.6443 10.0142 10.0142 10.0599 10.0599 k = 0.2716 0.7400 0.1982 ( 11294 PWs) bands (ev): -0.7843 -0.7843 -0.7832 -0.7832 -0.4336 -0.4336 -0.4281 -0.4281 -0.0442 -0.0442 -0.0417 -0.0417 3.5752 3.5752 3.5812 3.5812 4.1368 4.1368 4.2172 4.2172 4.9209 4.9209 4.9834 4.9834 5.3980 5.3980 5.5329 5.5329 6.0320 6.0320 6.0883 6.0883 6.3377 6.3377 6.3564 6.3564 6.7470 6.7470 6.8525 6.8525 6.9696 6.9696 6.9713 6.9713 7.4585 7.4585 7.5101 7.5101 8.0634 8.0634 8.0722 8.0722 8.6566 8.6566 8.6672 8.6672 9.6314 9.6314 9.6351 9.6351 10.0029 10.0029 10.0430 10.0430 k = 0.2656 0.7235 0.1982 ( 11282 PWs) bands (ev): -0.8153 -0.8153 -0.8140 -0.8140 -0.4239 -0.4239 -0.4181 -0.4181 0.0013 0.0013 0.0030 0.0030 3.5762 3.5762 3.5813 3.5813 4.1350 4.1350 4.2089 4.2089 4.8772 4.8772 4.9443 4.9443 5.4071 5.4071 5.5292 5.5292 6.0614 6.0614 6.1267 6.1267 6.3399 6.3399 6.3630 6.3630 6.7299 6.7299 6.8328 6.8328 6.9776 6.9776 6.9821 6.9821 7.4221 7.4221 7.4733 7.4733 8.0813 8.0813 8.0908 8.0908 8.6481 8.6481 8.6596 8.6596 9.6238 9.6238 9.6270 9.6270 9.9925 9.9925 10.0261 10.0261 k = 0.2595 0.7071 0.1982 ( 11274 PWs) bands (ev): -0.8504 -0.8504 -0.8490 -0.8490 -0.4189 -0.4189 -0.4130 -0.4130 0.0482 0.0482 0.0492 0.0492 3.5851 3.5851 3.5888 3.5888 4.1351 4.1351 4.2026 4.2026 4.8335 4.8335 4.9055 4.9055 5.4197 5.4197 5.5291 5.5291 6.0848 6.0848 6.1620 6.1620 6.3456 6.3456 6.3706 6.3706 6.7116 6.7116 6.8123 6.8123 6.9876 6.9876 6.9983 6.9983 7.3867 7.3867 7.4369 7.4369 8.1026 8.1026 8.1124 8.1124 8.6398 8.6398 8.6520 8.6520 9.6104 9.6104 9.6212 9.6212 9.9839 9.9839 10.0103 10.0103 k = 0.2535 0.6906 0.1982 ( 11270 PWs) bands (ev): -0.8894 -0.8894 -0.8878 -0.8878 -0.4181 -0.4181 -0.4123 -0.4123 0.0958 0.0958 0.0963 0.0963 3.6013 3.6013 3.6032 3.6032 4.1374 4.1374 4.1989 4.1989 4.7910 4.7910 4.8681 4.8681 5.4350 5.4350 5.5320 5.5320 6.1013 6.1013 6.1929 6.1929 6.3545 6.3545 6.3795 6.3795 6.6929 6.6929 6.7933 6.7933 6.9991 6.9991 7.0148 7.0148 7.3539 7.3539 7.4028 7.4028 8.1264 8.1264 8.1360 8.1360 8.6317 8.6317 8.6446 8.6446 9.5953 9.5953 9.6139 9.6139 9.9778 9.9778 9.9964 9.9964 k = 0.2475 0.6742 0.1982 ( 11262 PWs) bands (ev): -0.9319 -0.9319 -0.9303 -0.9303 -0.4212 -0.4212 -0.4155 -0.4155 0.1433 0.1433 0.1437 0.1437 3.6240 3.6240 3.6244 3.6244 4.1424 4.1424 4.1985 4.1985 4.7504 4.7504 4.8330 4.8330 5.4523 5.4523 5.5376 5.5376 6.1109 6.1109 6.2182 6.2182 6.3657 6.3657 6.3897 6.3897 6.6749 6.6749 6.7772 6.7772 7.0103 7.0103 7.0288 7.0288 7.3263 7.3263 7.3728 7.3728 8.1515 8.1515 8.1608 8.1608 8.6240 8.6240 8.6376 8.6376 9.5788 9.5788 9.6052 9.6052 9.9745 9.9745 9.9852 9.9852 k = 0.2414 0.6577 0.1982 ( 11272 PWs) bands (ev): -0.9778 -0.9778 -0.9760 -0.9760 -0.4277 -0.4277 -0.4223 -0.4223 0.1902 0.1902 0.1907 0.1907 3.6503 3.6503 3.6538 3.6538 4.1505 4.1505 4.2020 4.2020 4.7127 4.7127 4.8010 4.8010 5.4712 5.4712 5.5455 5.5455 6.1143 6.1143 6.2371 6.2371 6.3774 6.3774 6.4009 6.4009 6.6585 6.6585 6.7651 6.7651 7.0190 7.0190 7.0376 7.0376 7.3063 7.3063 7.3491 7.3491 8.1771 8.1771 8.1857 8.1857 8.6169 8.6169 8.6310 8.6310 9.5614 9.5614 9.5952 9.5952 9.9743 9.9743 9.9774 9.9774 k = 0.2354 0.6413 0.1982 ( 11272 PWs) bands (ev): -1.0266 -1.0266 -1.0248 -1.0248 -0.4373 -0.4373 -0.4322 -0.4322 0.2360 0.2360 0.2367 0.2367 3.6814 3.6814 3.6886 3.6886 4.1620 4.1620 4.2102 4.2102 4.6783 4.6783 4.7726 4.7726 5.4913 5.4913 5.5557 5.5557 6.1124 6.1124 6.2497 6.2497 6.3872 6.3872 6.4115 6.4115 6.6447 6.6447 6.7579 6.7579 7.0237 7.0237 7.0391 7.0391 7.2963 7.2963 7.3336 7.3336 8.2022 8.2022 8.2101 8.2101 8.6105 8.6105 8.6252 8.6252 9.5436 9.5436 9.5841 9.5841 9.9735 9.9735 9.9774 9.9774 k = 0.2294 0.6249 0.1982 ( 11260 PWs) bands (ev): -1.0780 -1.0780 -1.0762 -1.0762 -0.4498 -0.4498 -0.4451 -0.4451 0.2804 0.2804 0.2812 0.2812 3.7161 3.7161 3.7281 3.7281 4.1775 4.1775 4.2237 4.2237 4.6479 4.6479 4.7482 4.7482 5.5123 5.5123 5.5678 5.5678 6.1066 6.1066 6.2567 6.2567 6.3929 6.3929 6.4191 6.4191 6.6343 6.6343 6.7558 6.7558 7.0242 7.0242 7.0335 7.0335 7.2968 7.2968 7.3271 7.3271 8.2262 8.2262 8.2331 8.2331 8.6049 8.6049 8.6201 8.6201 9.5259 9.5259 9.5722 9.5722 9.9738 9.9738 9.9839 9.9839 k = 0.2233 0.6084 0.1982 ( 11264 PWs) bands (ev): -1.1318 -1.1318 -1.1299 -1.1299 -0.4648 -0.4648 -0.4605 -0.4605 0.3229 0.3229 0.3238 0.3238 3.7535 3.7535 3.7713 3.7713 4.1973 4.1973 4.2433 4.2433 4.6219 4.6219 4.7280 4.7280 5.5342 5.5342 5.5817 5.5817 6.0978 6.0978 6.2595 6.2595 6.3930 6.3930 6.4212 6.4212 6.6276 6.6276 6.7582 6.7582 7.0219 7.0219 7.0235 7.0235 7.3059 7.3059 7.3291 7.3291 8.2484 8.2484 8.2542 8.2542 8.6002 8.6002 8.6158 8.6158 9.5088 9.5088 9.5599 9.5599 9.9784 9.9784 9.9938 9.9938 k = 0.2173 0.5920 0.1982 ( 11264 PWs) bands (ev): -1.1874 -1.1874 -1.1855 -1.1855 -0.4821 -0.4821 -0.4782 -0.4782 0.3631 0.3631 0.3640 0.3640 3.7923 3.7923 3.8169 3.8169 4.2221 4.2221 4.2697 4.2697 4.6006 4.6006 4.7123 4.7123 5.5566 5.5566 5.5974 5.5974 6.0871 6.0871 6.2591 6.2591 6.3871 6.3871 6.4164 6.4164 6.6239 6.6239 6.7635 6.7635 7.0133 7.0133 7.0196 7.0196 7.3208 7.3208 7.3378 7.3378 8.2683 8.2683 8.2728 8.2728 8.5964 8.5964 8.6125 8.6125 9.4926 9.4926 9.5474 9.5474 9.9874 9.9874 10.0071 10.0071 k = 0.2113 0.5755 0.1982 ( 11252 PWs) bands (ev): -1.2447 -1.2447 -1.2428 -1.2428 -0.5015 -0.5015 -0.4980 -0.4980 0.4008 0.4008 0.4017 0.4017 3.8315 3.8315 3.8637 3.8637 4.2524 4.2524 4.3035 4.3035 4.5844 4.5844 4.7011 4.7011 5.5794 5.5794 5.6145 5.6145 6.0751 6.0751 6.2566 6.2566 6.3757 6.3757 6.4050 6.4050 6.6214 6.6214 6.7689 6.7689 7.0072 7.0072 7.0204 7.0204 7.3390 7.3390 7.3511 7.3511 8.2854 8.2854 8.2884 8.2884 8.5937 8.5937 8.6103 8.6103 9.4776 9.4776 9.5351 9.5351 10.0007 10.0007 10.0236 10.0236 k = 0.2052 0.5591 0.1982 ( 11228 PWs) bands (ev): -1.3032 -1.3032 -1.3013 -1.3013 -0.5228 -0.5228 -0.5197 -0.5197 0.4356 0.4356 0.4364 0.4364 3.8703 3.8703 3.9105 3.9105 4.2885 4.2885 4.3451 4.3451 4.5738 4.5738 4.6943 4.6943 5.6022 5.6022 5.6331 5.6331 6.0625 6.0625 6.2524 6.2524 6.3598 6.3598 6.3881 6.3881 6.6181 6.6181 6.7715 6.7715 7.0085 7.0085 7.0263 7.0263 7.3586 7.3586 7.3672 7.3672 8.2993 8.2993 8.3007 8.3007 8.5921 8.5921 8.6093 8.6093 9.4641 9.4641 9.5232 9.5232 10.0179 10.0179 10.0433 10.0433 k = 0.1992 0.5426 0.1982 ( 11240 PWs) bands (ev): -1.3626 -1.3626 -1.3608 -1.3608 -0.5456 -0.5456 -0.5429 -0.5429 0.4673 0.4673 0.4681 0.4681 3.9079 3.9079 3.9559 3.9559 4.3305 4.3305 4.3944 4.3944 4.5693 4.5693 4.6920 4.6920 5.6248 5.6248 5.6529 5.6529 6.0499 6.0499 6.2470 6.2470 6.3406 6.3406 6.3675 6.3675 6.6130 6.6130 6.7701 6.7701 7.0186 7.0186 7.0384 7.0384 7.3786 7.3786 7.3845 7.3845 8.3094 8.3094 8.3098 8.3098 8.5917 8.5917 8.6095 8.6095 9.4521 9.4521 9.5119 9.5119 10.0389 10.0389 10.0660 10.0660 k = 0.1931 0.5262 0.1982 ( 11236 PWs) bands (ev): -1.4227 -1.4227 -1.4208 -1.4208 -0.5699 -0.5699 -0.5676 -0.5676 0.4959 0.4959 0.4966 0.4966 3.9441 3.9441 3.9990 3.9990 4.3776 4.3776 4.4510 4.4510 4.5717 4.5717 4.6940 4.6940 5.6469 5.6469 5.6736 5.6736 6.0376 6.0376 6.2401 6.2401 6.3192 6.3192 6.3450 6.3450 6.6061 6.6061 6.7650 6.7650 7.0368 7.0368 7.0565 7.0565 7.3981 7.3981 7.4021 7.4021 8.3144 8.3144 8.3167 8.3167 8.5927 8.5927 8.6110 8.6110 9.4417 9.4417 9.5014 9.5014 10.0632 10.0632 10.0913 10.0913 k = 0.1871 0.5098 0.1982 ( 11236 PWs) bands (ev): -1.4830 -1.4830 -1.4813 -1.4813 -0.5955 -0.5955 -0.5935 -0.5935 0.5211 0.5211 0.5217 0.5217 3.9788 3.9788 4.0389 4.0389 4.4279 4.4279 4.5139 4.5139 4.5830 4.5830 4.7002 4.7002 5.6683 5.6683 5.6950 5.6950 6.0261 6.0261 6.2306 6.2306 6.2972 6.2972 6.3233 6.3233 6.5983 6.5983 6.7577 6.7577 7.0612 7.0612 7.0795 7.0795 7.4168 7.4168 7.4194 7.4194 8.3156 8.3156 8.3198 8.3198 8.5952 8.5952 8.6140 8.6140 9.4331 9.4331 9.4919 9.4919 10.0904 10.0904 10.1189 10.1189 k = 0.1811 0.4933 0.1982 ( 11236 PWs) bands (ev): -1.5435 -1.5435 -1.5418 -1.5418 -0.6221 -0.6221 -0.6204 -0.6204 0.5430 0.5430 0.5435 0.5435 4.0121 4.0121 4.0754 4.0754 4.4772 4.4772 4.5821 4.5821 4.6064 4.6064 4.7104 4.7104 5.6888 5.6888 5.7169 5.7169 6.0152 6.0152 6.2167 6.2167 6.2759 6.2759 6.3059 6.3059 6.5906 6.5906 6.7500 6.7500 7.0896 7.0896 7.1062 7.1062 7.4345 7.4345 7.4360 7.4360 8.3129 8.3129 8.3191 8.3191 8.5993 8.5993 8.6184 8.6184 9.4262 9.4262 9.4836 9.4836 10.1200 10.1200 10.1484 10.1484 k = 0.1750 0.4769 0.1982 ( 11224 PWs) bands (ev): -1.6037 -1.6037 -1.6021 -1.6021 -0.6495 -0.6495 -0.6481 -0.6481 0.5615 0.5615 0.5619 0.5619 4.0440 4.0440 4.1082 4.1082 4.5203 4.5203 4.6462 4.6462 4.6532 4.6532 4.7256 4.7256 5.7084 5.7084 5.7390 5.7390 6.0049 6.0049 6.1968 6.1968 6.2570 6.2570 6.2958 6.2958 6.5840 6.5840 6.7432 6.7432 7.1204 7.1204 7.1355 7.1355 7.4511 7.4511 7.4516 7.4516 8.3066 8.3066 8.3145 8.3145 8.6051 8.6051 8.6242 8.6242 9.4211 9.4211 9.4766 9.4766 10.1514 10.1514 10.1793 10.1793 k = 0.1690 0.4604 0.1982 ( 11220 PWs) bands (ev): -1.6635 -1.6635 -1.6619 -1.6619 -0.6776 -0.6776 -0.6765 -0.6765 0.5767 0.5767 0.5770 0.5770 4.0745 4.0745 4.1372 4.1372 4.5560 4.5560 4.7023 4.7023 4.7157 4.7157 4.7555 4.7555 5.7272 5.7272 5.7609 5.7609 5.9944 5.9944 6.1720 6.1720 6.2422 6.2422 6.2933 6.2933 6.5792 6.5792 6.7383 6.7383 7.1523 7.1523 7.1663 7.1663 7.4661 7.4661 7.4665 7.4665 8.2968 8.2968 8.3062 8.3062 8.6124 8.6124 8.6313 8.6313 9.4178 9.4178 9.4711 9.4711 10.1839 10.1839 10.2110 10.2110 k = 0.1630 0.4440 0.1982 ( 11236 PWs) bands (ev): -1.7227 -1.7227 -1.7212 -1.7212 -0.7062 -0.7062 -0.7054 -0.7054 0.5887 0.5887 0.5890 0.5890 4.1033 4.1033 4.1625 4.1625 4.5879 4.5879 4.7460 4.7460 4.7693 4.7693 4.8222 4.8222 5.7457 5.7457 5.7823 5.7823 5.9830 5.9830 6.1451 6.1451 6.2334 6.2334 6.2974 6.2974 6.5769 6.5769 6.7358 6.7358 7.1842 7.1842 7.1977 7.1977 7.4796 7.4796 7.4809 7.4809 8.2837 8.2837 8.2945 8.2945 8.6212 8.6212 8.6396 8.6396 9.4165 9.4165 9.4672 9.4672 10.2170 10.2170 10.2428 10.2428 k = 0.1569 0.4275 0.1982 ( 11232 PWs) bands (ev): -1.7810 -1.7810 -1.7796 -1.7796 -0.7352 -0.7352 -0.7345 -0.7345 0.5976 0.5976 0.5980 0.5980 4.1304 4.1304 4.1840 4.1840 4.6193 4.6193 4.7667 4.7667 4.8425 4.8425 4.9013 4.9013 5.7644 5.7644 5.8026 5.8026 5.9704 5.9704 6.1186 6.1186 6.2319 6.2319 6.3070 6.3070 6.5776 6.5776 6.7364 6.7364 7.2155 7.2155 7.2291 7.2291 7.4920 7.4920 7.4945 7.4945 8.2677 8.2677 8.2796 8.2796 8.6313 8.6313 8.6488 8.6488 9.4170 9.4170 9.4651 9.4651 10.2498 10.2498 10.2739 10.2739 k = 0.1509 0.4111 0.1982 ( 11228 PWs) bands (ev): -1.8383 -1.8383 -1.8369 -1.8369 -0.7643 -0.7643 -0.7638 -0.7638 0.6037 0.6037 0.6041 0.6041 4.1555 4.1555 4.2020 4.2020 4.6510 4.6510 4.7859 4.7859 4.9188 4.9188 4.9831 4.9831 5.7835 5.7835 5.8211 5.8211 5.9569 5.9569 6.0951 6.0951 6.2384 6.2384 6.3216 6.3216 6.5820 6.5820 6.7403 6.7403 7.2454 7.2454 7.2598 7.2598 7.5035 7.5035 7.5075 7.5075 8.2492 8.2492 8.2619 8.2619 8.6424 8.6424 8.6587 8.6587 9.4196 9.4196 9.4650 9.4650 10.2815 10.2815 10.3032 10.3032 k = 0.1449 0.3946 0.1982 ( 11240 PWs) bands (ev): -1.8944 -1.8944 -1.8931 -1.8931 -0.7934 -0.7934 -0.7931 -0.7931 0.6072 0.6072 0.6077 0.6077 4.1781 4.1781 4.2167 4.2167 4.6829 4.6829 4.8038 4.8038 4.9966 4.9966 5.0657 5.0657 5.8023 5.8023 5.8366 5.8366 5.9442 5.9442 6.0768 6.0768 6.2531 6.2531 6.3411 6.3411 6.5905 6.5905 6.7477 6.7477 7.2736 7.2736 7.2895 7.2895 7.5143 7.5143 7.5200 7.5200 8.2284 8.2284 8.2417 8.2417 8.6542 8.6542 8.6689 8.6689 9.4242 9.4242 9.4670 9.4670 10.3110 10.3110 10.3290 10.3290 k = 0.1388 0.3782 0.1982 ( 11244 PWs) bands (ev): -1.9491 -1.9491 -1.9479 -1.9479 -0.8224 -0.8224 -0.8223 -0.8223 0.6082 0.6082 0.6088 0.6088 4.1981 4.1981 4.2281 4.2281 4.7138 4.7138 4.8198 4.8198 5.0749 5.0749 5.1484 5.1484 5.8183 5.8183 5.8471 5.8471 5.9359 5.9359 6.0664 6.0664 6.2761 6.2761 6.3654 6.3654 6.6035 6.6035 6.7589 6.7589 7.2996 7.2996 7.3176 7.3176 7.5246 7.5246 7.5323 7.5323 8.2059 8.2059 8.2196 8.2196 8.6663 8.6663 8.6791 8.6791 9.4308 9.4308 9.4712 9.4712 10.3365 10.3365 10.3488 10.3488 k = 0.1328 0.3618 0.1982 ( 11256 PWs) bands (ev): -2.0023 -2.0023 -2.0012 -2.0012 -0.8511 -0.8511 -0.8511 -0.8511 0.6072 0.6072 0.6078 0.6078 4.2151 4.2151 4.2366 4.2366 4.7427 4.7427 4.8331 4.8331 5.1533 5.1533 5.2310 5.2310 5.8266 5.8266 5.8512 5.8512 5.9373 5.9373 6.0660 6.0660 6.3073 6.3073 6.3945 6.3945 6.6215 6.6215 6.7738 6.7738 7.3231 7.3231 7.3439 7.3439 7.5345 7.5345 7.5446 7.5446 8.1821 8.1821 8.1958 8.1958 8.6783 8.6783 8.6888 8.6888 9.4395 9.4395 9.4777 9.4777 10.3551 10.3551 10.3589 10.3589 k = 0.1268 0.3453 0.1982 ( 11248 PWs) bands (ev): -2.0540 -2.0540 -2.0528 -2.0528 -0.8796 -0.8796 -0.8795 -0.8795 0.6042 0.6042 0.6049 0.6049 4.2291 4.2291 4.2423 4.2423 4.7682 4.7682 4.8431 4.8431 5.2312 5.2312 5.3132 5.3132 5.8247 5.8247 5.8486 5.8486 5.9511 5.9511 6.0762 6.0762 6.3472 6.3472 6.4284 6.4284 6.6449 6.6449 6.7924 6.7924 7.3439 7.3439 7.3680 7.3680 7.5443 7.5443 7.5571 7.5571 8.1573 8.1573 8.1707 8.1707 8.6897 8.6897 8.6975 8.6975 9.4500 9.4500 9.4864 9.4864 10.3567 10.3567 10.3626 10.3626 k = 0.1207 0.3289 0.1982 ( 11256 PWs) bands (ev): -2.1038 -2.1038 -2.1028 -2.1028 -0.9074 -0.9074 -0.9073 -0.9073 0.5996 0.5996 0.6003 0.6003 4.2398 4.2398 4.2455 4.2455 4.7896 4.7896 4.8496 4.8496 5.3086 5.3086 5.3946 5.3946 5.8159 5.8159 5.8409 5.8409 5.9737 5.9737 6.0951 6.0951 6.3958 6.3958 6.4669 6.4669 6.6742 6.6742 6.8147 6.8147 7.3619 7.3619 7.3897 7.3897 7.5543 7.5543 7.5698 7.5698 8.1319 8.1319 8.1449 8.1449 8.7002 8.7002 8.7049 8.7049 9.4623 9.4623 9.4975 9.4975 10.3436 10.3436 10.3561 10.3561 k = 0.1147 0.3124 0.1982 ( 11248 PWs) bands (ev): -2.1518 -2.1518 -2.1508 -2.1508 -0.9347 -0.9347 -0.9344 -0.9344 0.5936 0.5936 0.5944 0.5944 4.2464 4.2464 4.2473 4.2473 4.8061 4.8061 4.8527 4.8527 5.3850 5.3850 5.4747 5.4747 5.8052 5.8052 5.8304 5.8304 6.0002 6.0002 6.1203 6.1203 6.4530 6.4530 6.5096 6.5096 6.7098 6.7098 6.8405 6.8405 7.3771 7.3771 7.4089 7.4089 7.5646 7.5646 7.5827 7.5827 8.1064 8.1064 8.1186 8.1186 8.7092 8.7092 8.7103 8.7103 9.4762 9.4762 9.5106 9.5106 10.3242 10.3242 10.3381 10.3381 k = 0.1086 0.2960 0.1982 ( 11256 PWs) bands (ev): -2.1979 -2.1979 -2.1970 -2.1970 -0.9611 -0.9611 -0.9608 -0.9608 0.5865 0.5865 0.5873 0.5873 4.2453 4.2453 4.2517 4.2517 4.8175 4.8175 4.8524 4.8524 5.4599 5.4599 5.5513 5.5513 5.7968 5.7968 5.8193 5.8193 6.0280 6.0280 6.1496 6.1496 6.5180 6.5180 6.5557 6.5557 6.7519 6.7519 6.8697 6.8697 7.3898 7.3898 7.4257 7.4257 7.5754 7.5754 7.5958 7.5958 8.0811 8.0811 8.0922 8.0922 8.7133 8.7133 8.7163 8.7163 9.4914 9.4914 9.5258 9.5258 10.3025 10.3025 10.3137 10.3137 k = 0.1026 0.2795 0.1982 ( 11266 PWs) bands (ev): -2.2419 -2.2419 -2.2410 -2.2410 -0.9867 -0.9867 -0.9864 -0.9864 0.5785 0.5785 0.5793 0.5793 4.2422 4.2422 4.2532 4.2532 4.8241 4.8241 4.8492 4.8492 5.5320 5.5320 5.6193 5.6193 5.7966 5.7966 5.8099 5.8099 6.0562 6.0562 6.1815 6.1815 6.5893 6.5893 6.6042 6.6042 6.8009 6.8009 6.9024 6.9024 7.4003 7.4003 7.4401 7.4401 7.5868 7.5868 7.6090 7.6090 8.0565 8.0565 8.0661 8.0661 8.7135 8.7135 8.7211 8.7211 9.5075 9.5075 9.5425 9.5425 10.2812 10.2812 10.2870 10.2870 k = 0.0966 0.2631 0.1982 ( 11260 PWs) bands (ev): -2.2838 -2.2838 -2.2830 -2.2830 -1.0113 -1.0113 -1.0109 -1.0109 0.5699 0.5699 0.5706 0.5706 4.2376 4.2376 4.2520 4.2520 4.8263 4.8263 4.8436 4.8436 5.5980 5.5980 5.6667 5.6667 5.8052 5.8052 5.8159 5.8159 6.0855 6.0855 6.2152 6.2152 6.6539 6.6539 6.6646 6.6646 6.8564 6.8564 6.9390 6.9390 7.4088 7.4088 7.4528 7.4528 7.5988 7.5988 7.6222 7.6222 8.0327 8.0327 8.0405 8.0405 8.7103 8.7103 8.7230 8.7230 9.5242 9.5242 9.5606 9.5606 10.2605 10.2605 10.2618 10.2618 k = 0.0905 0.2467 0.1982 ( 11272 PWs) bands (ev): -2.3235 -2.3235 -2.3227 -2.3227 -1.0349 -1.0349 -1.0345 -1.0345 0.5608 0.5608 0.5615 0.5615 4.2315 4.2315 4.2485 4.2485 4.8246 4.8246 4.8360 4.8360 5.6513 5.6513 5.6854 5.6854 5.8117 5.8117 5.8614 5.8614 6.1173 6.1173 6.2505 6.2505 6.7041 6.7041 6.7410 6.7410 6.9175 6.9175 6.9801 6.9801 7.4160 7.4160 7.4644 7.4644 7.6112 7.6112 7.6352 7.6352 8.0104 8.0104 8.0156 8.0156 8.7036 8.7036 8.7218 8.7218 9.5410 9.5410 9.5794 9.5794 10.2355 10.2355 10.2449 10.2449 k = 0.0845 0.2302 0.1982 ( 11280 PWs) bands (ev): -2.3609 -2.3609 -2.3602 -2.3602 -1.0572 -1.0572 -1.0568 -1.0568 0.5514 0.5514 0.5521 0.5521 4.2244 4.2244 4.2429 4.2429 4.8199 4.8199 4.8269 4.8269 5.6821 5.6821 5.6866 5.6866 5.8382 5.8382 5.9192 5.9192 6.1543 6.1543 6.2875 6.2875 6.7543 6.7543 6.8146 6.8146 6.9823 6.9823 7.0270 7.0270 7.4225 7.4225 7.4760 7.4760 7.6240 7.6240 7.6480 7.6480 7.9897 7.9897 7.9919 7.9919 8.6928 8.6928 8.7172 8.7172 9.5574 9.5574 9.5983 9.5983 10.2129 10.2129 10.2311 10.2311 k = 0.0785 0.2138 0.1982 ( 11264 PWs) bands (ev): -2.3960 -2.3960 -2.3953 -2.3953 -1.0784 -1.0784 -1.0780 -1.0780 0.5419 0.5419 0.5426 0.5426 4.2164 4.2164 4.2357 4.2357 4.8128 4.8128 4.8167 4.8167 5.6814 5.6814 5.6913 5.6913 5.8830 5.8830 5.9749 5.9749 6.1994 6.1994 6.3266 6.3266 6.8044 6.8044 6.8820 6.8820 7.0480 7.0480 7.0807 7.0807 7.4292 7.4292 7.4891 7.4891 7.6371 7.6371 7.6607 7.6607 7.9694 7.9694 7.9713 7.9713 8.6780 8.6780 8.7089 8.7089 9.5730 9.5730 9.6166 9.6166 10.1932 10.1932 10.2204 10.2204 k = 0.0724 0.1973 0.1982 ( 11282 PWs) bands (ev): -2.4287 -2.4287 -2.4281 -2.4281 -1.0983 -1.0983 -1.0979 -1.0979 0.5326 0.5326 0.5332 0.5332 4.2077 4.2077 4.2272 4.2272 4.8040 4.8040 4.8059 4.8059 5.6740 5.6740 5.6892 5.6892 5.9345 5.9345 6.0220 6.0220 6.2543 6.2543 6.3681 6.3681 6.8547 6.8547 6.9409 6.9409 7.1111 7.1111 7.1399 7.1399 7.4376 7.4376 7.5056 7.5056 7.6504 7.6504 7.6731 7.6731 7.9486 7.9486 7.9557 7.9557 8.6589 8.6589 8.6967 8.6967 9.5875 9.5875 9.6337 9.6337 10.1765 10.1765 10.2125 10.2125 k = 0.0664 0.1809 0.1982 ( 11272 PWs) bands (ev): -2.4589 -2.4589 -2.4584 -2.4584 -1.1168 -1.1168 -1.1164 -1.1164 0.5234 0.5234 0.5240 0.5240 4.1988 4.1988 4.2178 4.2178 4.7941 4.7941 4.7947 4.7947 5.6660 5.6660 5.6827 5.6827 5.9851 5.9851 6.0597 6.0597 6.3175 6.3175 6.4121 6.4121 6.9053 6.9053 6.9918 6.9918 7.1673 7.1673 7.2000 7.2000 7.4502 7.4502 7.5278 7.5278 7.6641 7.6641 7.6852 7.6852 7.9297 7.9297 7.9438 7.9438 8.6356 8.6356 8.6808 8.6808 9.6004 9.6004 9.6489 9.6489 10.1629 10.1629 10.2066 10.2066 k = 0.0604 0.1644 0.1982 ( 11260 PWs) bands (ev): -2.4867 -2.4867 -2.4862 -2.4862 -1.1339 -1.1339 -1.1335 -1.1335 0.5146 0.5146 0.5152 0.5152 4.1898 4.1898 4.2079 4.2079 4.7835 4.7835 4.7837 4.7837 5.6582 5.6582 5.6746 5.6746 6.0314 6.0314 6.0897 6.0897 6.3853 6.3853 6.4580 6.4580 6.9564 6.9564 7.0366 7.0366 7.2128 7.2128 7.2532 7.2532 7.4705 7.4705 7.5569 7.5569 7.6787 7.6787 7.6970 7.6970 7.9133 7.9133 7.9369 7.9369 8.6084 8.6084 8.6611 8.6611 9.6118 9.6118 9.6618 9.6618 10.1517 10.1517 10.2017 10.2017 k = 0.0543 0.1480 0.1982 ( 11270 PWs) bands (ev): -2.5120 -2.5120 -2.5115 -2.5115 -1.1495 -1.1495 -1.1492 -1.1492 0.5064 0.5064 0.5069 0.5069 4.1809 4.1809 4.1978 4.1978 4.7725 4.7725 4.7732 4.7732 5.6507 5.6507 5.6661 5.6661 6.0721 6.0721 6.1145 6.1145 6.4541 6.4541 6.5052 6.5052 7.0083 7.0083 7.0774 7.0774 7.2459 7.2459 7.2926 7.2926 7.5011 7.5011 7.5911 7.5911 7.6953 7.6953 7.7079 7.7079 7.9007 7.9007 7.9369 7.9369 8.5774 8.5774 8.6378 8.6378 9.6218 9.6218 9.6720 9.6720 10.1423 10.1423 10.1964 10.1964 k = 0.0483 0.1315 0.1982 ( 11278 PWs) bands (ev): -2.5346 -2.5346 -2.5342 -2.5342 -1.1636 -1.1636 -1.1633 -1.1633 0.4987 0.4987 0.4992 0.4992 4.1725 4.1725 4.1879 4.1879 4.7621 4.7621 4.7629 4.7629 5.6438 5.6438 5.6578 5.6578 6.1069 6.1069 6.1357 6.1357 6.5207 6.5207 6.5525 6.5525 7.0608 7.0608 7.1156 7.1156 7.2672 7.2672 7.3171 7.3171 7.5391 7.5391 7.6247 7.6247 7.7151 7.7151 7.7173 7.7173 7.8941 7.8941 7.9464 7.9464 8.5433 8.5433 8.6113 8.6113 9.6304 9.6304 9.6798 9.6798 10.1333 10.1333 10.1892 10.1892 k = 0.0423 0.1151 0.1982 ( 11268 PWs) bands (ev): -2.5547 -2.5547 -2.5543 -2.5543 -1.1762 -1.1762 -1.1759 -1.1759 0.4917 0.4917 0.4921 0.4921 4.1646 4.1646 4.1784 4.1784 4.7524 4.7524 4.7532 4.7532 5.6376 5.6376 5.6499 5.6499 6.1361 6.1361 6.1540 6.1540 6.5826 6.5826 6.5983 6.5983 7.1136 7.1136 7.1514 7.1514 7.2794 7.2794 7.3315 7.3315 7.5768 7.5768 7.6508 7.6508 7.7240 7.7240 7.7362 7.7362 7.8986 7.8986 7.9677 7.9677 8.5064 8.5064 8.5821 8.5821 9.6380 9.6380 9.6852 9.6852 10.1237 10.1237 10.1788 10.1788 k = 0.0362 0.0987 0.1982 ( 11274 PWs) bands (ev): -2.5722 -2.5722 -2.5718 -2.5718 -1.1871 -1.1871 -1.1869 -1.1869 0.4854 0.4854 0.4859 0.4859 4.1575 4.1575 4.1695 4.1695 4.7436 4.7436 4.7443 4.7443 5.6322 5.6322 5.6427 5.6427 6.1601 6.1601 6.1700 6.1700 6.6381 6.6381 6.6413 6.6413 7.1661 7.1661 7.1845 7.1845 7.2853 7.2853 7.3413 7.3413 7.6085 7.6085 7.6679 7.6679 7.7273 7.7273 7.7507 7.7507 7.9195 7.9195 8.0012 8.0012 8.4678 8.4678 8.5506 8.5506 9.6449 9.6449 9.6888 9.6888 10.1127 10.1127 10.1648 10.1648 k = 0.0302 0.0822 0.1982 ( 11282 PWs) bands (ev): -2.5870 -2.5870 -2.5866 -2.5866 -1.1964 -1.1964 -1.1962 -1.1962 0.4801 0.4801 0.4805 0.4805 4.1514 4.1514 4.1615 4.1615 4.7359 4.7359 4.7365 4.7365 5.6276 5.6276 5.6363 5.6363 6.1794 6.1794 6.1838 6.1838 6.6804 6.6804 6.6856 6.6856 7.2134 7.2134 7.2171 7.2171 7.2871 7.2871 7.3507 7.3507 7.6321 7.6321 7.6785 7.6785 7.7273 7.7273 7.7537 7.7537 7.9561 7.9561 8.0441 8.0441 8.4283 8.4283 8.5174 8.5174 9.6514 9.6514 9.6907 9.6907 10.1004 10.1004 10.1474 10.1474 k = 0.0241 0.0658 0.1982 ( 11292 PWs) bands (ev): -2.5991 -2.5991 -2.5988 -2.5988 -1.2041 -1.2041 -1.2039 -1.2039 0.4756 0.4756 0.4759 0.4759 4.1464 4.1464 4.1545 4.1545 4.7294 4.7294 4.7299 4.7299 5.6239 5.6239 5.6309 5.6309 6.1944 6.1944 6.1955 6.1955 6.7145 6.7145 6.7243 6.7243 7.2362 7.2362 7.2642 7.2642 7.2878 7.2878 7.3625 7.3625 7.6483 7.6483 7.6847 7.6847 7.7252 7.7252 7.7487 7.7487 8.0007 8.0007 8.0914 8.0914 8.3895 8.3895 8.4830 8.4830 9.6579 9.6579 9.6914 9.6914 10.0877 10.0877 10.1279 10.1279 k = 0.0181 0.0493 0.1982 ( 11290 PWs) bands (ev): -2.6086 -2.6086 -2.6083 -2.6083 -1.2100 -1.2100 -1.2099 -1.2099 0.4721 0.4721 0.4724 0.4724 4.1426 4.1426 4.1487 4.1487 4.7243 4.7243 4.7246 4.7246 5.6212 5.6212 5.6264 5.6264 6.2049 6.2049 6.2054 6.2054 6.7428 6.7428 6.7537 6.7537 7.2518 7.2518 7.2812 7.2812 7.3126 7.3126 7.3768 7.3768 7.6587 7.6587 7.6870 7.6870 7.7224 7.7224 7.7402 7.7402 8.0470 8.0470 8.1371 8.1371 8.3540 8.3540 8.4478 8.4478 9.6643 9.6643 9.6909 9.6909 10.0763 10.0763 10.1081 10.1081 k = 0.0121 0.0329 0.1982 ( 11282 PWs) bands (ev): -2.6154 -2.6154 -2.6151 -2.6151 -1.2143 -1.2143 -1.2142 -1.2142 0.4695 0.4695 0.4698 0.4698 4.1401 4.1401 4.1442 4.1442 4.7205 4.7205 4.7208 4.7208 5.6194 5.6194 5.6229 5.6229 6.2119 6.2119 6.2129 6.2129 6.7646 6.7646 6.7736 6.7736 7.2615 7.2615 7.2789 7.2789 7.3491 7.3491 7.3900 7.3900 7.6650 7.6650 7.6856 7.6856 7.7205 7.7205 7.7317 7.7317 8.0915 8.0915 8.1723 8.1723 8.3280 8.3280 8.4122 8.4122 9.6706 9.6706 9.6892 9.6892 10.0680 10.0680 10.0902 10.0902 k = 0.0060 0.0164 0.1982 ( 11282 PWs) bands (ev): -2.6194 -2.6194 -2.6192 -2.6192 -1.2169 -1.2169 -1.2168 -1.2168 0.4680 0.4680 0.4683 0.4683 4.1390 4.1390 4.1411 4.1411 4.7182 4.7182 4.7184 4.7184 5.6187 5.6187 5.6204 5.6204 6.2164 6.2164 6.2171 6.2171 6.7791 6.7791 6.7842 6.7842 7.2676 7.2676 7.2756 7.2756 7.3770 7.3770 7.3970 7.3970 7.6697 7.6697 7.6809 7.6809 7.7203 7.7203 7.7254 7.7254 8.1320 8.1320 8.1832 8.1832 8.3237 8.3237 8.3769 8.3769 9.6766 9.6766 9.6862 9.6862 10.0646 10.0646 10.0760 10.0760 k = 0.0000 0.0000 0.1982 ( 11292 PWs) bands (ev): -2.6208 -2.6208 -2.6205 -2.6205 -1.2177 -1.2177 -1.2177 -1.2177 0.4675 0.4675 0.4677 0.4677 4.1392 4.1392 4.1395 4.1395 4.7175 4.7175 4.7177 4.7177 5.6190 5.6190 5.6191 5.6191 6.2182 6.2182 6.2182 6.2182 6.7858 6.7858 6.7859 6.7859 7.2719 7.2719 7.2720 7.2720 7.3931 7.3931 7.3934 7.3934 7.6749 7.6749 7.6750 7.6750 7.7218 7.7218 7.7218 7.7218 8.1653 8.1653 8.1654 8.1654 8.3445 8.3445 8.3446 8.3446 9.6818 9.6818 9.6820 9.6820 10.0672 10.0672 10.0672 10.0672 k = 0.0000 0.0000 0.1982 ( 11292 PWs) bands (ev): -2.6208 -2.6208 -2.6205 -2.6205 -1.2177 -1.2177 -1.2177 -1.2177 0.4675 0.4675 0.4677 0.4677 4.1392 4.1392 4.1395 4.1395 4.7175 4.7175 4.7177 4.7177 5.6190 5.6190 5.6191 5.6191 6.2182 6.2182 6.2182 6.2182 6.7858 6.7858 6.7859 6.7859 7.2719 7.2719 7.2720 7.2720 7.3931 7.3931 7.3934 7.3934 7.6749 7.6749 7.6750 7.6750 7.7218 7.7218 7.7218 7.7218 8.1653 8.1653 8.1654 8.1654 8.3445 8.3445 8.3446 8.3446 9.6818 9.6818 9.6820 9.6820 10.0672 10.0672 10.0672 10.0672 k = 0.0000 0.0000 0.1817 ( 11286 PWs) bands (ev): -2.6420 -2.6420 -2.5982 -2.5982 -1.2568 -1.2568 -1.1794 -1.1794 0.4641 0.4641 0.4710 0.4710 4.1323 4.1323 4.1463 4.1463 4.6620 4.6620 4.7763 4.7763 5.5786 5.5786 5.6588 5.6588 6.1813 6.1813 6.2566 6.2566 6.7629 6.7629 6.8101 6.8101 7.2246 7.2246 7.3109 7.3109 7.3797 7.3797 7.4066 7.4066 7.6641 7.6641 7.6794 7.6794 7.7109 7.7109 7.7455 7.7455 8.1529 8.1529 8.1682 8.1682 8.3021 8.3021 8.3965 8.3965 9.6395 9.6395 9.7254 9.7254 10.0483 10.0483 10.0885 10.0885 k = 0.0000 0.0000 0.1652 ( 11278 PWs) bands (ev): -2.6622 -2.6622 -2.5750 -2.5750 -1.2962 -1.2962 -1.1424 -1.1424 0.4607 0.4607 0.4743 0.4743 4.1254 4.1254 4.1532 4.1532 4.6099 4.6099 4.8377 4.8377 5.5385 5.5385 5.6969 5.6969 6.1459 6.1459 6.2963 6.2963 6.7414 6.7414 6.8353 6.8353 7.1731 7.1731 7.3356 7.3356 7.3665 7.3665 7.4196 7.4196 7.6538 7.6538 7.6787 7.6787 7.7122 7.7122 7.7753 7.7753 8.1273 8.1273 8.1627 8.1627 8.2767 8.2767 8.4522 8.4522 9.5989 9.5989 9.7696 9.7696 10.0319 10.0319 10.1120 10.1120 k = 0.0000 0.0000 0.1487 ( 11284 PWs) bands (ev): -2.6808 -2.6808 -2.5514 -2.5514 -1.3353 -1.3353 -1.1072 -1.1072 0.4573 0.4573 0.4774 0.4774 4.1186 4.1186 4.1598 4.1598 4.5617 4.5617 4.9013 4.9013 5.4996 5.4996 5.7322 5.7322 6.1121 6.1121 6.3369 6.3369 6.7217 6.7217 6.8609 6.8609 7.1207 7.1207 7.3414 7.3414 7.3528 7.3528 7.4340 7.4340 7.6519 7.6519 7.6762 7.6762 7.7208 7.7208 7.8065 7.8065 8.0876 8.0876 8.1528 8.1528 8.2686 8.2686 8.5086 8.5086 9.5604 9.5604 9.8139 9.8139 10.0180 10.0180 10.1372 10.1372 k = 0.0000 0.0000 0.1322 ( 11264 PWs) bands (ev): -2.6978 -2.6978 -2.5277 -2.5277 -1.3734 -1.3734 -1.0743 -1.0743 0.4541 0.4541 0.4803 0.4803 4.1122 4.1122 4.1660 4.1660 4.5177 4.5177 4.9664 4.9664 5.4628 5.4628 5.7636 5.7636 6.0796 6.0796 6.3778 6.3778 6.7040 6.7040 6.8862 6.8862 7.0707 7.0707 7.3302 7.3302 7.3366 7.3366 7.4505 7.4505 7.6576 7.6576 7.6734 7.6734 7.7358 7.7358 7.8365 7.8365 8.0399 8.0399 8.1415 8.1415 8.2702 8.2702 8.5640 8.5640 9.5246 9.5246 9.8576 9.8576 10.0065 10.0065 10.1637 10.1637 k = 0.0000 0.0000 0.1156 ( 11266 PWs) bands (ev): -2.7131 -2.7131 -2.5044 -2.5044 -1.4099 -1.4099 -1.0441 -1.0441 0.4511 0.4511 0.4829 0.4829 4.1063 4.1063 4.1718 4.1718 4.4782 4.4782 5.0322 5.0322 5.4288 5.4288 5.7904 5.7904 6.0482 6.0482 6.4185 6.4185 6.6884 6.6884 6.9093 6.9093 7.0267 7.0267 7.2996 7.2996 7.3265 7.3265 7.4680 7.4680 7.6652 7.6652 7.6710 7.6710 7.7572 7.7572 7.8634 7.8634 7.9907 7.9907 8.1298 8.1298 8.2758 8.2758 8.6169 8.6169 9.4917 9.4917 9.8999 9.8999 9.9975 9.9975 10.1909 10.1909 k = 0.0000 0.0000 0.0991 ( 11260 PWs) bands (ev): -2.7266 -2.7266 -2.4820 -2.4820 -1.4441 -1.4441 -1.0170 -1.0170 0.4484 0.4484 0.4852 0.4852 4.1008 4.1008 4.1771 4.1771 4.4433 4.4433 5.0976 5.0976 5.3981 5.3981 5.8121 5.8121 6.0173 6.0173 6.4581 6.4581 6.6749 6.6749 6.9246 6.9246 6.9961 6.9961 7.2609 7.2609 7.3173 7.3173 7.4855 7.4855 7.6666 7.6666 7.6740 7.6740 7.7832 7.7832 7.8828 7.8828 7.9471 7.9471 8.1179 8.1179 8.2827 8.2827 8.6662 8.6662 9.4624 9.4624 9.9395 9.9395 9.9914 9.9914 10.2177 10.2177 k = 0.0000 0.0000 0.0826 ( 11241 PWs) bands (ev): -2.7381 -2.7381 -2.4612 -2.4612 -1.4752 -1.4752 -0.9934 -0.9934 0.4459 0.4459 0.4872 0.4872 4.0961 4.0961 4.1818 4.1818 4.4133 4.4133 5.1613 5.1613 5.3715 5.3715 5.8286 5.8286 5.9865 5.9865 6.4952 6.4952 6.6637 6.6637 6.9210 6.9210 6.9914 6.9914 7.2183 7.2183 7.3092 7.3092 7.5028 7.5028 7.6643 7.6643 7.6791 7.6791 7.8104 7.8104 7.8724 7.8724 7.9331 7.9331 8.1057 8.1057 8.2896 8.2896 8.7107 8.7107 9.4368 9.4368 9.9702 9.9702 9.9930 9.9930 10.2434 10.2434 k = 0.0000 0.0000 0.0661 ( 11237 PWs) bands (ev): -2.7476 -2.7476 -2.4427 -2.4427 -1.5023 -1.5023 -0.9736 -0.9736 0.4439 0.4439 0.4888 0.4888 4.0921 4.0921 4.1858 4.1858 4.3884 4.3884 5.2213 5.2213 5.3494 5.3494 5.8404 5.8404 5.9559 5.9559 6.5285 6.5285 6.6544 6.6544 6.9073 6.9073 7.0047 7.0047 7.1745 7.1745 7.3024 7.3024 7.5197 7.5197 7.6620 7.6620 7.6829 7.6829 7.8295 7.8295 7.8420 7.8420 7.9469 7.9469 8.0934 8.0934 8.2960 8.2960 8.7492 8.7492 9.4154 9.4154 9.9757 9.9757 10.0175 10.0175 10.2668 10.2668 k = 0.0000 0.0000 0.0496 ( 11241 PWs) bands (ev): -2.7551 -2.7551 -2.4273 -2.4273 -1.5246 -1.5246 -0.9578 -0.9578 0.4423 0.4423 0.4901 0.4901 4.0889 4.0889 4.1890 4.1890 4.3688 4.3688 5.2742 5.2742 5.3327 5.3327 5.8485 5.8485 5.9263 5.9263 6.5565 6.5565 6.6467 6.6467 6.8990 6.8990 7.0206 7.0206 7.1320 7.1320 7.2971 7.2971 7.5360 7.5360 7.6600 7.6600 7.6857 7.6857 7.7966 7.7966 7.8597 7.8597 7.9638 7.9638 8.0809 8.0809 8.3013 8.3013 8.7806 8.7806 9.3984 9.3984 9.9743 9.9743 10.0449 10.0449 10.2868 10.2868 k = 0.0000 0.0000 0.0330 ( 11233 PWs) bands (ev): -2.7604 -2.7604 -2.4156 -2.4156 -1.5412 -1.5412 -0.9464 -0.9464 0.4411 0.4411 0.4910 0.4910 4.0866 4.0866 4.1914 4.1914 4.3547 4.3547 5.3080 5.3080 5.3301 5.3301 5.8541 5.8541 5.8997 5.8997 6.5781 6.5781 6.6401 6.6401 6.8992 6.8992 7.0340 7.0340 7.0941 7.0941 7.2933 7.2933 7.5506 7.5506 7.6582 7.6582 7.6877 7.6877 7.7655 7.7655 7.8761 7.8761 7.9795 7.9795 8.0688 8.0688 8.3054 8.3054 8.8039 8.8039 9.3861 9.3861 9.9730 9.9730 10.0667 10.0667 10.3024 10.3024 k = 0.0000 0.0000 0.0165 ( 11233 PWs) bands (ev): -2.7636 -2.7636 -2.4083 -2.4083 -1.5515 -1.5515 -0.9395 -0.9395 0.4403 0.4403 0.4915 0.4915 4.0852 4.0852 4.1928 4.1928 4.3462 4.3462 5.3070 5.3070 5.3529 5.3529 5.8589 5.8589 5.8791 5.8791 6.5924 6.5924 6.6346 6.6346 6.9048 6.9048 7.0431 7.0431 7.0655 7.0655 7.2909 7.2909 7.5617 7.5617 7.6567 7.6567 7.6890 7.6890 7.7441 7.7441 7.8864 7.8864 7.9919 7.9919 8.0586 8.0586 8.3078 8.3078 8.8182 8.8182 9.3786 9.3786 9.9722 9.9722 10.0807 10.0807 10.3123 10.3124 k = 0.0000 0.0000 0.0000 ( 11229 PWs) bands (ev): -2.7647 -2.7647 -2.4058 -2.4058 -1.5550 -1.5550 -0.9372 -0.9372 0.4401 0.4401 0.4917 0.4917 4.0847 4.0847 4.1933 4.1933 4.3433 4.3433 5.3050 5.3050 5.3628 5.3628 5.8642 5.8642 5.8678 5.8678 6.5978 6.5978 6.6321 6.6321 6.9083 6.9083 7.0475 7.0475 7.0530 7.0530 7.2902 7.2902 7.5659 7.5659 7.6561 7.6561 7.6895 7.6895 7.7363 7.7363 7.8899 7.8899 7.9970 7.9970 8.0542 8.0542 8.3087 8.3087 8.8231 8.8231 9.3761 9.3761 9.9719 9.9719 10.0855 10.0855 10.3158 10.3158 k = 0.0000 0.0000 0.0000 ( 11229 PWs) bands (ev): -2.7647 -2.7647 -2.4058 -2.4058 -1.5550 -1.5550 -0.9372 -0.9372 0.4401 0.4401 0.4917 0.4917 4.0847 4.0847 4.1933 4.1933 4.3433 4.3433 5.3050 5.3050 5.3628 5.3628 5.8642 5.8642 5.8678 5.8678 6.5978 6.5978 6.6321 6.6321 6.9083 6.9083 7.0475 7.0475 7.0530 7.0530 7.2902 7.2902 7.5659 7.5659 7.6561 7.6561 7.6895 7.6895 7.7363 7.7363 7.8899 7.8899 7.9970 7.9970 8.0542 8.0542 8.3087 8.3087 8.8231 8.8231 9.3761 9.3761 9.9719 9.9719 10.0855 10.0855 10.3158 10.3158 k =-0.0161 0.0059 0.0000 ( 11227 PWs) bands (ev): -2.7633 -2.7633 -2.4045 -2.4045 -1.5540 -1.5540 -0.9367 -0.9367 0.4370 0.4370 0.4897 0.4897 4.0838 4.0838 4.1427 4.1427 4.3991 4.3991 5.2519 5.2519 5.4168 5.4168 5.8555 5.8555 5.8711 5.8711 6.5938 6.5938 6.6339 6.6339 6.8816 6.8816 7.0456 7.0456 7.0853 7.0853 7.2901 7.2901 7.5672 7.5672 7.6544 7.6544 7.6902 7.6902 7.7387 7.7387 7.8918 7.8918 7.9871 7.9871 8.0658 8.0658 8.3099 8.3099 8.8235 8.8235 9.3759 9.3759 9.9694 9.9694 10.0814 10.0814 10.3173 10.3173 k =-0.0323 0.0118 0.0000 ( 11233 PWs) bands (ev): -2.7591 -2.7591 -2.4004 -2.4004 -1.5510 -1.5510 -0.9352 -0.9352 0.4277 0.4277 0.4838 0.4838 4.0470 4.0470 4.0937 4.0937 4.4979 4.4979 5.1789 5.1789 5.4926 5.4926 5.8386 5.8386 5.8719 5.8719 6.5824 6.5824 6.6365 6.6365 6.8330 6.8330 7.0476 7.0476 7.1447 7.1447 7.2898 7.2898 7.5711 7.5711 7.6494 7.6494 7.6928 7.6928 7.7452 7.7452 7.8978 7.8978 7.9686 7.9686 8.0895 8.0895 8.3134 8.3134 8.8248 8.8248 9.3753 9.3753 9.9623 9.9623 10.0694 10.0694 10.3212 10.3212 k =-0.0484 0.0178 0.0000 ( 11237 PWs) bands (ev): -2.7521 -2.7521 -2.3937 -2.3937 -1.5461 -1.5461 -0.9326 -0.9326 0.4122 0.4122 0.4738 0.4738 3.9602 3.9602 4.0940 4.0940 4.6047 4.6047 5.1066 5.1066 5.5703 5.5703 5.8143 5.8143 5.8696 5.8696 6.5626 6.5626 6.6362 6.6362 6.7907 6.7907 7.0516 7.0516 7.2097 7.2097 7.2895 7.2895 7.5774 7.5774 7.6413 7.6413 7.6965 7.6965 7.7551 7.7551 7.9070 7.9070 7.9516 7.9516 8.1168 8.1168 8.3195 8.3195 8.8270 8.8270 9.3744 9.3744 9.9513 9.9513 10.0497 10.0497 10.3167 10.3168 k =-0.0645 0.0237 0.0000 ( 11235 PWs) bands (ev): -2.7424 -2.7424 -2.3843 -2.3843 -1.5393 -1.5393 -0.9291 -0.9291 0.3908 0.3908 0.4597 0.4597 3.8744 3.8744 4.0980 4.0980 4.7108 4.7108 5.0397 5.0397 5.6483 5.6483 5.7824 5.7824 5.8645 5.8645 6.5299 6.5299 6.6327 6.6327 6.7660 6.7660 7.0576 7.0576 7.2718 7.2718 7.2913 7.2913 7.5862 7.5862 7.6310 7.6310 7.7000 7.7000 7.7677 7.7677 7.9142 7.9142 7.9453 7.9453 8.1450 8.1450 8.3282 8.3282 8.8298 8.8298 9.3732 9.3732 9.9375 9.9375 10.0233 10.0233 10.2858 10.2858 k =-0.0806 0.0296 0.0000 ( 11247 PWs) bands (ev): -2.7298 -2.7298 -2.3723 -2.3723 -1.5306 -1.5306 -0.9246 -0.9246 0.3636 0.3636 0.4415 0.4415 3.7933 3.7933 4.1038 4.1038 4.7979 4.7979 4.9947 4.9947 5.7259 5.7259 5.7437 5.7437 5.8564 5.8564 6.4840 6.4840 6.6295 6.6295 6.7588 6.7588 7.0657 7.0657 7.2865 7.2865 7.3365 7.3365 7.5971 7.5971 7.6194 7.6194 7.7016 7.7016 7.7829 7.7829 7.9111 7.9111 7.9599 7.9599 8.1732 8.1732 8.3396 8.3396 8.8333 8.8333 9.3718 9.3718 9.9218 9.9218 9.9915 9.9915 10.2448 10.2448 k =-0.0968 0.0355 0.0000 ( 11242 PWs) bands (ev): -2.7146 -2.7146 -2.3576 -2.3576 -1.5200 -1.5200 -0.9192 -0.9192 0.3309 0.3309 0.4192 0.4192 3.7180 3.7180 4.1111 4.1111 4.8109 4.8109 5.0254 5.0254 5.6984 5.6984 5.8024 5.8024 5.8452 5.8452 6.4309 6.4309 6.6294 6.6294 6.7626 6.7626 7.0759 7.0759 7.2863 7.2863 7.3902 7.3902 7.6057 7.6057 7.6112 7.6112 7.7002 7.7002 7.8003 7.8003 7.9087 7.9087 7.9864 7.9864 8.2006 8.2006 8.3540 8.3540 8.8373 8.8373 9.3704 9.3704 9.9052 9.9052 9.9559 9.9559 10.1982 10.1982 k =-0.1129 0.0414 0.0000 ( 11236 PWs) bands (ev): -2.6965 -2.6965 -2.3402 -2.3402 -1.5077 -1.5077 -0.9130 -0.9130 0.2928 0.2928 0.3926 0.3926 3.6490 3.6490 4.1198 4.1198 4.7601 4.7601 5.1202 5.1202 5.6479 5.6479 5.8297 5.8297 5.8772 5.8772 6.3773 6.3773 6.6332 6.6332 6.7722 6.7722 7.0884 7.0884 7.2858 7.2858 7.4358 7.4358 7.5942 7.5942 7.6246 7.6246 7.6958 7.6958 7.8189 7.8189 7.9141 7.9141 8.0189 8.0189 8.2267 8.2267 8.3715 8.3715 8.8415 8.8415 9.3691 9.3691 9.8871 9.8871 9.9190 9.9190 10.1480 10.1480 k =-0.1290 0.0474 0.0000 ( 11228 PWs) bands (ev): -2.6758 -2.6758 -2.3202 -2.3202 -1.4937 -1.4937 -0.9061 -0.9061 0.2499 0.2499 0.3618 0.3618 3.5868 3.5868 4.1298 4.1298 4.6939 4.6939 5.2280 5.2280 5.5930 5.5930 5.8121 5.8121 5.9476 5.9476 6.3280 6.3280 6.6404 6.6404 6.7857 6.7857 7.1032 7.1032 7.2854 7.2854 7.4711 7.4711 7.5828 7.5828 7.6394 7.6394 7.6895 7.6895 7.8384 7.8384 7.9299 7.9299 8.0552 8.0552 8.2513 8.2513 8.3922 8.3922 8.8457 8.8457 9.3680 9.3680 9.8625 9.8625 9.8881 9.8881 10.0955 10.0955 k =-0.1452 0.0533 0.0000 ( 11228 PWs) bands (ev): -2.6524 -2.6524 -2.2977 -2.2977 -1.4780 -1.4780 -0.8985 -0.8985 0.2023 0.2023 0.3267 0.3267 3.5316 3.5316 4.1405 4.1405 4.6249 4.6249 5.3315 5.3315 5.5347 5.5347 5.7951 5.7951 6.0126 6.0126 6.2863 6.2863 6.6510 6.6510 6.8024 6.8024 7.1202 7.1202 7.2850 7.2850 7.4947 7.4947 7.5734 7.5734 7.6519 7.6519 7.6850 7.6850 7.8595 7.8595 7.9551 7.9551 8.0936 8.0936 8.2747 8.2747 8.4159 8.4159 8.8497 8.8497 9.3672 9.3672 9.8262 9.8262 9.8700 9.8700 10.0419 10.0419 k =-0.1613 0.0592 0.0000 ( 11236 PWs) bands (ev): -2.6264 -2.6264 -2.2726 -2.2726 -1.4609 -1.4609 -0.8903 -0.8903 0.1505 0.1505 0.2874 0.2874 3.4837 3.4837 4.1511 4.1511 4.5567 4.5567 5.4155 5.4155 5.4743 5.4743 5.7896 5.7896 6.0699 6.0699 6.2547 6.2547 6.6647 6.6647 6.8225 6.8225 7.1395 7.1395 7.2847 7.2847 7.5069 7.5069 7.5663 7.5663 7.6528 7.6528 7.6929 7.6929 7.8832 7.8832 7.9873 7.9873 8.1324 8.1324 8.2977 8.2977 8.4420 8.4420 8.8531 8.8531 9.3670 9.3670 9.7863 9.7863 9.8582 9.8582 9.9884 9.9884 k =-0.1774 0.0651 0.0000 ( 11234 PWs) bands (ev): -2.5977 -2.5977 -2.2449 -2.2449 -1.4424 -1.4424 -0.8817 -0.8817 0.0948 0.0948 0.2440 0.2440 3.4432 3.4432 4.1600 4.1600 4.4923 4.4923 5.4102 5.4102 5.4615 5.4615 5.8147 5.8147 6.1167 6.1167 6.2349 6.2349 6.6812 6.6812 6.8467 6.8467 7.1609 7.1609 7.2845 7.2845 7.5101 7.5101 7.5611 7.5611 7.6439 7.6439 7.7124 7.7124 7.9100 7.9100 8.0232 8.0232 8.1697 8.1697 8.3216 8.3216 8.4699 8.4699 8.8556 8.8556 9.3674 9.3674 9.7469 9.7469 9.8499 9.8499 9.9360 9.9360 k =-0.1935 0.0710 0.0000 ( 11222 PWs) bands (ev): -2.5665 -2.5665 -2.2147 -2.2147 -1.4227 -1.4227 -0.8727 -0.8727 0.0356 0.0356 0.1966 0.1966 3.4101 3.4101 4.1636 4.1636 4.4355 4.4355 5.3474 5.3474 5.4552 5.4552 5.8784 5.8784 6.1512 6.1512 6.2283 6.2283 6.7000 6.7000 6.8758 6.8758 7.1841 7.1841 7.2845 7.2845 7.5078 7.5078 7.5559 7.5559 7.6338 7.6338 7.7366 7.7366 7.9396 7.9396 8.0602 8.0602 8.2040 8.2040 8.3477 8.3477 8.4991 8.4991 8.8570 8.8570 9.3686 9.3686 9.7094 9.7094 9.8440 9.8440 9.8865 9.8865 k =-0.2097 0.0770 0.0000 ( 11228 PWs) bands (ev): -2.5328 -2.5328 -2.1821 -2.1821 -1.4018 -1.4018 -0.8635 -0.8635 -0.0265 -0.0265 0.1454 0.1454 3.3844 3.3844 4.1562 4.1562 4.3925 4.3925 5.2844 5.2844 5.4150 5.4150 5.9598 5.9598 6.1795 6.1795 6.2324 6.2324 6.7205 6.7205 6.9102 6.9102 7.2090 7.2090 7.2847 7.2847 7.5024 7.5024 7.5487 7.5487 7.6269 7.6269 7.7632 7.7632 7.9715 7.9715 8.0965 8.0965 8.2344 8.2344 8.3770 8.3770 8.5288 8.5288 8.8569 8.8569 9.3706 9.3706 9.6746 9.6746 9.8274 9.8274 9.8537 9.8537 k =-0.2258 0.0829 0.0000 ( 11240 PWs) bands (ev): -2.4966 -2.4966 -2.1471 -2.1471 -1.3801 -1.3801 -0.8542 -0.8542 -0.0913 -0.0913 0.0907 0.0907 3.3660 3.3660 4.1313 4.1313 4.3694 4.3694 5.2222 5.2222 5.3570 5.3570 6.0293 6.0293 6.2200 6.2200 6.2412 6.2412 6.7420 6.7420 6.9497 6.9497 7.2351 7.2351 7.2856 7.2856 7.4954 7.4954 7.5377 7.5377 7.6266 7.6266 7.7911 7.7911 8.0049 8.0049 8.1308 8.1308 8.2613 8.2613 8.4094 8.4094 8.5586 8.5586 8.8551 8.8551 9.3736 9.3736 9.6432 9.6432 9.7863 9.7863 9.8522 9.8522 k =-0.2419 0.0888 0.0000 ( 11228 PWs) bands (ev): -2.4581 -2.4581 -2.1097 -2.1097 -1.3576 -1.3576 -0.8450 -0.8450 -0.1582 -0.1582 0.0328 0.0328 3.3547 3.3547 4.0896 4.0896 4.3658 4.3658 5.1616 5.1616 5.2901 5.2901 6.0674 6.0674 6.2350 6.2350 6.3031 6.3031 6.7639 6.7639 6.9929 6.9929 7.2610 7.2610 7.2882 7.2882 7.4875 7.4875 7.5226 7.5226 7.6340 7.6340 7.8197 7.8197 8.0395 8.0395 8.1625 8.1625 8.2860 8.2860 8.4437 8.4437 8.5879 8.5879 8.8516 8.8516 9.3777 9.3777 9.6158 9.6158 9.7452 9.7452 9.8580 9.8580 k =-0.2581 0.0947 0.0000 ( 11232 PWs) bands (ev): -2.4172 -2.4172 -2.0701 -2.0701 -1.3347 -1.3347 -0.8360 -0.8360 -0.2269 -0.2269 -0.0281 -0.0281 3.3502 3.3502 4.0375 4.0375 4.3747 4.3747 5.1028 5.1028 5.2194 5.2194 6.0822 6.0822 6.2284 6.2284 6.4021 6.4021 6.7864 6.7864 7.0382 7.0382 7.2793 7.2793 7.2999 7.2999 7.4796 7.4796 7.5043 7.5043 7.6480 7.6480 7.8485 7.8485 8.0744 8.0744 8.1918 8.1918 8.3100 8.3100 8.4783 8.4783 8.6165 8.6165 8.8466 8.8466 9.3827 9.3827 9.5926 9.5926 9.7081 9.7081 9.8675 9.8675 k =-0.2742 0.1006 0.0000 ( 11232 PWs) bands (ev): -2.3742 -2.3742 -2.0283 -2.0283 -1.3115 -1.3115 -0.8274 -0.8274 -0.2968 -0.2968 -0.0916 -0.0916 3.3524 3.3524 3.9811 3.9811 4.3894 4.3894 5.0453 5.0453 5.1494 5.1494 6.0859 6.0859 6.2147 6.2147 6.5090 6.5090 6.8098 6.8098 7.0836 7.0836 7.2852 7.2852 7.3248 7.3248 7.4726 7.4726 7.4844 7.4844 7.6664 7.6664 7.8768 7.8768 8.1094 8.1094 8.2196 8.2196 8.3346 8.3346 8.5119 8.5119 8.6439 8.6439 8.8405 8.8405 9.3889 9.3889 9.5738 9.5738 9.6760 9.6760 9.8797 9.8797 k =-0.2903 0.1066 0.0000 ( 11248 PWs) bands (ev): -2.3291 -2.3291 -1.9843 -1.9843 -1.2885 -1.2885 -0.8194 -0.8194 -0.3674 -0.3674 -0.1572 -0.1572 3.3609 3.3609 3.9236 3.9236 4.4057 4.4057 4.9864 4.9864 5.0861 5.0861 6.0821 6.0821 6.1972 6.1972 6.6153 6.6153 6.8348 6.8348 7.1274 7.1274 7.2892 7.2892 7.3519 7.3519 7.4630 7.4630 7.4687 7.4687 7.6874 7.6874 7.9040 7.9040 8.1436 8.1436 8.2464 8.2464 8.3606 8.3606 8.5438 8.5438 8.6700 8.6700 8.8339 8.8339 9.3961 9.3961 9.5592 9.5592 9.6499 9.6499 9.8936 9.8936 k =-0.3065 0.1125 0.0000 ( 11254 PWs) bands (ev): -2.2820 -2.2820 -1.9384 -1.9384 -1.2660 -1.2660 -0.8120 -0.8120 -0.4382 -0.4382 -0.2245 -0.2245 3.3753 3.3753 3.8671 3.8671 4.4201 4.4201 4.9216 4.9216 5.0366 5.0366 6.0694 6.0694 6.1801 6.1801 6.7144 6.7144 6.8640 6.8640 7.1681 7.1681 7.2940 7.2940 7.3768 7.3768 7.4424 7.4424 7.4684 7.4684 7.7091 7.7091 7.9293 7.9293 8.1765 8.1765 8.2723 8.2723 8.3884 8.3884 8.5743 8.5743 8.6947 8.6947 8.8278 8.8278 9.4043 9.4043 9.5485 9.5485 9.6303 9.6303 9.9084 9.9084 k =-0.3226 0.1184 0.0000 ( 11262 PWs) bands (ev): -2.2331 -2.2331 -1.8906 -1.8906 -1.2444 -1.2444 -0.8056 -0.8056 -0.5083 -0.5083 -0.2932 -0.2932 3.3954 3.3954 3.8126 3.8126 4.4302 4.4302 4.8498 4.8498 5.0052 5.0052 6.0451 6.0451 6.1678 6.1678 6.7966 6.7966 6.9043 6.9043 7.2048 7.2048 7.3004 7.3004 7.3968 7.3968 7.4222 7.4222 7.4757 7.4757 7.7302 7.7302 7.9523 7.9523 8.2071 8.2071 8.2971 8.2971 8.4167 8.4167 8.6047 8.6047 8.7185 8.7185 8.8234 8.8234 9.4133 9.4133 9.5414 9.5414 9.6176 9.6176 9.9232 9.9232 k =-0.3387 0.1243 0.0000 ( 11266 PWs) bands (ev): -2.1826 -2.1826 -1.8412 -1.8412 -1.2244 -1.2244 -0.8005 -0.8005 -0.5768 -0.5768 -0.3627 -0.3627 3.4206 3.4206 3.7611 3.7611 4.4342 4.4342 4.7736 4.7736 4.9913 4.9913 6.0095 6.0095 6.1611 6.1611 6.8506 6.8506 6.9640 6.9640 7.2361 7.2361 7.3093 7.3093 7.3999 7.3999 7.4146 7.4146 7.4918 7.4918 7.7502 7.7502 7.9725 7.9725 8.2338 8.2338 8.3212 8.3212 8.4422 8.4422 8.6364 8.6364 8.7434 8.7434 8.8219 8.8219 9.4231 9.4231 9.5374 9.5374 9.6119 9.6119 9.9373 9.9373 k =-0.3548 0.1302 0.0000 ( 11262 PWs) bands (ev): -2.1307 -2.1307 -1.7904 -1.7904 -1.2069 -1.2069 -0.7973 -0.7973 -0.6422 -0.6422 -0.4326 -0.4326 3.4507 3.4507 3.7130 3.7130 4.4313 4.4313 4.6957 4.6957 4.9934 4.9934 5.9650 5.9650 6.1586 6.1586 6.8840 6.8840 7.0323 7.0323 7.2607 7.2607 7.3213 7.3213 7.3821 7.3821 7.4281 7.4281 7.5141 7.5141 7.7690 7.7690 7.9895 7.9895 8.2551 8.2551 8.3454 8.3454 8.4605 8.4605 8.6679 8.6679 8.7746 8.7746 8.8245 8.8245 9.4334 9.4334 9.5361 9.5361 9.6127 9.6127 9.9502 9.9502 k =-0.3710 0.1362 0.0000 ( 11274 PWs) bands (ev): -2.0779 -2.0779 -1.7384 -1.7384 -1.1929 -1.1929 -0.7978 -0.7978 -0.7014 -0.7014 -0.5023 -0.5023 3.4850 3.4850 3.6688 3.6688 4.4222 4.4222 4.6178 4.6178 5.0096 5.0096 5.9141 5.9141 6.1583 6.1583 6.9092 6.9092 7.0936 7.0936 7.2781 7.2781 7.3359 7.3359 7.3653 7.3653 7.4475 7.4475 7.5389 7.5389 7.7871 7.7871 8.0030 8.0030 8.2703 8.2703 8.3697 8.3697 8.4699 8.4699 8.6930 8.6930 8.8144 8.8144 8.8372 8.8372 9.4439 9.4439 9.5370 9.5370 9.6192 9.6192 9.9619 9.9619 k =-0.3871 0.1421 0.0000 ( 11266 PWs) bands (ev): -2.0245 -2.0245 -1.6857 -1.6857 -1.1841 -1.1841 -0.8089 -0.8089 -0.7456 -0.7456 -0.5711 -0.5711 3.5231 3.5231 3.6290 3.6290 4.4086 4.4086 4.5413 4.5413 5.0376 5.0376 5.8586 5.8586 6.1592 6.1592 6.9305 6.9305 7.1413 7.1413 7.2892 7.2892 7.3441 7.3441 7.3576 7.3576 7.4754 7.4754 7.5637 7.5637 7.8052 7.8052 8.0132 8.0132 8.2801 8.2801 8.3916 8.3916 8.4729 8.4729 8.7092 8.7092 8.8312 8.8312 8.8929 8.8929 9.4545 9.4545 9.5397 9.5397 9.6300 9.6300 9.9722 9.9722 k =-0.4032 0.1480 0.0000 ( 11250 PWs) bands (ev): -1.9712 -1.9712 -1.6330 -1.6330 -1.1824 -1.1824 -0.8390 -0.8390 -0.7642 -0.7642 -0.6382 -0.6382 3.5642 3.5642 3.5939 3.5939 4.3917 4.3917 4.4675 4.4675 5.0751 5.0751 5.7999 5.7999 6.1606 6.1606 6.9491 6.9491 7.1751 7.1751 7.2954 7.2954 7.3325 7.3325 7.3707 7.3707 7.5113 7.5113 7.5871 7.5871 7.8236 7.8236 8.0202 8.0202 8.2860 8.2860 8.4055 8.4055 8.4759 8.4759 8.7197 8.7197 8.8399 8.8399 8.9709 8.9709 9.4648 9.4648 9.5438 9.5438 9.6436 9.6436 9.9809 9.9809 k =-0.4194 0.1539 0.0000 ( 11248 PWs) bands (ev): -1.9189 -1.9189 -1.5811 -1.5811 -1.1898 -1.1898 -0.8731 -0.8731 -0.7691 -0.7691 -0.7026 -0.7026 3.5634 3.5634 3.6078 3.6078 4.3690 4.3690 4.4022 4.4022 5.1200 5.1200 5.7387 5.7387 6.1622 6.1622 6.9653 6.9653 7.1976 7.1976 7.2981 7.2981 7.3204 7.3204 7.3843 7.3843 7.5509 7.5509 7.6082 7.6082 7.8423 7.8423 8.0243 8.0243 8.2890 8.2890 8.4058 8.4058 8.4858 8.4858 8.7273 8.7273 8.8474 8.8474 9.0582 9.0582 9.4743 9.4743 9.5489 9.5489 9.6579 9.6579 9.9855 9.9855 k =-0.4355 0.1599 0.0000 ( 11254 PWs) bands (ev): -1.8690 -1.8690 -1.5314 -1.5314 -1.2066 -1.2066 -0.8994 -0.8994 -0.7708 -0.7708 -0.7626 -0.7626 3.5383 3.5383 3.6519 3.6519 4.3191 4.3191 4.3697 4.3697 5.1705 5.1705 5.6759 5.6759 6.1637 6.1637 6.9791 6.9791 7.2124 7.2124 7.2986 7.2986 7.3102 7.3102 7.3956 7.3956 7.5895 7.5895 7.6264 7.6264 7.8608 7.8608 8.0263 8.0263 8.2903 8.2903 8.3957 8.3957 8.5009 8.5009 8.7334 8.7334 8.8538 8.8538 9.1505 9.1505 9.4828 9.4828 9.5542 9.5542 9.6703 9.6703 9.9697 9.9697 k =-0.4516 0.1658 0.0000 ( 11260 PWs) bands (ev): -1.8236 -1.8236 -1.4861 -1.4861 -1.2304 -1.2304 -0.9161 -0.9161 -0.8162 -0.8162 -0.7715 -0.7715 3.5186 3.5186 3.6949 3.6949 4.2603 4.2603 4.3546 4.3546 5.2249 5.2249 5.6124 5.6124 6.1650 6.1650 6.9901 6.9901 7.2221 7.2221 7.2974 7.2974 7.3028 7.3028 7.4044 7.4044 7.6229 7.6229 7.6410 7.6410 7.8779 7.8779 8.0267 8.0267 8.2905 8.2905 8.3818 8.3818 8.5160 8.5160 8.7384 8.7384 8.8588 8.8588 9.2448 9.2448 9.4899 9.4899 9.5587 9.5587 9.6773 9.6773 9.9100 9.9100 k =-0.4677 0.1717 0.0000 ( 11268 PWs) bands (ev): -1.7861 -1.7861 -1.4484 -1.4484 -1.2554 -1.2554 -0.9251 -0.9251 -0.8599 -0.8599 -0.7722 -0.7722 3.5044 3.5044 3.7331 3.7331 4.2097 4.2097 4.3445 4.3445 5.2817 5.2817 5.5495 5.5495 6.1660 6.1660 6.9982 6.9982 7.2283 7.2283 7.2940 7.2940 7.2993 7.2993 7.4105 7.4105 7.6482 7.6482 7.6521 7.6521 7.8922 7.8922 8.0263 8.0263 8.2903 8.2903 8.3689 8.3689 8.5281 8.5281 8.7422 8.7422 8.8624 8.8624 9.3381 9.3381 9.4952 9.4952 9.5601 9.5601 9.6722 9.6722 9.8460 9.8460 k =-0.4839 0.1776 0.0000 ( 11254 PWs) bands (ev): -1.7605 -1.7605 -1.4226 -1.4226 -1.2746 -1.2746 -0.9292 -0.9292 -0.8892 -0.8892 -0.7726 -0.7726 3.4959 3.4959 3.7610 3.7610 4.1743 4.1743 4.3384 4.3384 5.3373 5.3373 5.4902 5.4902 6.1666 6.1666 7.0031 7.0031 7.2318 7.2318 7.2908 7.2908 7.2981 7.2981 7.4141 7.4141 7.6580 7.6580 7.6649 7.6649 7.9017 7.9017 8.0257 8.0257 8.2900 8.2900 8.3598 8.3598 8.5358 8.5358 8.7446 8.7446 8.8646 8.8646 9.4251 9.4251 9.4980 9.4980 9.5521 9.5521 9.6501 9.6501 9.8049 9.8049 k =-0.5000 0.1835 0.0000 ( 11258 PWs) bands (ev): -1.7513 -1.7513 -1.4133 -1.4133 -1.2818 -1.2818 -0.9304 -0.9304 -0.8997 -0.8997 -0.7727 -0.7727 3.4930 3.4930 3.7714 3.7714 4.1613 4.1613 4.3363 4.3363 5.3712 5.3712 5.4552 5.4552 6.1669 6.1669 7.0048 7.0048 7.2329 7.2329 7.2897 7.2897 7.2978 7.2978 7.4153 7.4153 7.6603 7.6603 7.6702 7.6702 7.9051 7.9051 8.0255 8.0255 8.2899 8.2899 8.3566 8.3566 8.5385 8.5385 8.7455 8.7455 8.8653 8.8653 9.4827 9.4827 9.4944 9.4944 9.5325 9.5325 9.6342 9.6342 9.7928 9.7928 k =-0.5000 0.1835 0.0000 ( 11258 PWs) bands (ev): -1.7513 -1.7513 -1.4133 -1.4133 -1.2818 -1.2818 -0.9304 -0.9304 -0.8997 -0.8997 -0.7727 -0.7727 3.4930 3.4930 3.7714 3.7714 4.1613 4.1613 4.3363 4.3363 5.3712 5.3712 5.4552 5.4552 6.1669 6.1669 7.0048 7.0048 7.2329 7.2329 7.2897 7.2897 7.2978 7.2978 7.4153 7.4153 7.6603 7.6603 7.6702 7.6702 7.9051 7.9051 8.0255 8.0255 8.2899 8.2899 8.3566 8.3566 8.5385 8.5385 8.7455 8.7455 8.8653 8.8653 9.4827 9.4827 9.4944 9.4944 9.5325 9.5325 9.6342 9.6342 9.7928 9.7928 k =-0.4940 0.1999-0.0000 ( 11264 PWs) bands (ev): -1.7502 -1.7502 -1.4121 -1.4121 -1.2807 -1.2807 -0.9299 -0.9299 -0.8990 -0.8990 -0.7719 -0.7719 3.4947 3.4947 3.7728 3.7728 4.1630 4.1630 4.3361 4.3361 5.3716 5.3716 5.4560 5.4560 6.1669 6.1669 7.0025 7.0025 7.2209 7.2209 7.2757 7.2757 7.2955 7.2955 7.4054 7.4054 7.6644 7.6644 7.6697 7.6697 7.9001 7.9001 8.0376 8.0376 8.2946 8.2946 8.3570 8.3570 8.5358 8.5358 8.7422 8.7422 8.8617 8.8617 9.4705 9.4705 9.5001 9.5001 9.5388 9.5388 9.6368 9.6369 9.7969 9.7969 k =-0.4880 0.2163-0.0000 ( 11258 PWs) bands (ev): -1.7467 -1.7467 -1.4087 -1.4087 -1.2772 -1.2772 -0.9284 -0.9284 -0.8967 -0.8967 -0.7696 -0.7696 3.4996 3.4996 3.7771 3.7771 4.1681 4.1681 4.3356 4.3356 5.3730 5.3730 5.4585 5.4585 6.1671 6.1671 6.9958 6.9958 7.1861 7.1861 7.2356 7.2356 7.2878 7.2878 7.3786 7.3786 7.6641 7.6641 7.6794 7.6794 7.8904 7.8904 8.0672 8.0672 8.3058 8.3058 8.3588 8.3588 8.5282 8.5282 8.7323 8.7323 8.8518 8.8518 9.4524 9.4524 9.5026 9.5026 9.5538 9.5538 9.6436 9.6436 9.8095 9.8095 k =-0.4820 0.2326-0.0000 ( 11252 PWs) bands (ev): -1.7410 -1.7410 -1.4028 -1.4028 -1.2714 -1.2714 -0.9260 -0.9260 -0.8930 -0.8930 -0.7657 -0.7657 3.5079 3.5079 3.7842 3.7842 4.1765 4.1765 4.3347 4.3347 5.3752 5.3752 5.4627 5.4627 6.1675 6.1675 6.9838 6.9838 7.1312 7.1312 7.1749 7.1749 7.2694 7.2694 7.3435 7.3435 7.6599 7.6599 7.6963 7.6963 7.8816 7.8816 8.1045 8.1045 8.3164 8.3164 8.3623 8.3623 8.5172 8.5172 8.7162 8.7162 8.8379 8.8379 9.4349 9.4349 9.4997 9.4997 9.5713 9.5713 9.6517 9.6517 9.8320 9.8320 k =-0.4760 0.2490-0.0000 ( 11264 PWs) bands (ev): -1.7329 -1.7329 -1.3947 -1.3947 -1.2633 -1.2633 -0.9227 -0.9227 -0.8879 -0.8879 -0.7604 -0.7604 3.5193 3.5193 3.7941 3.7941 4.1883 4.1883 4.3335 4.3335 5.3780 5.3780 5.4685 5.4685 6.1678 6.1678 6.9648 6.9648 7.0588 7.0588 7.1012 7.1012 7.2316 7.2316 7.3126 7.3126 7.6558 7.6558 7.7143 7.7143 7.8756 7.8756 8.1430 8.1430 8.3202 8.3202 8.3648 8.3648 8.5050 8.5050 8.6945 8.6945 8.8236 8.8236 9.4200 9.4200 9.4913 9.4913 9.5871 9.5871 9.6595 9.6595 9.8644 9.8644 k =-0.4700 0.2654-0.0000 ( 11264 PWs) bands (ev): -1.7226 -1.7226 -1.3843 -1.3843 -1.2529 -1.2529 -0.9184 -0.9184 -0.8813 -0.8813 -0.7535 -0.7535 3.5341 3.5341 3.8068 3.8068 4.2033 4.2033 4.3319 4.3319 5.3811 5.3811 5.4758 5.4758 6.1682 6.1682 6.9307 6.9307 6.9722 6.9722 7.0268 7.0268 7.1738 7.1738 7.2895 7.2895 7.6523 7.6523 7.7316 7.7316 7.8719 7.8719 8.1790 8.1790 8.3158 8.3158 8.3597 8.3597 8.4923 8.4923 8.6676 8.6676 8.8133 8.8133 9.4088 9.4088 9.4777 9.4777 9.5963 9.5963 9.6690 9.6690 9.9020 9.9066 k =-0.4639 0.2818-0.0000 ( 11260 PWs) bands (ev): -1.7100 -1.7100 -1.3715 -1.3715 -1.2403 -1.2403 -0.9132 -0.9132 -0.8734 -0.8734 -0.7451 -0.7451 3.5520 3.5520 3.8223 3.8223 4.2214 4.2214 4.3301 4.3301 5.3841 5.3841 5.4846 5.4846 6.1684 6.1684 6.8645 6.8645 6.8745 6.8745 6.9722 6.9722 7.1043 7.1043 7.2685 7.2685 7.6492 7.6492 7.7471 7.7471 7.8696 7.8696 8.2098 8.2098 8.3013 8.3013 8.3479 8.3479 8.4752 8.4752 8.6359 8.6359 8.8105 8.8105 9.4021 9.4021 9.4614 9.4614 9.5946 9.5946 9.6823 9.6823 9.9037 9.9051 k =-0.4579 0.2981-0.0000 ( 11256 PWs) bands (ev): -1.6951 -1.6951 -1.3565 -1.3565 -1.2255 -1.2255 -0.9071 -0.9071 -0.8642 -0.8642 -0.7353 -0.7353 3.5730 3.5730 3.8406 3.8406 4.2424 4.2424 4.3281 4.3281 5.3863 5.3863 5.4947 5.4947 6.1681 6.1681 6.7670 6.7670 6.7729 6.7729 6.9337 6.9337 7.0296 7.0296 7.2462 7.2462 7.6459 7.6459 7.7602 7.7602 7.8679 7.8679 8.2318 8.2318 8.2748 8.2748 8.3370 8.3370 8.4494 8.4494 8.5997 8.5997 8.8150 8.8150 9.4001 9.4001 9.4469 9.4469 9.5822 9.5822 9.6971 9.6971 9.9078 9.9089 k =-0.4519 0.3145-0.0000 ( 11252 PWs) bands (ev): -1.6780 -1.6780 -1.3392 -1.3392 -1.2086 -1.2086 -0.9002 -0.9002 -0.8537 -0.8537 -0.7241 -0.7241 3.5971 3.5971 3.8615 3.8615 4.2656 4.2656 4.3265 4.3265 5.3869 5.3869 5.5061 5.5061 6.1669 6.1669 6.6543 6.6543 6.6711 6.6711 6.8898 6.8898 6.9591 6.9591 7.2216 7.2216 7.6417 7.6417 7.7704 7.7704 7.8660 7.8660 8.2211 8.2211 8.2609 8.2609 8.3296 8.3296 8.4144 8.4144 8.5592 8.5592 8.8228 8.8228 9.4030 9.4030 9.4389 9.4389 9.5614 9.5614 9.7091 9.7091 9.8895 9.8895 k =-0.4459 0.3309-0.0000 ( 11256 PWs) bands (ev): -1.6587 -1.6587 -1.3196 -1.3196 -1.1897 -1.1897 -0.8925 -0.8925 -0.8420 -0.8420 -0.7115 -0.7115 3.6242 3.6242 3.8852 3.8852 4.2886 4.2886 4.3276 4.3276 5.3845 5.3845 5.5185 5.5185 6.1639 6.1639 6.5368 6.5368 6.5689 6.5689 6.8217 6.8217 6.9084 6.9084 7.1942 7.1942 7.6356 7.6356 7.7771 7.7771 7.8631 7.8631 8.1750 8.1750 8.2654 8.2654 8.3242 8.3242 8.3737 8.3737 8.5149 8.5149 8.8289 8.8289 9.4113 9.4113 9.4406 9.4406 9.5344 9.5344 9.7148 9.7148 9.8607 9.8607 k =-0.4399 0.3472-0.0000 ( 11232 PWs) bands (ev): -1.6372 -1.6372 -1.2978 -1.2978 -1.1687 -1.1687 -0.8840 -0.8840 -0.8292 -0.8292 -0.6976 -0.6976 3.6542 3.6542 3.9115 3.9115 4.3022 4.3022 4.3406 4.3406 5.3775 5.3775 5.5318 5.5318 6.1570 6.1570 6.4168 6.4168 6.4716 6.4716 6.7352 6.7352 6.8715 6.8715 7.1639 7.1639 7.6264 7.6264 7.7798 7.7798 7.8584 7.8584 8.1216 8.1216 8.2607 8.2607 8.3161 8.3161 8.3369 8.3369 8.4680 8.4680 8.8295 8.8295 9.4263 9.4263 9.4509 9.4509 9.5038 9.5038 9.7133 9.7133 9.8297 9.8297 k =-0.4339 0.3636-0.0000 ( 11226 PWs) bands (ev): -1.6135 -1.6135 -1.2738 -1.2738 -1.1460 -1.1460 -0.8748 -0.8748 -0.8154 -0.8154 -0.6825 -0.6825 3.6870 3.6870 3.9405 3.9405 4.3030 4.3030 4.3686 4.3686 5.3635 5.3635 5.5456 5.5456 6.1411 6.1411 6.2976 6.2976 6.3860 6.3860 6.6415 6.6415 6.8379 6.8379 7.1308 7.1308 7.6123 7.6123 7.7777 7.7777 7.8514 7.8514 8.0657 8.0657 8.2360 8.2360 8.2962 8.2962 8.3219 8.3219 8.4217 8.4217 8.8237 8.8237 9.4481 9.4481 9.4550 9.4550 9.4847 9.4847 9.7060 9.7060 9.7984 9.7984 k =-0.4279 0.3800-0.0000 ( 11224 PWs) bands (ev): -1.5876 -1.5876 -1.2475 -1.2475 -1.1214 -1.1214 -0.8649 -0.8649 -0.8007 -0.8007 -0.6661 -0.6661 3.7224 3.7224 3.9719 3.9719 4.2993 4.2993 4.4032 4.4032 5.3397 5.3397 5.5595 5.5595 6.1011 6.1011 6.1907 6.1907 6.3204 6.3204 6.5448 6.5448 6.8046 6.8046 7.0950 7.0950 7.5915 7.5915 7.7701 7.7701 7.8414 7.8414 8.0101 8.0101 8.1914 8.1914 8.2798 8.2798 8.3085 8.3085 8.3833 8.3833 8.8122 8.8122 9.4214 9.4214 9.4803 9.4803 9.5035 9.5035 9.6952 9.6952 9.7686 9.7686 k =-0.4219 0.3963-0.0000 ( 11234 PWs) bands (ev): -1.5596 -1.5596 -1.2191 -1.2191 -1.0952 -1.0952 -0.8543 -0.8543 -0.7852 -0.7852 -0.6486 -0.6486 3.7604 3.7604 4.0058 4.0058 4.2941 4.2941 4.4414 4.4414 5.3031 5.3031 5.5728 5.5728 6.0109 6.0109 6.1212 6.1212 6.2801 6.2801 6.4471 6.4471 6.7708 6.7708 7.0569 7.0569 7.5615 7.5615 7.7563 7.7563 7.8282 7.8282 7.9573 7.9573 8.1395 8.1395 8.2517 8.2517 8.2934 8.2934 8.3624 8.3624 8.7965 8.7965 9.3827 9.3827 9.5161 9.5161 9.5314 9.5314 9.6832 9.6832 9.7429 9.7429 k =-0.4159 0.4127-0.0000 ( 11246 PWs) bands (ev): -1.5296 -1.5296 -1.1885 -1.1885 -1.0675 -1.0675 -0.8432 -0.8432 -0.7691 -0.7691 -0.6300 -0.6300 3.8007 3.8007 4.0420 4.0420 4.2879 4.2879 4.4823 4.4823 5.2515 5.2515 5.5842 5.5842 5.8943 5.8943 6.0745 6.0745 6.2584 6.2584 6.3515 6.3515 6.7364 6.7364 7.0166 7.0166 7.5205 7.5205 7.7354 7.7354 7.8118 7.8118 7.9092 7.9092 8.0858 8.0858 8.2040 8.2040 8.2860 8.2860 8.3541 8.3541 8.7785 8.7785 9.3435 9.3435 9.5487 9.5487 9.5641 9.5641 9.6737 9.6737 9.7250 9.7250 k =-0.4099 0.4291-0.0000 ( 11254 PWs) bands (ev): -1.4975 -1.4975 -1.1559 -1.1559 -1.0385 -1.0385 -0.8316 -0.8316 -0.7524 -0.7524 -0.6105 -0.6105 3.8431 3.8431 4.0805 4.0805 4.2812 4.2812 4.5256 4.5256 5.1842 5.1842 5.5906 5.5906 5.7754 5.7754 6.0397 6.0397 6.2285 6.2285 6.2768 6.2768 6.7015 6.7015 6.9745 6.9745 7.4678 7.4678 7.7068 7.7068 7.7924 7.7924 7.8663 7.8663 8.0324 8.0324 8.1492 8.1492 8.2817 8.2817 8.3510 8.3510 8.7595 8.7595 9.3056 9.3056 9.5606 9.5606 9.6055 9.6055 9.6749 9.6749 9.7187 9.7187 k =-0.4039 0.4454-0.0000 ( 11252 PWs) bands (ev): -1.4634 -1.4634 -1.1211 -1.1211 -1.0084 -1.0084 -0.8194 -0.8194 -0.7354 -0.7354 -0.5901 -0.5901 3.8874 3.8874 4.1208 4.1208 4.2741 4.2741 4.5707 4.5707 5.1027 5.1027 5.5772 5.5772 5.6722 5.6722 6.0170 6.0170 6.1490 6.1490 6.2610 6.2610 6.6664 6.6664 6.9310 6.9310 7.4044 7.4044 7.6702 7.6702 7.7700 7.7700 7.8277 7.8277 7.9808 7.9808 8.0932 8.0932 8.2779 8.2779 8.3504 8.3504 8.7404 8.7404 9.2705 9.2705 9.5502 9.5502 9.6487 9.6487 9.6873 9.6873 9.7307 9.7307 k =-0.3979 0.4618-0.0000 ( 11250 PWs) bands (ev): -1.4273 -1.4273 -1.0843 -1.0843 -0.9775 -0.9775 -0.8066 -0.8066 -0.7182 -0.7182 -0.5689 -0.5689 3.9332 3.9332 4.1625 4.1625 4.2672 4.2672 4.6175 4.6175 5.0099 5.0099 5.4979 5.4979 5.6298 5.6298 6.0046 6.0046 6.0647 6.0647 6.2602 6.2602 6.6314 6.6314 6.8866 6.8866 7.3321 7.3321 7.6257 7.6257 7.7444 7.7444 7.7915 7.7915 7.9318 7.9318 8.0389 8.0389 8.2733 8.2733 8.3510 8.3510 8.7219 8.7219 9.2391 9.2391 9.5271 9.5271 9.6825 9.6825 9.7075 9.7075 9.7637 9.7637 k =-0.3918 0.4782-0.0000 ( 11254 PWs) bands (ev): -1.3893 -1.3893 -1.0456 -1.0456 -0.9460 -0.9460 -0.7934 -0.7934 -0.7010 -0.7010 -0.5471 -0.5471 3.9800 3.9800 4.2035 4.2035 4.2624 4.2624 4.6654 4.6654 4.9090 4.9090 5.3856 5.3856 5.6122 5.6122 5.9812 5.9812 6.0095 6.0095 6.2626 6.2626 6.5969 6.5969 6.8415 6.8415 7.2535 7.2535 7.5740 7.5740 7.7155 7.7155 7.7554 7.7554 7.8867 7.8867 7.9877 7.9877 8.2673 8.2673 8.3522 8.3522 8.7045 8.7045 9.2123 9.2123 9.4987 9.4987 9.6974 9.6974 9.7453 9.7453 9.8066 9.8067 k =-0.3858 0.4946-0.0000 ( 11240 PWs) bands (ev): -1.3495 -1.3495 -1.0048 -1.0048 -0.9144 -0.9144 -0.7794 -0.7794 -0.6839 -0.6839 -0.5247 -0.5247 4.0271 4.0271 4.2314 4.2314 4.2721 4.2721 4.7137 4.7137 4.8034 4.8034 5.2709 5.2709 5.5846 5.5846 5.9244 5.9244 6.0097 6.0097 6.2666 6.2666 6.5635 6.5635 6.7962 6.7962 7.1705 7.1705 7.5166 7.5166 7.6831 7.6831 7.7171 7.7171 7.8460 7.8460 7.9405 7.9405 8.2598 8.2598 8.3532 8.3532 8.6882 8.6882 9.1909 9.1909 9.4678 9.4678 9.7103 9.7103 9.7850 9.7850 9.8422 9.8422 k =-0.3798 0.5109-0.0000 ( 11252 PWs) bands (ev): -1.3080 -1.3080 -0.9622 -0.9622 -0.8833 -0.8833 -0.7646 -0.7646 -0.6672 -0.6672 -0.5019 -0.5019 4.0731 4.0731 4.2330 4.2330 4.3096 4.3096 4.6949 4.6949 4.7624 4.7624 5.1596 5.1596 5.5392 5.5392 5.8835 5.8835 6.0167 6.0167 6.2716 6.2716 6.5320 6.5320 6.7511 6.7511 7.0853 7.0853 7.4552 7.4552 7.6473 7.6473 7.6759 7.6759 7.8097 7.8097 7.8977 7.8977 8.2505 8.2505 8.3531 8.3531 8.6731 8.6731 9.1751 9.1751 9.4353 9.4353 9.7256 9.7256 9.8198 9.8198 9.8458 9.8458 k =-0.3738 0.5273-0.0000 ( 11278 PWs) bands (ev): -1.2647 -1.2647 -0.9178 -0.9178 -0.8535 -0.8535 -0.7483 -0.7483 -0.6512 -0.6512 -0.4788 -0.4788 4.1152 4.1152 4.2296 4.2296 4.3544 4.3544 4.5877 4.5877 4.8080 4.8080 5.0556 5.0556 5.4779 5.4779 5.8592 5.8592 6.0255 6.0255 6.2773 6.2773 6.5032 6.5032 6.7064 6.7064 6.9993 6.9993 7.3917 7.3917 7.6081 7.6081 7.6324 7.6324 7.7766 7.7766 7.8594 7.8594 8.2396 8.2396 8.3515 8.3515 8.6591 8.6591 9.1651 9.1651 9.4014 9.4014 9.7437 9.7437 9.8325 9.8325 9.8564 9.8564 k =-0.3678 0.5437-0.0000 ( 11268 PWs) bands (ev): -1.2198 -1.2198 -0.8717 -0.8717 -0.8259 -0.8259 -0.7301 -0.7301 -0.6360 -0.6360 -0.4555 -0.4555 4.1452 4.1452 4.2329 4.2329 4.3986 4.3986 4.4836 4.4836 4.8436 4.8436 4.9688 4.9688 5.4067 5.4067 5.8452 5.8452 6.0336 6.0336 6.2833 6.2833 6.4781 6.4781 6.6626 6.6626 6.9142 6.9142 7.3280 7.3280 7.5649 7.5649 7.5885 7.5885 7.7453 7.7453 7.8255 7.8255 8.2276 8.2276 8.3476 8.3476 8.6462 8.6462 9.1607 9.1607 9.3662 9.3662 9.7638 9.7638 9.8307 9.8308 9.8785 9.8785 k =-0.3618 0.5600-0.0000 ( 11260 PWs) bands (ev): -1.1734 -1.1734 -0.8240 -0.8240 -0.8016 -0.8016 -0.7091 -0.7091 -0.6218 -0.6218 -0.4322 -0.4322 4.1505 4.1505 4.2511 4.2511 4.3880 4.3880 4.4379 4.4379 4.8296 4.8296 4.9424 4.9424 5.3318 5.3318 5.8356 5.8356 6.0388 6.0388 6.2895 6.2895 6.4577 6.4577 6.6199 6.6199 6.8315 6.8315 7.2658 7.2658 7.5181 7.5181 7.5451 7.5451 7.7146 7.7146 7.7960 7.7960 8.2148 8.2148 8.3411 8.3411 8.6343 8.6343 9.1614 9.1614 9.3298 9.3298 9.7847 9.7847 9.8352 9.8352 9.8930 9.8930 k =-0.3558 0.5764-0.0000 ( 11270 PWs) bands (ev): -1.1255 -1.1255 -0.7837 -0.7837 -0.7727 -0.7727 -0.6851 -0.6851 -0.6090 -0.6090 -0.4091 -0.4091 4.1286 4.1286 4.2675 4.2675 4.3186 4.3186 4.4646 4.4646 4.7794 4.7794 4.9719 4.9719 5.2576 5.2576 5.8263 5.8263 6.0394 6.0394 6.2960 6.2960 6.4427 6.4427 6.5789 6.5789 6.7530 6.7530 7.2066 7.2066 7.4690 7.4690 7.5020 7.5020 7.6838 7.6838 7.7709 7.7709 8.2017 8.2017 8.3319 8.3319 8.6232 8.6232 9.1667 9.1667 9.2925 9.2925 9.8051 9.8051 9.8480 9.8480 9.8976 9.8976 k =-0.3498 0.5928-0.0000 ( 11286 PWs) bands (ev): -1.0764 -1.0764 -0.7670 -0.7670 -0.7226 -0.7226 -0.6587 -0.6587 -0.5977 -0.5977 -0.3863 -0.3863 4.0780 4.0780 4.2376 4.2376 4.3158 4.3158 4.4702 4.4702 4.7542 4.7542 5.0086 5.0086 5.1875 5.1875 5.8151 5.8151 6.0342 6.0342 6.3028 6.3028 6.4325 6.4325 6.5399 6.5399 6.6808 6.6808 7.1517 7.1517 7.4191 7.4191 7.4590 7.4590 7.6525 7.6525 7.7502 7.7502 8.1891 8.1891 8.3197 8.3197 8.6128 8.6128 9.1756 9.1756 9.2549 9.2549 9.8248 9.8248 9.8675 9.8675 9.8924 9.8924 k =-0.3438 0.6091-0.0000 ( 11274 PWs) bands (ev): -1.0261 -1.0261 -0.7548 -0.7548 -0.6703 -0.6703 -0.6307 -0.6307 -0.5883 -0.5883 -0.3640 -0.3640 4.0051 4.0051 4.2098 4.2098 4.3120 4.3120 4.4633 4.4633 4.7658 4.7658 5.0420 5.0420 5.1252 5.1252 5.8006 5.8006 6.0230 6.0230 6.3095 6.3095 6.4254 6.4254 6.5037 6.5037 6.6176 6.6176 7.1021 7.1021 7.3692 7.3692 7.4158 7.4158 7.6207 7.6207 7.7338 7.7338 8.1774 8.1774 8.3047 8.3047 8.6031 8.6031 9.1847 9.1847 9.2200 9.2200 9.8456 9.8456 9.8713 9.8713 9.8971 9.8971 k =-0.3378 0.6255-0.0000 ( 11302 PWs) bands (ev): -0.9748 -0.9748 -0.7458 -0.7458 -0.6171 -0.6171 -0.6020 -0.6020 -0.5808 -0.5808 -0.3422 -0.3422 3.9245 3.9245 4.1914 4.1914 4.2769 4.2769 4.4642 4.4642 4.8018 4.8018 5.0600 5.0600 5.0828 5.0828 5.7821 5.7821 6.0061 6.0061 6.3154 6.3154 6.4176 6.4176 6.4720 6.4720 6.5673 6.5673 7.0585 7.0585 7.3196 7.3196 7.3726 7.3726 7.5886 7.5886 7.7220 7.7220 8.1673 8.1673 8.2869 8.2869 8.5938 8.5938 9.1689 9.1689 9.2126 9.2126 9.8436 9.8436 9.8710 9.8710 9.9233 9.9233 k =-0.3318 0.6419-0.0000 ( 11306 PWs) bands (ev): -0.9227 -0.9227 -0.7395 -0.7395 -0.5788 -0.5788 -0.5735 -0.5735 -0.5598 -0.5598 -0.3212 -0.3212 3.8446 3.8446 4.1738 4.1738 4.2250 4.2250 4.4697 4.4697 4.8487 4.8487 5.0302 5.0302 5.0949 5.0949 5.7598 5.7598 5.9845 5.9845 6.3189 6.3189 6.4048 6.4048 6.4468 6.4468 6.5342 6.5342 7.0212 7.0212 7.2708 7.2708 7.3296 7.3296 7.5562 7.5562 7.7147 7.7147 8.1592 8.1592 8.2667 8.2667 8.5849 8.5849 9.1324 9.1324 9.2282 9.2282 9.8079 9.8079 9.8973 9.8973 9.9509 9.9509 k =-0.3257 0.6583-0.0000 ( 11294 PWs) bands (ev): -0.8700 -0.8700 -0.7359 -0.7359 -0.5742 -0.5742 -0.5484 -0.5484 -0.5042 -0.5042 -0.3011 -0.3011 3.7689 3.7689 4.1373 4.1373 4.1878 4.1878 4.4696 4.4696 4.8967 4.8967 5.0121 5.0121 5.1058 5.1058 5.7343 5.7343 5.9593 5.9593 6.3180 6.3180 6.3869 6.3869 6.4293 6.4293 6.5192 6.5192 6.9901 6.9901 7.2229 7.2229 7.2872 7.2872 7.5238 7.5238 7.7123 7.7123 8.1536 8.1536 8.2444 8.2444 8.5763 8.5763 9.0941 9.0941 9.2477 9.2477 9.7637 9.7637 9.9267 9.9267 9.9780 9.9780 k =-0.3197 0.6746-0.0000 ( 11306 PWs) bands (ev): -0.8171 -0.8171 -0.7350 -0.7350 -0.5746 -0.5746 -0.5233 -0.5233 -0.4471 -0.4471 -0.2818 -0.2818 3.6994 3.6994 4.0790 4.0790 4.1739 4.1739 4.4592 4.4592 4.9331 4.9331 5.0221 5.0221 5.1077 5.1077 5.7069 5.7069 5.9317 5.9317 6.3128 6.3128 6.3666 6.3666 6.4226 6.4226 6.5163 6.5163 6.9648 6.9648 7.1760 7.1760 7.2457 7.2457 7.4915 7.4915 7.7148 7.7148 8.1507 8.1507 8.2205 8.2205 8.5681 8.5681 9.0557 9.0557 9.2691 9.2691 9.7130 9.7130 9.9584 9.9584 10.0036 10.0036 k =-0.3137 0.6910-0.0000 ( 11306 PWs) bands (ev): -0.7642 -0.7642 -0.7369 -0.7369 -0.5781 -0.5781 -0.5003 -0.5003 -0.3890 -0.3890 -0.2635 -0.2635 3.6370 3.6370 4.0188 4.0188 4.1662 4.1662 4.4390 4.4390 4.9515 4.9515 5.0574 5.0574 5.1048 5.1048 5.6791 5.6791 5.9024 5.9024 6.3069 6.3069 6.3465 6.3465 6.4265 6.4265 6.5189 6.5189 6.9446 6.9446 7.1303 7.1303 7.2053 7.2053 7.4595 7.4595 7.7224 7.7224 8.1501 8.1501 8.1958 8.1958 8.5601 8.5601 9.0179 9.0179 9.2915 9.2915 9.6570 9.6570 9.9916 9.9916 10.0275 10.0275 k =-0.3077 0.7074-0.0000 ( 11298 PWs) bands (ev): -0.7420 -0.7420 -0.7117 -0.7117 -0.5849 -0.5849 -0.4796 -0.4796 -0.3301 -0.3301 -0.2460 -0.2460 3.5825 3.5825 3.9620 3.9620 4.1609 4.1609 4.4122 4.4122 4.9627 4.9627 5.0638 5.0638 5.1352 5.1352 5.6530 5.6530 5.8725 5.8725 6.3013 6.3013 6.3317 6.3317 6.4375 6.4375 6.5230 6.5230 6.9286 6.9286 7.0859 7.0859 7.1664 7.1664 7.4282 7.4282 7.7348 7.7348 8.1488 8.1488 8.1742 8.1742 8.5524 8.5524 8.9809 8.9809 9.3146 9.3146 9.5969 9.5969 10.0249 10.0249 10.0500 10.0500 k =-0.3017 0.7237-0.0000 ( 11274 PWs) bands (ev): -0.7501 -0.7501 -0.6605 -0.6605 -0.5951 -0.5951 -0.4614 -0.4614 -0.2708 -0.2708 -0.2291 -0.2291 3.5365 3.5365 3.9101 3.9101 4.1570 4.1570 4.3821 4.3821 4.9707 4.9707 5.0372 5.0372 5.1942 5.1942 5.6304 5.6304 5.8430 5.8430 6.2907 6.2907 6.3306 6.3306 6.4529 6.4529 6.5267 6.5267 6.9157 6.9157 7.0429 7.0429 7.1294 7.1294 7.3977 7.3977 7.7522 7.7522 8.1332 8.1332 8.1696 8.1696 8.5450 8.5450 8.9449 8.9449 9.3377 9.3377 9.5340 9.5340 10.0544 10.0544 10.0745 10.0745 k =-0.2957 0.7401-0.0000 ( 11290 PWs) bands (ev): -0.7618 -0.7618 -0.6135 -0.6135 -0.6064 -0.6064 -0.4458 -0.4458 -0.2126 -0.2126 -0.2108 -0.2108 3.4995 3.4995 3.8638 3.8638 4.1544 4.1544 4.3519 4.3519 4.9736 4.9736 4.9999 4.9999 5.2578 5.2578 5.6132 5.6132 5.8150 5.8150 6.2765 6.2765 6.3415 6.3415 6.4712 6.4712 6.5291 6.5291 6.9046 6.9046 7.0016 7.0016 7.0946 7.0946 7.3683 7.3683 7.7742 7.7742 8.1080 8.1080 8.1777 8.1777 8.5379 8.5379 8.9100 8.9100 9.3592 9.3592 9.4709 9.4709 10.0747 10.0747 10.1059 10.1059 k =-0.2897 0.7565-0.0000 ( 11294 PWs) bands (ev): -0.7772 -0.7772 -0.6266 -0.6266 -0.5643 -0.5643 -0.4329 -0.4329 -0.1951 -0.1951 -0.1511 -0.1511 3.4717 3.4717 3.8235 3.8235 4.1528 4.1528 4.3237 4.3237 4.9547 4.9547 4.9708 4.9708 5.3223 5.3223 5.6019 5.6019 5.7901 5.7901 6.2631 6.2631 6.3588 6.3588 6.4912 6.4912 6.5305 6.5305 6.8939 6.8939 6.9626 6.9626 7.0626 7.0626 7.3404 7.3404 7.8005 7.8005 8.0815 8.0815 8.1904 8.1904 8.5310 8.5310 8.8764 8.8764 9.3654 9.3654 9.4219 9.4219 10.0891 10.0891 10.1407 10.1407 k =-0.2837 0.7728-0.0000 ( 11294 PWs) bands (ev): -0.7964 -0.7964 -0.6475 -0.6475 -0.5222 -0.5222 -0.4226 -0.4226 -0.1762 -0.1762 -0.0913 -0.0913 3.4535 3.4535 3.7893 3.7893 4.1521 4.1521 4.2992 4.2992 4.9064 4.9064 4.9588 4.9588 5.3861 5.3861 5.5957 5.5957 5.7703 5.7703 6.2520 6.2520 6.3790 6.3790 6.5083 6.5083 6.5351 6.5351 6.8803 6.8803 6.9280 6.9280 7.0339 7.0339 7.3141 7.3141 7.8307 7.8307 8.0557 8.0557 8.2061 8.2061 8.5246 8.5246 8.8443 8.8443 9.3177 9.3177 9.4264 9.4264 10.1003 10.1003 10.1762 10.1762 k =-0.2837 0.7728-0.0000 ( 11294 PWs) bands (ev): -0.7964 -0.7964 -0.6475 -0.6475 -0.5222 -0.5222 -0.4226 -0.4226 -0.1762 -0.1762 -0.0913 -0.0913 3.4535 3.4535 3.7893 3.7893 4.1521 4.1521 4.2992 4.2992 4.9064 4.9064 4.9588 4.9588 5.3861 5.3861 5.5957 5.5957 5.7703 5.7703 6.2520 6.2520 6.3790 6.3790 6.5083 6.5083 6.5351 6.5351 6.8803 6.8803 6.9280 6.9280 7.0339 7.0339 7.3141 7.3141 7.8307 7.8307 8.0557 8.0557 8.2061 8.2061 8.5246 8.5246 8.8443 8.8443 9.3177 9.3177 9.4264 9.4264 10.1003 10.1003 10.1762 10.1762 k =-0.2837 0.7728 0.0165 ( 11295 PWs) bands (ev): -0.7960 -0.7960 -0.6485 -0.6485 -0.5215 -0.5215 -0.4230 -0.4230 -0.1757 -0.1757 -0.0915 -0.0915 3.4546 3.4546 3.7874 3.7874 4.1519 4.1519 4.2985 4.2985 4.9082 4.9082 4.9590 4.9590 5.3894 5.3894 5.5954 5.5954 5.7681 5.7681 6.2520 6.2520 6.3776 6.3776 6.4908 6.4908 6.5545 6.5545 6.8762 6.8762 6.9320 6.9320 7.0321 7.0321 7.3165 7.3165 7.8296 7.8296 8.0527 8.0527 8.2043 8.2043 8.5261 8.5261 8.8424 8.8424 9.3225 9.3225 9.4301 9.4301 10.0994 10.0994 10.1751 10.1751 k =-0.2837 0.7728 0.0330 ( 11287 PWs) bands (ev): -0.7946 -0.7946 -0.6516 -0.6516 -0.5194 -0.5194 -0.4241 -0.4241 -0.1743 -0.1743 -0.0923 -0.0923 3.4581 3.4581 3.7816 3.7816 4.1511 4.1511 4.2961 4.2961 4.9132 4.9132 4.9601 4.9601 5.3986 5.3986 5.5948 5.5948 5.7617 5.7617 6.2521 6.2521 6.3734 6.3734 6.4662 6.4662 6.5847 6.5847 6.8670 6.8670 6.9409 6.9409 7.0268 7.0268 7.3237 7.3237 7.8259 7.8259 8.0445 8.0445 8.1992 8.1992 8.5307 8.5307 8.8367 8.8367 9.3365 9.3365 9.4412 9.4412 10.0967 10.0967 10.1720 10.1720 k =-0.2837 0.7728 0.0496 ( 11293 PWs) bands (ev): -0.7922 -0.7922 -0.6565 -0.6565 -0.5161 -0.5161 -0.4258 -0.4258 -0.1718 -0.1718 -0.0935 -0.0935 3.4639 3.4639 3.7723 3.7723 4.1500 4.1500 4.2922 4.2922 4.9209 4.9209 4.9629 4.9629 5.4111 5.4111 5.5949 5.5949 5.7525 5.7525 6.2514 6.2514 6.3663 6.3663 6.4429 6.4429 6.6175 6.6175 6.8562 6.8562 6.9510 6.9510 7.0193 7.0193 7.3350 7.3350 7.8189 7.8189 8.0328 8.0328 8.1908 8.1908 8.5381 8.5381 8.8277 8.8277 9.3588 9.3588 9.4587 9.4587 10.0923 10.0923 10.1668 10.1668 k =-0.2837 0.7728 0.0661 ( 11286 PWs) bands (ev): -0.7890 -0.7890 -0.6629 -0.6629 -0.5119 -0.5119 -0.4283 -0.4283 -0.1686 -0.1686 -0.0952 -0.0952 3.4719 3.4719 3.7597 3.7597 4.1486 4.1486 4.2867 4.2867 4.9306 4.9306 4.9684 4.9684 5.4235 5.4235 5.5968 5.5968 5.7428 5.7428 6.2489 6.2489 6.3562 6.3562 6.4223 6.4223 6.6516 6.6516 6.8456 6.8456 6.9599 6.9599 7.0109 7.0109 7.3496 7.3496 7.8072 7.8072 8.0203 8.0203 8.1795 8.1795 8.5478 8.5478 8.8161 8.8161 9.3881 9.3881 9.4815 9.4815 10.0863 10.0863 10.1596 10.1596 k =-0.2837 0.7728 0.0826 ( 11279 PWs) bands (ev): -0.7849 -0.7849 -0.6705 -0.6705 -0.5071 -0.5071 -0.4313 -0.4313 -0.1645 -0.1645 -0.0975 -0.0975 3.4820 3.4820 3.7445 3.7445 4.1471 4.1471 4.2800 4.2800 4.9413 4.9413 4.9774 4.9774 5.4318 5.4318 5.6003 5.6003 5.7369 5.7369 6.2420 6.2420 6.3444 6.3444 6.4054 6.4054 6.6856 6.6856 6.8364 6.8364 6.9656 6.9656 7.0039 7.0039 7.3670 7.3670 7.7897 7.7897 8.0096 8.0096 8.1657 8.1657 8.5597 8.5597 8.8024 8.8024 9.4228 9.4228 9.5082 9.5082 10.0790 10.0790 10.1504 10.1504 k =-0.2837 0.7728 0.0991 ( 11279 PWs) bands (ev): -0.7800 -0.7800 -0.6789 -0.6789 -0.5017 -0.5017 -0.4350 -0.4350 -0.1599 -0.1599 -0.1002 -0.1002 3.4942 3.4942 3.7270 3.7270 4.1458 4.1458 4.2722 4.2722 4.9525 4.9525 4.9897 4.9897 5.4338 5.4338 5.6020 5.6020 5.7409 5.7409 6.2274 6.2274 6.3339 6.3339 6.3922 6.3922 6.7178 6.7178 6.8300 6.8300 6.9662 6.9662 7.0006 7.0006 7.3867 7.3867 7.7658 7.7658 8.0029 8.0029 8.1500 8.1500 8.5732 8.5732 8.7870 8.7870 9.4609 9.4609 9.5373 9.5373 10.0704 10.0704 10.1393 10.1393 k =-0.2837 0.7728 0.1156 ( 11281 PWs) bands (ev): -0.7742 -0.7742 -0.6880 -0.6880 -0.4959 -0.4959 -0.4391 -0.4391 -0.1548 -0.1548 -0.1034 -0.1034 3.5083 3.5083 3.7078 3.7078 4.1447 4.1447 4.2639 4.2639 4.9639 4.9639 5.0043 5.0043 5.4298 5.4298 5.5977 5.5977 5.7596 5.7596 6.2028 6.2028 6.3279 6.3279 6.3817 6.3817 6.7451 6.7451 6.8283 6.8283 6.9626 6.9626 7.0004 7.0004 7.4084 7.4084 7.7362 7.7362 8.0009 8.0009 8.1328 8.1328 8.5883 8.5883 8.7704 8.7704 9.5006 9.5006 9.5668 9.5668 10.0609 10.0609 10.1266 10.1266 k =-0.2837 0.7728 0.1322 ( 11290 PWs) bands (ev): -0.7677 -0.7677 -0.6974 -0.6974 -0.4900 -0.4900 -0.4437 -0.4437 -0.1493 -0.1493 -0.1071 -0.1071 3.5241 3.5241 3.6873 3.6873 4.1441 4.1441 4.2556 4.2556 4.9753 4.9753 5.0194 5.0194 5.4220 5.4220 5.5876 5.5876 5.7919 5.7919 6.1691 6.1691 6.3267 6.3267 6.3729 6.3729 6.7633 6.7633 6.8343 6.8343 6.9584 6.9584 7.0003 7.0003 7.4320 7.4320 7.7025 7.7025 8.0034 8.0034 8.1149 8.1149 8.6046 8.6046 8.7529 8.7529 9.5396 9.5396 9.5949 9.5949 10.0510 10.0510 10.1130 10.1130 k =-0.2837 0.7728 0.1487 ( 11307 PWs) bands (ev): -0.7605 -0.7605 -0.7070 -0.7070 -0.4840 -0.4840 -0.4487 -0.4487 -0.1437 -0.1437 -0.1113 -0.1113 3.5415 3.5415 3.6661 3.6661 4.1438 4.1438 4.2482 4.2482 4.9860 4.9860 5.0334 5.0334 5.4128 5.4128 5.5753 5.5753 5.8332 5.8332 6.1287 6.1287 6.3287 6.3287 6.3650 6.3650 6.7711 6.7711 6.8473 6.8473 6.9567 6.9567 6.9982 6.9982 7.4576 7.4576 7.6666 7.6666 8.0098 8.0098 8.0967 8.0967 8.6218 8.6218 8.7347 8.7347 9.5757 9.5757 9.6193 9.6193 10.0415 10.0415 10.0994 10.0994 k =-0.2837 0.7728 0.1652 ( 11312 PWs) bands (ev): -0.7527 -0.7527 -0.7166 -0.7166 -0.4779 -0.4779 -0.4540 -0.4540 -0.1380 -0.1380 -0.1158 -0.1158 3.5602 3.5602 3.6444 3.6444 4.1438 4.1438 4.2421 4.2421 4.9948 4.9948 5.0449 5.0449 5.4044 5.4044 5.5642 5.5642 5.8795 5.8795 6.0841 6.0841 6.3327 6.3327 6.3577 6.3577 6.7732 6.7732 6.8607 6.8607 6.9592 6.9592 6.9933 6.9933 7.4847 7.4847 7.6307 7.6307 8.0193 8.0193 8.0788 8.0788 8.6398 8.6398 8.7160 8.7160 9.6059 9.6059 9.6378 9.6378 10.0334 10.0334 10.0873 10.0873 k =-0.2837 0.7728 0.1817 ( 11302 PWs) bands (ev): -0.7443 -0.7443 -0.7261 -0.7261 -0.4720 -0.4720 -0.4594 -0.4594 -0.1325 -0.1325 -0.1206 -0.1206 3.5800 3.5800 3.6228 3.6228 4.1439 4.1439 4.2382 4.2382 5.0008 5.0008 5.0524 5.0524 5.3985 5.3985 5.5566 5.5566 5.9270 5.9270 6.0379 6.0379 6.3378 6.3378 6.3510 6.3510 6.7733 6.7733 6.8695 6.8695 6.9662 6.9662 6.9856 6.9856 7.5119 7.5119 7.5976 7.5976 8.0313 8.0313 8.0618 8.0618 8.6582 8.6582 8.6973 8.6973 9.6273 9.6273 9.6485 9.6485 10.0277 10.0277 10.0789 10.0789 k =-0.2837 0.7728 0.1982 ( 11298 PWs) bands (ev): -0.7357 -0.7357 -0.7350 -0.7350 -0.4679 -0.4679 -0.4634 -0.4634 -0.1287 -0.1287 -0.1241 -0.1241 3.5977 3.5977 3.6046 3.6046 4.1440 4.1440 4.2369 4.2369 5.0029 5.0029 5.0550 5.0550 5.3964 5.3964 5.5539 5.5539 5.9600 5.9600 6.0054 6.0054 6.3420 6.3420 6.3464 6.3464 6.7733 6.7733 6.8724 6.8724 6.9758 6.9758 6.9760 6.9760 7.5282 7.5282 7.5792 7.5792 8.0433 8.0433 8.0481 8.0481 8.6734 8.6734 8.6820 8.6820 9.6356 9.6356 9.6514 9.6514 10.0257 10.0257 10.0758 10.0758 k =-0.2837 0.7728 0.1982 ( 11298 PWs) bands (ev): -0.7357 -0.7357 -0.7350 -0.7350 -0.4679 -0.4679 -0.4634 -0.4634 -0.1287 -0.1287 -0.1241 -0.1241 3.5977 3.5977 3.6046 3.6046 4.1440 4.1440 4.2369 4.2369 5.0029 5.0029 5.0550 5.0550 5.3964 5.3964 5.5539 5.5539 5.9600 5.9600 6.0054 6.0054 6.3420 6.3420 6.3464 6.3464 6.7733 6.7733 6.8724 6.8724 6.9758 6.9758 6.9760 6.9760 7.5282 7.5282 7.5792 7.5792 8.0433 8.0433 8.0481 8.0481 8.6734 8.6734 8.6820 8.6820 9.6356 9.6356 9.6514 9.6514 10.0257 10.0257 10.0758 10.0758 k =-0.2897 0.7565 0.1982 ( 11306 PWs) bands (ev): -0.7188 -0.7188 -0.7184 -0.7184 -0.4922 -0.4922 -0.4884 -0.4884 -0.1666 -0.1666 -0.1609 -0.1609 3.6212 3.6212 3.6283 3.6283 4.1485 4.1485 4.2467 4.2467 5.0382 5.0382 5.0836 5.0836 5.4071 5.4071 5.5724 5.5724 5.9199 5.9199 5.9626 5.9626 6.3436 6.3436 6.3477 6.3477 6.7817 6.7817 6.8701 6.8701 6.9887 6.9887 6.9983 6.9983 7.5590 7.5590 7.6088 7.6088 8.0432 8.0432 8.0447 8.0447 8.6813 8.6813 8.6889 8.6889 9.6355 9.6355 9.6563 9.6563 10.0364 10.0364 10.0898 10.0898 k =-0.2957 0.7401 0.1982 ( 11296 PWs) bands (ev): -0.7076 -0.7076 -0.7073 -0.7073 -0.5204 -0.5204 -0.5171 -0.5171 -0.2016 -0.2016 -0.1948 -0.1948 3.6529 3.6529 3.6600 3.6600 4.1529 4.1529 4.2556 4.2556 5.0684 5.0684 5.1056 5.1056 5.4270 5.4270 5.5967 5.5967 5.8783 5.8783 5.9199 5.9199 6.3430 6.3430 6.3556 6.3556 6.7880 6.7880 6.8653 6.8653 7.0080 7.0080 7.0285 7.0285 7.5862 7.5862 7.6341 7.6341 8.0477 8.0477 8.0506 8.0506 8.6888 8.6888 8.6954 8.6954 9.6340 9.6340 9.6592 9.6592 10.0456 10.0456 10.1012 10.1012 k =-0.3017 0.7237 0.1982 ( 11300 PWs) bands (ev): -0.7033 -0.7033 -0.7027 -0.7027 -0.5506 -0.5506 -0.5476 -0.5476 -0.2341 -0.2341 -0.2263 -0.2263 3.6926 3.6926 3.6996 3.6996 4.1568 4.1568 4.2626 4.2626 5.0927 5.0927 5.1215 5.1215 5.4552 5.4552 5.6263 5.6263 5.8361 5.8361 5.8782 5.8782 6.3449 6.3449 6.3654 6.3654 6.7934 6.7934 6.8618 6.8618 7.0328 7.0328 7.0633 7.0633 7.6095 7.6095 7.6551 7.6551 8.0574 8.0574 8.0655 8.0655 8.6960 8.6960 8.7014 8.7014 9.6310 9.6310 9.6602 9.6602 10.0527 10.0527 10.1095 10.1095 k =-0.3077 0.7074 0.1982 ( 11278 PWs) bands (ev): -0.7080 -0.7080 -0.7069 -0.7069 -0.5796 -0.5796 -0.5767 -0.5767 -0.2644 -0.2644 -0.2559 -0.2559 3.7398 3.7398 3.7467 3.7467 4.1597 4.1597 4.2671 4.2671 5.1111 5.1111 5.1326 5.1326 5.4893 5.4893 5.6582 5.6582 5.7948 5.7948 5.8402 5.8402 6.3498 6.3498 6.3769 6.3769 6.7995 6.7995 6.8615 6.8615 7.0619 7.0619 7.1014 7.1014 7.6290 7.6290 7.6725 7.6725 8.0733 8.0733 8.0870 8.0870 8.7029 8.7029 8.7070 8.7070 9.6265 9.6265 9.6593 9.6593 10.0574 10.0574 10.1144 10.1144 k =-0.3137 0.6910 0.1982 ( 11282 PWs) bands (ev): -0.7244 -0.7244 -0.7226 -0.7226 -0.6037 -0.6037 -0.6007 -0.6007 -0.2933 -0.2933 -0.2842 -0.2842 3.7939 3.7939 3.8007 3.8007 4.1615 4.1615 4.2686 4.2686 5.1244 5.1244 5.1413 5.1413 5.5251 5.5251 5.6842 5.6842 5.7570 5.7570 5.8136 5.8136 6.3576 6.3576 6.3900 6.3900 6.8078 6.8078 6.8657 6.8657 7.0946 7.0946 7.1420 7.1420 7.6456 7.6456 7.6873 7.6873 8.0942 8.0942 8.1136 8.1136 8.7096 8.7096 8.7124 8.7124 9.6203 9.6203 9.6564 9.6564 10.0596 10.0596 10.1161 10.1161 k =-0.3197 0.6746 0.1982 ( 11276 PWs) bands (ev): -0.7527 -0.7527 -0.7505 -0.7505 -0.6213 -0.6213 -0.6182 -0.6182 -0.3211 -0.3211 -0.3117 -0.3117 3.8537 3.8537 3.8610 3.8610 4.1625 4.1625 4.2667 4.2667 5.1333 5.1333 5.1494 5.1494 5.5547 5.5547 5.6856 5.6856 5.7288 5.7288 5.8163 5.8163 6.3681 6.3681 6.4043 6.4043 6.8197 6.8197 6.8754 6.8754 7.1302 7.1302 7.1848 7.1848 7.6601 7.6601 7.7009 7.7009 8.1188 8.1188 8.1435 8.1435 8.7164 8.7164 8.7178 8.7178 9.6122 9.6122 9.6514 9.6514 10.0595 10.0595 10.1152 10.1152 k =-0.3257 0.6583 0.1982 ( 11280 PWs) bands (ev): -0.7898 -0.7898 -0.7875 -0.7875 -0.6345 -0.6345 -0.6315 -0.6315 -0.3482 -0.3482 -0.3386 -0.3386 3.9169 3.9169 3.9260 3.9260 4.1639 4.1639 4.2620 4.2620 5.1388 5.1388 5.1583 5.1583 5.5644 5.5644 5.6606 5.6606 5.7231 5.7231 5.8490 5.8490 6.3808 6.3808 6.4192 6.4192 6.8365 6.8365 6.8915 6.8915 7.1681 7.1681 7.2297 7.2297 7.6736 7.6736 7.7143 7.7143 8.1455 8.1455 8.1750 8.1750 8.7237 8.7237 8.7239 8.7239 9.6022 9.6022 9.6443 9.6443 10.0575 10.0575 10.1121 10.1121 k =-0.3318 0.6419 0.1982 ( 11268 PWs) bands (ev): -0.8320 -0.8320 -0.8297 -0.8297 -0.6465 -0.6465 -0.6435 -0.6435 -0.3747 -0.3747 -0.3652 -0.3652 3.9781 3.9781 3.9932 3.9932 4.1703 4.1703 4.2563 4.2563 5.1418 5.1418 5.1687 5.1687 5.5477 5.5477 5.6258 5.6258 5.7458 5.7458 5.8947 5.8947 6.3950 6.3950 6.4344 6.4344 6.8595 6.8595 6.9144 6.9144 7.2081 7.2081 7.2765 7.2765 7.6868 7.6868 7.7284 7.7284 8.1726 8.1726 8.2064 8.2064 8.7304 8.7304 8.7324 8.7324 9.5901 9.5901 9.6350 9.6350 10.0543 10.0543 10.1076 10.1076 k =-0.3378 0.6255 0.1982 ( 11274 PWs) bands (ev): -0.8768 -0.8768 -0.8745 -0.8745 -0.6590 -0.6590 -0.6559 -0.6559 -0.4007 -0.4007 -0.3914 -0.3914 4.0251 4.0251 4.0559 4.0559 4.1931 4.1931 4.2555 4.2555 5.1430 5.1430 5.1809 5.1809 5.5161 5.5161 5.5894 5.5894 5.7851 5.7851 5.9447 5.9447 6.4099 6.4099 6.4495 6.4495 6.8897 6.8897 6.9447 6.9447 7.2499 7.2499 7.3251 7.3251 7.7004 7.7004 7.7438 7.7438 8.1988 8.1988 8.2362 8.2362 8.7384 8.7384 8.7427 8.7427 9.5758 9.5758 9.6234 9.6234 10.0503 10.0503 10.1023 10.1023 k =-0.3438 0.6091 0.1982 ( 11262 PWs) bands (ev): -0.9228 -0.9228 -0.9205 -0.9205 -0.6729 -0.6729 -0.6698 -0.6698 -0.4263 -0.4263 -0.4173 -0.4173 4.0444 4.0444 4.0990 4.0990 4.2447 4.2447 4.2741 4.2741 5.1427 5.1427 5.1950 5.1950 5.4798 5.4798 5.5543 5.5543 5.8312 5.8312 5.9963 5.9963 6.4249 6.4249 6.4643 6.4643 6.9275 6.9275 6.9822 6.9822 7.2933 7.2933 7.3753 7.3753 7.7149 7.7149 7.7609 7.7609 8.2228 8.2228 8.2632 8.2632 8.7482 8.7482 8.7552 8.7552 9.5594 9.5594 9.6096 9.6096 10.0460 10.0460 10.0970 10.0970 k =-0.3498 0.5928 0.1982 ( 11270 PWs) bands (ev): -0.9691 -0.9691 -0.9668 -0.9668 -0.6887 -0.6887 -0.6854 -0.6854 -0.4512 -0.4512 -0.4426 -0.4426 4.0411 4.0411 4.1085 4.1085 4.3192 4.3192 4.3254 4.3254 5.1413 5.1413 5.2107 5.2107 5.4434 5.4434 5.5221 5.5221 5.8802 5.8802 6.0480 6.0480 6.4397 6.4397 6.4792 6.4792 6.9730 6.9730 7.0264 7.0264 7.3381 7.3381 7.4272 7.4272 7.7305 7.7305 7.7798 7.7798 8.2438 8.2438 8.2866 8.2866 8.7601 8.7601 8.7704 8.7704 9.5412 9.5412 9.5941 9.5941 10.0419 10.0419 10.0920 10.0920 k =-0.3558 0.5764 0.1982 ( 11274 PWs) bands (ev): -1.0152 -1.0152 -1.0129 -1.0129 -0.7063 -0.7063 -0.7028 -0.7028 -0.4754 -0.4754 -0.4673 -0.4673 4.0258 4.0258 4.0939 4.0939 4.3986 4.3986 4.4047 4.4047 5.1392 5.1392 5.2278 5.2278 5.4092 5.4092 5.4942 5.4942 5.9304 5.9304 6.0991 6.0991 6.4544 6.4544 6.4942 6.4942 7.0256 7.0256 7.0767 7.0767 7.3843 7.3843 7.4806 7.4806 7.7473 7.7473 7.8006 7.8006 8.2612 8.2612 8.3059 8.3059 8.7742 8.7742 8.7884 8.7884 9.5216 9.5216 9.5771 9.5771 10.0382 10.0382 10.0877 10.0877 k =-0.3618 0.5600 0.1982 ( 11270 PWs) bands (ev): -1.0606 -1.0606 -1.0583 -1.0583 -0.7257 -0.7257 -0.7220 -0.7220 -0.4988 -0.4988 -0.4912 -0.4912 4.0037 4.0037 4.0680 4.0680 4.4794 4.4794 4.4939 4.4939 5.1374 5.1374 5.2465 5.2465 5.3792 5.3792 5.4716 5.4716 5.9812 5.9812 6.1492 6.1492 6.4694 6.4694 6.5100 6.5100 7.0842 7.0842 7.1318 7.1318 7.4317 7.4317 7.5353 7.5353 7.7653 7.7653 7.8231 7.8231 8.2749 8.2749 8.3211 8.3211 8.7902 8.7902 8.8088 8.8088 9.5013 9.5013 9.5595 9.5595 10.0351 10.0351 10.0842 10.0842 k =-0.3678 0.5437 0.1982 ( 11266 PWs) bands (ev): -1.1050 -1.1050 -1.1028 -1.1028 -0.7468 -0.7468 -0.7428 -0.7428 -0.5213 -0.5213 -0.5143 -0.5143 3.9774 3.9774 4.0363 4.0363 4.5597 4.5597 4.5816 4.5816 5.1380 5.1380 5.2676 5.2676 5.3552 5.3552 5.4551 5.4551 6.0321 6.0321 6.1978 6.1978 6.4855 6.4855 6.5271 6.5271 7.1474 7.1474 7.1906 7.1906 7.4804 7.4804 7.5912 7.5912 7.7847 7.7847 7.8472 7.8472 8.2854 8.2854 8.3328 8.3328 8.8075 8.8075 8.8308 8.8308 9.4811 9.4811 9.5421 9.5421 10.0327 10.0327 10.0818 10.0818 k =-0.3738 0.5273 0.1982 ( 11276 PWs) bands (ev): -1.1483 -1.1483 -1.1462 -1.1462 -0.7692 -0.7692 -0.7651 -0.7651 -0.5428 -0.5428 -0.5364 -0.5364 3.9480 3.9480 4.0013 4.0013 4.6333 4.6333 4.6616 4.6616 5.1447 5.1447 5.2920 5.2920 5.3401 5.3401 5.4460 5.4460 6.0830 6.0830 6.2444 6.2444 6.5036 6.5036 6.5458 6.5458 7.2132 7.2132 7.2516 7.2516 7.5303 7.5303 7.6479 7.6479 7.8055 7.8055 7.8727 7.8727 8.2931 8.2931 8.3417 8.3417 8.8253 8.8253 8.8534 8.8534 9.4621 9.4621 9.5258 9.5258 10.0308 10.0308 10.0802 10.0802 k =-0.3798 0.5109 0.1982 ( 11276 PWs) bands (ev): -1.1903 -1.1903 -1.1883 -1.1883 -0.7927 -0.7927 -0.7884 -0.7884 -0.5634 -0.5634 -0.5575 -0.5575 3.9165 3.9165 3.9643 3.9643 4.6941 4.6941 4.7264 4.7264 5.1625 5.1625 5.3112 5.3112 5.3471 5.3471 5.4458 5.4458 6.1335 6.1335 6.2886 6.2886 6.5245 6.5245 6.5667 6.5667 7.2798 7.2798 7.3132 7.3132 7.5818 7.5818 7.7047 7.7047 7.8282 7.8282 7.8997 7.8997 8.2990 8.2990 8.3488 8.3488 8.8426 8.8426 8.8753 8.8753 9.4454 9.4454 9.5116 9.5116 10.0292 10.0292 10.0794 10.0794 k =-0.3858 0.4946 0.1982 ( 11280 PWs) bands (ev): -1.2308 -1.2308 -1.2288 -1.2288 -0.8170 -0.8170 -0.8126 -0.8126 -0.5830 -0.5830 -0.5777 -0.5777 3.8836 3.8836 3.9262 3.9262 4.7374 4.7374 4.7692 4.7692 5.1937 5.1937 5.3127 5.3127 5.3924 5.3924 5.4582 5.4582 6.1834 6.1834 6.3297 6.3297 6.5491 6.5491 6.5901 6.5901 7.3449 7.3449 7.3739 7.3739 7.6350 7.6350 7.7604 7.7604 7.8542 7.8542 7.9279 7.9279 8.3039 8.3039 8.3552 8.3552 8.8586 8.8586 8.8951 8.8951 9.4323 9.4323 9.5005 9.5005 10.0275 10.0275 10.0791 10.0791 k =-0.3918 0.4782 0.1982 ( 11278 PWs) bands (ev): -1.2697 -1.2697 -1.2678 -1.2678 -0.8417 -0.8417 -0.8372 -0.8372 -0.6017 -0.6017 -0.5969 -0.5969 3.8498 3.8498 3.8876 3.8876 4.7618 4.7618 4.7888 4.7888 5.2322 5.2322 5.3123 5.3123 5.4609 5.4609 5.4901 5.4901 6.2323 6.2323 6.3673 6.3673 6.5781 6.5781 6.6163 6.6163 7.4062 7.4062 7.4318 7.4318 7.6904 7.6904 7.8118 7.8118 7.8865 7.8865 7.9573 7.9573 8.3084 8.3084 8.3617 8.3617 8.8727 8.8727 8.9118 8.9118 9.4238 9.4238 9.4931 9.4931 10.0252 10.0252 10.0786 10.0786 k =-0.3979 0.4618 0.1982 ( 11254 PWs) bands (ev): -1.3070 -1.3070 -1.3051 -1.3051 -0.8665 -0.8665 -0.8620 -0.8620 -0.6195 -0.6195 -0.6151 -0.6151 3.8157 3.8157 3.8491 3.8491 4.7696 4.7696 4.7903 4.7903 5.2652 5.2652 5.3127 5.3127 5.5473 5.5473 5.5483 5.5483 6.2799 6.2799 6.4012 6.4012 6.6115 6.6115 6.6453 6.6453 7.4616 7.4616 7.4851 7.4851 7.7478 7.7478 7.8549 7.8549 7.9293 7.9293 7.9884 7.9884 8.3133 8.3133 8.3690 8.3690 8.8848 8.8848 8.9248 8.9248 9.4208 9.4208 9.4901 9.4901 10.0214 10.0214 10.0770 10.0770 k =-0.4039 0.4454 0.1982 ( 11238 PWs) bands (ev): -1.3424 -1.3424 -1.3407 -1.3407 -0.8912 -0.8912 -0.8867 -0.8867 -0.6364 -0.6364 -0.6324 -0.6324 3.7816 3.7816 3.8112 3.8112 4.7650 4.7650 4.7801 4.7801 5.2863 5.2863 5.3131 5.3131 5.6326 5.6326 5.6473 5.6473 6.3259 6.3259 6.4319 6.4319 6.6489 6.6489 6.6772 6.6772 7.5095 7.5095 7.5319 7.5319 7.8068 7.8068 7.8906 7.8906 7.9821 7.9821 8.0213 8.0213 8.3186 8.3186 8.3774 8.3774 8.8951 8.8951 8.9340 8.9340 9.4234 9.4234 9.4916 9.4916 10.0149 10.0149 10.0731 10.0731 k =-0.4099 0.4291 0.1982 ( 11250 PWs) bands (ev): -1.3760 -1.3760 -1.3743 -1.3743 -0.9154 -0.9154 -0.9111 -0.9111 -0.6524 -0.6524 -0.6488 -0.6488 3.7481 3.7481 3.7741 3.7741 4.7524 4.7524 4.7630 4.7630 5.2975 5.2975 5.3129 5.3129 5.7353 5.7353 5.7569 5.7569 6.3702 6.3702 6.4600 6.4600 6.6895 6.6895 6.7120 6.7120 7.5493 7.5493 7.5709 7.5709 7.8660 7.8660 7.9233 7.9233 8.0401 8.0401 8.0567 8.0567 8.3244 8.3244 8.3869 8.3869 8.9045 8.9045 8.9404 8.9404 9.4314 9.4314 9.4972 9.4972 10.0044 10.0044 10.0652 10.0652 k =-0.4159 0.4127 0.1982 ( 11258 PWs) bands (ev): -1.4077 -1.4077 -1.4061 -1.4061 -0.9390 -0.9390 -0.9348 -0.9348 -0.6675 -0.6675 -0.6642 -0.6642 3.7153 3.7153 3.7382 3.7382 4.7349 4.7349 4.7423 4.7423 5.3027 5.3027 5.3120 5.3120 5.8490 5.8490 5.8724 5.8724 6.4129 6.4129 6.4862 6.4862 6.7324 6.7324 6.7494 6.7494 7.5809 7.5809 7.6014 7.6014 7.9228 7.9228 7.9557 7.9557 8.0953 8.0953 8.1001 8.1001 8.3302 8.3302 8.3973 8.3973 8.9142 8.9142 8.9454 8.9454 9.4438 9.4438 9.5066 9.5066 9.9887 9.9887 10.0514 10.0514 k =-0.4219 0.3963 0.1982 ( 11250 PWs) bands (ev): -1.4374 -1.4374 -1.4359 -1.4359 -0.9617 -0.9617 -0.9576 -0.9576 -0.6817 -0.6817 -0.6788 -0.6788 3.6838 3.6838 3.7038 3.7038 4.7147 4.7147 4.7199 4.7199 5.3044 5.3044 5.3102 5.3102 5.9683 5.9683 5.9907 5.9907 6.4544 6.4544 6.5113 6.5113 6.7768 6.7768 6.7891 6.7891 7.6052 7.6052 7.6235 7.6235 7.9746 7.9746 7.9880 7.9880 8.1373 8.1373 8.1603 8.1603 8.3358 8.3358 8.4084 8.4084 8.9255 8.9255 8.9507 8.9507 9.4595 9.4595 9.5189 9.5189 9.9674 9.9674 10.0310 10.0310 k =-0.4279 0.3800 0.1982 ( 11238 PWs) bands (ev): -1.4650 -1.4650 -1.4637 -1.4637 -0.9833 -0.9833 -0.9795 -0.9795 -0.6950 -0.6950 -0.6923 -0.6923 3.6536 3.6536 3.6712 3.6712 4.6934 4.6934 4.6970 4.6970 5.3039 5.3039 5.3077 5.3077 6.0898 6.0898 6.1086 6.1086 6.4958 6.4958 6.5361 6.5361 6.8218 6.8218 6.8306 6.8306 7.6232 7.6232 7.6383 7.6383 8.0190 8.0190 8.0194 8.0194 8.1815 8.1815 8.2193 8.2193 8.3407 8.3407 8.4203 8.4203 8.9398 8.9398 8.9583 8.9583 9.4771 9.4771 9.5334 9.5334 9.9413 9.9413 10.0045 10.0045 k =-0.4339 0.3636 0.1982 ( 11246 PWs) bands (ev): -1.4906 -1.4906 -1.4894 -1.4894 -1.0037 -1.0037 -1.0001 -1.0001 -0.7073 -0.7073 -0.7049 -0.7049 3.6251 3.6251 3.6404 3.6404 4.6719 4.6719 4.6744 4.6744 5.3020 5.3020 5.3046 5.3046 6.2101 6.2101 6.2222 6.2222 6.5394 6.5394 6.5619 6.5619 6.8671 6.8671 6.8735 6.8735 7.6362 7.6362 7.6471 7.6471 8.0469 8.0469 8.0561 8.0561 8.2245 8.2245 8.2744 8.2744 8.3465 8.3465 8.4340 8.4340 8.9579 8.9579 8.9698 8.9698 9.4951 9.4951 9.5490 9.5490 9.9120 9.9120 9.9737 9.9737 k =-0.4399 0.3472 0.1982 ( 11254 PWs) bands (ev): -1.5141 -1.5141 -1.5130 -1.5130 -1.0227 -1.0227 -1.0194 -1.0194 -0.7187 -0.7187 -0.7166 -0.7166 3.5985 3.5985 3.6118 3.6118 4.6510 4.6510 4.6527 4.6527 5.2992 5.2992 5.3011 5.3011 6.3248 6.3248 6.3256 6.3256 6.5894 6.5894 6.5913 6.5913 6.9121 6.9121 6.9174 6.9174 7.6455 7.6455 7.6515 7.6515 8.0698 8.0698 8.0847 8.0847 8.2612 8.2612 8.3154 8.3154 8.3628 8.3628 8.4521 8.4521 8.9804 8.9804 8.9862 8.9862 9.5117 9.5117 9.5641 9.5641 9.8815 9.8815 9.9407 9.9407 k =-0.4459 0.3309 0.1982 ( 11256 PWs) bands (ev): -1.5355 -1.5355 -1.5344 -1.5344 -1.0403 -1.0403 -1.0372 -1.0372 -0.7290 -0.7290 -0.7272 -0.7272 3.5740 3.5740 3.5854 3.5854 4.6311 4.6311 4.6323 4.6323 5.2960 5.2960 5.2972 5.2972 6.4108 6.4108 6.4258 6.4258 6.6306 6.6306 6.6520 6.6520 6.9566 6.9566 6.9623 6.9623 7.6521 7.6521 7.6526 7.6526 8.0855 8.0855 8.1048 8.1048 8.2869 8.2869 8.3280 8.3280 8.4036 8.4036 8.4773 8.4773 9.0074 9.0074 9.0082 9.0082 9.5248 9.5248 9.5766 9.5766 9.8521 9.8521 9.9078 9.9078 k =-0.4519 0.3145 0.1982 ( 11264 PWs) bands (ev): -1.5547 -1.5547 -1.5537 -1.5537 -1.0562 -1.0562 -1.0534 -1.0534 -0.7384 -0.7384 -0.7368 -0.7368 3.5516 3.5516 3.5614 3.5614 4.6127 4.6127 4.6135 4.6135 5.2925 5.2925 5.2934 5.2934 6.4733 6.4733 6.5008 6.5008 6.6902 6.6902 6.7296 6.7296 7.0008 7.0008 7.0086 7.0086 7.6518 7.6518 7.6575 7.6575 8.0923 8.0923 8.1154 8.1154 8.3008 8.3008 8.3299 8.3299 8.4518 8.4518 8.5097 8.5097 9.0356 9.0356 9.0384 9.0384 9.5321 9.5321 9.5834 9.5834 9.8263 9.8263 9.8769 9.8769 k =-0.4579 0.2981 0.1982 ( 11244 PWs) bands (ev): -1.5716 -1.5716 -1.5708 -1.5708 -1.0704 -1.0704 -1.0680 -1.0680 -0.7467 -0.7467 -0.7453 -0.7453 3.5317 3.5317 3.5399 3.5399 4.5959 4.5959 4.5965 4.5965 5.2889 5.2889 5.2895 5.2895 6.5164 6.5164 6.5462 6.5462 6.7709 6.7709 6.8151 6.8151 7.0451 7.0451 7.0576 7.0576 7.6499 7.6499 7.6624 7.6624 8.0891 8.0891 8.1151 8.1151 8.3069 8.3069 8.3300 8.3300 8.4984 8.4984 8.5457 8.5457 9.0681 9.0681 9.0726 9.0726 9.5312 9.5312 9.5812 9.5812 9.8060 9.8060 9.8493 9.8493 k =-0.4639 0.2818 0.1982 ( 11228 PWs) bands (ev): -1.5864 -1.5864 -1.5856 -1.5856 -1.0829 -1.0829 -1.0807 -1.0807 -0.7540 -0.7540 -0.7528 -0.7528 3.5142 3.5142 3.5211 3.5211 4.5811 4.5811 4.5815 4.5815 5.2855 5.2855 5.2859 5.2859 6.5469 6.5469 6.5731 6.5731 6.8579 6.8579 6.8971 6.8971 7.0910 7.0910 7.1118 7.1118 7.6482 7.6482 7.6681 7.6681 8.0756 8.0756 8.1027 8.1027 8.3098 8.3098 8.3302 8.3302 8.5415 8.5415 8.5814 8.5814 9.1047 9.1047 9.1091 9.1091 9.5209 9.5209 9.5681 9.5681 9.7908 9.7908 9.8255 9.8255 k =-0.4700 0.2654 0.1982 ( 11228 PWs) bands (ev): -1.5989 -1.5989 -1.5982 -1.5982 -1.0935 -1.0935 -1.0917 -1.0917 -0.7602 -0.7602 -0.7592 -0.7592 3.4993 3.4993 3.5049 3.5049 4.5684 4.5684 4.5686 4.5686 5.2824 5.2824 5.2827 5.2827 6.5694 6.5694 6.5907 6.5907 6.9371 6.9371 6.9658 6.9658 7.1409 7.1409 7.1734 7.1734 7.6480 7.6480 7.6756 7.6756 8.0527 8.0527 8.0782 8.0782 8.3123 8.3123 8.3308 8.3308 8.5801 8.5801 8.6139 8.6139 9.1446 9.1446 9.1472 9.1472 9.5017 9.5017 9.5453 9.5453 9.7779 9.7779 9.8045 9.8045 k =-0.4760 0.2490 0.1982 ( 11230 PWs) bands (ev): -1.6091 -1.6091 -1.6085 -1.6085 -1.1022 -1.1022 -1.1008 -1.1008 -0.7652 -0.7652 -0.7644 -0.7644 3.4871 3.4871 3.4915 3.4915 4.5578 4.5578 4.5580 4.5580 5.2797 5.2797 5.2799 5.2799 6.5865 6.5865 6.6029 6.6029 6.9999 6.9999 7.0170 7.0170 7.1963 7.1963 7.2399 7.2399 7.6512 7.6512 7.6859 7.6859 8.0219 8.0219 8.0433 8.0433 8.3154 8.3154 8.3314 8.3314 8.6136 8.6136 8.6415 8.6415 9.1858 9.1858 9.1868 9.1868 9.4755 9.4755 9.5155 9.5155 9.7653 9.7653 9.7855 9.7855 k =-0.4820 0.2326 0.1982 ( 11230 PWs) bands (ev): -1.6171 -1.6171 -1.6166 -1.6166 -1.1090 -1.1090 -1.1079 -1.1079 -0.7691 -0.7691 -0.7686 -0.7686 3.4777 3.4777 3.4809 3.4809 4.5495 4.5495 4.5496 4.5496 5.2775 5.2775 5.2776 5.2776 6.5993 6.5993 6.6112 6.6112 7.0440 7.0440 7.0528 7.0528 7.2545 7.2545 7.3023 7.3023 7.6608 7.6608 7.6999 7.6999 7.9857 7.9857 8.0008 8.0008 8.3188 8.3188 8.3315 8.3315 8.6412 8.6412 8.6628 8.6628 9.2245 9.2245 9.2302 9.2302 9.4447 9.4447 9.4812 9.4812 9.7533 9.7533 9.7684 9.7684 k =-0.4880 0.2163 0.1982 ( 11238 PWs) bands (ev): -1.6227 -1.6227 -1.6224 -1.6224 -1.1138 -1.1138 -1.1131 -1.1131 -0.7719 -0.7719 -0.7715 -0.7715 3.4711 3.4711 3.4732 3.4732 4.5435 4.5435 4.5436 4.5436 5.2758 5.2758 5.2759 5.2759 6.6086 6.6086 6.6164 6.6164 7.0723 7.0723 7.0764 7.0764 7.3080 7.3080 7.3495 7.3495 7.6799 7.6799 7.7167 7.7167 7.9477 7.9477 7.9554 7.9554 8.3222 8.3222 8.3310 8.3310 8.6626 8.6626 8.6774 8.6774 9.2626 9.2626 9.2739 9.2739 9.4113 9.4113 9.4440 9.4440 9.7436 9.7436 9.7541 9.7541 k =-0.4940 0.1999 0.1982 ( 11234 PWs) bands (ev): -1.6262 -1.6262 -1.6259 -1.6259 -1.1167 -1.1167 -1.1163 -1.1163 -0.7736 -0.7736 -0.7734 -0.7734 3.4673 3.4673 3.4683 3.4683 4.5399 4.5399 4.5399 4.5399 5.2748 5.2748 5.2749 5.2749 6.6148 6.6148 6.6186 6.6186 7.0881 7.0881 7.0897 7.0897 7.3492 7.3492 7.3735 7.3735 7.7071 7.7071 7.7311 7.7311 7.9147 7.9147 7.9161 7.9161 8.3253 8.3253 8.3298 8.3298 8.6772 8.6772 8.6847 8.6847 9.2997 9.2997 9.3161 9.3161 9.3775 9.3775 9.4049 9.4049 9.7382 9.7382 9.7436 9.7436 k =-0.5000 0.1835 0.1982 ( 11236 PWs) bands (ev): -1.6273 -1.6273 -1.6270 -1.6270 -1.1176 -1.1176 -1.1174 -1.1174 -0.7741 -0.7741 -0.7740 -0.7740 3.4663 3.4663 3.4664 3.4664 4.5387 4.5387 4.5387 4.5387 5.2745 5.2745 5.2746 5.2746 6.6181 6.6181 6.6182 6.6182 7.0935 7.0935 7.0937 7.0937 7.3724 7.3724 7.3725 7.3725 7.7296 7.7296 7.7296 7.7296 7.8996 7.8996 7.8997 7.8997 8.3278 8.3278 8.3279 8.3279 8.6845 8.6845 8.6847 8.6847 9.3327 9.3327 9.3328 9.3328 9.3674 9.3674 9.3675 9.3675 9.7381 9.7381 9.7382 9.7382 k =-0.5000 0.1835 0.1982 ( 11236 PWs) bands (ev): -1.6273 -1.6273 -1.6270 -1.6270 -1.1176 -1.1176 -1.1174 -1.1174 -0.7741 -0.7741 -0.7740 -0.7740 3.4663 3.4663 3.4664 3.4664 4.5387 4.5387 4.5387 4.5387 5.2745 5.2745 5.2746 5.2746 6.6181 6.6181 6.6182 6.6182 7.0935 7.0935 7.0937 7.0937 7.3724 7.3724 7.3725 7.3725 7.7296 7.7296 7.7296 7.7296 7.8996 7.8996 7.8997 7.8997 8.3278 8.3278 8.3279 8.3279 8.6845 8.6845 8.6847 8.6847 9.3327 9.3327 9.3328 9.3328 9.3674 9.3674 9.3675 9.3675 9.7381 9.7381 9.7382 9.7382 k =-0.5000 0.1835 0.1817 ( 11228 PWs) bands (ev): -1.6459 -1.6459 -1.6074 -1.6074 -1.1377 -1.1377 -1.0964 -1.0964 -0.7870 -0.7870 -0.7632 -0.7632 3.4381 3.4381 3.5014 3.5014 4.4596 4.4596 4.6139 4.6139 5.2350 5.2350 5.3110 5.3110 6.5512 6.5512 6.6893 6.6893 7.0804 7.0804 7.1076 7.1076 7.3657 7.3657 7.3792 7.3792 7.7009 7.7009 7.7603 7.7603 7.8820 7.8820 7.9170 7.9170 8.2913 8.2913 8.3608 8.3608 8.6721 8.6721 8.6965 8.6965 9.3005 9.3005 9.3527 9.3527 9.3726 9.3726 9.3753 9.3753 9.7222 9.7222 9.7511 9.7511 k =-0.5000 0.1835 0.1652 ( 11232 PWs) bands (ev): -1.6634 -1.6634 -1.5867 -1.5867 -1.1571 -1.1571 -1.0748 -1.0748 -0.8017 -0.8017 -0.7546 -0.7546 3.4167 3.4167 3.5429 3.5429 4.3788 4.3788 4.6814 4.6814 5.1954 5.1954 5.3432 5.3432 6.4891 6.4891 6.7634 6.7634 7.0683 7.0683 7.1223 7.1223 7.3589 7.3589 7.3860 7.3860 7.6752 7.6752 7.7904 7.7904 7.8666 7.8666 7.9335 7.9335 8.2519 8.2519 8.3893 8.3893 8.6596 8.6596 8.7074 8.7074 9.2623 9.2624 9.3585 9.3585 9.3868 9.3868 9.3952 9.3952 9.7040 9.7040 9.7608 9.7608 k =-0.5000 0.1835 0.1487 ( 11224 PWs) bands (ev): -1.6795 -1.6795 -1.5653 -1.5653 -1.1755 -1.1755 -1.0527 -1.0527 -0.8177 -0.8177 -0.7485 -0.7485 3.4023 3.4023 3.5906 3.5906 4.2978 4.2978 4.7348 4.7348 5.1617 5.1617 5.3709 5.3709 6.4324 6.4324 6.8391 6.8391 7.0573 7.0573 7.1375 7.1375 7.3518 7.3518 7.3928 7.3928 7.6533 7.6533 7.8090 7.8090 7.8644 7.8644 7.9487 7.9487 8.2104 8.2104 8.4126 8.4126 8.6477 8.6477 8.7170 8.7170 9.2190 9.2190 9.3656 9.3656 9.4036 9.4036 9.4169 9.4169 9.6849 9.6849 9.7677 9.7677 k =-0.5000 0.1835 0.1322 ( 11226 PWs) bands (ev): -1.6942 -1.6942 -1.5434 -1.5434 -1.1929 -1.1929 -1.0303 -1.0303 -0.8347 -0.8347 -0.7449 -0.7449 3.3948 3.3948 3.6441 3.6441 4.2179 4.2179 4.7638 4.7638 5.1437 5.1437 5.3939 5.3939 6.3811 6.3811 6.9140 6.9140 7.0481 7.0481 7.1530 7.1530 7.3442 7.3442 7.3993 7.3993 7.6359 7.6359 7.8022 7.8022 7.8897 7.8897 7.9625 7.9625 8.1679 8.1679 8.4303 8.4303 8.6369 8.6369 8.7250 8.7250 9.1708 9.1708 9.3765 9.3765 9.4230 9.4230 9.4363 9.4363 9.6665 9.6665 9.7725 9.7725 k =-0.5000 0.1835 0.1156 ( 11240 PWs) bands (ev): -1.7073 -1.7073 -1.5214 -1.5214 -1.2093 -1.2093 -1.0080 -1.0080 -0.8520 -0.8520 -0.7438 -0.7438 3.3942 3.3942 3.7029 3.7029 4.1400 4.1400 4.7589 4.7589 5.1506 5.1506 5.4128 5.4128 6.3351 6.3351 6.9840 6.9840 7.0430 7.0430 7.1684 7.1684 7.3361 7.3361 7.4053 7.4053 7.6236 7.6236 7.7847 7.7847 7.9275 7.9275 7.9754 7.9754 8.1257 8.1257 8.4419 8.4419 8.6271 8.6271 8.7315 8.7315 9.1186 9.1186 9.3908 9.3908 9.4436 9.4436 9.4532 9.4532 9.6503 9.6503 9.7760 9.7760 k =-0.5000 0.1835 0.0991 ( 11234 PWs) bands (ev): -1.7188 -1.7188 -1.4996 -1.4996 -1.2246 -1.2246 -0.9861 -0.9861 -0.8692 -0.8692 -0.7451 -0.7451 3.4000 3.4000 3.7664 3.7664 4.0654 4.0654 4.7221 4.7221 5.1804 5.1804 5.4277 5.4277 6.2942 6.2942 7.0197 7.0197 7.0691 7.0691 7.1835 7.1835 7.3274 7.3274 7.4106 7.4106 7.6169 7.6169 7.7652 7.7652 7.9641 7.9641 7.9921 7.9921 8.0857 8.0857 8.4475 8.4475 8.6178 8.6178 8.7366 8.7366 9.0643 9.0643 9.4076 9.4076 9.4628 9.4628 9.4689 9.4689 9.6376 9.6376 9.7789 9.7789 k =-0.5000 0.1835 0.0826 ( 11242 PWs) bands (ev): -1.7286 -1.7286 -1.4784 -1.4784 -1.2388 -1.2388 -0.9649 -0.9649 -0.8855 -0.8855 -0.7486 -0.7486 3.4117 3.4117 3.8330 3.8330 3.9960 3.9960 4.6639 4.6639 5.2224 5.2224 5.4391 5.4391 6.2583 6.2583 7.0181 7.0181 7.1272 7.1272 7.1980 7.1980 7.3184 7.3184 7.4147 7.4147 7.6156 7.6156 7.7458 7.7458 7.9775 7.9775 8.0280 8.0280 8.0546 8.0546 8.4475 8.4475 8.6073 8.6073 8.7403 8.7403 9.0103 9.0103 9.4256 9.4256 9.4762 9.4762 9.4862 9.4862 9.6294 9.6294 9.7818 9.7818 k =-0.5000 0.1835 0.0661 ( 11240 PWs) bands (ev): -1.7368 -1.7368 -1.4586 -1.4586 -1.2518 -1.2518 -0.9451 -0.9451 -0.9002 -0.9002 -0.7537 -0.7537 3.4285 3.4285 3.8913 3.8913 3.9439 3.9439 4.5937 4.5937 5.2669 5.2669 5.4472 5.4472 6.2274 6.2274 7.0138 7.0138 7.1799 7.1799 7.2128 7.2128 7.3096 7.3096 7.4174 7.4174 7.6193 7.6193 7.7274 7.7274 7.9698 7.9698 8.0274 8.0274 8.0867 8.0867 8.4420 8.4420 8.5939 8.5939 8.7429 8.7429 8.9606 8.9606 9.4431 9.4431 9.4852 9.4852 9.5023 9.5023 9.6259 9.6259 9.7848 9.7848 k =-0.5000 0.1835 0.0496 ( 11244 PWs) bands (ev): -1.7431 -1.7431 -1.4409 -1.4409 -1.2634 -1.2634 -0.9275 -0.9275 -0.9127 -0.9127 -0.7599 -0.7599 3.4486 3.4486 3.8624 3.8624 3.9885 3.9885 4.5177 4.5177 5.3079 5.3079 5.4524 5.4524 6.2020 6.2020 7.0099 7.0099 7.2129 7.2129 7.2366 7.2366 7.3018 7.3018 7.4183 7.4183 7.6272 7.6272 7.7103 7.7103 7.9484 7.9484 8.0231 8.0231 8.1428 8.1428 8.4303 8.4303 8.5768 8.5768 8.7444 8.7444 8.9190 8.9190 9.4586 9.4586 9.4911 9.4911 9.5152 9.5152 9.6267 9.6267 9.7878 9.7878 k =-0.5000 0.1835 0.0330 ( 11246 PWs) bands (ev): -1.7477 -1.7477 -1.4265 -1.4265 -1.2729 -1.2729 -0.9224 -0.9224 -0.9128 -0.9128 -0.7661 -0.7661 3.4695 3.4695 3.8163 3.8163 4.0603 4.0603 4.4408 4.4408 5.3412 5.3412 5.4549 5.4549 6.1829 6.1829 7.0071 7.0071 7.2249 7.2249 7.2679 7.2679 7.2955 7.2955 7.4176 7.4176 7.6381 7.6381 7.6946 7.6946 7.9262 7.9262 8.0237 8.0237 8.2014 8.2014 8.4102 8.4102 8.5582 8.5582 8.7451 8.7451 8.8888 8.8888 9.4710 9.4710 9.4942 9.4942 9.5246 9.5246 9.6298 9.6298 9.7904 9.7904 k =-0.5000 0.1835 0.0165 ( 11256 PWs) bands (ev): -1.7504 -1.7504 -1.4168 -1.4168 -1.2795 -1.2795 -0.9283 -0.9283 -0.9032 -0.9032 -0.7709 -0.7709 3.4863 3.4863 3.7835 3.7835 4.1272 4.1272 4.3713 4.3713 5.3633 5.3633 5.4553 5.4553 6.1709 6.1709 7.0053 7.0053 7.2310 7.2310 7.2889 7.2889 7.2922 7.2922 7.4161 7.4161 7.6506 7.6506 7.6803 7.6803 7.9106 7.9106 8.0250 8.0250 8.2572 8.2572 8.3803 8.3803 8.5438 8.5438 8.7454 8.7454 8.8710 8.8710 9.4794 9.4794 9.4947 9.4947 9.5305 9.5305 9.6329 9.6329 9.7922 9.7922 k =-0.5000 0.1835 0.0000 ( 11258 PWs) bands (ev): -1.7513 -1.7513 -1.4133 -1.4133 -1.2818 -1.2818 -0.9304 -0.9304 -0.8997 -0.8997 -0.7727 -0.7727 3.4930 3.4930 3.7714 3.7714 4.1613 4.1613 4.3363 4.3363 5.3712 5.3712 5.4552 5.4552 6.1669 6.1669 7.0048 7.0048 7.2329 7.2329 7.2897 7.2897 7.2978 7.2978 7.4153 7.4153 7.6603 7.6603 7.6702 7.6702 7.9051 7.9051 8.0255 8.0255 8.2899 8.2899 8.3566 8.3566 8.5385 8.5385 8.7455 8.7455 8.8653 8.8653 9.4827 9.4827 9.4944 9.4944 9.5325 9.5325 9.6342 9.6342 9.7928 9.7928 k = 0.0000 0.0000 0.1982 ( 11292 PWs) bands (ev): -2.6208 -2.6208 -2.6205 -2.6205 -1.2177 -1.2177 -1.2177 -1.2177 0.4675 0.4675 0.4677 0.4677 4.1392 4.1392 4.1395 4.1395 4.7175 4.7175 4.7177 4.7177 5.6190 5.6190 5.6191 5.6191 6.2182 6.2182 6.2182 6.2182 6.7858 6.7858 6.7859 6.7859 7.2719 7.2719 7.2720 7.2720 7.3931 7.3931 7.3934 7.3934 7.6749 7.6749 7.6750 7.6750 7.7218 7.7218 7.7218 7.7218 8.1653 8.1653 8.1654 8.1654 8.3445 8.3445 8.3446 8.3446 9.6818 9.6818 9.6820 9.6820 10.0672 10.0672 10.0672 10.0672 k =-0.0161 0.0059 0.1982 ( 11282 PWs) bands (ev): -2.6194 -2.6194 -2.6191 -2.6191 -1.2169 -1.2169 -1.2169 -1.2169 0.4648 0.4648 0.4651 0.4651 4.1302 4.1302 4.1305 4.1305 4.7270 4.7270 4.7272 4.7272 5.6170 5.6170 5.6172 5.6172 6.2206 6.2206 6.2206 6.2206 6.7865 6.7865 6.7865 6.7865 7.2627 7.2627 7.2627 7.2627 7.3938 7.3938 7.3941 7.3941 7.6778 7.6778 7.6779 7.6779 7.7273 7.7273 7.7274 7.7274 8.1671 8.1671 8.1671 8.1671 8.3457 8.3457 8.3458 8.3458 9.6806 9.6806 9.6808 9.6808 10.0678 10.0678 10.0678 10.0678 k =-0.0323 0.0118 0.1982 ( 11276 PWs) bands (ev): -2.6153 -2.6153 -2.6150 -2.6150 -1.2146 -1.2146 -1.2145 -1.2145 0.4570 0.4570 0.4573 0.4573 4.1054 4.1054 4.1057 4.1057 4.7530 4.7530 4.7532 4.7532 5.6117 5.6117 5.6119 5.6119 6.2274 6.2274 6.2275 6.2275 6.7884 6.7884 6.7885 6.7885 7.2368 7.2368 7.2368 7.2368 7.3963 7.3963 7.3966 7.3966 7.6830 7.6830 7.6830 7.6830 7.7453 7.7453 7.7453 7.7453 8.1724 8.1724 8.1724 8.1724 8.3493 8.3493 8.3495 8.3495 9.6771 9.6771 9.6772 9.6772 10.0694 10.0694 10.0694 10.0694 k =-0.0484 0.0178 0.1982 ( 11258 PWs) bands (ev): -2.6084 -2.6084 -2.6081 -2.6081 -1.2107 -1.2107 -1.2106 -1.2106 0.4439 0.4439 0.4442 0.4442 4.0694 4.0694 4.0697 4.0697 4.7896 4.7896 4.7898 4.7898 5.6050 5.6050 5.6052 5.6052 6.2382 6.2382 6.2383 6.2383 6.7917 6.7917 6.7917 6.7917 7.1984 7.1984 7.1984 7.1984 7.4012 7.4012 7.4014 7.4014 7.6863 7.6863 7.6864 7.6864 7.7749 7.7749 7.7750 7.7750 8.1810 8.1810 8.1811 8.1811 8.3555 8.3555 8.3557 8.3557 9.6712 9.6712 9.6714 9.6714 10.0720 10.0720 10.0720 10.0720 k =-0.0645 0.0237 0.1982 ( 11262 PWs) bands (ev): -2.5988 -2.5988 -2.5985 -2.5985 -1.2052 -1.2052 -1.2052 -1.2052 0.4256 0.4256 0.4259 0.4259 4.0270 4.0270 4.0273 4.0273 4.8298 4.8298 4.8300 4.8300 5.5999 5.5999 5.6001 5.6001 6.2522 6.2522 6.2522 6.2522 6.7961 6.7961 6.7962 6.7962 7.1519 7.1519 7.1520 7.1520 7.4085 7.4085 7.4087 7.4087 7.6875 7.6875 7.6876 7.6876 7.8121 7.8121 7.8122 7.8122 8.1929 8.1929 8.1929 8.1929 8.3643 8.3643 8.3644 8.3644 9.6633 9.6633 9.6634 9.6634 10.0757 10.0757 10.0757 10.0757 k =-0.0806 0.0296 0.1982 ( 11248 PWs) bands (ev): -2.5865 -2.5865 -2.5862 -2.5862 -1.1983 -1.1983 -1.1983 -1.1983 0.4023 0.4023 0.4026 0.4026 3.9819 3.9819 3.9822 3.9822 4.8669 4.8669 4.8671 4.8671 5.6000 5.6000 5.6002 5.6002 6.2683 6.2683 6.2684 6.2684 6.8018 6.8018 6.8019 6.8019 7.1010 7.1010 7.1010 7.1010 7.4181 7.4181 7.4184 7.4184 7.6868 7.6868 7.6869 7.6869 7.8533 7.8533 7.8533 7.8533 8.2076 8.2076 8.2076 8.2076 8.3758 8.3758 8.3759 8.3759 9.6533 9.6533 9.6535 9.6535 10.0804 10.0804 10.0804 10.0804 k =-0.0968 0.0355 0.1982 ( 11246 PWs) bands (ev): -2.5714 -2.5714 -2.5711 -2.5711 -1.1900 -1.1900 -1.1900 -1.1900 0.3740 0.3740 0.3743 0.3743 3.9366 3.9366 3.9369 3.9369 4.8950 4.8950 4.8952 4.8952 5.6093 5.6093 5.6095 5.6095 6.2859 6.2859 6.2860 6.2860 6.8085 6.8085 6.8085 6.8085 7.0484 7.0484 7.0484 7.0484 7.4300 7.4300 7.4303 7.4303 7.6845 7.6845 7.6846 7.6846 7.8962 7.8962 7.8963 7.8963 8.2245 8.2245 8.2246 8.2246 8.3900 8.3900 8.3901 8.3901 9.6416 9.6416 9.6417 9.6417 10.0860 10.0860 10.0861 10.0861 k =-0.1129 0.0414 0.1982 ( 11252 PWs) bands (ev): -2.5537 -2.5537 -2.5534 -2.5534 -1.1803 -1.1803 -1.1803 -1.1803 0.3409 0.3409 0.3412 0.3412 3.8928 3.8928 3.8931 3.8931 4.9099 4.9099 4.9101 4.9101 5.6306 5.6306 5.6308 5.6308 6.3040 6.3040 6.3041 6.3041 6.8158 6.8158 6.8159 6.8159 6.9966 6.9966 6.9967 6.9967 7.4440 7.4440 7.4443 7.4443 7.6805 7.6805 7.6806 7.6806 7.9398 7.9398 7.9398 7.9398 8.2432 8.2432 8.2433 8.2433 8.4070 8.4070 8.4071 8.4071 9.6282 9.6282 9.6284 9.6284 10.0926 10.0926 10.0926 10.0926 k =-0.1290 0.0474 0.1982 ( 11250 PWs) bands (ev): -2.5333 -2.5333 -2.5330 -2.5330 -1.1694 -1.1694 -1.1694 -1.1694 0.3032 0.3032 0.3035 0.3035 3.8515 3.8515 3.8518 3.8518 4.9099 4.9099 4.9100 4.9100 5.6644 5.6644 5.6646 5.6646 6.3219 6.3219 6.3219 6.3219 6.8230 6.8230 6.8231 6.8231 6.9486 6.9486 6.9487 6.9487 7.4599 7.4599 7.4602 7.4602 7.6748 7.6748 7.6749 7.6749 7.9832 7.9832 7.9833 7.9833 8.2628 8.2628 8.2629 8.2629 8.4267 8.4267 8.4269 8.4269 9.6136 9.6136 9.6138 9.6138 10.0999 10.0999 10.0999 10.0999 k =-0.1452 0.0533 0.1982 ( 11254 PWs) bands (ev): -2.5103 -2.5103 -2.5100 -2.5100 -1.1572 -1.1572 -1.1572 -1.1572 0.2610 0.2610 0.2613 0.2613 3.8134 3.8134 3.8137 3.8137 4.8959 4.8959 4.8960 4.8960 5.7085 5.7085 5.7087 5.7087 6.3385 6.3385 6.3386 6.3386 6.8274 6.8274 6.8275 6.8275 6.9094 6.9094 6.9095 6.9095 7.4776 7.4776 7.4779 7.4779 7.6678 7.6678 7.6679 7.6679 8.0261 8.0261 8.0261 8.0261 8.2829 8.2829 8.2830 8.2830 8.4489 8.4489 8.4490 8.4490 9.5979 9.5979 9.5981 9.5981 10.1080 10.1080 10.1080 10.1080 k =-0.1613 0.0592 0.1982 ( 11238 PWs) bands (ev): -2.4846 -2.4846 -2.4843 -2.4843 -1.1440 -1.1440 -1.1440 -1.1440 0.2145 0.2145 0.2148 0.2148 3.7787 3.7787 3.7790 3.7790 4.8705 4.8705 4.8706 4.8706 5.7586 5.7586 5.7587 5.7587 6.3531 6.3531 6.3531 6.3531 6.8224 6.8224 6.8224 6.8224 6.8884 6.8884 6.8884 6.8884 7.4968 7.4968 7.4971 7.4971 7.6596 7.6596 7.6597 7.6597 8.0679 8.0679 8.0680 8.0680 8.3032 8.3032 8.3033 8.3033 8.4731 8.4731 8.4732 8.4732 9.5814 9.5814 9.5816 9.5816 10.1166 10.1166 10.1166 10.1166 k =-0.1774 0.0651 0.1982 ( 11222 PWs) bands (ev): -2.4564 -2.4564 -2.4561 -2.4561 -1.1298 -1.1298 -1.1298 -1.1298 0.1642 0.1642 0.1645 0.1645 3.7476 3.7476 3.7479 3.7479 4.8369 4.8369 4.8370 4.8370 5.8092 5.8092 5.8094 5.8094 6.3646 6.3646 6.3647 6.3647 6.8079 6.8079 6.8080 6.8080 6.8886 6.8886 6.8887 6.8887 7.5172 7.5172 7.5174 7.5174 7.6509 7.6509 7.6511 7.6511 8.1084 8.1084 8.1084 8.1084 8.3234 8.3234 8.3235 8.3235 8.4988 8.4988 8.4989 8.4989 9.5644 9.5644 9.5646 9.5646 10.1255 10.1255 10.1255 10.1255 k =-0.1935 0.0710 0.1982 ( 11226 PWs) bands (ev): -2.4257 -2.4257 -2.4254 -2.4254 -1.1148 -1.1148 -1.1148 -1.1148 0.1102 0.1102 0.1106 0.1106 3.7200 3.7200 3.7203 3.7203 4.7979 4.7979 4.7981 4.7981 5.8548 5.8548 5.8549 5.8549 6.3732 6.3732 6.3733 6.3733 6.7976 6.7976 6.7976 6.7976 6.8996 6.8996 6.8997 6.8997 7.5382 7.5382 7.5384 7.5384 7.6425 7.6425 7.6426 7.6426 8.1470 8.1470 8.1470 8.1470 8.3435 8.3435 8.3437 8.3437 8.5257 8.5257 8.5258 8.5258 9.5471 9.5471 9.5472 9.5472 10.1346 10.1346 10.1346 10.1346 k =-0.2097 0.0770 0.1982 ( 11226 PWs) bands (ev): -2.3925 -2.3925 -2.3922 -2.3922 -1.0991 -1.0991 -1.0991 -1.0991 0.0530 0.0530 0.0533 0.0533 3.6957 3.6957 3.6959 3.6959 4.7561 4.7561 4.7562 4.7562 5.8894 5.8894 5.8896 5.8896 6.3801 6.3801 6.3802 6.3802 6.7990 6.7990 6.7991 6.7991 6.9158 6.9158 6.9159 6.9159 7.5585 7.5585 7.5587 7.5587 7.6358 7.6358 7.6360 7.6360 8.1831 8.1831 8.1832 8.1832 8.3639 8.3639 8.3640 8.3640 8.5533 8.5533 8.5534 8.5534 9.5297 9.5297 9.5299 9.5299 10.1433 10.1433 10.1433 10.1433 k =-0.2258 0.0829 0.1982 ( 11244 PWs) bands (ev): -2.3569 -2.3569 -2.3566 -2.3566 -1.0830 -1.0830 -1.0829 -1.0829 -0.0071 -0.0071 -0.0068 -0.0068 3.6742 3.6742 3.6745 3.6745 4.7134 4.7134 4.7135 4.7135 5.9083 5.9083 5.9084 5.9084 6.3882 6.3882 6.3884 6.3884 6.8133 6.8133 6.8134 6.8134 6.9359 6.9359 6.9360 6.9360 7.5750 7.5750 7.5752 7.5752 7.6342 7.6342 7.6344 7.6344 8.2162 8.2162 8.2163 8.2163 8.3846 8.3846 8.3847 8.3847 8.5816 8.5816 8.5817 8.5817 9.5125 9.5125 9.5127 9.5127 10.1511 10.1511 10.1511 10.1511 k =-0.2419 0.0888 0.1982 ( 11248 PWs) bands (ev): -2.3189 -2.3189 -2.3186 -2.3186 -1.0665 -1.0665 -1.0665 -1.0665 -0.0697 -0.0697 -0.0694 -0.0694 3.6553 3.6553 3.6555 3.6555 4.6715 4.6715 4.6716 4.6716 5.9089 5.9089 5.9090 5.9090 6.4003 6.4003 6.4004 6.4004 6.8380 6.8380 6.8381 6.8381 6.9606 6.9606 6.9607 6.9607 7.5830 7.5830 7.5832 7.5832 7.6427 7.6427 7.6429 7.6429 8.2455 8.2455 8.2456 8.2456 8.4060 8.4060 8.4061 8.4061 8.6107 8.6107 8.6108 8.6108 9.4957 9.4957 9.4959 9.4959 10.1562 10.1563 10.1563 10.1563 k =-0.2581 0.0947 0.1982 ( 11236 PWs) bands (ev): -2.2787 -2.2787 -2.2784 -2.2784 -1.0500 -1.0500 -1.0500 -1.0500 -0.1344 -0.1344 -0.1341 -0.1341 3.6384 3.6384 3.6386 3.6386 4.6317 4.6317 4.6318 4.6318 5.8919 5.8919 5.8919 5.8919 6.4169 6.4169 6.4170 6.4170 6.8683 6.8683 6.8684 6.8684 6.9915 6.9915 6.9916 6.9916 7.5832 7.5832 7.5833 7.5833 7.6609 7.6609 7.6611 7.6611 8.2705 8.2705 8.2706 8.2706 8.4282 8.4282 8.4283 8.4283 8.6410 8.6410 8.6411 8.6411 9.4796 9.4796 9.4797 9.4797 10.1549 10.1549 10.1549 10.1549 k =-0.2742 0.1006 0.1982 ( 11244 PWs) bands (ev): -2.2363 -2.2363 -2.2360 -2.2360 -1.0337 -1.0337 -1.0337 -1.0337 -0.2007 -0.2007 -0.2004 -0.2004 3.6229 3.6229 3.6231 3.6231 4.5953 4.5953 4.5954 4.5954 5.8604 5.8604 5.8605 5.8605 6.4369 6.4369 6.4370 6.4370 6.8990 6.8990 6.8992 6.8992 7.0300 7.0300 7.0301 7.0301 7.5809 7.5809 7.5810 7.5810 7.6838 7.6838 7.6840 7.6840 8.2909 8.2909 8.2910 8.2910 8.4511 8.4511 8.4512 8.4512 8.6730 8.6730 8.6731 8.6731 9.4642 9.4642 9.4644 9.4644 10.1407 10.1407 10.1408 10.1408 k =-0.2903 0.1066 0.1982 ( 11236 PWs) bands (ev): -2.1919 -2.1919 -2.1916 -2.1916 -1.0180 -1.0180 -1.0179 -1.0179 -0.2681 -0.2681 -0.2678 -0.2678 3.6084 3.6084 3.6086 3.6086 4.5632 4.5632 4.5633 4.5633 5.8186 5.8186 5.8187 5.8187 6.4586 6.4586 6.4587 6.4587 6.9270 6.9270 6.9272 6.9272 7.0754 7.0754 7.0756 7.0756 7.5794 7.5794 7.5795 7.5795 7.7083 7.7083 7.7085 7.7085 8.3066 8.3066 8.3067 8.3067 8.4745 8.4745 8.4746 8.4746 8.7075 8.7075 8.7076 8.7076 9.4498 9.4498 9.4500 9.4500 10.1166 10.1166 10.1167 10.1167 k =-0.3065 0.1125 0.1982 ( 11238 PWs) bands (ev): -2.1455 -2.1455 -2.1452 -2.1452 -1.0031 -1.0031 -1.0031 -1.0031 -0.3360 -0.3360 -0.3357 -0.3357 3.5944 3.5944 3.5945 3.5945 4.5362 4.5362 4.5363 4.5363 5.7697 5.7697 5.7698 5.7698 6.4805 6.4805 6.4806 6.4806 6.9515 6.9515 6.9517 6.9517 7.1248 7.1248 7.1250 7.1250 7.5805 7.5805 7.5806 7.5806 7.7331 7.7331 7.7332 7.7332 8.3180 8.3180 8.3181 8.3181 8.4980 8.4980 8.4981 8.4981 8.7451 8.7451 8.7452 8.7452 9.4365 9.4365 9.4366 9.4366 10.0895 10.0895 10.0896 10.0896 k =-0.3226 0.1184 0.1982 ( 11242 PWs) bands (ev): -2.0974 -2.0974 -2.0971 -2.0971 -0.9896 -0.9896 -0.9896 -0.9896 -0.4037 -0.4037 -0.4033 -0.4033 3.5804 3.5804 3.5806 3.5806 4.5149 4.5149 4.5150 4.5150 5.7165 5.7165 5.7166 5.7166 6.5016 6.5016 6.5016 6.5016 6.9732 6.9732 6.9733 6.9733 7.1741 7.1741 7.1743 7.1743 7.5852 7.5852 7.5854 7.5854 7.7573 7.7573 7.7575 7.7575 8.3257 8.3257 8.3258 8.3258 8.5211 8.5211 8.5213 8.5213 8.7865 8.7865 8.7865 8.7865 9.4243 9.4243 9.4244 9.4244 10.0622 10.0622 10.0623 10.0623 k =-0.3387 0.1243 0.1982 ( 11252 PWs) bands (ev): -2.0477 -2.0477 -2.0474 -2.0474 -0.9782 -0.9782 -0.9781 -0.9781 -0.4702 -0.4702 -0.4699 -0.4699 3.5664 3.5664 3.5665 3.5665 4.4995 4.4995 4.4996 4.4996 5.6610 5.6610 5.6611 5.6611 6.5213 6.5213 6.5214 6.5214 6.9927 6.9927 6.9929 6.9929 7.2196 7.2196 7.2198 7.2198 7.5944 7.5944 7.5945 7.5945 7.7806 7.7806 7.7808 7.7808 8.3304 8.3304 8.3305 8.3305 8.5437 8.5437 8.5439 8.5439 8.8320 8.8320 8.8320 8.8320 9.4133 9.4133 9.4134 9.4134 10.0350 10.0350 10.0351 10.0351 k =-0.3548 0.1302 0.1982 ( 11264 PWs) bands (ev): -1.9967 -1.9967 -1.9964 -1.9964 -0.9696 -0.9696 -0.9696 -0.9696 -0.5345 -0.5345 -0.5342 -0.5342 3.5522 3.5522 3.5523 3.5523 4.4901 4.4901 4.4902 4.4902 5.6048 5.6048 5.6049 5.6049 6.5395 6.5395 6.5396 6.5396 7.0104 7.0104 7.0107 7.0107 7.2588 7.2588 7.2590 7.2590 7.6080 7.6080 7.6081 7.6081 7.8025 7.8025 7.8026 7.8026 8.3327 8.3327 8.3328 8.3328 8.5655 8.5655 8.5656 8.5656 8.8818 8.8818 8.8818 8.8818 9.4035 9.4035 9.4037 9.4037 10.0076 10.0076 10.0077 10.0077 k =-0.3710 0.1362 0.1982 ( 11272 PWs) bands (ev): -1.9448 -1.9448 -1.9445 -1.9445 -0.9654 -0.9654 -0.9653 -0.9653 -0.5949 -0.5949 -0.5946 -0.5946 3.5379 3.5379 3.5381 3.5381 4.4863 4.4863 4.4864 4.4864 5.5491 5.5491 5.5492 5.5492 6.5559 6.5559 6.5560 6.5560 7.0267 7.0267 7.0269 7.0269 7.2907 7.2907 7.2908 7.2908 7.6254 7.6254 7.6255 7.6255 7.8225 7.8225 7.8227 7.8227 8.3333 8.3333 8.3334 8.3334 8.5863 8.5863 8.5865 8.5865 8.9358 8.9358 8.9358 8.9358 9.3949 9.3949 9.3951 9.3951 9.9793 9.9793 9.9794 9.9794 k =-0.3871 0.1421 0.1982 ( 11250 PWs) bands (ev): -1.8924 -1.8924 -1.8921 -1.8921 -0.9672 -0.9672 -0.9672 -0.9672 -0.6490 -0.6490 -0.6487 -0.6487 3.5239 3.5239 3.5240 3.5240 4.4876 4.4876 4.4876 4.4876 5.4953 5.4953 5.4954 5.4954 6.5705 6.5705 6.5706 6.5706 7.0414 7.0414 7.0416 7.0416 7.3153 7.3153 7.3154 7.3154 7.6452 7.6452 7.6452 7.6452 7.8405 7.8405 7.8406 7.8406 8.3328 8.3328 8.3330 8.3330 8.6060 8.6060 8.6062 8.6062 8.9936 8.9936 8.9936 8.9936 9.3875 9.3875 9.3876 9.3876 9.9495 9.9495 9.9495 9.9495 k =-0.4032 0.1480 0.1982 ( 11258 PWs) bands (ev): -1.8402 -1.8402 -1.8399 -1.8399 -0.9773 -0.9773 -0.9773 -0.9773 -0.6941 -0.6941 -0.6938 -0.6938 3.5105 3.5105 3.5106 3.5106 4.4930 4.4930 4.4930 4.4930 5.4444 5.4444 5.4444 5.4444 6.5831 6.5831 6.5832 6.5832 7.0545 7.0545 7.0548 7.0548 7.3337 7.3337 7.3338 7.3338 7.6653 7.6653 7.6654 7.6654 7.8563 7.8563 7.8564 7.8564 8.3319 8.3319 8.3320 8.3320 8.6244 8.6244 8.6246 8.6246 9.0543 9.0543 9.0543 9.0543 9.3811 9.3811 9.3812 9.3812 9.9175 9.9175 9.9175 9.9175 k =-0.4194 0.1539 0.1982 ( 11258 PWs) bands (ev): -1.7891 -1.7891 -1.7888 -1.7888 -0.9971 -0.9971 -0.9970 -0.9970 -0.7277 -0.7277 -0.7275 -0.7275 3.4982 3.4982 3.4983 3.4983 4.5014 4.5014 4.5015 4.5015 5.3976 5.3976 5.3977 5.3977 6.5938 6.5938 6.5939 6.5939 7.0660 7.0660 7.0662 7.0662 7.3473 7.3473 7.3474 7.3474 7.6841 7.6841 7.6842 7.6842 7.8696 7.8696 7.8697 7.8697 8.3307 8.3307 8.3309 8.3309 8.6411 8.6411 8.6413 8.6413 9.1165 9.1165 9.1165 9.1165 9.3758 9.3758 9.3759 9.3759 9.8829 9.8829 9.8829 9.8829 k =-0.4355 0.1599 0.1982 ( 11246 PWs) bands (ev): -1.7405 -1.7405 -1.7402 -1.7402 -1.0254 -1.0254 -1.0253 -1.0253 -0.7499 -0.7499 -0.7498 -0.7498 3.4874 3.4874 3.4874 3.4874 4.5115 4.5115 4.5116 4.5116 5.3564 5.3564 5.3565 5.3565 6.6026 6.6026 6.6027 6.6027 7.0756 7.0756 7.0759 7.0759 7.3572 7.3572 7.3572 7.3572 7.7003 7.7003 7.7003 7.7003 7.8805 7.8805 7.8806 7.8806 8.3297 8.3297 8.3298 8.3298 8.6558 8.6558 8.6560 8.6560 9.1783 9.1783 9.1783 9.1783 9.3715 9.3715 9.3716 9.3716 9.8462 9.8462 9.8462 9.8462 k =-0.4516 0.1658 0.1982 ( 11246 PWs) bands (ev): -1.6966 -1.6966 -1.6963 -1.6963 -1.0577 -1.0577 -1.0575 -1.0575 -0.7629 -0.7629 -0.7628 -0.7628 3.4784 3.4784 3.4785 3.4785 4.5218 4.5218 4.5218 4.5218 5.3221 5.3221 5.3222 5.3222 6.6094 6.6094 6.6094 6.6094 7.0833 7.0833 7.0836 7.0836 7.3641 7.3641 7.3642 7.3642 7.7131 7.7131 7.7132 7.7132 7.8889 7.8889 7.8890 7.8890 8.3288 8.3288 8.3290 8.3290 8.6679 8.6679 8.6681 8.6681 9.2365 9.2365 9.2365 9.2365 9.3683 9.3683 9.3684 9.3684 9.8088 9.8088 9.8089 9.8089 k =-0.4677 0.1717 0.1982 ( 11246 PWs) bands (ev): -1.6604 -1.6604 -1.6602 -1.6602 -1.0879 -1.0879 -1.0877 -1.0877 -0.7699 -0.7699 -0.7698 -0.7698 3.4718 3.4718 3.4719 3.4719 4.5306 4.5306 4.5306 4.5306 5.2962 5.2962 5.2963 5.2963 6.6142 6.6142 6.6143 6.6143 7.0889 7.0889 7.0892 7.0892 7.3688 7.3688 7.3689 7.3689 7.7223 7.7223 7.7223 7.7223 7.8949 7.8949 7.8949 7.8949 8.3282 8.3282 8.3284 8.3284 8.6770 8.6770 8.6772 8.6772 9.2864 9.2864 9.2865 9.2865 9.3665 9.3665 9.3666 9.3666 9.7742 9.7742 9.7742 9.7742 k =-0.4839 0.1776 0.1982 ( 11242 PWs) bands (ev): -1.6360 -1.6360 -1.6357 -1.6357 -1.1096 -1.1096 -1.1094 -1.1094 -0.7731 -0.7731 -0.7731 -0.7731 3.4677 3.4677 3.4678 3.4678 4.5366 4.5366 4.5366 4.5366 5.2800 5.2800 5.2801 5.2801 6.6171 6.6171 6.6172 6.6172 7.0923 7.0923 7.0926 7.0926 7.3715 7.3715 7.3716 7.3716 7.7278 7.7278 7.7278 7.7278 7.8984 7.8984 7.8985 7.8985 8.3279 8.3279 8.3280 8.3280 8.6826 8.6826 8.6828 8.6828 9.3208 9.3208 9.3209 9.3209 9.3665 9.3665 9.3666 9.3666 9.7481 9.7481 9.7482 9.7482 k =-0.5000 0.1835 0.1982 ( 11236 PWs) bands (ev): -1.6273 -1.6273 -1.6270 -1.6270 -1.1176 -1.1176 -1.1174 -1.1174 -0.7741 -0.7741 -0.7740 -0.7740 3.4663 3.4663 3.4664 3.4664 4.5387 4.5387 4.5387 4.5387 5.2745 5.2745 5.2746 5.2746 6.6181 6.6181 6.6182 6.6182 7.0935 7.0935 7.0937 7.0937 7.3724 7.3724 7.3725 7.3725 7.7296 7.7296 7.7296 7.7296 7.8996 7.8996 7.8997 7.8997 8.3278 8.3278 8.3279 8.3279 8.6845 8.6845 8.6847 8.6847 9.3327 9.3327 9.3328 9.3328 9.3674 9.3674 9.3675 9.3675 9.7381 9.7381 9.7382 9.7382 Writing output data file ZrSb.save init_run : 0.65s CPU 0.79s WALL ( 1 calls) electrons : 1016.84s CPU 1024.53s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 1016.84s CPU 1024.53s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.16s WALL ( 322 calls) cegterg : 937.06s CPU 943.62s WALL ( 857 calls) Called by sum_band: Called by *egterg: h_psi : 544.87s CPU 550.96s WALL ( 15859 calls) s_psi : 26.44s CPU 26.80s WALL ( 15859 calls) g_psi : 0.70s CPU 0.76s WALL ( 14680 calls) cdiaghg : 343.85s CPU 344.75s WALL ( 15002 calls) cegterg:over : 39.57s CPU 39.71s WALL ( 14680 calls) cegterg:upda : 26.13s CPU 26.11s WALL ( 14680 calls) cegterg:last : 14.19s CPU 14.25s WALL ( 2248 calls) cdiaghg:chol : 12.45s CPU 12.25s WALL ( 15002 calls) cdiaghg:inve : 8.56s CPU 8.51s WALL ( 15002 calls) cdiaghg:para : 21.99s CPU 21.90s WALL ( 30004 calls) Called by h_psi: h_psi:vloc : 475.90s CPU 482.03s WALL ( 15859 calls) h_psi:vnl : 68.14s CPU 68.12s WALL ( 15859 calls) add_vuspsi : 34.12s CPU 34.05s WALL ( 15859 calls) General routines calbec : 33.94s CPU 34.02s WALL ( 15859 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 463.53s CPU 469.07s WALL ( 1844524 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.30s CPU 0.35s WALL ( 644 calls) Parallel routines fft_scatter : 331.58s CPU 335.74s WALL ( 1844547 calls) PWSCF : 18m 9.61s CPU 18m47.25s WALL This run was terminated on: 10:18:43 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=