Program PWSCF v.5.1.1 starts on 21Jul2015 at 5:48:33 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaGe.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 40 27 8 1076 585 94 Max 41 28 9 1081 603 98 Sum 1937 1299 391 51729 28507 4595 bravais-lattice index = 14 lattice parameter (alat) = 11.1570 a.u. unit-cell volume = 675.4867 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.157041 celldm(2)= 1.000000 celldm(3)= 0.682074 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.701083 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.701083 0.713080 0.000000 ) a(3) = ( 0.000000 0.000000 0.682074 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.983175 -0.000000 ) b(2) = ( 0.000000 1.402367 -0.000000 ) b(3) = ( 0.000000 0.000000 1.466117 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /home/autes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 Ge 4.00 72.64000 Ge( 1.00) Ca 10.00 40.07800 Ca( 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: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 402 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0071690 0.0171020 -0.0000000), wk = 0.0024876 k( 3) = ( 0.0143381 0.0342041 -0.0000000), wk = 0.0024876 k( 4) = ( 0.0215071 0.0513061 -0.0000000), wk = 0.0024876 k( 5) = ( 0.0286761 0.0684081 -0.0000000), wk = 0.0024876 k( 6) = ( 0.0358452 0.0855102 -0.0000000), wk = 0.0024876 k( 7) = ( 0.0430142 0.1026122 -0.0000000), wk = 0.0024876 k( 8) = ( 0.0501832 0.1197143 -0.0000000), wk = 0.0024876 k( 9) = ( 0.0573523 0.1368163 -0.0000000), wk = 0.0024876 k( 10) = ( 0.0645213 0.1539183 -0.0000000), wk = 0.0024876 k( 11) = ( 0.0716904 0.1710204 -0.0000000), wk = 0.0024876 k( 12) = ( 0.0788594 0.1881224 -0.0000000), wk = 0.0024876 k( 13) = ( 0.0860284 0.2052244 -0.0000000), wk = 0.0024876 k( 14) = ( 0.0931975 0.2223265 -0.0000000), wk = 0.0024876 k( 15) = ( 0.1003665 0.2394285 -0.0000000), wk = 0.0024876 k( 16) = ( 0.1075355 0.2565306 -0.0000000), wk = 0.0024876 k( 17) = ( 0.1147046 0.2736326 -0.0000000), wk = 0.0024876 k( 18) = ( 0.1218736 0.2907346 -0.0000000), wk = 0.0024876 k( 19) = ( 0.1290426 0.3078367 -0.0000000), wk = 0.0024876 k( 20) = ( 0.1362117 0.3249387 -0.0000000), wk = 0.0024876 k( 21) = ( 0.1433807 0.3420408 -0.0000000), wk = 0.0024876 k( 22) = ( 0.1505498 0.3591428 -0.0000000), wk = 0.0024876 k( 23) = ( 0.1577188 0.3762448 -0.0000000), wk = 0.0024876 k( 24) = ( 0.1648878 0.3933468 -0.0000000), wk = 0.0024876 k( 25) = ( 0.1720569 0.4104489 -0.0000000), wk = 0.0024876 k( 26) = ( 0.1792259 0.4275509 -0.0000000), wk = 0.0024876 k( 27) = ( 0.1863949 0.4446530 -0.0000000), wk = 0.0024876 k( 28) = ( 0.1935640 0.4617550 -0.0000000), wk = 0.0024876 k( 29) = ( 0.2007330 0.4788570 -0.0000000), wk = 0.0024876 k( 30) = ( 0.2079020 0.4959591 -0.0000000), wk = 0.0024876 k( 31) = ( 0.2150711 0.5130611 -0.0000000), wk = 0.0024876 k( 32) = ( 0.2222401 0.5301632 -0.0000000), wk = 0.0024876 k( 33) = ( 0.2294091 0.5472652 -0.0000000), wk = 0.0024876 k( 34) = ( 0.2365782 0.5643672 -0.0000000), wk = 0.0024876 k( 35) = ( 0.2437472 0.5814693 -0.0000000), wk = 0.0024876 k( 36) = ( 0.2509163 0.5985713 -0.0000000), wk = 0.0024876 k( 37) = ( 0.2580853 0.6156733 -0.0000000), wk = 0.0024876 k( 38) = ( 0.2652543 0.6327754 -0.0000000), wk = 0.0024876 k( 39) = ( 0.2724234 0.6498774 -0.0000000), wk = 0.0024876 k( 40) = ( 0.2795924 0.6669794 -0.0000000), wk = 0.0024876 k( 41) = ( 0.2867614 0.6840815 -0.0000000), wk = 0.0024876 k( 42) = ( 0.2939305 0.7011835 -0.0000000), wk = 0.0024876 k( 43) = ( 0.2939305 0.7011835 -0.0000000), wk = 0.0024876 k( 44) = ( 0.2755598 0.7011835 -0.0000000), wk = 0.0024876 k( 45) = ( 0.2571892 0.7011835 -0.0000000), wk = 0.0024876 k( 46) = ( 0.2388185 0.7011835 -0.0000000), wk = 0.0024876 k( 47) = ( 0.2204479 0.7011835 -0.0000000), wk = 0.0024876 k( 48) = ( 0.2020772 0.7011835 -0.0000000), wk = 0.0024876 k( 49) = ( 0.1837065 0.7011835 -0.0000000), wk = 0.0024876 k( 50) = ( 0.1653359 0.7011835 -0.0000000), wk = 0.0024876 k( 51) = ( 0.1469652 0.7011835 -0.0000000), wk = 0.0024876 k( 52) = ( 0.1285946 0.7011835 -0.0000000), wk = 0.0024876 k( 53) = ( 0.1102239 0.7011835 -0.0000000), wk = 0.0024876 k( 54) = ( 0.0918533 0.7011835 -0.0000000), wk = 0.0024876 k( 55) = ( 0.0734826 0.7011835 -0.0000000), wk = 0.0024876 k( 56) = ( 0.0551120 0.7011835 -0.0000000), wk = 0.0024876 k( 57) = ( 0.0367413 0.7011835 -0.0000000), wk = 0.0024876 k( 58) = ( 0.0183706 0.7011835 -0.0000000), wk = 0.0024876 k( 59) = ( 0.0000000 0.7011835 -0.0000000), wk = 0.0024876 k( 60) = ( 0.0000000 0.7011835 -0.0000000), wk = 0.0024876 k( 61) = ( 0.0000000 0.7011835 0.0183265), wk = 0.0024876 k( 62) = ( 0.0000000 0.7011835 0.0366529), wk = 0.0024876 k( 63) = ( 0.0000000 0.7011835 0.0549794), wk = 0.0024876 k( 64) = ( 0.0000000 0.7011835 0.0733058), wk = 0.0024876 k( 65) = ( 0.0000000 0.7011835 0.0916323), wk = 0.0024876 k( 66) = ( 0.0000000 0.7011835 0.1099588), wk = 0.0024876 k( 67) = ( 0.0000000 0.7011835 0.1282852), wk = 0.0024876 k( 68) = ( 0.0000000 0.7011835 0.1466117), wk = 0.0024876 k( 69) = ( 0.0000000 0.7011835 0.1649381), wk = 0.0024876 k( 70) = ( 0.0000000 0.7011835 0.1832646), wk = 0.0024876 k( 71) = ( 0.0000000 0.7011835 0.2015911), wk = 0.0024876 k( 72) = ( 0.0000000 0.7011835 0.2199175), wk = 0.0024876 k( 73) = ( 0.0000000 0.7011835 0.2382440), wk = 0.0024876 k( 74) = ( 0.0000000 0.7011835 0.2565704), wk = 0.0024876 k( 75) = ( 0.0000000 0.7011835 0.2748969), wk = 0.0024876 k( 76) = ( 0.0000000 0.7011835 0.2932233), wk = 0.0024876 k( 77) = ( 0.0000000 0.7011835 0.3115498), wk = 0.0024876 k( 78) = ( 0.0000000 0.7011835 0.3298763), wk = 0.0024876 k( 79) = ( 0.0000000 0.7011835 0.3482027), wk = 0.0024876 k( 80) = ( 0.0000000 0.7011835 0.3665292), wk = 0.0024876 k( 81) = ( 0.0000000 0.7011835 0.3848556), wk = 0.0024876 k( 82) = ( 0.0000000 0.7011835 0.4031821), wk = 0.0024876 k( 83) = ( 0.0000000 0.7011835 0.4215086), wk = 0.0024876 k( 84) = ( 0.0000000 0.7011835 0.4398350), wk = 0.0024876 k( 85) = ( 0.0000000 0.7011835 0.4581615), wk = 0.0024876 k( 86) = ( 0.0000000 0.7011835 0.4764879), wk = 0.0024876 k( 87) = ( 0.0000000 0.7011835 0.4948144), wk = 0.0024876 k( 88) = ( 0.0000000 0.7011835 0.5131409), wk = 0.0024876 k( 89) = ( 0.0000000 0.7011835 0.5314673), wk = 0.0024876 k( 90) = ( 0.0000000 0.7011835 0.5497938), wk = 0.0024876 k( 91) = ( 0.0000000 0.7011835 0.5681202), wk = 0.0024876 k( 92) = ( 0.0000000 0.7011835 0.5864467), wk = 0.0024876 k( 93) = ( 0.0000000 0.7011835 0.6047732), wk = 0.0024876 k( 94) = ( 0.0000000 0.7011835 0.6230996), wk = 0.0024876 k( 95) = ( 0.0000000 0.7011835 0.6414261), wk = 0.0024876 k( 96) = ( 0.0000000 0.7011835 0.6597525), wk = 0.0024876 k( 97) = ( 0.0000000 0.7011835 0.6780790), wk = 0.0024876 k( 98) = ( 0.0000000 0.7011835 0.6964055), wk = 0.0024876 k( 99) = ( 0.0000000 0.7011835 0.7147319), wk = 0.0024876 k( 100) = ( 0.0000000 0.7011835 0.7330584), wk = 0.0024876 k( 101) = ( 0.0000000 0.7011835 0.7330584), wk = 0.0024876 k( 102) = ( 0.0183706 0.7011835 0.7330584), wk = 0.0024876 k( 103) = ( 0.0367413 0.7011835 0.7330584), wk = 0.0024876 k( 104) = ( 0.0551120 0.7011835 0.7330584), wk = 0.0024876 k( 105) = ( 0.0734826 0.7011835 0.7330584), wk = 0.0024876 k( 106) = ( 0.0918533 0.7011835 0.7330584), wk = 0.0024876 k( 107) = ( 0.1102239 0.7011835 0.7330584), wk = 0.0024876 k( 108) = ( 0.1285946 0.7011835 0.7330584), wk = 0.0024876 k( 109) = ( 0.1469652 0.7011835 0.7330584), wk = 0.0024876 k( 110) = ( 0.1653359 0.7011835 0.7330584), wk = 0.0024876 k( 111) = ( 0.1837065 0.7011835 0.7330584), wk = 0.0024876 k( 112) = ( 0.2020772 0.7011835 0.7330584), wk = 0.0024876 k( 113) = ( 0.2204479 0.7011835 0.7330584), wk = 0.0024876 k( 114) = ( 0.2388185 0.7011835 0.7330584), wk = 0.0024876 k( 115) = ( 0.2571892 0.7011835 0.7330584), wk = 0.0024876 k( 116) = ( 0.2755598 0.7011835 0.7330584), wk = 0.0024876 k( 117) = ( 0.2939305 0.7011835 0.7330584), wk = 0.0024876 k( 118) = ( 0.2939305 0.7011835 0.7330584), wk = 0.0024876 k( 119) = ( 0.2867614 0.6840815 0.7330584), wk = 0.0024876 k( 120) = ( 0.2795924 0.6669794 0.7330584), wk = 0.0024876 k( 121) = ( 0.2724234 0.6498774 0.7330584), wk = 0.0024876 k( 122) = ( 0.2652543 0.6327754 0.7330584), wk = 0.0024876 k( 123) = ( 0.2580853 0.6156733 0.7330584), wk = 0.0024876 k( 124) = ( 0.2509163 0.5985713 0.7330584), wk = 0.0024876 k( 125) = ( 0.2437472 0.5814693 0.7330584), wk = 0.0024876 k( 126) = ( 0.2365782 0.5643672 0.7330584), wk = 0.0024876 k( 127) = ( 0.2294091 0.5472652 0.7330584), wk = 0.0024876 k( 128) = ( 0.2222401 0.5301632 0.7330584), wk = 0.0024876 k( 129) = ( 0.2150711 0.5130611 0.7330584), wk = 0.0024876 k( 130) = ( 0.2079020 0.4959591 0.7330584), wk = 0.0024876 k( 131) = ( 0.2007330 0.4788570 0.7330584), wk = 0.0024876 k( 132) = ( 0.1935640 0.4617550 0.7330584), wk = 0.0024876 k( 133) = ( 0.1863949 0.4446530 0.7330584), wk = 0.0024876 k( 134) = ( 0.1792259 0.4275509 0.7330584), wk = 0.0024876 k( 135) = ( 0.1720569 0.4104489 0.7330584), wk = 0.0024876 k( 136) = ( 0.1648878 0.3933468 0.7330584), wk = 0.0024876 k( 137) = ( 0.1577188 0.3762448 0.7330584), wk = 0.0024876 k( 138) = ( 0.1505498 0.3591428 0.7330584), wk = 0.0024876 k( 139) = ( 0.1433807 0.3420408 0.7330584), wk = 0.0024876 k( 140) = ( 0.1362117 0.3249387 0.7330584), wk = 0.0024876 k( 141) = ( 0.1290426 0.3078367 0.7330584), wk = 0.0024876 k( 142) = ( 0.1218736 0.2907346 0.7330584), wk = 0.0024876 k( 143) = ( 0.1147046 0.2736326 0.7330584), wk = 0.0024876 k( 144) = ( 0.1075355 0.2565306 0.7330584), wk = 0.0024876 k( 145) = ( 0.1003665 0.2394285 0.7330584), wk = 0.0024876 k( 146) = ( 0.0931975 0.2223265 0.7330584), wk = 0.0024876 k( 147) = ( 0.0860284 0.2052244 0.7330584), wk = 0.0024876 k( 148) = ( 0.0788594 0.1881224 0.7330584), wk = 0.0024876 k( 149) = ( 0.0716904 0.1710204 0.7330584), wk = 0.0024876 k( 150) = ( 0.0645213 0.1539183 0.7330584), wk = 0.0024876 k( 151) = ( 0.0573523 0.1368163 0.7330584), wk = 0.0024876 k( 152) = ( 0.0501832 0.1197143 0.7330584), wk = 0.0024876 k( 153) = ( 0.0430142 0.1026122 0.7330584), wk = 0.0024876 k( 154) = ( 0.0358452 0.0855102 0.7330584), wk = 0.0024876 k( 155) = ( 0.0286761 0.0684081 0.7330584), wk = 0.0024876 k( 156) = ( 0.0215071 0.0513061 0.7330584), wk = 0.0024876 k( 157) = ( 0.0143381 0.0342041 0.7330584), wk = 0.0024876 k( 158) = ( 0.0071690 0.0171020 0.7330584), wk = 0.0024876 k( 159) = ( 0.0000000 0.0000000 0.7330584), wk = 0.0024876 k( 160) = ( 0.0000000 0.0000000 0.7330584), wk = 0.0024876 k( 161) = ( 0.0000000 0.0000000 0.7147319), wk = 0.0024876 k( 162) = ( 0.0000000 0.0000000 0.6964055), wk = 0.0024876 k( 163) = ( 0.0000000 0.0000000 0.6780790), wk = 0.0024876 k( 164) = ( 0.0000000 0.0000000 0.6597525), wk = 0.0024876 k( 165) = ( 0.0000000 0.0000000 0.6414261), wk = 0.0024876 k( 166) = ( 0.0000000 0.0000000 0.6230996), wk = 0.0024876 k( 167) = ( 0.0000000 0.0000000 0.6047732), wk = 0.0024876 k( 168) = ( 0.0000000 0.0000000 0.5864467), wk = 0.0024876 k( 169) = ( 0.0000000 0.0000000 0.5681202), wk = 0.0024876 k( 170) = ( 0.0000000 0.0000000 0.5497938), wk = 0.0024876 k( 171) = ( 0.0000000 0.0000000 0.5314673), wk = 0.0024876 k( 172) = ( 0.0000000 0.0000000 0.5131409), wk = 0.0024876 k( 173) = ( 0.0000000 0.0000000 0.4948144), wk = 0.0024876 k( 174) = ( 0.0000000 0.0000000 0.4764879), wk = 0.0024876 k( 175) = ( 0.0000000 0.0000000 0.4581615), wk = 0.0024876 k( 176) = ( 0.0000000 0.0000000 0.4398350), wk = 0.0024876 k( 177) = ( 0.0000000 0.0000000 0.4215086), wk = 0.0024876 k( 178) = ( 0.0000000 0.0000000 0.4031821), wk = 0.0024876 k( 179) = ( 0.0000000 0.0000000 0.3848556), wk = 0.0024876 k( 180) = ( 0.0000000 0.0000000 0.3665292), wk = 0.0024876 k( 181) = ( 0.0000000 0.0000000 0.3482027), wk = 0.0024876 k( 182) = ( 0.0000000 0.0000000 0.3298763), wk = 0.0024876 k( 183) = ( 0.0000000 0.0000000 0.3115498), wk = 0.0024876 k( 184) = ( 0.0000000 0.0000000 0.2932233), wk = 0.0024876 k( 185) = ( 0.0000000 0.0000000 0.2748969), wk = 0.0024876 k( 186) = ( 0.0000000 0.0000000 0.2565704), wk = 0.0024876 k( 187) = ( 0.0000000 0.0000000 0.2382440), wk = 0.0024876 k( 188) = ( 0.0000000 0.0000000 0.2199175), wk = 0.0024876 k( 189) = ( 0.0000000 0.0000000 0.2015911), wk = 0.0024876 k( 190) = ( 0.0000000 0.0000000 0.1832646), wk = 0.0024876 k( 191) = ( 0.0000000 0.0000000 0.1649381), wk = 0.0024876 k( 192) = ( 0.0000000 0.0000000 0.1466117), wk = 0.0024876 k( 193) = ( 0.0000000 0.0000000 0.1282852), wk = 0.0024876 k( 194) = ( 0.0000000 0.0000000 0.1099588), wk = 0.0024876 k( 195) = ( 0.0000000 0.0000000 0.0916323), wk = 0.0024876 k( 196) = ( 0.0000000 0.0000000 0.0733058), wk = 0.0024876 k( 197) = ( 0.0000000 0.0000000 0.0549794), wk = 0.0024876 k( 198) = ( 0.0000000 0.0000000 0.0366529), wk = 0.0024876 k( 199) = ( 0.0000000 0.0000000 0.0183265), wk = 0.0024876 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 202) = ( -0.0172414 0.0072274 -0.0000000), wk = 0.0024876 k( 203) = ( -0.0344828 0.0144549 -0.0000000), wk = 0.0024876 k( 204) = ( -0.0517241 0.0216823 -0.0000000), wk = 0.0024876 k( 205) = ( -0.0689655 0.0289098 -0.0000000), wk = 0.0024876 k( 206) = ( -0.0862069 0.0361372 0.0000000), wk = 0.0024876 k( 207) = ( -0.1034483 0.0433647 -0.0000000), wk = 0.0024876 k( 208) = ( -0.1206897 0.0505921 -0.0000000), wk = 0.0024876 k( 209) = ( -0.1379310 0.0578196 -0.0000000), wk = 0.0024876 k( 210) = ( -0.1551724 0.0650470 -0.0000000), wk = 0.0024876 k( 211) = ( -0.1724138 0.0722745 -0.0000000), wk = 0.0024876 k( 212) = ( -0.1896552 0.0795019 -0.0000000), wk = 0.0024876 k( 213) = ( -0.2068966 0.0867294 -0.0000000), wk = 0.0024876 k( 214) = ( -0.2241379 0.0939568 -0.0000000), wk = 0.0024876 k( 215) = ( -0.2413793 0.1011843 -0.0000000), wk = 0.0024876 k( 216) = ( -0.2586207 0.1084117 -0.0000000), wk = 0.0024876 k( 217) = ( -0.2758621 0.1156392 -0.0000000), wk = 0.0024876 k( 218) = ( -0.2931034 0.1228666 -0.0000000), wk = 0.0024876 k( 219) = ( -0.3103448 0.1300940 -0.0000000), wk = 0.0024876 k( 220) = ( -0.3275862 0.1373215 -0.0000000), wk = 0.0024876 k( 221) = ( -0.3448276 0.1445489 -0.0000000), wk = 0.0024876 k( 222) = ( -0.3620690 0.1517764 -0.0000000), wk = 0.0024876 k( 223) = ( -0.3793103 0.1590038 -0.0000000), wk = 0.0024876 k( 224) = ( -0.3965517 0.1662313 -0.0000000), wk = 0.0024876 k( 225) = ( -0.4137931 0.1734587 -0.0000000), wk = 0.0024876 k( 226) = ( -0.4310345 0.1806862 -0.0000000), wk = 0.0024876 k( 227) = ( -0.4482759 0.1879136 -0.0000000), wk = 0.0024876 k( 228) = ( -0.4655172 0.1951411 -0.0000000), wk = 0.0024876 k( 229) = ( -0.4827586 0.2023685 -0.0000000), wk = 0.0024876 k( 230) = ( -0.5000000 0.2095960 -0.0000000), wk = 0.0024876 k( 231) = ( -0.5000000 0.2095960 -0.0000000), wk = 0.0024876 k( 232) = ( -0.4928941 0.2265473 -0.0000000), wk = 0.0024876 k( 233) = ( -0.4857883 0.2434985 -0.0000000), wk = 0.0024876 k( 234) = ( -0.4786825 0.2604499 -0.0000000), wk = 0.0024876 k( 235) = ( -0.4715766 0.2774011 -0.0000000), wk = 0.0024876 k( 236) = ( -0.4644708 0.2943524 -0.0000000), wk = 0.0024876 k( 237) = ( -0.4573649 0.3113037 -0.0000000), wk = 0.0024876 k( 238) = ( -0.4502591 0.3282550 -0.0000000), wk = 0.0024876 k( 239) = ( -0.4431532 0.3452063 -0.0000000), wk = 0.0024876 k( 240) = ( -0.4360474 0.3621576 -0.0000000), wk = 0.0024876 k( 241) = ( -0.4289415 0.3791089 -0.0000000), wk = 0.0024876 k( 242) = ( -0.4218357 0.3960602 -0.0000000), wk = 0.0024876 k( 243) = ( -0.4147299 0.4130115 -0.0000000), wk = 0.0024876 k( 244) = ( -0.4076240 0.4299628 -0.0000000), wk = 0.0024876 k( 245) = ( -0.4005182 0.4469141 -0.0000000), wk = 0.0024876 k( 246) = ( -0.3934123 0.4638654 -0.0000000), wk = 0.0024876 k( 247) = ( -0.3863065 0.4808167 -0.0000000), wk = 0.0024876 k( 248) = ( -0.3792006 0.4977680 -0.0000000), wk = 0.0024876 k( 249) = ( -0.3720948 0.5147193 -0.0000000), wk = 0.0024876 k( 250) = ( -0.3649889 0.5316706 -0.0000000), wk = 0.0024876 k( 251) = ( -0.3578831 0.5486219 -0.0000000), wk = 0.0024876 k( 252) = ( -0.3507772 0.5655732 -0.0000000), wk = 0.0024876 k( 253) = ( -0.3436714 0.5825245 -0.0000000), wk = 0.0024876 k( 254) = ( -0.3365655 0.5994758 -0.0000000), wk = 0.0024876 k( 255) = ( -0.3294597 0.6164270 -0.0000000), wk = 0.0024876 k( 256) = ( -0.3223538 0.6333783 -0.0000000), wk = 0.0024876 k( 257) = ( -0.3152480 0.6503296 -0.0000000), wk = 0.0024876 k( 258) = ( -0.3081422 0.6672809 -0.0000000), wk = 0.0024876 k( 259) = ( -0.3010363 0.6842322 -0.0000000), wk = 0.0024876 k( 260) = ( -0.2939305 0.7011835 -0.0000000), wk = 0.0024876 k( 261) = ( -0.2939305 0.7011835 -0.0000000), wk = 0.0024876 k( 262) = ( -0.2939305 0.7011835 0.0183265), wk = 0.0024876 k( 263) = ( -0.2939305 0.7011835 0.0366529), wk = 0.0024876 k( 264) = ( -0.2939305 0.7011835 0.0549794), wk = 0.0024876 k( 265) = ( -0.2939305 0.7011835 0.0733058), wk = 0.0024876 k( 266) = ( -0.2939305 0.7011835 0.0916323), wk = 0.0024876 k( 267) = ( -0.2939305 0.7011835 0.1099588), wk = 0.0024876 k( 268) = ( -0.2939305 0.7011835 0.1282852), wk = 0.0024876 k( 269) = ( -0.2939305 0.7011835 0.1466117), wk = 0.0024876 k( 270) = ( -0.2939305 0.7011835 0.1649381), wk = 0.0024876 k( 271) = ( -0.2939305 0.7011835 0.1832646), wk = 0.0024876 k( 272) = ( -0.2939305 0.7011835 0.2015911), wk = 0.0024876 k( 273) = ( -0.2939305 0.7011835 0.2199175), wk = 0.0024876 k( 274) = ( -0.2939305 0.7011835 0.2382440), wk = 0.0024876 k( 275) = ( -0.2939305 0.7011835 0.2565704), wk = 0.0024876 k( 276) = ( -0.2939305 0.7011835 0.2748969), wk = 0.0024876 k( 277) = ( -0.2939305 0.7011835 0.2932233), wk = 0.0024876 k( 278) = ( -0.2939305 0.7011835 0.3115498), wk = 0.0024876 k( 279) = ( -0.2939305 0.7011835 0.3298763), wk = 0.0024876 k( 280) = ( -0.2939305 0.7011835 0.3482027), wk = 0.0024876 k( 281) = ( -0.2939305 0.7011835 0.3665292), wk = 0.0024876 k( 282) = ( -0.2939305 0.7011835 0.3848556), wk = 0.0024876 k( 283) = ( -0.2939305 0.7011835 0.4031821), wk = 0.0024876 k( 284) = ( -0.2939305 0.7011835 0.4215086), wk = 0.0024876 k( 285) = ( -0.2939305 0.7011835 0.4398350), wk = 0.0024876 k( 286) = ( -0.2939305 0.7011835 0.4581615), wk = 0.0024876 k( 287) = ( -0.2939305 0.7011835 0.4764879), wk = 0.0024876 k( 288) = ( -0.2939305 0.7011835 0.4948144), wk = 0.0024876 k( 289) = ( -0.2939305 0.7011835 0.5131409), wk = 0.0024876 k( 290) = ( -0.2939305 0.7011835 0.5314673), wk = 0.0024876 k( 291) = ( -0.2939305 0.7011835 0.5497938), wk = 0.0024876 k( 292) = ( -0.2939305 0.7011835 0.5681202), wk = 0.0024876 k( 293) = ( -0.2939305 0.7011835 0.5864467), wk = 0.0024876 k( 294) = ( -0.2939305 0.7011835 0.6047732), wk = 0.0024876 k( 295) = ( -0.2939305 0.7011835 0.6230996), wk = 0.0024876 k( 296) = ( -0.2939305 0.7011835 0.6414261), wk = 0.0024876 k( 297) = ( -0.2939305 0.7011835 0.6597525), wk = 0.0024876 k( 298) = ( -0.2939305 0.7011835 0.6780790), wk = 0.0024876 k( 299) = ( -0.2939305 0.7011835 0.6964055), wk = 0.0024876 k( 300) = ( -0.2939305 0.7011835 0.7147319), wk = 0.0024876 k( 301) = ( -0.2939305 0.7011835 0.7330584), wk = 0.0024876 k( 302) = ( -0.2939305 0.7011835 0.7330584), wk = 0.0024876 k( 303) = ( -0.3010363 0.6842322 0.7330584), wk = 0.0024876 k( 304) = ( -0.3081422 0.6672809 0.7330584), wk = 0.0024876 k( 305) = ( -0.3152480 0.6503296 0.7330584), wk = 0.0024876 k( 306) = ( -0.3223538 0.6333783 0.7330584), wk = 0.0024876 k( 307) = ( -0.3294597 0.6164270 0.7330584), wk = 0.0024876 k( 308) = ( -0.3365655 0.5994758 0.7330584), wk = 0.0024876 k( 309) = ( -0.3436714 0.5825245 0.7330584), wk = 0.0024876 k( 310) = ( -0.3507772 0.5655732 0.7330584), wk = 0.0024876 k( 311) = ( -0.3578831 0.5486219 0.7330584), wk = 0.0024876 k( 312) = ( -0.3649889 0.5316706 0.7330584), wk = 0.0024876 k( 313) = ( -0.3720948 0.5147193 0.7330584), wk = 0.0024876 k( 314) = ( -0.3792006 0.4977680 0.7330584), wk = 0.0024876 k( 315) = ( -0.3863065 0.4808167 0.7330584), wk = 0.0024876 k( 316) = ( -0.3934123 0.4638654 0.7330584), wk = 0.0024876 k( 317) = ( -0.4005182 0.4469141 0.7330584), wk = 0.0024876 k( 318) = ( -0.4076240 0.4299628 0.7330584), wk = 0.0024876 k( 319) = ( -0.4147299 0.4130115 0.7330584), wk = 0.0024876 k( 320) = ( -0.4218357 0.3960602 0.7330584), wk = 0.0024876 k( 321) = ( -0.4289415 0.3791089 0.7330584), wk = 0.0024876 k( 322) = ( -0.4360474 0.3621576 0.7330584), wk = 0.0024876 k( 323) = ( -0.4431532 0.3452063 0.7330584), wk = 0.0024876 k( 324) = ( -0.4502591 0.3282550 0.7330584), wk = 0.0024876 k( 325) = ( -0.4573649 0.3113037 0.7330584), wk = 0.0024876 k( 326) = ( -0.4644708 0.2943524 0.7330584), wk = 0.0024876 k( 327) = ( -0.4715766 0.2774011 0.7330584), wk = 0.0024876 k( 328) = ( -0.4786825 0.2604499 0.7330584), wk = 0.0024876 k( 329) = ( -0.4857883 0.2434985 0.7330584), wk = 0.0024876 k( 330) = ( -0.4928941 0.2265473 0.7330584), wk = 0.0024876 k( 331) = ( -0.5000000 0.2095960 0.7330584), wk = 0.0024876 k( 332) = ( -0.5000000 0.2095960 0.7330584), wk = 0.0024876 k( 333) = ( -0.5000000 0.2095960 0.7147319), wk = 0.0024876 k( 334) = ( -0.5000000 0.2095960 0.6964055), wk = 0.0024876 k( 335) = ( -0.5000000 0.2095960 0.6780790), wk = 0.0024876 k( 336) = ( -0.5000000 0.2095960 0.6597525), wk = 0.0024876 k( 337) = ( -0.5000000 0.2095960 0.6414261), wk = 0.0024876 k( 338) = ( -0.5000000 0.2095960 0.6230996), wk = 0.0024876 k( 339) = ( -0.5000000 0.2095960 0.6047732), wk = 0.0024876 k( 340) = ( -0.5000000 0.2095960 0.5864467), wk = 0.0024876 k( 341) = ( -0.5000000 0.2095960 0.5681202), wk = 0.0024876 k( 342) = ( -0.5000000 0.2095960 0.5497938), wk = 0.0024876 k( 343) = ( -0.5000000 0.2095960 0.5314673), wk = 0.0024876 k( 344) = ( -0.5000000 0.2095960 0.5131409), wk = 0.0024876 k( 345) = ( -0.5000000 0.2095960 0.4948144), wk = 0.0024876 k( 346) = ( -0.5000000 0.2095960 0.4764879), wk = 0.0024876 k( 347) = ( -0.5000000 0.2095960 0.4581615), wk = 0.0024876 k( 348) = ( -0.5000000 0.2095960 0.4398350), wk = 0.0024876 k( 349) = ( -0.5000000 0.2095960 0.4215086), wk = 0.0024876 k( 350) = ( -0.5000000 0.2095960 0.4031821), wk = 0.0024876 k( 351) = ( -0.5000000 0.2095960 0.3848556), wk = 0.0024876 k( 352) = ( -0.5000000 0.2095960 0.3665292), wk = 0.0024876 k( 353) = ( -0.5000000 0.2095960 0.3482027), wk = 0.0024876 k( 354) = ( -0.5000000 0.2095960 0.3298763), wk = 0.0024876 k( 355) = ( -0.5000000 0.2095960 0.3115498), wk = 0.0024876 k( 356) = ( -0.5000000 0.2095960 0.2932233), wk = 0.0024876 k( 357) = ( -0.5000000 0.2095960 0.2748969), wk = 0.0024876 k( 358) = ( -0.5000000 0.2095960 0.2565704), wk = 0.0024876 k( 359) = ( -0.5000000 0.2095960 0.2382440), wk = 0.0024876 k( 360) = ( -0.5000000 0.2095960 0.2199175), wk = 0.0024876 k( 361) = ( -0.5000000 0.2095960 0.2015911), wk = 0.0024876 k( 362) = ( -0.5000000 0.2095960 0.1832646), wk = 0.0024876 k( 363) = ( -0.5000000 0.2095960 0.1649381), wk = 0.0024876 k( 364) = ( -0.5000000 0.2095960 0.1466117), wk = 0.0024876 k( 365) = ( -0.5000000 0.2095960 0.1282852), wk = 0.0024876 k( 366) = ( -0.5000000 0.2095960 0.1099588), wk = 0.0024876 k( 367) = ( -0.5000000 0.2095960 0.0916323), wk = 0.0024876 k( 368) = ( -0.5000000 0.2095960 0.0733058), wk = 0.0024876 k( 369) = ( -0.5000000 0.2095960 0.0549794), wk = 0.0024876 k( 370) = ( -0.5000000 0.2095960 0.0366529), wk = 0.0024876 k( 371) = ( -0.5000000 0.2095960 0.0183265), wk = 0.0024876 k( 372) = ( -0.5000000 0.2095960 -0.0000000), wk = 0.0024876 k( 373) = ( 0.0000000 0.0000000 0.7330584), wk = 0.0024876 k( 374) = ( -0.0172414 0.0072274 0.7330584), wk = 0.0024876 k( 375) = ( -0.0344828 0.0144549 0.7330584), wk = 0.0024876 k( 376) = ( -0.0517241 0.0216823 0.7330584), wk = 0.0024876 k( 377) = ( -0.0689655 0.0289098 0.7330584), wk = 0.0024876 k( 378) = ( -0.0862069 0.0361372 0.7330584), wk = 0.0024876 k( 379) = ( -0.1034483 0.0433647 0.7330584), wk = 0.0024876 k( 380) = ( -0.1206897 0.0505921 0.7330584), wk = 0.0024876 k( 381) = ( -0.1379310 0.0578196 0.7330584), wk = 0.0024876 k( 382) = ( -0.1551724 0.0650470 0.7330584), wk = 0.0024876 k( 383) = ( -0.1724138 0.0722745 0.7330584), wk = 0.0024876 k( 384) = ( -0.1896552 0.0795019 0.7330584), wk = 0.0024876 k( 385) = ( -0.2068966 0.0867294 0.7330584), wk = 0.0024876 k( 386) = ( -0.2241379 0.0939568 0.7330584), wk = 0.0024876 k( 387) = ( -0.2413793 0.1011843 0.7330584), wk = 0.0024876 k( 388) = ( -0.2586207 0.1084117 0.7330584), wk = 0.0024876 k( 389) = ( -0.2758621 0.1156392 0.7330584), wk = 0.0024876 k( 390) = ( -0.2931034 0.1228666 0.7330584), wk = 0.0024876 k( 391) = ( -0.3103448 0.1300940 0.7330584), wk = 0.0024876 k( 392) = ( -0.3275862 0.1373215 0.7330584), wk = 0.0024876 k( 393) = ( -0.3448276 0.1445489 0.7330584), wk = 0.0024876 k( 394) = ( -0.3620690 0.1517764 0.7330584), wk = 0.0024876 k( 395) = ( -0.3793103 0.1590038 0.7330584), wk = 0.0024876 k( 396) = ( -0.3965517 0.1662313 0.7330584), wk = 0.0024876 k( 397) = ( -0.4137931 0.1734587 0.7330584), wk = 0.0024876 k( 398) = ( -0.4310345 0.1806862 0.7330584), wk = 0.0024876 k( 399) = ( -0.4482759 0.1879136 0.7330584), wk = 0.0024876 k( 400) = ( -0.4655172 0.1951411 0.7330584), wk = 0.0024876 k( 401) = ( -0.4827586 0.2023685 0.7330584), wk = 0.0024876 k( 402) = ( -0.5000000 0.2095960 0.7330584), wk = 0.0024876 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0071690 0.0071690 0.0000000), wk = 0.0024876 k( 3) = ( 0.0143381 0.0143381 -0.0000000), wk = 0.0024876 k( 4) = ( 0.0215071 0.0215071 0.0000000), wk = 0.0024876 k( 5) = ( 0.0286761 0.0286761 -0.0000000), wk = 0.0024876 k( 6) = ( 0.0358452 0.0358452 0.0000000), wk = 0.0024876 k( 7) = ( 0.0430142 0.0430142 -0.0000000), wk = 0.0024876 k( 8) = ( 0.0501832 0.0501832 -0.0000000), wk = 0.0024876 k( 9) = ( 0.0573523 0.0573523 -0.0000000), wk = 0.0024876 k( 10) = ( 0.0645213 0.0645213 0.0000000), wk = 0.0024876 k( 11) = ( 0.0716904 0.0716904 0.0000000), wk = 0.0024876 k( 12) = ( 0.0788594 0.0788594 -0.0000000), wk = 0.0024876 k( 13) = ( 0.0860284 0.0860284 0.0000000), wk = 0.0024876 k( 14) = ( 0.0931975 0.0931975 0.0000000), wk = 0.0024876 k( 15) = ( 0.1003665 0.1003665 -0.0000000), wk = 0.0024876 k( 16) = ( 0.1075355 0.1075355 0.0000000), wk = 0.0024876 k( 17) = ( 0.1147046 0.1147046 0.0000000), wk = 0.0024876 k( 18) = ( 0.1218736 0.1218736 0.0000000), wk = 0.0024876 k( 19) = ( 0.1290426 0.1290426 0.0000000), wk = 0.0024876 k( 20) = ( 0.1362117 0.1362117 0.0000000), wk = 0.0024876 k( 21) = ( 0.1433807 0.1433807 0.0000000), wk = 0.0024876 k( 22) = ( 0.1505498 0.1505497 -0.0000000), wk = 0.0024876 k( 23) = ( 0.1577188 0.1577188 -0.0000000), wk = 0.0024876 k( 24) = ( 0.1648878 0.1648878 0.0000000), wk = 0.0024876 k( 25) = ( 0.1720569 0.1720569 0.0000000), wk = 0.0024876 k( 26) = ( 0.1792259 0.1792259 0.0000000), wk = 0.0024876 k( 27) = ( 0.1863949 0.1863949 0.0000000), wk = 0.0024876 k( 28) = ( 0.1935640 0.1935640 0.0000000), wk = 0.0024876 k( 29) = ( 0.2007330 0.2007330 -0.0000000), wk = 0.0024876 k( 30) = ( 0.2079020 0.2079020 0.0000000), wk = 0.0024876 k( 31) = ( 0.2150711 0.2150711 0.0000000), wk = 0.0024876 k( 32) = ( 0.2222401 0.2222401 0.0000000), wk = 0.0024876 k( 33) = ( 0.2294091 0.2294091 0.0000000), wk = 0.0024876 k( 34) = ( 0.2365782 0.2365782 0.0000000), wk = 0.0024876 k( 35) = ( 0.2437472 0.2437472 0.0000000), wk = 0.0024876 k( 36) = ( 0.2509163 0.2509163 -0.0000000), wk = 0.0024876 k( 37) = ( 0.2580853 0.2580853 0.0000000), wk = 0.0024876 k( 38) = ( 0.2652543 0.2652543 0.0000000), wk = 0.0024876 k( 39) = ( 0.2724234 0.2724234 0.0000000), wk = 0.0024876 k( 40) = ( 0.2795924 0.2795924 -0.0000000), wk = 0.0024876 k( 41) = ( 0.2867614 0.2867614 0.0000000), wk = 0.0024876 k( 42) = ( 0.2939305 0.2939305 0.0000000), wk = 0.0024876 k( 43) = ( 0.2939305 0.2939305 0.0000000), wk = 0.0024876 k( 44) = ( 0.2755598 0.3068098 0.0000000), wk = 0.0024876 k( 45) = ( 0.2571892 0.3196892 -0.0000000), wk = 0.0024876 k( 46) = ( 0.2388185 0.3325685 0.0000000), wk = 0.0024876 k( 47) = ( 0.2204479 0.3454479 0.0000000), wk = 0.0024876 k( 48) = ( 0.2020772 0.3583272 0.0000000), wk = 0.0024876 k( 49) = ( 0.1837065 0.3712065 0.0000000), wk = 0.0024876 k( 50) = ( 0.1653359 0.3840859 0.0000000), wk = 0.0024876 k( 51) = ( 0.1469652 0.3969652 0.0000000), wk = 0.0024876 k( 52) = ( 0.1285946 0.4098446 0.0000000), wk = 0.0024876 k( 53) = ( 0.1102239 0.4227239 0.0000000), wk = 0.0024876 k( 54) = ( 0.0918533 0.4356033 0.0000000), wk = 0.0024876 k( 55) = ( 0.0734826 0.4484826 0.0000000), wk = 0.0024876 k( 56) = ( 0.0551120 0.4613620 -0.0000000), wk = 0.0024876 k( 57) = ( 0.0367413 0.4742413 0.0000000), wk = 0.0024876 k( 58) = ( 0.0183706 0.4871207 0.0000000), wk = 0.0024876 k( 59) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024876 k( 60) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024876 k( 61) = ( 0.0000000 0.5000000 0.0125000), wk = 0.0024876 k( 62) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0024876 k( 63) = ( 0.0000000 0.5000000 0.0375000), wk = 0.0024876 k( 64) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0024876 k( 65) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0024876 k( 66) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0024876 k( 67) = ( 0.0000000 0.5000000 0.0875000), wk = 0.0024876 k( 68) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0024876 k( 69) = ( 0.0000000 0.5000000 0.1125000), wk = 0.0024876 k( 70) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0024876 k( 71) = ( 0.0000000 0.5000000 0.1375000), wk = 0.0024876 k( 72) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0024876 k( 73) = ( 0.0000000 0.5000000 0.1625000), wk = 0.0024876 k( 74) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0024876 k( 75) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0024876 k( 76) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0024876 k( 77) = ( 0.0000000 0.5000000 0.2125000), wk = 0.0024876 k( 78) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0024876 k( 79) = ( 0.0000000 0.5000000 0.2375000), wk = 0.0024876 k( 80) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024876 k( 81) = ( 0.0000000 0.5000000 0.2625000), wk = 0.0024876 k( 82) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0024876 k( 83) = ( 0.0000000 0.5000000 0.2875000), wk = 0.0024876 k( 84) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0024876 k( 85) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0024876 k( 86) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0024876 k( 87) = ( 0.0000000 0.5000000 0.3375000), wk = 0.0024876 k( 88) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0024876 k( 89) = ( 0.0000000 0.5000000 0.3625000), wk = 0.0024876 k( 90) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0024876 k( 91) = ( 0.0000000 0.5000000 0.3875000), wk = 0.0024876 k( 92) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0024876 k( 93) = ( 0.0000000 0.5000000 0.4125000), wk = 0.0024876 k( 94) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0024876 k( 95) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0024876 k( 96) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0024876 k( 97) = ( 0.0000000 0.5000000 0.4625000), wk = 0.0024876 k( 98) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0024876 k( 99) = ( 0.0000000 0.5000000 0.4875000), wk = 0.0024876 k( 100) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024876 k( 101) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024876 k( 102) = ( 0.0183706 0.4871207 0.5000000), wk = 0.0024876 k( 103) = ( 0.0367413 0.4742413 0.5000000), wk = 0.0024876 k( 104) = ( 0.0551120 0.4613620 0.5000000), wk = 0.0024876 k( 105) = ( 0.0734826 0.4484826 0.5000000), wk = 0.0024876 k( 106) = ( 0.0918533 0.4356033 0.5000000), wk = 0.0024876 k( 107) = ( 0.1102239 0.4227239 0.5000000), wk = 0.0024876 k( 108) = ( 0.1285946 0.4098446 0.5000000), wk = 0.0024876 k( 109) = ( 0.1469652 0.3969652 0.5000000), wk = 0.0024876 k( 110) = ( 0.1653359 0.3840859 0.5000000), wk = 0.0024876 k( 111) = ( 0.1837065 0.3712065 0.5000000), wk = 0.0024876 k( 112) = ( 0.2020772 0.3583272 0.5000000), wk = 0.0024876 k( 113) = ( 0.2204479 0.3454479 0.5000000), wk = 0.0024876 k( 114) = ( 0.2388185 0.3325685 0.5000000), wk = 0.0024876 k( 115) = ( 0.2571892 0.3196892 0.5000000), wk = 0.0024876 k( 116) = ( 0.2755598 0.3068098 0.5000000), wk = 0.0024876 k( 117) = ( 0.2939305 0.2939305 0.5000000), wk = 0.0024876 k( 118) = ( 0.2939305 0.2939305 0.5000000), wk = 0.0024876 k( 119) = ( 0.2867614 0.2867614 0.5000000), wk = 0.0024876 k( 120) = ( 0.2795924 0.2795924 0.5000000), wk = 0.0024876 k( 121) = ( 0.2724234 0.2724234 0.5000000), wk = 0.0024876 k( 122) = ( 0.2652543 0.2652543 0.5000000), wk = 0.0024876 k( 123) = ( 0.2580853 0.2580853 0.5000000), wk = 0.0024876 k( 124) = ( 0.2509163 0.2509163 0.5000000), wk = 0.0024876 k( 125) = ( 0.2437472 0.2437472 0.5000000), wk = 0.0024876 k( 126) = ( 0.2365782 0.2365782 0.5000000), wk = 0.0024876 k( 127) = ( 0.2294091 0.2294091 0.5000000), wk = 0.0024876 k( 128) = ( 0.2222401 0.2222401 0.5000000), wk = 0.0024876 k( 129) = ( 0.2150711 0.2150711 0.5000000), wk = 0.0024876 k( 130) = ( 0.2079020 0.2079020 0.5000000), wk = 0.0024876 k( 131) = ( 0.2007330 0.2007330 0.5000000), wk = 0.0024876 k( 132) = ( 0.1935640 0.1935640 0.5000000), wk = 0.0024876 k( 133) = ( 0.1863949 0.1863949 0.5000000), wk = 0.0024876 k( 134) = ( 0.1792259 0.1792259 0.5000000), wk = 0.0024876 k( 135) = ( 0.1720569 0.1720569 0.5000000), wk = 0.0024876 k( 136) = ( 0.1648878 0.1648878 0.5000000), wk = 0.0024876 k( 137) = ( 0.1577188 0.1577188 0.5000000), wk = 0.0024876 k( 138) = ( 0.1505498 0.1505497 0.5000000), wk = 0.0024876 k( 139) = ( 0.1433807 0.1433807 0.5000000), wk = 0.0024876 k( 140) = ( 0.1362117 0.1362117 0.5000000), wk = 0.0024876 k( 141) = ( 0.1290426 0.1290426 0.5000000), wk = 0.0024876 k( 142) = ( 0.1218736 0.1218736 0.5000000), wk = 0.0024876 k( 143) = ( 0.1147046 0.1147046 0.5000000), wk = 0.0024876 k( 144) = ( 0.1075355 0.1075355 0.5000000), wk = 0.0024876 k( 145) = ( 0.1003665 0.1003665 0.5000000), wk = 0.0024876 k( 146) = ( 0.0931975 0.0931975 0.5000000), wk = 0.0024876 k( 147) = ( 0.0860284 0.0860284 0.5000000), wk = 0.0024876 k( 148) = ( 0.0788594 0.0788594 0.5000000), wk = 0.0024876 k( 149) = ( 0.0716904 0.0716904 0.5000000), wk = 0.0024876 k( 150) = ( 0.0645213 0.0645213 0.5000000), wk = 0.0024876 k( 151) = ( 0.0573523 0.0573523 0.5000000), wk = 0.0024876 k( 152) = ( 0.0501832 0.0501832 0.5000000), wk = 0.0024876 k( 153) = ( 0.0430142 0.0430142 0.5000000), wk = 0.0024876 k( 154) = ( 0.0358452 0.0358452 0.5000000), wk = 0.0024876 k( 155) = ( 0.0286761 0.0286761 0.5000000), wk = 0.0024876 k( 156) = ( 0.0215071 0.0215071 0.5000000), wk = 0.0024876 k( 157) = ( 0.0143381 0.0143381 0.5000000), wk = 0.0024876 k( 158) = ( 0.0071690 0.0071690 0.5000000), wk = 0.0024876 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 161) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0024876 k( 162) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0024876 k( 163) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0024876 k( 164) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0024876 k( 165) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0024876 k( 166) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0024876 k( 167) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0024876 k( 168) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0024876 k( 169) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0024876 k( 170) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0024876 k( 171) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0024876 k( 172) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0024876 k( 173) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0024876 k( 174) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0024876 k( 175) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0024876 k( 176) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0024876 k( 177) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0024876 k( 178) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0024876 k( 179) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0024876 k( 180) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024876 k( 181) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0024876 k( 182) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0024876 k( 183) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0024876 k( 184) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0024876 k( 185) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0024876 k( 186) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0024876 k( 187) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0024876 k( 188) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0024876 k( 189) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0024876 k( 190) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0024876 k( 191) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0024876 k( 192) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0024876 k( 193) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0024876 k( 194) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0024876 k( 195) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0024876 k( 196) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0024876 k( 197) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0024876 k( 198) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0024876 k( 199) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0024876 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 202) = ( -0.0172414 0.0172414 0.0000000), wk = 0.0024876 k( 203) = ( -0.0344828 0.0344828 0.0000000), wk = 0.0024876 k( 204) = ( -0.0517241 0.0517241 -0.0000000), wk = 0.0024876 k( 205) = ( -0.0689655 0.0689655 0.0000000), wk = 0.0024876 k( 206) = ( -0.0862069 0.0862069 0.0000000), wk = 0.0024876 k( 207) = ( -0.1034483 0.1034483 -0.0000000), wk = 0.0024876 k( 208) = ( -0.1206897 0.1206897 -0.0000000), wk = 0.0024876 k( 209) = ( -0.1379310 0.1379310 -0.0000000), wk = 0.0024876 k( 210) = ( -0.1551724 0.1551724 -0.0000000), wk = 0.0024876 k( 211) = ( -0.1724138 0.1724138 -0.0000000), wk = 0.0024876 k( 212) = ( -0.1896552 0.1896552 -0.0000000), wk = 0.0024876 k( 213) = ( -0.2068966 0.2068966 0.0000000), wk = 0.0024876 k( 214) = ( -0.2241379 0.2241379 0.0000000), wk = 0.0024876 k( 215) = ( -0.2413793 0.2413793 -0.0000000), wk = 0.0024876 k( 216) = ( -0.2586207 0.2586207 0.0000000), wk = 0.0024876 k( 217) = ( -0.2758621 0.2758621 0.0000000), wk = 0.0024876 k( 218) = ( -0.2931034 0.2931034 -0.0000000), wk = 0.0024876 k( 219) = ( -0.3103448 0.3103448 -0.0000000), wk = 0.0024876 k( 220) = ( -0.3275862 0.3275862 0.0000000), wk = 0.0024876 k( 221) = ( -0.3448276 0.3448276 -0.0000000), wk = 0.0024876 k( 222) = ( -0.3620690 0.3620690 -0.0000000), wk = 0.0024876 k( 223) = ( -0.3793103 0.3793103 -0.0000000), wk = 0.0024876 k( 224) = ( -0.3965517 0.3965517 -0.0000000), wk = 0.0024876 k( 225) = ( -0.4137931 0.4137931 0.0000000), wk = 0.0024876 k( 226) = ( -0.4310345 0.4310345 -0.0000000), wk = 0.0024876 k( 227) = ( -0.4482759 0.4482759 0.0000000), wk = 0.0024876 k( 228) = ( -0.4655172 0.4655172 -0.0000000), wk = 0.0024876 k( 229) = ( -0.4827586 0.4827586 -0.0000000), wk = 0.0024876 k( 230) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0024876 k( 231) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0024876 k( 232) = ( -0.4928941 0.5071058 -0.0000000), wk = 0.0024876 k( 233) = ( -0.4857883 0.5142117 -0.0000000), wk = 0.0024876 k( 234) = ( -0.4786825 0.5213175 -0.0000000), wk = 0.0024876 k( 235) = ( -0.4715766 0.5284234 0.0000000), wk = 0.0024876 k( 236) = ( -0.4644708 0.5355292 -0.0000000), wk = 0.0024876 k( 237) = ( -0.4573649 0.5426351 0.0000000), wk = 0.0024876 k( 238) = ( -0.4502591 0.5497409 0.0000000), wk = 0.0024876 k( 239) = ( -0.4431532 0.5568468 -0.0000000), wk = 0.0024876 k( 240) = ( -0.4360474 0.5639526 0.0000000), wk = 0.0024876 k( 241) = ( -0.4289415 0.5710585 -0.0000000), wk = 0.0024876 k( 242) = ( -0.4218357 0.5781643 -0.0000000), wk = 0.0024876 k( 243) = ( -0.4147299 0.5852702 0.0000000), wk = 0.0024876 k( 244) = ( -0.4076240 0.5923760 -0.0000000), wk = 0.0024876 k( 245) = ( -0.4005182 0.5994818 -0.0000000), wk = 0.0024876 k( 246) = ( -0.3934123 0.6065877 0.0000000), wk = 0.0024876 k( 247) = ( -0.3863065 0.6136935 0.0000000), wk = 0.0024876 k( 248) = ( -0.3792006 0.6207994 -0.0000000), wk = 0.0024876 k( 249) = ( -0.3720948 0.6279052 0.0000000), wk = 0.0024876 k( 250) = ( -0.3649889 0.6350111 0.0000000), wk = 0.0024876 k( 251) = ( -0.3578831 0.6421169 0.0000000), wk = 0.0024876 k( 252) = ( -0.3507772 0.6492228 -0.0000000), wk = 0.0024876 k( 253) = ( -0.3436714 0.6563286 0.0000000), wk = 0.0024876 k( 254) = ( -0.3365655 0.6634345 -0.0000000), wk = 0.0024876 k( 255) = ( -0.3294597 0.6705403 0.0000000), wk = 0.0024876 k( 256) = ( -0.3223538 0.6776461 0.0000000), wk = 0.0024876 k( 257) = ( -0.3152480 0.6847520 0.0000000), wk = 0.0024876 k( 258) = ( -0.3081422 0.6918578 0.0000000), wk = 0.0024876 k( 259) = ( -0.3010363 0.6989637 0.0000000), wk = 0.0024876 k( 260) = ( -0.2939305 0.7060695 -0.0000000), wk = 0.0024876 k( 261) = ( -0.2939305 0.7060695 -0.0000000), wk = 0.0024876 k( 262) = ( -0.2939305 0.7060695 0.0125000), wk = 0.0024876 k( 263) = ( -0.2939305 0.7060695 0.0250000), wk = 0.0024876 k( 264) = ( -0.2939305 0.7060695 0.0375000), wk = 0.0024876 k( 265) = ( -0.2939305 0.7060695 0.0500000), wk = 0.0024876 k( 266) = ( -0.2939305 0.7060695 0.0625000), wk = 0.0024876 k( 267) = ( -0.2939305 0.7060695 0.0750000), wk = 0.0024876 k( 268) = ( -0.2939305 0.7060695 0.0875000), wk = 0.0024876 k( 269) = ( -0.2939305 0.7060695 0.1000000), wk = 0.0024876 k( 270) = ( -0.2939305 0.7060695 0.1125000), wk = 0.0024876 k( 271) = ( -0.2939305 0.7060695 0.1250000), wk = 0.0024876 k( 272) = ( -0.2939305 0.7060695 0.1375000), wk = 0.0024876 k( 273) = ( -0.2939305 0.7060695 0.1500000), wk = 0.0024876 k( 274) = ( -0.2939305 0.7060695 0.1625000), wk = 0.0024876 k( 275) = ( -0.2939305 0.7060695 0.1750000), wk = 0.0024876 k( 276) = ( -0.2939305 0.7060695 0.1875000), wk = 0.0024876 k( 277) = ( -0.2939305 0.7060695 0.2000000), wk = 0.0024876 k( 278) = ( -0.2939305 0.7060695 0.2125000), wk = 0.0024876 k( 279) = ( -0.2939305 0.7060695 0.2250000), wk = 0.0024876 k( 280) = ( -0.2939305 0.7060695 0.2375000), wk = 0.0024876 k( 281) = ( -0.2939305 0.7060695 0.2500000), wk = 0.0024876 k( 282) = ( -0.2939305 0.7060695 0.2625000), wk = 0.0024876 k( 283) = ( -0.2939305 0.7060695 0.2750000), wk = 0.0024876 k( 284) = ( -0.2939305 0.7060695 0.2875000), wk = 0.0024876 k( 285) = ( -0.2939305 0.7060695 0.3000000), wk = 0.0024876 k( 286) = ( -0.2939305 0.7060695 0.3125000), wk = 0.0024876 k( 287) = ( -0.2939305 0.7060695 0.3250000), wk = 0.0024876 k( 288) = ( -0.2939305 0.7060695 0.3375000), wk = 0.0024876 k( 289) = ( -0.2939305 0.7060695 0.3500000), wk = 0.0024876 k( 290) = ( -0.2939305 0.7060695 0.3625000), wk = 0.0024876 k( 291) = ( -0.2939305 0.7060695 0.3750000), wk = 0.0024876 k( 292) = ( -0.2939305 0.7060695 0.3875000), wk = 0.0024876 k( 293) = ( -0.2939305 0.7060695 0.4000000), wk = 0.0024876 k( 294) = ( -0.2939305 0.7060695 0.4125000), wk = 0.0024876 k( 295) = ( -0.2939305 0.7060695 0.4250000), wk = 0.0024876 k( 296) = ( -0.2939305 0.7060695 0.4375000), wk = 0.0024876 k( 297) = ( -0.2939305 0.7060695 0.4500000), wk = 0.0024876 k( 298) = ( -0.2939305 0.7060695 0.4625000), wk = 0.0024876 k( 299) = ( -0.2939305 0.7060695 0.4750000), wk = 0.0024876 k( 300) = ( -0.2939305 0.7060695 0.4875000), wk = 0.0024876 k( 301) = ( -0.2939305 0.7060695 0.5000000), wk = 0.0024876 k( 302) = ( -0.2939305 0.7060695 0.5000000), wk = 0.0024876 k( 303) = ( -0.3010363 0.6989637 0.5000000), wk = 0.0024876 k( 304) = ( -0.3081422 0.6918578 0.5000000), wk = 0.0024876 k( 305) = ( -0.3152480 0.6847520 0.5000000), wk = 0.0024876 k( 306) = ( -0.3223538 0.6776461 0.5000000), wk = 0.0024876 k( 307) = ( -0.3294597 0.6705403 0.5000000), wk = 0.0024876 k( 308) = ( -0.3365655 0.6634345 0.5000000), wk = 0.0024876 k( 309) = ( -0.3436714 0.6563286 0.5000000), wk = 0.0024876 k( 310) = ( -0.3507772 0.6492228 0.5000000), wk = 0.0024876 k( 311) = ( -0.3578831 0.6421169 0.5000000), wk = 0.0024876 k( 312) = ( -0.3649889 0.6350111 0.5000000), wk = 0.0024876 k( 313) = ( -0.3720948 0.6279052 0.5000000), wk = 0.0024876 k( 314) = ( -0.3792006 0.6207994 0.5000000), wk = 0.0024876 k( 315) = ( -0.3863065 0.6136935 0.5000000), wk = 0.0024876 k( 316) = ( -0.3934123 0.6065877 0.5000000), wk = 0.0024876 k( 317) = ( -0.4005182 0.5994818 0.5000000), wk = 0.0024876 k( 318) = ( -0.4076240 0.5923760 0.5000000), wk = 0.0024876 k( 319) = ( -0.4147299 0.5852702 0.5000000), wk = 0.0024876 k( 320) = ( -0.4218357 0.5781643 0.5000000), wk = 0.0024876 k( 321) = ( -0.4289415 0.5710585 0.5000000), wk = 0.0024876 k( 322) = ( -0.4360474 0.5639526 0.5000000), wk = 0.0024876 k( 323) = ( -0.4431532 0.5568468 0.5000000), wk = 0.0024876 k( 324) = ( -0.4502591 0.5497409 0.5000000), wk = 0.0024876 k( 325) = ( -0.4573649 0.5426351 0.5000000), wk = 0.0024876 k( 326) = ( -0.4644708 0.5355292 0.5000000), wk = 0.0024876 k( 327) = ( -0.4715766 0.5284234 0.5000000), wk = 0.0024876 k( 328) = ( -0.4786825 0.5213175 0.5000000), wk = 0.0024876 k( 329) = ( -0.4857883 0.5142117 0.5000000), wk = 0.0024876 k( 330) = ( -0.4928941 0.5071058 0.5000000), wk = 0.0024876 k( 331) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024876 k( 332) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024876 k( 333) = ( -0.5000000 0.5000000 0.4875000), wk = 0.0024876 k( 334) = ( -0.5000000 0.5000000 0.4750000), wk = 0.0024876 k( 335) = ( -0.5000000 0.5000000 0.4625000), wk = 0.0024876 k( 336) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0024876 k( 337) = ( -0.5000000 0.5000000 0.4375000), wk = 0.0024876 k( 338) = ( -0.5000000 0.5000000 0.4250000), wk = 0.0024876 k( 339) = ( -0.5000000 0.5000000 0.4125000), wk = 0.0024876 k( 340) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0024876 k( 341) = ( -0.5000000 0.5000000 0.3875000), wk = 0.0024876 k( 342) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0024876 k( 343) = ( -0.5000000 0.5000000 0.3625000), wk = 0.0024876 k( 344) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0024876 k( 345) = ( -0.5000000 0.5000000 0.3375000), wk = 0.0024876 k( 346) = ( -0.5000000 0.5000000 0.3250000), wk = 0.0024876 k( 347) = ( -0.5000000 0.5000000 0.3125000), wk = 0.0024876 k( 348) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0024876 k( 349) = ( -0.5000000 0.5000000 0.2875000), wk = 0.0024876 k( 350) = ( -0.5000000 0.5000000 0.2750000), wk = 0.0024876 k( 351) = ( -0.5000000 0.5000000 0.2625000), wk = 0.0024876 k( 352) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0024876 k( 353) = ( -0.5000000 0.5000000 0.2375000), wk = 0.0024876 k( 354) = ( -0.5000000 0.5000000 0.2250000), wk = 0.0024876 k( 355) = ( -0.5000000 0.5000000 0.2125000), wk = 0.0024876 k( 356) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0024876 k( 357) = ( -0.5000000 0.5000000 0.1875000), wk = 0.0024876 k( 358) = ( -0.5000000 0.5000000 0.1750000), wk = 0.0024876 k( 359) = ( -0.5000000 0.5000000 0.1625000), wk = 0.0024876 k( 360) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0024876 k( 361) = ( -0.5000000 0.5000000 0.1375000), wk = 0.0024876 k( 362) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0024876 k( 363) = ( -0.5000000 0.5000000 0.1125000), wk = 0.0024876 k( 364) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0024876 k( 365) = ( -0.5000000 0.5000000 0.0875000), wk = 0.0024876 k( 366) = ( -0.5000000 0.5000000 0.0750000), wk = 0.0024876 k( 367) = ( -0.5000000 0.5000000 0.0625000), wk = 0.0024876 k( 368) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0024876 k( 369) = ( -0.5000000 0.5000000 0.0375000), wk = 0.0024876 k( 370) = ( -0.5000000 0.5000000 0.0250000), wk = 0.0024876 k( 371) = ( -0.5000000 0.5000000 0.0125000), wk = 0.0024876 k( 372) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0024876 k( 373) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 374) = ( -0.0172414 0.0172414 0.5000000), wk = 0.0024876 k( 375) = ( -0.0344828 0.0344828 0.5000000), wk = 0.0024876 k( 376) = ( -0.0517241 0.0517241 0.5000000), wk = 0.0024876 k( 377) = ( -0.0689655 0.0689655 0.5000000), wk = 0.0024876 k( 378) = ( -0.0862069 0.0862069 0.5000000), wk = 0.0024876 k( 379) = ( -0.1034483 0.1034483 0.5000000), wk = 0.0024876 k( 380) = ( -0.1206897 0.1206897 0.5000000), wk = 0.0024876 k( 381) = ( -0.1379310 0.1379310 0.5000000), wk = 0.0024876 k( 382) = ( -0.1551724 0.1551724 0.5000000), wk = 0.0024876 k( 383) = ( -0.1724138 0.1724138 0.5000000), wk = 0.0024876 k( 384) = ( -0.1896552 0.1896552 0.5000000), wk = 0.0024876 k( 385) = ( -0.2068966 0.2068966 0.5000000), wk = 0.0024876 k( 386) = ( -0.2241379 0.2241379 0.5000000), wk = 0.0024876 k( 387) = ( -0.2413793 0.2413793 0.5000000), wk = 0.0024876 k( 388) = ( -0.2586207 0.2586207 0.5000000), wk = 0.0024876 k( 389) = ( -0.2758621 0.2758621 0.5000000), wk = 0.0024876 k( 390) = ( -0.2931034 0.2931034 0.5000000), wk = 0.0024876 k( 391) = ( -0.3103448 0.3103448 0.5000000), wk = 0.0024876 k( 392) = ( -0.3275862 0.3275862 0.5000000), wk = 0.0024876 k( 393) = ( -0.3448276 0.3448276 0.5000000), wk = 0.0024876 k( 394) = ( -0.3620690 0.3620690 0.5000000), wk = 0.0024876 k( 395) = ( -0.3793103 0.3793103 0.5000000), wk = 0.0024876 k( 396) = ( -0.3965517 0.3965517 0.5000000), wk = 0.0024876 k( 397) = ( -0.4137931 0.4137931 0.5000000), wk = 0.0024876 k( 398) = ( -0.4310345 0.4310345 0.5000000), wk = 0.0024876 k( 399) = ( -0.4482759 0.4482759 0.5000000), wk = 0.0024876 k( 400) = ( -0.4655172 0.4655172 0.5000000), wk = 0.0024876 k( 401) = ( -0.4827586 0.4827586 0.5000000), wk = 0.0024876 k( 402) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024876 Dense grid: 51729 G-vectors FFT dimensions: ( 60, 60, 45) Smooth grid: 28507 G-vectors FFT dimensions: ( 50, 50, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 152, 36) NL pseudopotentials 0.11 Mb ( 76, 96) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1078) G-vector shells 0.00 Mb ( 559) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.33 Mb ( 152, 144) Each subspace H/S matrix 0.32 Mb ( 144, 144) Each matrix 0.11 Mb ( 96, 2, 36) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./CaGe.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.8 secs Computing kpt #: 2 total cpu time spent up to now is 44.8 secs Computing kpt #: 3 total cpu time spent up to now is 48.1 secs Computing kpt #: 4 total cpu time spent up to now is 49.9 secs Computing kpt #: 5 total cpu time spent up to now is 51.7 secs Computing kpt #: 6 total cpu time spent up to now is 53.7 secs Computing kpt #: 7 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 56.2 secs Computing kpt #: 8 total cpu time spent up to now is 58.2 secs Computing kpt #: 9 total cpu time spent up to now is 59.9 secs Computing kpt #: 10 total cpu time spent up to now is 61.7 secs Computing kpt #: 11 total cpu time spent up to now is 63.5 secs Computing kpt #: 12 total cpu time spent up to now is 65.3 secs Computing kpt #: 13 total cpu time spent up to now is 67.6 secs Computing kpt #: 14 total cpu time spent up to now is 70.2 secs Computing kpt #: 15 total cpu time spent up to now is 71.9 secs Computing kpt #: 16 total cpu time spent up to now is 73.6 secs Computing kpt #: 17 total cpu time spent up to now is 75.4 secs Computing kpt #: 18 total cpu time spent up to now is 77.2 secs Computing kpt #: 19 total cpu time spent up to now is 79.2 secs Computing kpt #: 20 total cpu time spent up to now is 81.2 secs Computing kpt #: 21 total cpu time spent up to now is 83.1 secs Computing kpt #: 22 total cpu time spent up to now is 85.0 secs Computing kpt #: 23 total cpu time spent up to now is 86.8 secs Computing kpt #: 24 total cpu time spent up to now is 89.2 secs Computing kpt #: 25 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 91.8 secs Computing kpt #: 26 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 94.4 secs Computing kpt #: 27 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.9 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 99.6 secs Computing kpt #: 29 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 102.4 secs Computing kpt #: 30 total cpu time spent up to now is 104.4 secs Computing kpt #: 31 total cpu time spent up to now is 106.3 secs Computing kpt #: 32 total cpu time spent up to now is 108.5 secs Computing kpt #: 33 total cpu time spent up to now is 110.3 secs Computing kpt #: 34 total cpu time spent up to now is 112.0 secs Computing kpt #: 35 total cpu time spent up to now is 113.7 secs Computing kpt #: 36 total cpu time spent up to now is 115.5 secs Computing kpt #: 37 total cpu time spent up to now is 117.1 secs Computing kpt #: 38 total cpu time spent up to now is 118.8 secs Computing kpt #: 39 total cpu time spent up to now is 120.5 secs Computing kpt #: 40 total cpu time spent up to now is 122.1 secs Computing kpt #: 41 total cpu time spent up to now is 124.0 secs Computing kpt #: 42 total cpu time spent up to now is 125.7 secs Computing kpt #: 43 total cpu time spent up to now is 127.4 secs Computing kpt #: 44 total cpu time spent up to now is 129.3 secs Computing kpt #: 45 total cpu time spent up to now is 131.1 secs Computing kpt #: 46 total cpu time spent up to now is 133.3 secs Computing kpt #: 47 total cpu time spent up to now is 135.4 secs Computing kpt #: 48 total cpu time spent up to now is 137.5 secs Computing kpt #: 49 total cpu time spent up to now is 139.6 secs Computing kpt #: 50 total cpu time spent up to now is 141.8 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 144.1 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 146.5 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 148.9 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 151.2 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 153.7 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 156.4 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 158.8 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 161.2 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 163.5 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 165.9 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 168.3 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 170.7 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 173.1 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 175.5 secs Computing kpt #: 65 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 177.8 secs Computing kpt #: 66 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 180.2 secs Computing kpt #: 67 total cpu time spent up to now is 182.4 secs Computing kpt #: 68 total cpu time spent up to now is 184.5 secs Computing kpt #: 69 total cpu time spent up to now is 186.5 secs Computing kpt #: 70 total cpu time spent up to now is 188.4 secs Computing kpt #: 71 total cpu time spent up to now is 190.4 secs Computing kpt #: 72 total cpu time spent up to now is 192.2 secs Computing kpt #: 73 total cpu time spent up to now is 193.9 secs Computing kpt #: 74 total cpu time spent up to now is 195.5 secs Computing kpt #: 75 total cpu time spent up to now is 197.3 secs Computing kpt #: 76 total cpu time spent up to now is 198.9 secs Computing kpt #: 77 total cpu time spent up to now is 200.5 secs Computing kpt #: 78 total cpu time spent up to now is 202.0 secs Computing kpt #: 79 total cpu time spent up to now is 203.6 secs Computing kpt #: 80 total cpu time spent up to now is 205.1 secs Computing kpt #: 81 total cpu time spent up to now is 206.6 secs Computing kpt #: 82 total cpu time spent up to now is 208.2 secs Computing kpt #: 83 total cpu time spent up to now is 209.8 secs Computing kpt #: 84 total cpu time spent up to now is 211.4 secs Computing kpt #: 85 total cpu time spent up to now is 212.9 secs Computing kpt #: 86 total cpu time spent up to now is 214.5 secs Computing kpt #: 87 total cpu time spent up to now is 216.2 secs Computing kpt #: 88 total cpu time spent up to now is 217.9 secs Computing kpt #: 89 total cpu time spent up to now is 219.6 secs Computing kpt #: 90 total cpu time spent up to now is 221.4 secs Computing kpt #: 91 total cpu time spent up to now is 223.1 secs Computing kpt #: 92 total cpu time spent up to now is 224.8 secs Computing kpt #: 93 total cpu time spent up to now is 226.8 secs Computing kpt #: 94 total cpu time spent up to now is 228.9 secs Computing kpt #: 95 total cpu time spent up to now is 230.7 secs Computing kpt #: 96 total cpu time spent up to now is 232.6 secs Computing kpt #: 97 total cpu time spent up to now is 234.5 secs Computing kpt #: 98 total cpu time spent up to now is 236.4 secs Computing kpt #: 99 total cpu time spent up to now is 238.3 secs Computing kpt #: 100 total cpu time spent up to now is 240.3 secs Computing kpt #: 101 total cpu time spent up to now is 242.2 secs Computing kpt #: 102 total cpu time spent up to now is 244.2 secs Computing kpt #: 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cpu time spent up to now is 274.4 secs Computing kpt #: 119 total cpu time spent up to now is 275.9 secs Computing kpt #: 120 total cpu time spent up to now is 277.5 secs Computing kpt #: 121 total cpu time spent up to now is 279.2 secs Computing kpt #: 122 total cpu time spent up to now is 280.9 secs Computing kpt #: 123 total cpu time spent up to now is 282.4 secs Computing kpt #: 124 total cpu time spent up to now is 284.0 secs Computing kpt #: 125 total cpu time spent up to now is 285.4 secs Computing kpt #: 126 total cpu time spent up to now is 286.8 secs Computing kpt #: 127 total cpu time spent up to now is 288.1 secs Computing kpt #: 128 total cpu time spent up to now is 289.4 secs Computing kpt #: 129 total cpu time spent up to now is 290.8 secs Computing kpt #: 130 total cpu time spent up to now is 292.8 secs Computing kpt #: 131 total cpu time spent up to now is 294.2 secs Computing kpt #: 132 total cpu time spent up to now is 295.4 secs Computing kpt #: 133 total cpu time spent up to now is 296.6 secs Computing kpt #: 134 total cpu time spent up to now is 297.8 secs Computing kpt #: 135 total cpu time spent up to now is 299.0 secs Computing kpt #: 136 total cpu time spent up to now is 300.3 secs Computing kpt #: 137 total cpu time spent up to now is 301.6 secs Computing kpt #: 138 total cpu time spent up to now is 302.9 secs Computing kpt #: 139 total cpu time spent up to now is 304.3 secs Computing kpt #: 140 total cpu time spent up to now is 305.4 secs Computing kpt #: 141 total cpu time spent up to now is 306.8 secs Computing kpt #: 142 total cpu time spent up to now is 308.2 secs Computing kpt #: 143 total cpu time spent up to now is 309.4 secs Computing kpt #: 144 total cpu time spent up to now is 310.7 secs Computing kpt #: 145 total cpu time spent up to now is 311.9 secs Computing kpt #: 146 total cpu time spent up to now is 313.3 secs Computing kpt #: 147 total cpu time spent up to now is 314.7 secs Computing kpt #: 148 total cpu time spent up to now is 316.0 secs Computing kpt #: 149 total cpu time spent up to now is 317.2 secs Computing kpt #: 150 total cpu time spent up to now is 318.4 secs Computing kpt #: 151 total cpu time spent up to now is 319.7 secs Computing kpt #: 152 total cpu time spent up to now is 320.9 secs Computing kpt #: 153 total cpu time spent up to now is 322.2 secs Computing kpt #: 154 total cpu time spent up to now is 323.4 secs Computing kpt #: 155 total cpu time spent up to now is 324.6 secs Computing kpt #: 156 total cpu time spent up to now is 325.8 secs Computing kpt #: 157 total cpu time spent up to now is 326.9 secs Computing kpt #: 158 total cpu time spent up to now is 328.1 secs Computing kpt #: 159 total cpu time spent up to now is 329.3 secs Computing kpt #: 160 total cpu time spent up to now is 330.4 secs Computing kpt #: 161 total cpu time spent up to now is 331.6 secs Computing kpt #: 162 total cpu time spent up to now is 332.8 secs Computing kpt #: 163 total cpu time spent up to now is 334.1 secs Computing kpt #: 164 total cpu time spent up to now is 335.4 secs Computing kpt #: 165 total cpu time spent up to now is 336.8 secs Computing kpt #: 166 total cpu time spent up to now is 338.0 secs Computing kpt #: 167 total cpu time spent up to now is 339.4 secs Computing kpt #: 168 total cpu time spent up to now is 340.7 secs Computing kpt #: 169 total cpu time spent up to now is 342.0 secs Computing kpt #: 170 total cpu time spent up to now is 343.2 secs Computing kpt #: 171 total cpu time spent up to now is 344.4 secs Computing kpt #: 172 total cpu time spent up to now is 345.7 secs Computing kpt #: 173 total cpu time spent up to now is 347.0 secs Computing kpt #: 174 total cpu time spent up to now is 348.4 secs Computing kpt #: 175 total cpu time spent up to now is 349.7 secs Computing kpt #: 176 total cpu time spent up to now is 350.9 secs Computing kpt #: 177 total cpu time spent up to now is 352.2 secs Computing kpt #: 178 total cpu time spent up to now is 353.5 secs Computing kpt #: 179 total cpu time spent up to now is 354.7 secs Computing kpt #: 180 total cpu time spent up to now is 356.2 secs Computing kpt #: 181 total cpu time spent up to now is 357.3 secs Computing kpt #: 182 total cpu time spent up to now is 358.5 secs Computing kpt #: 183 total cpu time spent up to now is 359.8 secs Computing kpt #: 184 total cpu time spent up to now is 361.1 secs Computing kpt #: 185 total cpu time spent up to now is 362.4 secs Computing kpt #: 186 total cpu time spent up to now is 363.6 secs Computing kpt #: 187 total cpu time spent up to now is 365.2 secs Computing kpt #: 188 total cpu time spent up to now is 366.5 secs Computing kpt #: 189 total cpu time spent up to now is 367.9 secs Computing kpt #: 190 total cpu time spent up to now is 369.4 secs Computing kpt #: 191 total cpu time spent up to now is 370.9 secs Computing kpt #: 192 total cpu time spent up to now is 372.6 secs Computing kpt #: 193 total cpu time spent up to now is 374.3 secs Computing kpt #: 194 total cpu time spent up to now is 377.0 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 379.4 secs Computing kpt #: 196 total cpu time spent up to now is 381.3 secs Computing kpt #: 197 total cpu time spent up to now is 383.0 secs Computing kpt #: 198 total cpu time spent up to now is 384.7 secs Computing kpt #: 199 total cpu time spent up to now is 386.3 secs Computing kpt #: 200 total cpu time spent up to now is 387.9 secs Computing kpt #: 201 total cpu time spent up to now is 389.8 secs Computing kpt #: 202 total cpu time spent up to now is 391.4 secs Computing kpt #: 203 total cpu time spent up to now is 393.1 secs Computing kpt #: 204 total cpu time spent up to now is 394.6 secs Computing kpt #: 205 total cpu time spent up to now is 396.2 secs Computing kpt #: 206 total cpu time spent up to now is 397.8 secs Computing kpt #: 207 total cpu time spent up to now is 399.6 secs Computing kpt #: 208 total cpu time spent up to now is 401.2 secs Computing kpt #: 209 total cpu time spent up to now is 402.8 secs Computing kpt #: 210 total cpu time spent up to now is 404.5 secs Computing kpt #: 211 total cpu time spent up to now is 406.0 secs Computing kpt #: 212 total cpu time spent up to now is 407.6 secs Computing kpt #: 213 total cpu time spent up to now is 409.2 secs Computing kpt #: 214 total cpu time spent up to now is 410.8 secs Computing kpt #: 215 total cpu time spent up to now is 412.4 secs Computing kpt #: 216 total cpu time spent up to now is 414.0 secs Computing kpt #: 217 total cpu time spent up to now is 415.6 secs Computing kpt #: 218 total cpu time spent up to now is 417.3 secs Computing kpt #: 219 total cpu time spent up to now is 418.7 secs Computing kpt #: 220 total cpu time spent up to now is 420.5 secs Computing kpt #: 221 total cpu time spent up to now is 422.1 secs Computing kpt #: 222 total cpu time spent up to now is 423.8 secs Computing kpt #: 223 total cpu time spent up to now is 425.7 secs Computing kpt #: 224 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 428.4 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 431.0 secs Computing kpt #: 226 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 433.3 secs Computing kpt #: 227 total cpu time spent up to now is 435.2 secs Computing kpt #: 228 total cpu time spent up to now is 437.1 secs Computing kpt #: 229 total cpu time spent up to now is 438.9 secs Computing kpt #: 230 total cpu time spent up to now is 440.6 secs Computing kpt #: 231 total cpu time spent up to now is 442.4 secs Computing kpt #: 232 total cpu time spent up to now is 444.2 secs Computing kpt #: 233 total cpu time spent up to now is 446.3 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 449.0 secs Computing kpt #: 235 total cpu time spent up to now is 451.2 secs Computing kpt #: 236 total cpu time spent up to now is 452.8 secs Computing kpt #: 237 total cpu time spent up to now is 454.5 secs Computing kpt #: 238 total cpu time spent up to now is 456.8 secs Computing kpt #: 239 total cpu time spent up to now is 458.5 secs Computing kpt #: 240 total cpu time spent up to now is 461.1 secs Computing kpt #: 241 total cpu time spent up to now is 462.5 secs Computing kpt #: 242 total cpu time spent up to now is 463.9 secs Computing kpt #: 243 total cpu time spent up to now is 465.4 secs Computing kpt #: 244 total cpu time spent up to now is 467.5 secs Computing kpt #: 245 total cpu time spent up to now is 470.0 secs Computing kpt #: 246 total cpu time spent up to now is 471.8 secs Computing kpt #: 247 total cpu time spent up to now is 473.5 secs Computing kpt #: 248 total cpu time spent up to now is 475.1 secs Computing kpt #: 249 total cpu time spent up to now is 476.8 secs Computing kpt #: 250 total cpu time spent up to now is 478.6 secs Computing kpt #: 251 total cpu time spent up to now is 480.5 secs Computing kpt #: 252 total cpu time spent up to now is 482.8 secs Computing kpt #: 253 total cpu time spent up to now is 485.5 secs Computing kpt #: 254 total cpu time spent up to now is 487.8 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 490.3 secs Computing kpt #: 256 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 492.6 secs Computing kpt #: 257 total cpu time spent up to now is 494.8 secs Computing kpt #: 258 total cpu time spent up to now is 496.9 secs Computing kpt #: 259 total cpu time spent up to now is 498.6 secs Computing kpt #: 260 total cpu time spent up to now is 500.6 secs Computing kpt #: 261 total cpu time spent up to now is 502.3 secs Computing kpt #: 262 total cpu time spent up to now is 503.9 secs Computing kpt #: 263 total cpu time spent up to now is 505.7 secs Computing kpt #: 264 total cpu time spent up to now is 507.4 secs Computing kpt #: 265 total cpu time spent up to now is 509.4 secs Computing kpt #: 266 total cpu time spent up to now is 511.1 secs Computing kpt #: 267 total cpu time spent up to now is 512.7 secs Computing kpt #: 268 total cpu time spent up to now is 514.5 secs Computing kpt #: 269 total cpu time spent up to now is 516.0 secs Computing kpt #: 270 total cpu time spent up to now is 517.6 secs Computing kpt #: 271 total cpu time spent up to now is 519.0 secs Computing kpt #: 272 total cpu time spent up to now is 520.5 secs Computing kpt #: 273 total cpu time spent up to now is 522.1 secs Computing kpt #: 274 total cpu time spent up to now is 523.9 secs Computing kpt #: 275 total cpu time spent up to now is 525.4 secs Computing kpt #: 276 total cpu time spent up to now is 526.9 secs Computing kpt #: 277 total cpu time spent up to now is 528.6 secs Computing kpt #: 278 total cpu time spent up to now is 530.2 secs Computing kpt #: 279 total cpu time spent up to now is 531.6 secs Computing kpt #: 280 total cpu time spent up to now is 533.1 secs Computing kpt #: 281 total cpu time spent up to now is 534.8 secs Computing kpt #: 282 total cpu time spent up to now is 536.2 secs Computing kpt #: 283 total cpu time spent up to now is 537.5 secs Computing kpt #: 284 total cpu time spent up to now is 539.0 secs Computing kpt #: 285 total cpu time spent up to now is 540.3 secs Computing kpt #: 286 total cpu time spent up to now is 541.7 secs Computing kpt #: 287 total cpu time spent up to now is 543.0 secs Computing kpt #: 288 total cpu time spent up to now is 544.3 secs Computing kpt #: 289 total cpu time spent up to now is 545.7 secs Computing kpt #: 290 total cpu time spent up to now is 547.1 secs Computing kpt #: 291 total cpu time spent up to now is 548.7 secs Computing kpt #: 292 total cpu time spent up to now is 550.1 secs Computing kpt #: 293 total cpu time spent up to now is 551.7 secs Computing kpt #: 294 total cpu time spent up to now is 553.3 secs Computing kpt #: 295 total cpu time spent up to now is 555.1 secs Computing kpt #: 296 total cpu time spent up to now is 556.8 secs Computing kpt #: 297 total cpu time spent up to now is 558.3 secs Computing kpt #: 298 total cpu time spent up to now is 559.8 secs Computing kpt #: 299 total cpu time spent up to now is 561.3 secs Computing kpt #: 300 total cpu time spent up to now is 563.2 secs Computing kpt #: 301 total cpu time spent up to now is 565.2 secs Computing kpt #: 302 total cpu time spent up to now is 567.1 secs Computing kpt #: 303 total cpu time spent up to now is 570.3 secs Computing kpt #: 304 total cpu time spent up to now is 571.6 secs Computing kpt #: 305 total cpu time spent up to now is 572.9 secs Computing kpt #: 306 total cpu time spent up to now is 574.2 secs Computing kpt #: 307 total cpu time spent up to now is 575.5 secs Computing kpt #: 308 total cpu time spent up to now is 576.9 secs Computing kpt #: 309 total cpu time spent up to now is 578.4 secs Computing kpt #: 310 total cpu time spent up to now is 579.6 secs Computing kpt #: 311 total cpu time spent up to now is 581.0 secs Computing kpt #: 312 total cpu time spent up to now is 582.3 secs Computing kpt #: 313 total cpu time spent up to now is 583.4 secs Computing kpt #: 314 total cpu time spent up to now is 584.6 secs Computing kpt #: 315 total cpu time spent up to now is 585.8 secs Computing kpt #: 316 total cpu time spent up to now is 586.9 secs Computing kpt #: 317 total cpu time spent up to now is 588.0 secs Computing kpt #: 318 total cpu time spent up to now is 589.2 secs Computing kpt #: 319 total cpu time spent up to now is 590.8 secs Computing kpt #: 320 total cpu time spent up to now is 592.0 secs Computing kpt #: 321 total cpu time spent up to now is 593.2 secs Computing kpt #: 322 total cpu time spent up to now is 594.3 secs Computing kpt #: 323 total cpu time spent up to now is 595.6 secs Computing kpt #: 324 total cpu time spent up to now is 597.0 secs Computing kpt #: 325 total cpu time spent up to now is 598.4 secs Computing kpt #: 326 total cpu time spent up to now is 599.9 secs Computing kpt #: 327 total cpu time spent up to now is 601.4 secs Computing kpt #: 328 total cpu time spent up to now is 603.0 secs Computing kpt #: 329 total cpu time spent up to now is 604.7 secs Computing kpt #: 330 total cpu time spent up to now is 606.5 secs Computing kpt #: 331 total cpu time spent up to now is 608.6 secs Computing kpt #: 332 total cpu time spent up to now is 610.6 secs Computing kpt #: 333 total cpu time spent up to now is 612.7 secs Computing kpt #: 334 total cpu time spent up to now is 614.6 secs Computing kpt #: 335 total cpu time spent up to now is 616.4 secs Computing kpt #: 336 total cpu time spent up to now is 618.1 secs Computing kpt #: 337 total cpu time spent up to now is 619.8 secs Computing kpt #: 338 total cpu time spent up to now is 621.5 secs Computing kpt #: 339 total cpu time spent up to now is 623.2 secs Computing kpt #: 340 total cpu time spent up to now is 624.8 secs Computing kpt #: 341 total cpu time spent up to now is 626.5 secs Computing kpt #: 342 total cpu time spent up to now is 628.0 secs Computing kpt #: 343 total cpu time spent up to now is 629.6 secs Computing kpt #: 344 total cpu time spent up to now is 631.3 secs Computing kpt #: 345 total cpu time spent up to now is 632.8 secs Computing kpt #: 346 total cpu time spent up to now is 634.5 secs Computing kpt #: 347 total cpu time spent up to now is 636.1 secs Computing kpt #: 348 total cpu time spent up to now is 637.7 secs Computing kpt #: 349 total cpu time spent up to now is 639.5 secs Computing kpt #: 350 total cpu time spent up to now is 641.1 secs Computing kpt #: 351 total cpu time spent up to now is 643.3 secs Computing kpt #: 352 total cpu time spent up to now is 645.0 secs Computing kpt #: 353 total cpu time spent up to now is 646.6 secs Computing kpt #: 354 total cpu time spent up to now is 648.3 secs Computing kpt #: 355 total cpu time spent up to now is 649.9 secs Computing kpt #: 356 total cpu time spent up to now is 651.6 secs Computing kpt #: 357 total cpu time spent up to now is 653.4 secs Computing kpt #: 358 total cpu time spent up to now is 655.3 secs Computing kpt #: 359 total cpu time spent up to now is 657.4 secs Computing kpt #: 360 total cpu time spent up to now is 659.1 secs Computing kpt #: 361 total cpu time spent up to now is 660.8 secs Computing kpt #: 362 total cpu time spent up to now is 663.4 secs Computing kpt #: 363 total cpu time spent up to now is 665.2 secs Computing kpt #: 364 total cpu time spent up to now is 667.7 secs Computing kpt #: 365 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 670.8 secs Computing kpt #: 366 total cpu time spent up to now is 673.4 secs Computing kpt #: 367 total cpu time spent up to now is 675.1 secs Computing kpt #: 368 total cpu time spent up to now is 676.9 secs Computing kpt #: 369 total cpu time spent up to now is 678.6 secs Computing kpt #: 370 total cpu time spent up to now is 680.5 secs Computing kpt #: 371 total cpu time spent up to now is 682.7 secs Computing kpt #: 372 total cpu time spent up to now is 684.5 secs Computing kpt #: 373 total cpu time spent up to now is 686.1 secs Computing kpt #: 374 total cpu time spent up to now is 688.2 secs Computing kpt #: 375 total cpu time spent up to now is 690.0 secs Computing kpt #: 376 total cpu time spent up to now is 691.2 secs Computing kpt #: 377 total cpu time spent up to now is 692.4 secs Computing kpt #: 378 total cpu time spent up to now is 693.6 secs Computing kpt #: 379 total cpu time spent up to now is 694.8 secs Computing kpt #: 380 total cpu time spent up to now is 696.3 secs Computing kpt #: 381 total cpu time spent up to now is 697.6 secs Computing kpt #: 382 total cpu time spent up to now is 699.2 secs Computing kpt #: 383 total cpu time spent up to now is 700.5 secs Computing kpt #: 384 total cpu time spent up to now is 701.7 secs Computing kpt #: 385 total cpu time spent up to now is 703.1 secs Computing kpt #: 386 total cpu time spent up to now is 704.5 secs Computing kpt #: 387 total cpu time spent up to now is 706.0 secs Computing kpt #: 388 total cpu time spent up to now is 707.6 secs Computing kpt #: 389 total cpu time spent up to now is 709.3 secs Computing kpt #: 390 total cpu time spent up to now is 711.0 secs Computing kpt #: 391 total cpu time spent up to now is 712.7 secs Computing kpt #: 392 total cpu time spent up to now is 714.7 secs Computing kpt #: 393 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 717.3 secs Computing kpt #: 394 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 719.9 secs Computing kpt #: 395 total cpu time spent up to now is 722.4 secs Computing kpt #: 396 total cpu time spent up to now is 724.8 secs Computing kpt #: 397 total cpu time spent up to now is 726.9 secs Computing kpt #: 398 total cpu time spent up to now is 729.0 secs Computing kpt #: 399 total cpu time spent up to now is 731.1 secs Computing kpt #: 400 total cpu time spent up to now is 733.1 secs Computing kpt #: 401 total cpu time spent up to now is 735.0 secs Computing kpt #: 402 total cpu time spent up to now is 737.5 secs ethr = 3.57E-11, avg # of iterations = 63.1 total cpu time spent up to now is 737.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3571 PWs) bands (ev): -33.8788 -33.8788 -33.8547 -33.8547 -15.1974 -15.1974 -15.1076 -15.1076 -14.8476 -14.8476 -14.7724 -14.7724 -14.7498 -14.7498 -14.6974 -14.6974 -3.2227 -3.2227 1.0942 1.0942 4.7369 4.7369 5.4261 5.4261 5.9616 5.9616 7.3089 7.3089 8.1631 8.1631 8.2960 8.2960 9.8923 9.8923 10.0265 10.0265 k = 0.0072 0.0171-0.0000 ( 3579 PWs) bands (ev): -33.8788 -33.8788 -33.8547 -33.8547 -15.1974 -15.1974 -15.1077 -15.1077 -14.8477 -14.8477 -14.7724 -14.7724 -14.7498 -14.7498 -14.6974 -14.6974 -3.2219 -3.2219 1.0949 1.0949 4.7315 4.7315 5.4274 5.4274 5.9610 5.9610 7.3067 7.3067 8.1581 8.1581 8.3016 8.3016 9.8897 9.8897 10.0333 10.0333 k = 0.0143 0.0342-0.0000 ( 3575 PWs) bands (ev): -33.8787 -33.8787 -33.8547 -33.8547 -15.1974 -15.1974 -15.1078 -15.1078 -14.8476 -14.8476 -14.7725 -14.7725 -14.7499 -14.7499 -14.6975 -14.6975 -3.2197 -3.2197 1.0970 1.0970 4.7153 4.7153 5.4312 5.4312 5.9594 5.9594 7.3001 7.3001 8.1439 8.1439 8.3183 8.3183 9.8821 9.8821 10.0533 10.0533 k = 0.0215 0.0513-0.0000 ( 3577 PWs) bands (ev): -33.8787 -33.8787 -33.8548 -33.8548 -15.1973 -15.1973 -15.1081 -15.1081 -14.8475 -14.8475 -14.7725 -14.7725 -14.7501 -14.7501 -14.6975 -14.6975 -3.2159 -3.2159 1.1005 1.1005 4.6892 4.6892 5.4372 5.4372 5.9568 5.9568 7.2884 7.2884 8.1223 8.1223 8.3456 8.3456 9.8703 9.8703 10.0847 10.0847 k = 0.0287 0.0684-0.0000 ( 3579 PWs) bands (ev): -33.8787 -33.8787 -33.8548 -33.8548 -15.1972 -15.1972 -15.1084 -15.1084 -14.8474 -14.8474 -14.7727 -14.7727 -14.7503 -14.7503 -14.6976 -14.6976 -3.2107 -3.2107 1.1054 1.1054 4.6539 4.6539 5.4450 5.4450 5.9530 5.9530 7.2708 7.2708 8.0961 8.0961 8.3831 8.3831 9.8552 9.8552 10.1252 10.1252 k = 0.0358 0.0855-0.0000 ( 3587 PWs) bands (ev): -33.8786 -33.8786 -33.8548 -33.8548 -15.1971 -15.1971 -15.1089 -15.1089 -14.8473 -14.8473 -14.7729 -14.7729 -14.7506 -14.7506 -14.6977 -14.6977 -3.2040 -3.2040 1.1116 1.1116 4.6107 4.6107 5.4540 5.4540 5.9483 5.9483 7.2460 7.2460 8.0684 8.0684 8.4301 8.4301 9.8379 9.8379 10.1712 10.1712 k = 0.0430 0.1026-0.0000 ( 3573 PWs) bands (ev): -33.8785 -33.8785 -33.8549 -33.8549 -15.1970 -15.1970 -15.1094 -15.1094 -14.8471 -14.8471 -14.7730 -14.7730 -14.7509 -14.7509 -14.6978 -14.6978 -3.1959 -3.1959 1.1190 1.1190 4.5606 4.5606 5.4639 5.4639 5.9426 5.9426 7.2131 7.2131 8.0424 8.0424 8.4859 8.4859 9.8196 9.8196 10.1886 10.1886 k = 0.0502 0.1197-0.0000 ( 3569 PWs) bands (ev): -33.8784 -33.8784 -33.8549 -33.8549 -15.1968 -15.1968 -15.1100 -15.1100 -14.8469 -14.8469 -14.7733 -14.7733 -14.7513 -14.7513 -14.6979 -14.6979 -3.1864 -3.1864 1.1277 1.1277 4.5048 4.5048 5.4744 5.4744 5.9360 5.9360 7.1713 7.1713 8.0209 8.0209 8.5494 8.5494 9.8009 9.8009 10.1133 10.1133 k = 0.0574 0.1368-0.0000 ( 3575 PWs) bands (ev): -33.8784 -33.8784 -33.8550 -33.8550 -15.1966 -15.1966 -15.1107 -15.1107 -14.8467 -14.8467 -14.7736 -14.7736 -14.7517 -14.7517 -14.6981 -14.6981 -3.1756 -3.1756 1.1375 1.1375 4.4443 4.4443 5.4852 5.4852 5.9285 5.9285 7.1203 7.1203 8.0058 8.0058 8.6199 8.6199 9.7826 9.7826 10.0346 10.0346 k = 0.0645 0.1539-0.0000 ( 3571 PWs) bands (ev): -33.8783 -33.8783 -33.8550 -33.8550 -15.1964 -15.1964 -15.1115 -15.1115 -14.8465 -14.8465 -14.7739 -14.7739 -14.7521 -14.7521 -14.6983 -14.6983 -3.1636 -3.1636 1.1484 1.1484 4.3801 4.3801 5.4962 5.4962 5.9201 5.9201 7.0608 7.0608 7.9980 7.9980 8.6963 8.6963 9.7654 9.7654 9.9575 9.9575 k = 0.0717 0.1710-0.0000 ( 3567 PWs) bands (ev): -33.8781 -33.8781 -33.8551 -33.8551 -15.1962 -15.1962 -15.1123 -15.1123 -14.8462 -14.8462 -14.7742 -14.7742 -14.7526 -14.7526 -14.6985 -14.6985 -3.1504 -3.1504 1.1603 1.1603 4.3131 4.3131 5.5073 5.5073 5.9111 5.9111 6.9936 6.9936 7.9978 7.9978 8.7778 8.7778 9.7498 9.7498 9.8828 9.8828 k = 0.0789 0.1881-0.0000 ( 3567 PWs) bands (ev): -33.8780 -33.8780 -33.8552 -33.8552 -15.1960 -15.1960 -15.1133 -15.1133 -14.8459 -14.8459 -14.7747 -14.7747 -14.7530 -14.7530 -14.6987 -14.6987 -3.1361 -3.1361 1.1730 1.1730 4.2440 4.2440 5.5185 5.5185 5.9013 5.9013 6.9203 6.9203 8.0048 8.0048 8.8634 8.8634 9.7359 9.7359 9.8104 9.8104 k = 0.0860 0.2052-0.0000 ( 3571 PWs) bands (ev): -33.8779 -33.8779 -33.8552 -33.8552 -15.1957 -15.1957 -15.1143 -15.1143 -14.8456 -14.8456 -14.7752 -14.7752 -14.7535 -14.7535 -14.6989 -14.6989 -3.1207 -3.1207 1.1865 1.1865 4.1737 4.1737 5.5299 5.5299 5.8910 5.8910 6.8422 6.8422 8.0184 8.0184 8.9523 8.9523 9.7240 9.7240 9.7407 9.7407 k = 0.0932 0.2223-0.0000 ( 3573 PWs) bands (ev): -33.8777 -33.8777 -33.8553 -33.8553 -15.1955 -15.1955 -15.1154 -15.1154 -14.8453 -14.8453 -14.7757 -14.7757 -14.7540 -14.7540 -14.6992 -14.6992 -3.1044 -3.1044 1.2006 1.2006 4.1028 4.1028 5.5413 5.5413 5.8802 5.8802 6.7611 6.7611 8.0376 8.0376 9.0437 9.0437 9.6732 9.6732 9.7148 9.7148 k = 0.1004 0.2394-0.0000 ( 3573 PWs) bands (ev): -33.8776 -33.8776 -33.8554 -33.8554 -15.1952 -15.1952 -15.1165 -15.1165 -14.8449 -14.8449 -14.7763 -14.7763 -14.7544 -14.7544 -14.6995 -14.6995 -3.0873 -3.0873 1.2151 1.2151 4.0318 4.0318 5.5528 5.5528 5.8690 5.8690 6.6781 6.6781 8.0617 8.0617 9.1368 9.1368 9.6086 9.6086 9.7077 9.7077 k = 0.1075 0.2565-0.0000 ( 3565 PWs) bands (ev): -33.8774 -33.8774 -33.8555 -33.8555 -15.1948 -15.1948 -15.1176 -15.1176 -14.8445 -14.8445 -14.7769 -14.7769 -14.7548 -14.7548 -14.6998 -14.6998 -3.0695 -3.0695 1.2299 1.2299 3.9613 3.9613 5.5645 5.5645 5.8575 5.8575 6.5944 6.5944 8.0901 8.0901 9.2307 9.2307 9.5468 9.5468 9.7032 9.7032 k = 0.1147 0.2736-0.0000 ( 3571 PWs) bands (ev): -33.8772 -33.8772 -33.8557 -33.8557 -15.1945 -15.1945 -15.1189 -15.1189 -14.8441 -14.8441 -14.7776 -14.7776 -14.7552 -14.7552 -14.7001 -14.7001 -3.0510 -3.0510 1.2448 1.2448 3.8918 3.8918 5.5763 5.5763 5.8459 5.8459 6.5111 6.5111 8.1220 8.1220 9.3244 9.3244 9.4882 9.4882 9.7012 9.7012 k = 0.1219 0.2907-0.0000 ( 3567 PWs) bands (ev): -33.8770 -33.8770 -33.8558 -33.8558 -15.1941 -15.1941 -15.1201 -15.1201 -14.8436 -14.8436 -14.7783 -14.7783 -14.7555 -14.7555 -14.7005 -14.7005 -3.0321 -3.0321 1.2597 1.2597 3.8238 3.8238 5.5882 5.5882 5.8343 5.8343 6.4292 6.4292 8.1568 8.1568 9.4073 9.4073 9.4429 9.4429 9.7018 9.7018 k = 0.1290 0.3078-0.0000 ( 3571 PWs) bands (ev): -33.8768 -33.8768 -33.8559 -33.8559 -15.1937 -15.1937 -15.1214 -15.1214 -14.8431 -14.8431 -14.7791 -14.7791 -14.7558 -14.7558 -14.7009 -14.7009 -3.0128 -3.0128 1.2743 1.2743 3.7576 3.7576 5.6001 5.6001 5.8228 5.8228 6.3493 6.3493 8.1939 8.1939 9.3736 9.3736 9.5158 9.5158 9.7050 9.7050 k = 0.1362 0.3249-0.0000 ( 3575 PWs) bands (ev): -33.8767 -33.8767 -33.8561 -33.8561 -15.1933 -15.1933 -15.1228 -15.1228 -14.8426 -14.8426 -14.7799 -14.7799 -14.7561 -14.7561 -14.7013 -14.7013 -2.9932 -2.9932 1.2885 1.2885 3.6938 3.6938 5.6120 5.6120 5.8116 5.8116 6.2721 6.2721 8.2327 8.2327 9.3236 9.3236 9.6062 9.6062 9.7106 9.7106 k = 0.1434 0.3420-0.0000 ( 3567 PWs) bands (ev): -33.8765 -33.8765 -33.8562 -33.8562 -15.1928 -15.1928 -15.1241 -15.1241 -14.8421 -14.8421 -14.7808 -14.7808 -14.7562 -14.7562 -14.7018 -14.7018 -2.9736 -2.9736 1.3020 1.3020 3.6325 3.6325 5.6237 5.6237 5.8010 5.8010 6.1985 6.1985 8.2726 8.2726 9.2756 9.2756 9.6949 9.6949 9.7188 9.7188 k = 0.1505 0.3591-0.0000 ( 3571 PWs) bands (ev): -33.8762 -33.8762 -33.8563 -33.8563 -15.1923 -15.1923 -15.1255 -15.1255 -14.8415 -14.8415 -14.7817 -14.7817 -14.7564 -14.7564 -14.7022 -14.7022 -2.9540 -2.9540 1.3145 1.3145 3.5742 3.5742 5.6350 5.6350 5.7913 5.7913 6.1288 6.1288 8.3130 8.3130 9.2304 9.2304 9.7293 9.7293 9.7805 9.7805 k = 0.1577 0.3762-0.0000 ( 3567 PWs) bands (ev): -33.8760 -33.8760 -33.8565 -33.8565 -15.1918 -15.1918 -15.1269 -15.1269 -14.8409 -14.8409 -14.7826 -14.7826 -14.7564 -14.7564 -14.7027 -14.7027 -2.9345 -2.9345 1.3259 1.3259 3.5192 3.5192 5.6454 5.6454 5.7829 5.7829 6.0637 6.0637 8.3532 8.3532 9.1879 9.1879 9.7422 9.7422 9.8614 9.8614 k = 0.1649 0.3933-0.0000 ( 3567 PWs) bands (ev): -33.8758 -33.8758 -33.8567 -33.8567 -15.1913 -15.1913 -15.1282 -15.1282 -14.8403 -14.8403 -14.7836 -14.7836 -14.7564 -14.7564 -14.7033 -14.7033 -2.9154 -2.9154 1.3359 1.3359 3.4678 3.4678 5.6544 5.6544 5.7765 5.7765 6.0037 6.0037 8.3924 8.3924 9.1483 9.1483 9.7574 9.7574 9.9351 9.9351 k = 0.1721 0.4104-0.0000 ( 3567 PWs) bands (ev): -33.8756 -33.8756 -33.8568 -33.8568 -15.1907 -15.1907 -15.1296 -15.1296 -14.8396 -14.8396 -14.7846 -14.7846 -14.7564 -14.7564 -14.7038 -14.7038 -2.8967 -2.8967 1.3444 1.3444 3.4202 3.4202 5.6611 5.6611 5.7730 5.7730 5.9492 5.9492 8.4298 8.4298 9.1116 9.1116 9.7746 9.7746 9.9942 9.9942 k = 0.1792 0.4276-0.0000 ( 3567 PWs) bands (ev): -33.8754 -33.8754 -33.8570 -33.8570 -15.1902 -15.1902 -15.1310 -15.1310 -14.8389 -14.8389 -14.7856 -14.7856 -14.7563 -14.7563 -14.7044 -14.7044 -2.8786 -2.8786 1.3510 1.3510 3.3766 3.3766 5.6647 5.6647 5.7731 5.7731 5.9009 5.9009 8.4645 8.4645 9.0779 9.0779 9.7939 9.7939 10.0042 10.0042 k = 0.1864 0.4447-0.0000 ( 3565 PWs) bands (ev): -33.8751 -33.8751 -33.8572 -33.8572 -15.1896 -15.1896 -15.1323 -15.1323 -14.8382 -14.8382 -14.7866 -14.7866 -14.7562 -14.7562 -14.7049 -14.7049 -2.8613 -2.8613 1.3555 1.3555 3.3375 3.3375 5.6647 5.6647 5.7773 5.7773 5.8591 5.8591 8.4954 8.4954 9.0471 9.0471 9.8150 9.8150 9.9628 9.9628 k = 0.1936 0.4618-0.0000 ( 3553 PWs) bands (ev): -33.8749 -33.8749 -33.8574 -33.8574 -15.1889 -15.1889 -15.1335 -15.1335 -14.8374 -14.8374 -14.7875 -14.7875 -14.7559 -14.7559 -14.7055 -14.7055 -2.8448 -2.8448 1.3579 1.3579 3.3028 3.3028 5.6616 5.6616 5.7850 5.7850 5.8243 5.8243 8.5215 8.5215 9.0192 9.0192 9.8377 9.8377 9.9233 9.9233 k = 0.2007 0.4789-0.0000 ( 3549 PWs) bands (ev): -33.8747 -33.8747 -33.8575 -33.8575 -15.1883 -15.1883 -15.1348 -15.1348 -14.8366 -14.8366 -14.7885 -14.7885 -14.7557 -14.7557 -14.7062 -14.7062 -2.8294 -2.8294 1.3578 1.3578 3.2729 3.2729 5.6562 5.6562 5.7911 5.7911 5.8012 5.8012 8.5417 8.5417 8.9943 8.9943 9.8594 9.8594 9.8833 9.8833 k = 0.2079 0.4960-0.0000 ( 3553 PWs) bands (ev): -33.8745 -33.8745 -33.8577 -33.8577 -15.1876 -15.1876 -15.1360 -15.1360 -14.8359 -14.8359 -14.7895 -14.7895 -14.7554 -14.7554 -14.7068 -14.7068 -2.8150 -2.8150 1.3552 1.3552 3.2479 3.2479 5.6498 5.6498 5.7732 5.7732 5.8110 5.8110 8.5549 8.5549 8.9723 8.9723 9.8208 9.8208 9.8631 9.8631 k = 0.2151 0.5131-0.0000 ( 3553 PWs) bands (ev): -33.8742 -33.8742 -33.8579 -33.8579 -15.1869 -15.1869 -15.1372 -15.1372 -14.8351 -14.8351 -14.7904 -14.7904 -14.7551 -14.7551 -14.7075 -14.7075 -2.8019 -2.8019 1.3499 1.3499 3.2280 3.2280 5.6437 5.6437 5.7583 5.7583 5.8258 5.8258 8.5603 8.5603 8.9532 8.9532 9.7605 9.7605 9.8398 9.8398 k = 0.2222 0.5302-0.0000 ( 3553 PWs) bands (ev): -33.8740 -33.8740 -33.8582 -33.8582 -15.1862 -15.1862 -15.1383 -15.1383 -14.8342 -14.8342 -14.7913 -14.7913 -14.7548 -14.7548 -14.7082 -14.7082 -2.7901 -2.7901 1.3420 1.3420 3.2132 3.2132 5.6390 5.6390 5.7490 5.7490 5.8420 5.8420 8.5573 8.5573 8.9369 8.9369 9.6987 9.6987 9.8234 9.8234 k = 0.2294 0.5473-0.0000 ( 3553 PWs) bands (ev): -33.8738 -33.8738 -33.8584 -33.8584 -15.1855 -15.1855 -15.1394 -15.1394 -14.8333 -14.8333 -14.7922 -14.7922 -14.7544 -14.7544 -14.7089 -14.7089 -2.7797 -2.7797 1.3312 1.3312 3.2039 3.2039 5.6363 5.6363 5.7452 5.7452 5.8592 5.8592 8.5458 8.5458 8.9235 8.9235 9.6365 9.6365 9.8138 9.8138 k = 0.2366 0.5644-0.0000 ( 3551 PWs) bands (ev): -33.8735 -33.8735 -33.8586 -33.8586 -15.1847 -15.1847 -15.1404 -15.1404 -14.8325 -14.8325 -14.7930 -14.7930 -14.7540 -14.7540 -14.7096 -14.7096 -2.7707 -2.7707 1.3178 1.3178 3.1999 3.1999 5.6357 5.6357 5.7471 5.7471 5.8772 5.8772 8.5258 8.5258 8.9129 8.9129 9.5742 9.5742 9.8108 9.8108 k = 0.2437 0.5815-0.0000 ( 3549 PWs) bands (ev): -33.8733 -33.8733 -33.8588 -33.8588 -15.1839 -15.1839 -15.1414 -15.1414 -14.8316 -14.8316 -14.7937 -14.7937 -14.7536 -14.7536 -14.7103 -14.7103 -2.7633 -2.7633 1.3016 1.3016 3.2014 3.2014 5.6370 5.6370 5.7550 5.7550 5.8958 5.8958 8.4979 8.4979 8.9051 8.9051 9.5122 9.5122 9.8137 9.8137 k = 0.2509 0.5986-0.0000 ( 3549 PWs) bands (ev): -33.8731 -33.8731 -33.8590 -33.8590 -15.1831 -15.1831 -15.1423 -15.1423 -14.8306 -14.8306 -14.7945 -14.7945 -14.7531 -14.7531 -14.7111 -14.7111 -2.7574 -2.7574 1.2828 1.2828 3.2085 3.2085 5.6396 5.6396 5.7697 5.7697 5.9149 5.9149 8.4630 8.4630 8.9003 8.9003 9.4507 9.4507 9.8216 9.8216 k = 0.2581 0.6157-0.0000 ( 3549 PWs) bands (ev): -33.8729 -33.8729 -33.8592 -33.8592 -15.1823 -15.1823 -15.1432 -15.1432 -14.8297 -14.8297 -14.7951 -14.7951 -14.7527 -14.7527 -14.7119 -14.7119 -2.7531 -2.7531 1.2615 1.2615 3.2211 3.2211 5.6428 5.6428 5.7916 5.7916 5.9344 5.9344 8.4219 8.4219 8.8983 8.8983 9.3897 9.3897 9.8336 9.8336 k = 0.2653 0.6328-0.0000 ( 3553 PWs) bands (ev): -33.8727 -33.8727 -33.8595 -33.8595 -15.1814 -15.1814 -15.1440 -15.1440 -14.8287 -14.8287 -14.7958 -14.7958 -14.7522 -14.7522 -14.7127 -14.7127 -2.7504 -2.7504 1.2379 1.2379 3.2393 3.2393 5.6464 5.6464 5.8209 5.8209 5.9544 5.9544 8.3758 8.3758 8.8992 8.8992 9.3294 9.3294 9.8487 9.8487 k = 0.2724 0.6499-0.0000 ( 3555 PWs) bands (ev): -33.8724 -33.8724 -33.8597 -33.8597 -15.1806 -15.1806 -15.1447 -15.1447 -14.8278 -14.8278 -14.7963 -14.7963 -14.7517 -14.7517 -14.7135 -14.7135 -2.7492 -2.7492 1.2121 1.2121 3.2630 3.2630 5.6503 5.6503 5.8573 5.8573 5.9750 5.9750 8.3256 8.3256 8.9030 8.9030 9.2699 9.2699 9.8660 9.8660 k = 0.2796 0.6670-0.0000 ( 3549 PWs) bands (ev): -33.8722 -33.8722 -33.8599 -33.8599 -15.1797 -15.1797 -15.1453 -15.1453 -14.8268 -14.8268 -14.7968 -14.7968 -14.7512 -14.7512 -14.7143 -14.7143 -2.7496 -2.7496 1.1843 1.1843 3.2923 3.2923 5.6547 5.6547 5.9001 5.9001 5.9964 5.9964 8.2722 8.2722 8.9097 8.9097 9.2114 9.2114 9.8848 9.8848 k = 0.2868 0.6841-0.0000 ( 3553 PWs) bands (ev): -33.8720 -33.8720 -33.8601 -33.8601 -15.1788 -15.1788 -15.1459 -15.1459 -14.8258 -14.8258 -14.7973 -14.7973 -14.7507 -14.7507 -14.7151 -14.7151 -2.7514 -2.7514 1.1548 1.1548 3.3269 3.3269 5.6595 5.6595 5.9479 5.9479 6.0199 6.0199 8.2166 8.2166 8.9191 8.9191 9.1537 9.1537 9.9044 9.9044 k = 0.2939 0.7012-0.0000 ( 3537 PWs) bands (ev): -33.8718 -33.8718 -33.8603 -33.8603 -15.1778 -15.1778 -15.1464 -15.1464 -14.8248 -14.8248 -14.7976 -14.7976 -14.7501 -14.7501 -14.7159 -14.7159 -2.7547 -2.7547 1.1238 1.1238 3.3669 3.3669 5.6649 5.6649 5.9957 5.9957 6.0498 6.0498 8.1593 8.1593 8.9314 8.9314 9.0970 9.0970 9.9244 9.9244 k = 0.2939 0.7012-0.0000 ( 3537 PWs) bands (ev): -33.8718 -33.8718 -33.8603 -33.8603 -15.1778 -15.1778 -15.1464 -15.1464 -14.8248 -14.8248 -14.7976 -14.7976 -14.7501 -14.7501 -14.7159 -14.7159 -2.7547 -2.7547 1.1238 1.1238 3.3669 3.3669 5.6649 5.6649 5.9957 5.9957 6.0498 6.0498 8.1593 8.1593 8.9314 8.9314 9.0970 9.0970 9.9244 9.9244 k = 0.2756 0.7012-0.0000 ( 3541 PWs) bands (ev): -33.8719 -33.8719 -33.8602 -33.8602 -15.1782 -15.1782 -15.1462 -15.1462 -14.8252 -14.8252 -14.7974 -14.7974 -14.7503 -14.7503 -14.7156 -14.7156 -2.7534 -2.7534 1.1360 1.1360 3.3522 3.3522 5.6622 5.6622 5.9342 5.9342 6.0800 6.0800 8.1807 8.1807 8.9257 8.9257 9.1197 9.1197 9.9199 9.9199 k = 0.2572 0.7012-0.0000 ( 3547 PWs) bands (ev): -33.8720 -33.8720 -33.8602 -33.8602 -15.1786 -15.1786 -15.1460 -15.1460 -14.8258 -14.8258 -14.7971 -14.7971 -14.7507 -14.7507 -14.7152 -14.7152 -2.7526 -2.7526 1.1484 1.1484 3.3408 3.3408 5.6577 5.6577 5.8556 5.8556 6.1272 6.1272 8.2002 8.2002 8.9192 8.9192 9.1439 9.1439 9.9229 9.9229 k = 0.2388 0.7012-0.0000 ( 3546 PWs) bands (ev): -33.8721 -33.8721 -33.8600 -33.8600 -15.1791 -15.1791 -15.1457 -15.1457 -14.8264 -14.8264 -14.7966 -14.7966 -14.7510 -14.7510 -14.7148 -14.7148 -2.7521 -2.7521 1.1606 1.1606 3.3328 3.3328 5.6484 5.6484 5.7810 5.7810 6.1738 6.1738 8.2179 8.2179 8.9119 8.9119 9.1680 9.1680 9.9346 9.9346 k = 0.2204 0.7012-0.0000 ( 3550 PWs) bands (ev): -33.8722 -33.8722 -33.8599 -33.8599 -15.1795 -15.1795 -15.1454 -15.1454 -14.8271 -14.8271 -14.7961 -14.7961 -14.7514 -14.7514 -14.7144 -14.7144 -2.7520 -2.7520 1.1725 1.1725 3.3282 3.3282 5.6240 5.6240 5.7226 5.7226 6.2182 6.2182 8.2340 8.2340 8.9039 8.9039 9.1907 9.1907 9.9559 9.9559 k = 0.2021 0.7012-0.0000 ( 3552 PWs) bands (ev): -33.8723 -33.8723 -33.8598 -33.8598 -15.1799 -15.1799 -15.1450 -15.1450 -14.8277 -14.8277 -14.7956 -14.7956 -14.7518 -14.7518 -14.7139 -14.7139 -2.7522 -2.7522 1.1840 1.1840 3.3267 3.3267 5.5718 5.5718 5.6942 5.6942 6.2599 6.2599 8.2485 8.2485 8.8954 8.8954 9.2105 9.2105 9.9874 9.9874 k = 0.1837 0.7012-0.0000 ( 3553 PWs) bands (ev): -33.8725 -33.8725 -33.8597 -33.8597 -15.1804 -15.1804 -15.1447 -15.1447 -14.8284 -14.8284 -14.7950 -14.7950 -14.7522 -14.7522 -14.7135 -14.7135 -2.7525 -2.7525 1.1947 1.1947 3.3281 3.3281 5.5045 5.5045 5.6838 5.6838 6.2986 6.2986 8.2617 8.2617 8.8866 8.8866 9.2270 9.2270 10.0289 10.0289 k = 0.1653 0.7012-0.0000 ( 3554 PWs) bands (ev): -33.8726 -33.8726 -33.8596 -33.8596 -15.1808 -15.1808 -15.1444 -15.1444 -14.8291 -14.8291 -14.7944 -14.7944 -14.7526 -14.7526 -14.7131 -14.7131 -2.7530 -2.7530 1.2046 1.2046 3.3323 3.3323 5.4351 5.4351 5.6793 5.6793 6.3339 6.3339 8.2737 8.2737 8.8776 8.8776 9.2398 9.2398 10.0795 10.0795 k = 0.1470 0.7012-0.0000 ( 3554 PWs) bands (ev): -33.8727 -33.8727 -33.8594 -33.8594 -15.1811 -15.1811 -15.1441 -15.1441 -14.8298 -14.8298 -14.7938 -14.7938 -14.7530 -14.7530 -14.7127 -14.7127 -2.7536 -2.7536 1.2137 1.2137 3.3386 3.3386 5.3680 5.3680 5.6769 5.6769 6.3657 6.3657 8.2847 8.2847 8.8688 8.8688 9.2492 9.2492 10.1376 10.1376 k = 0.1286 0.7012-0.0000 ( 3559 PWs) bands (ev): -33.8728 -33.8728 -33.8593 -33.8593 -15.1815 -15.1815 -15.1439 -15.1439 -14.8303 -14.8303 -14.7932 -14.7932 -14.7534 -14.7534 -14.7123 -14.7123 -2.7542 -2.7542 1.2218 1.2218 3.3466 3.3466 5.3053 5.3053 5.6755 5.6755 6.3938 6.3938 8.2946 8.2946 8.8604 8.8604 9.2557 9.2557 10.2013 10.2013 k = 0.1102 0.7012-0.0000 ( 3557 PWs) bands (ev): -33.8729 -33.8729 -33.8593 -33.8593 -15.1818 -15.1818 -15.1436 -15.1436 -14.8309 -14.8309 -14.7927 -14.7927 -14.7538 -14.7538 -14.7120 -14.7120 -2.7549 -2.7549 1.2288 1.2288 3.3557 3.3557 5.2481 5.2481 5.6747 5.6747 6.4183 6.4183 8.3035 8.3035 8.8526 8.8526 9.2600 9.2600 10.2674 10.2674 k = 0.0919 0.7012-0.0000 ( 3559 PWs) bands (ev): -33.8729 -33.8729 -33.8592 -33.8592 -15.1820 -15.1820 -15.1434 -15.1434 -14.8314 -14.8314 -14.7922 -14.7922 -14.7541 -14.7541 -14.7117 -14.7117 -2.7555 -2.7555 1.2348 1.2348 3.3651 3.3651 5.1976 5.1976 5.6741 5.6741 6.4390 6.4390 8.3113 8.3113 8.8456 8.8456 9.2626 9.2626 10.2939 10.2944 k = 0.0735 0.7012-0.0000 ( 3561 PWs) bands (ev): -33.8730 -33.8730 -33.8591 -33.8591 -15.1823 -15.1823 -15.1432 -15.1432 -14.8318 -14.8318 -14.7918 -14.7918 -14.7544 -14.7544 -14.7115 -14.7115 -2.7560 -2.7560 1.2397 1.2397 3.3741 3.3741 5.1548 5.1548 5.6737 5.6737 6.4559 6.4559 8.3179 8.3179 8.8396 8.8396 9.2641 9.2641 10.3040 10.3040 k = 0.0551 0.7012-0.0000 ( 3565 PWs) bands (ev): -33.8731 -33.8731 -33.8591 -33.8591 -15.1824 -15.1824 -15.1431 -15.1431 -14.8321 -14.8321 -14.7914 -14.7914 -14.7546 -14.7546 -14.7113 -14.7113 -2.7565 -2.7565 1.2435 1.2435 3.3821 3.3821 5.1204 5.1204 5.6735 5.6735 6.4690 6.4690 8.3232 8.3232 8.8348 8.8348 9.2649 9.2649 10.3126 10.3127 k = 0.0367 0.7012-0.0000 ( 3565 PWs) bands (ev): -33.8731 -33.8731 -33.8590 -33.8590 -15.1826 -15.1826 -15.1430 -15.1430 -14.8323 -14.8323 -14.7912 -14.7912 -14.7548 -14.7548 -14.7111 -14.7111 -2.7569 -2.7569 1.2462 1.2462 3.3884 3.3884 5.0952 5.0952 5.6734 5.6734 6.4784 6.4784 8.3270 8.3270 8.8312 8.8312 9.2653 9.2653 10.3192 10.3192 k = 0.0184 0.7012-0.0000 ( 3564 PWs) bands (ev): -33.8731 -33.8731 -33.8590 -33.8590 -15.1826 -15.1826 -15.1429 -15.1429 -14.8325 -14.8325 -14.7910 -14.7910 -14.7549 -14.7549 -14.7110 -14.7110 -2.7571 -2.7571 1.2478 1.2478 3.3923 3.3923 5.0799 5.0799 5.6733 5.6733 6.4840 6.4840 8.3294 8.3294 8.8291 8.8291 9.2654 9.2654 10.3234 10.3234 k = 0.0000 0.7012-0.0000 ( 3570 PWs) bands (ev): -33.8731 -33.8731 -33.8590 -33.8590 -15.1827 -15.1827 -15.1429 -15.1429 -14.8325 -14.8325 -14.7910 -14.7910 -14.7550 -14.7550 -14.7110 -14.7110 -2.7571 -2.7571 1.2483 1.2483 3.3937 3.3937 5.0747 5.0747 5.6733 5.6733 6.4859 6.4859 8.3302 8.3302 8.8283 8.8283 9.2655 9.2655 10.3248 10.3248 k = 0.0000 0.7012-0.0000 ( 3570 PWs) bands (ev): -33.8731 -33.8731 -33.8590 -33.8590 -15.1827 -15.1827 -15.1429 -15.1429 -14.8325 -14.8325 -14.7910 -14.7910 -14.7550 -14.7550 -14.7110 -14.7110 -2.7571 -2.7571 1.2483 1.2483 3.3937 3.3937 5.0747 5.0747 5.6733 5.6733 6.4859 6.4859 8.3302 8.3302 8.8283 8.8283 9.2655 9.2655 10.3248 10.3248 k = 0.0000 0.7012 0.0183 ( 3564 PWs) bands (ev): -33.8731 -33.8731 -33.8590 -33.8590 -15.1827 -15.1827 -15.1429 -15.1429 -14.8325 -14.8325 -14.7910 -14.7910 -14.7550 -14.7550 -14.7111 -14.7111 -2.7559 -2.7559 1.2474 1.2474 3.3949 3.3949 5.0758 5.0758 5.6649 5.6649 6.4850 6.4850 8.3402 8.3402 8.8240 8.8240 9.2648 9.2648 10.3232 10.3232 k = 0.0000 0.7012 0.0367 ( 3560 PWs) bands (ev): -33.8731 -33.8731 -33.8590 -33.8590 -15.1826 -15.1826 -15.1430 -15.1430 -14.8326 -14.8326 -14.7910 -14.7910 -14.7551 -14.7551 -14.7112 -14.7112 -2.7524 -2.7524 1.2446 1.2446 3.3983 3.3983 5.0789 5.0789 5.6402 5.6402 6.4821 6.4821 8.3698 8.3698 8.8110 8.8110 9.2628 9.2628 10.3185 10.3185 k = 0.0000 0.7012 0.0550 ( 3560 PWs) bands (ev): -33.8730 -33.8730 -33.8590 -33.8590 -15.1826 -15.1826 -15.1431 -15.1431 -14.8326 -14.8326 -14.7910 -14.7910 -14.7553 -14.7553 -14.7115 -14.7115 -2.7464 -2.7464 1.2399 1.2399 3.4041 3.4041 5.0842 5.0842 5.6007 5.6007 6.4774 6.4774 8.4170 8.4170 8.7897 8.7897 9.2598 9.2598 10.3109 10.3109 k = 0.0000 0.7012 0.0733 ( 3554 PWs) bands (ev): -33.8730 -33.8730 -33.8590 -33.8590 -15.1826 -15.1826 -15.1433 -15.1433 -14.8327 -14.8327 -14.7910 -14.7910 -14.7556 -14.7556 -14.7119 -14.7119 -2.7381 -2.7381 1.2332 1.2332 3.4121 3.4121 5.0914 5.0914 5.5485 5.5485 6.4708 6.4708 8.4793 8.4793 8.7608 8.7608 9.2559 9.2559 10.3010 10.3010 k = 0.0000 0.7012 0.0916 ( 3552 PWs) bands (ev): -33.8729 -33.8729 -33.8590 -33.8590 -15.1825 -15.1825 -15.1435 -15.1435 -14.8328 -14.8328 -14.7911 -14.7911 -14.7560 -14.7560 -14.7125 -14.7125 -2.7273 -2.7273 1.2243 1.2243 3.4224 3.4224 5.1004 5.1004 5.4861 5.4861 6.4623 6.4623 8.5528 8.5528 8.7253 8.7253 9.2518 9.2518 10.2894 10.2894 k = 0.0000 0.7012 0.1100 ( 3554 PWs) bands (ev): -33.8727 -33.8727 -33.8590 -33.8590 -15.1825 -15.1825 -15.1437 -15.1437 -14.8329 -14.8329 -14.7912 -14.7912 -14.7564 -14.7564 -14.7131 -14.7131 -2.7142 -2.7142 1.2132 1.2132 3.4349 3.4349 5.1110 5.1110 5.4162 5.4162 6.4518 6.4518 8.6286 8.6286 8.6891 8.6891 9.2486 9.2486 10.2764 10.2764 k = 0.0000 0.7012 0.1283 ( 3552 PWs) bands (ev): -33.8726 -33.8726 -33.8590 -33.8590 -15.1824 -15.1824 -15.1440 -15.1440 -14.8330 -14.8330 -14.7912 -14.7912 -14.7570 -14.7570 -14.7139 -14.7139 -2.6987 -2.6987 1.1997 1.1997 3.4495 3.4495 5.1225 5.1225 5.3418 5.3418 6.4393 6.4393 8.6255 8.6255 8.7295 8.7295 9.2483 9.2483 10.2628 10.2628 k = 0.0000 0.7012 0.1466 ( 3548 PWs) bands (ev): -33.8724 -33.8724 -33.8590 -33.8590 -15.1823 -15.1823 -15.1444 -15.1444 -14.8332 -14.8332 -14.7913 -14.7913 -14.7575 -14.7575 -14.7147 -14.7147 -2.6809 -2.6809 1.1836 1.1836 3.4663 3.4663 5.1325 5.1325 5.2674 5.2674 6.4247 6.4247 8.5748 8.5748 8.8096 8.8096 9.2544 9.2544 10.2490 10.2490 k = 0.0000 0.7012 0.1649 ( 3552 PWs) bands (ev): -33.8723 -33.8723 -33.8590 -33.8590 -15.1822 -15.1822 -15.1448 -15.1448 -14.8334 -14.8334 -14.7915 -14.7915 -14.7582 -14.7582 -14.7156 -14.7156 -2.6606 -2.6606 1.1647 1.1647 3.4851 3.4851 5.1279 5.1279 5.2078 5.2078 6.4080 6.4080 8.5179 8.5179 8.8806 8.8806 9.2729 9.2729 10.2355 10.2355 k = 0.0000 0.7012 0.1833 ( 3556 PWs) bands (ev): -33.8721 -33.8721 -33.8590 -33.8590 -15.1822 -15.1822 -15.1453 -15.1453 -14.8335 -14.8335 -14.7917 -14.7917 -14.7589 -14.7589 -14.7167 -14.7167 -2.6381 -2.6381 1.1427 1.1427 3.5058 3.5058 5.0775 5.0775 5.1959 5.1959 6.3891 6.3891 8.4574 8.4574 8.9315 8.9315 9.3109 9.3109 10.2226 10.2226 k = 0.0000 0.7012 0.2016 ( 3556 PWs) bands (ev): -33.8719 -33.8719 -33.8590 -33.8590 -15.1821 -15.1821 -15.1458 -15.1458 -14.8337 -14.8337 -14.7918 -14.7918 -14.7597 -14.7597 -14.7178 -14.7178 -2.6131 -2.6131 1.1175 1.1175 3.5283 3.5283 5.0057 5.0057 5.2085 5.2085 6.3679 6.3679 8.3943 8.3943 8.9577 8.9577 9.3707 9.3707 10.2109 10.2109 k = 0.0000 0.7012 0.2199 ( 3558 PWs) bands (ev): -33.8717 -33.8717 -33.8591 -33.8591 -15.1820 -15.1820 -15.1463 -15.1463 -14.8339 -14.8339 -14.7921 -14.7921 -14.7604 -14.7604 -14.7190 -14.7190 -2.5858 -2.5858 1.0888 1.0888 3.5525 3.5525 4.9325 4.9325 5.2266 5.2266 6.3445 6.3445 8.3294 8.3294 8.9629 8.9629 9.4469 9.4469 10.2005 10.2005 k = 0.0000 0.7012 0.2382 ( 3560 PWs) bands (ev): -33.8714 -33.8714 -33.8591 -33.8591 -15.1819 -15.1819 -15.1470 -15.1470 -14.8341 -14.8341 -14.7923 -14.7923 -14.7612 -14.7612 -14.7203 -14.7203 -2.5561 -2.5561 1.0565 1.0565 3.5783 3.5783 4.8624 4.8624 5.2467 5.2467 6.3189 6.3189 8.2632 8.2632 8.9537 8.9537 9.5316 9.5316 10.1918 10.1918 k = 0.0000 0.7012 0.2566 ( 3560 PWs) bands (ev): -33.8712 -33.8712 -33.8591 -33.8591 -15.1818 -15.1818 -15.1476 -15.1476 -14.8343 -14.8343 -14.7926 -14.7926 -14.7620 -14.7620 -14.7216 -14.7216 -2.5241 -2.5241 1.0203 1.0203 3.6054 3.6054 4.7970 4.7970 5.2677 5.2677 6.2913 6.2913 8.1965 8.1965 8.9352 8.9352 9.6184 9.6184 10.1852 10.1852 k = 0.0000 0.7012 0.2749 ( 3554 PWs) bands (ev): -33.8709 -33.8709 -33.8591 -33.8591 -15.1816 -15.1816 -15.1483 -15.1483 -14.8344 -14.8344 -14.7930 -14.7930 -14.7628 -14.7628 -14.7229 -14.7229 -2.4898 -2.4898 0.9801 0.9801 3.6337 3.6337 4.7376 4.7376 5.2889 5.2889 6.2617 6.2617 8.1297 8.1297 8.9101 8.9101 9.7038 9.7038 10.1809 10.1809 k = 0.0000 0.7012 0.2932 ( 3558 PWs) bands (ev): -33.8706 -33.8706 -33.8592 -33.8592 -15.1815 -15.1815 -15.1490 -15.1490 -14.8346 -14.8346 -14.7934 -14.7934 -14.7635 -14.7635 -14.7243 -14.7243 -2.4532 -2.4532 0.9358 0.9358 3.6629 3.6629 4.6850 4.6850 5.3096 5.3096 6.2305 6.2305 8.0632 8.0632 8.8804 8.8804 9.7856 9.7856 10.1792 10.1792 k = 0.0000 0.7012 0.3115 ( 3558 PWs) bands (ev): -33.8703 -33.8703 -33.8592 -33.8592 -15.1814 -15.1814 -15.1498 -15.1498 -14.8347 -14.8347 -14.7939 -14.7939 -14.7643 -14.7643 -14.7258 -14.7258 -2.4142 -2.4142 0.8873 0.8873 3.6928 3.6928 4.6399 4.6399 5.3292 5.3292 6.1981 6.1981 7.9975 7.9975 8.8468 8.8468 9.8627 9.8627 10.1803 10.1803 k = 0.0000 0.7012 0.3299 ( 3558 PWs) bands (ev): -33.8700 -33.8700 -33.8593 -33.8593 -15.1812 -15.1812 -15.1506 -15.1506 -14.8348 -14.8348 -14.7945 -14.7945 -14.7649 -14.7649 -14.7272 -14.7272 -2.3730 -2.3730 0.8346 0.8346 3.7230 3.7230 4.6029 4.6029 5.3469 5.3469 6.1650 6.1650 7.9330 7.9330 8.8101 8.8101 9.9346 9.9346 10.1844 10.1844 k = 0.0000 0.7012 0.3482 ( 3554 PWs) bands (ev): -33.8697 -33.8697 -33.8593 -33.8593 -15.1811 -15.1811 -15.1515 -15.1515 -14.8349 -14.8349 -14.7951 -14.7951 -14.7655 -14.7655 -14.7287 -14.7287 -2.3294 -2.3294 0.7778 0.7778 3.7534 3.7534 4.5744 4.5744 5.3617 5.3617 6.1317 6.1317 7.8701 7.8701 8.7707 8.7707 10.0012 10.0012 10.1917 10.1917 k = 0.0000 0.7012 0.3665 ( 3558 PWs) bands (ev): -33.8694 -33.8694 -33.8594 -33.8594 -15.1809 -15.1809 -15.1524 -15.1524 -14.8349 -14.8349 -14.7959 -14.7959 -14.7660 -14.7660 -14.7302 -14.7302 -2.2836 -2.2836 0.7170 0.7170 3.7837 3.7837 4.5548 4.5548 5.3728 5.3728 6.0991 6.0991 7.8092 7.8092 8.7288 8.7288 10.0629 10.0629 10.2024 10.2024 k = 0.0000 0.7012 0.3849 ( 3560 PWs) bands (ev): -33.8690 -33.8690 -33.8594 -33.8594 -15.1807 -15.1807 -15.1534 -15.1534 -14.8349 -14.8349 -14.7968 -14.7968 -14.7664 -14.7664 -14.7317 -14.7317 -2.2355 -2.2355 0.6523 0.6523 3.8137 3.8137 4.5442 4.5442 5.3788 5.3788 6.0680 6.0680 7.7508 7.7508 8.6848 8.6848 10.1198 10.1198 10.2165 10.2165 k = 0.0000 0.7012 0.4032 ( 3562 PWs) bands (ev): -33.8687 -33.8687 -33.8595 -33.8595 -15.1805 -15.1805 -15.1544 -15.1544 -14.8349 -14.8349 -14.7977 -14.7977 -14.7668 -14.7668 -14.7333 -14.7333 -2.1852 -2.1852 0.5839 0.5839 3.8433 3.8433 4.5426 4.5426 5.3789 5.3789 6.0391 6.0391 7.6952 7.6952 8.6388 8.6388 10.1726 10.1726 10.2341 10.2341 k = 0.0000 0.7012 0.4215 ( 3566 PWs) bands (ev): -33.8684 -33.8684 -33.8596 -33.8596 -15.1803 -15.1803 -15.1554 -15.1554 -14.8348 -14.8348 -14.7988 -14.7988 -14.7670 -14.7670 -14.7348 -14.7348 -2.1327 -2.1327 0.5121 0.5121 3.8726 3.8726 4.5496 4.5496 5.3719 5.3719 6.0129 6.0129 7.6430 7.6430 8.5909 8.5909 10.2213 10.2213 10.2553 10.2553 k = 0.0000 0.7012 0.4398 ( 3568 PWs) bands (ev): -33.8680 -33.8680 -33.8597 -33.8597 -15.1801 -15.1801 -15.1564 -15.1564 -14.8346 -14.8346 -14.7999 -14.7999 -14.7671 -14.7671 -14.7363 -14.7363 -2.0780 -2.0780 0.4373 0.4373 3.9018 3.9018 4.5650 4.5650 5.3574 5.3574 5.9898 5.9898 7.5947 7.5947 8.5415 8.5415 10.2658 10.2658 10.2808 10.2808 k = 0.0000 0.7012 0.4582 ( 3566 PWs) bands (ev): -33.8677 -33.8677 -33.8598 -33.8598 -15.1799 -15.1799 -15.1574 -15.1574 -14.8344 -14.8344 -14.8011 -14.8011 -14.7671 -14.7671 -14.7378 -14.7378 -2.0211 -2.0211 0.3596 0.3596 3.9310 3.9310 4.5880 4.5880 5.3350 5.3350 5.9695 5.9695 7.5510 7.5510 8.4905 8.4905 10.3024 10.3024 10.3145 10.3145 k = 0.0000 0.7012 0.4765 ( 3562 PWs) bands (ev): -33.8673 -33.8673 -33.8599 -33.8599 -15.1796 -15.1796 -15.1585 -15.1585 -14.8341 -14.8341 -14.8024 -14.8024 -14.7670 -14.7670 -14.7393 -14.7393 -1.9621 -1.9621 0.2794 0.2794 3.9608 3.9608 4.6181 4.6181 5.3052 5.3052 5.9511 5.9511 7.5126 7.5126 8.4382 8.4382 10.3342 10.3342 10.3533 10.3533 k = 0.0000 0.7012 0.4948 ( 3562 PWs) bands (ev): -33.8669 -33.8669 -33.8600 -33.8600 -15.1793 -15.1793 -15.1596 -15.1596 -14.8338 -14.8338 -14.8038 -14.8038 -14.7668 -14.7668 -14.7408 -14.7408 -1.9010 -1.9010 0.1971 0.1971 3.9914 3.9914 4.6543 4.6543 5.2686 5.2686 5.9335 5.9335 7.4800 7.4800 8.3848 8.3848 10.3673 10.3673 10.3912 10.3912 k = 0.0000 0.7012 0.5131 ( 3554 PWs) bands (ev): -33.8666 -33.8666 -33.8602 -33.8602 -15.1790 -15.1790 -15.1606 -15.1606 -14.8333 -14.8333 -14.8052 -14.8052 -14.7664 -14.7664 -14.7422 -14.7422 -1.8377 -1.8377 0.1130 0.1130 4.0232 4.0232 4.6960 4.6960 5.2263 5.2263 5.9152 5.9152 7.4540 7.4540 8.3303 8.3303 10.4023 10.4023 10.4273 10.4273 k = 0.0000 0.7012 0.5315 ( 3556 PWs) bands (ev): -33.8662 -33.8662 -33.8603 -33.8603 -15.1786 -15.1786 -15.1617 -15.1617 -14.8329 -14.8329 -14.8067 -14.8067 -14.7661 -14.7661 -14.7436 -14.7436 -1.7725 -1.7725 0.0274 0.0274 4.0565 4.0565 4.7423 4.7423 5.1793 5.1793 5.8949 5.8949 7.4349 7.4349 8.2749 8.2749 10.4389 10.4389 10.4618 10.4618 k = 0.0000 0.7012 0.5498 ( 3552 PWs) bands (ev): -33.8659 -33.8659 -33.8605 -33.8605 -15.1783 -15.1783 -15.1627 -15.1627 -14.8323 -14.8323 -14.8081 -14.8081 -14.7656 -14.7656 -14.7450 -14.7450 -1.7052 -1.7052 -0.0594 -0.0594 4.0917 4.0917 4.7925 4.7925 5.1286 5.1286 5.8714 5.8714 7.4233 7.4233 8.2189 8.2189 10.4764 10.4764 10.4948 10.4948 k = 0.0000 0.7012 0.5681 ( 3556 PWs) bands (ev): -33.8655 -33.8655 -33.8606 -33.8606 -15.1779 -15.1779 -15.1638 -15.1638 -14.8317 -14.8317 -14.8097 -14.8097 -14.7651 -14.7651 -14.7464 -14.7464 -1.6360 -1.6360 -0.1471 -0.1471 4.1287 4.1287 4.8457 4.8457 5.0755 5.0755 5.8438 5.8438 7.4193 7.4193 8.1623 8.1623 10.5140 10.5140 10.5267 10.5267 k = 0.0000 0.7012 0.5864 ( 3558 PWs) bands (ev): -33.8652 -33.8652 -33.8608 -33.8608 -15.1774 -15.1774 -15.1649 -15.1649 -14.8310 -14.8310 -14.8112 -14.8112 -14.7645 -14.7645 -14.7478 -14.7478 -1.5649 -1.5649 -0.2354 -0.2354 4.1679 4.1679 4.9003 4.9003 5.0217 5.0217 5.8116 5.8116 7.4229 7.4229 8.1054 8.1054 10.5498 10.5498 10.5585 10.5585 k = 0.0000 0.7012 0.6048 ( 3556 PWs) bands (ev): -33.8648 -33.8648 -33.8610 -33.8610 -15.1769 -15.1769 -15.1659 -15.1659 -14.8302 -14.8302 -14.8127 -14.8127 -14.7638 -14.7638 -14.7491 -14.7491 -1.4919 -1.4919 -0.3240 -0.3240 4.2092 4.2092 4.9387 4.9387 4.9849 4.9849 5.7746 5.7746 7.4338 7.4338 8.0485 8.0485 10.5814 10.5814 10.5918 10.5918 k = 0.0000 0.7012 0.6231 ( 3552 PWs) bands (ev): -33.8645 -33.8645 -33.8612 -33.8612 -15.1764 -15.1764 -15.1669 -15.1669 -14.8293 -14.8293 -14.8142 -14.8142 -14.7630 -14.7630 -14.7504 -14.7504 -1.4171 -1.4171 -0.4127 -0.4127 4.2526 4.2526 4.8972 4.8972 5.0291 5.0291 5.7328 5.7328 7.4517 7.4517 7.9917 7.9917 10.6094 10.6094 10.6249 10.6249 k = 0.0000 0.7012 0.6414 ( 3550 PWs) bands (ev): -33.8642 -33.8642 -33.8614 -33.8614 -15.1758 -15.1758 -15.1679 -15.1679 -14.8284 -14.8284 -14.8157 -14.8157 -14.7622 -14.7622 -14.7517 -14.7517 -1.3406 -1.3406 -0.5012 -0.5012 4.2982 4.2982 4.8404 4.8404 5.0895 5.0895 5.6866 5.6866 7.4759 7.4759 7.9353 7.9353 10.6353 10.6353 10.6551 10.6551 k = 0.0000 0.7012 0.6598 ( 3554 PWs) bands (ev): -33.8639 -33.8639 -33.8616 -33.8616 -15.1752 -15.1752 -15.1689 -15.1689 -14.8274 -14.8274 -14.8172 -14.8172 -14.7614 -14.7614 -14.7529 -14.7529 -1.2625 -1.2625 -0.5894 -0.5894 4.3457 4.3457 4.7823 4.7823 5.1521 5.1521 5.6362 5.6362 7.5060 7.5060 7.8796 7.8796 10.6591 10.6591 10.6809 10.6809 k = 0.0000 0.7012 0.6781 ( 3556 PWs) bands (ev): -33.8636 -33.8636 -33.8619 -33.8619 -15.1746 -15.1746 -15.1699 -15.1699 -14.8263 -14.8263 -14.8187 -14.8187 -14.7605 -14.7605 -14.7541 -14.7541 -1.1828 -1.1828 -0.6771 -0.6771 4.3952 4.3952 4.7242 4.7242 5.2155 5.2155 5.5824 5.5824 7.5411 7.5411 7.8249 7.8249 10.6804 10.6804 10.7011 10.7011 k = 0.0000 0.7012 0.6964 ( 3556 PWs) bands (ev): -33.8633 -33.8633 -33.8621 -33.8621 -15.1739 -15.1739 -15.1707 -15.1707 -14.8252 -14.8252 -14.8201 -14.8201 -14.7595 -14.7595 -14.7553 -14.7553 -1.1015 -1.1015 -0.7640 -0.7640 4.4465 4.4465 4.6665 4.6665 5.2792 5.2792 5.5255 5.5255 7.5807 7.5807 7.7716 7.7716 10.6984 10.6984 10.7147 10.7147 k = 0.0000 0.7012 0.7147 ( 3556 PWs) bands (ev): -33.8630 -33.8630 -33.8624 -33.8624 -15.1732 -15.1732 -15.1716 -15.1716 -14.8240 -14.8240 -14.8214 -14.8214 -14.7585 -14.7585 -14.7564 -14.7564 -1.0189 -1.0189 -0.8500 -0.8500 4.4995 4.4995 4.6097 4.6097 5.3425 5.3425 5.4662 5.4662 7.6241 7.6241 7.7201 7.7201 10.7120 10.7120 10.7210 10.7210 k = 0.0000 0.7012 0.7331 ( 3564 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1724 -15.1724 -15.1724 -15.1724 -14.8227 -14.8227 -14.8227 -14.8227 -14.7575 -14.7575 -14.7575 -14.7575 -0.9351 -0.9351 -0.9351 -0.9351 4.5539 4.5539 4.5539 4.5539 5.4050 5.4050 5.4050 5.4050 7.6707 7.6707 7.6707 7.6707 10.7199 10.7199 10.7199 10.7199 k = 0.0000 0.7012 0.7331 ( 3564 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1724 -15.1724 -15.1724 -15.1724 -14.8227 -14.8227 -14.8227 -14.8227 -14.7575 -14.7575 -14.7575 -14.7575 -0.9351 -0.9351 -0.9351 -0.9351 4.5539 4.5539 4.5539 4.5539 5.4050 5.4050 5.4050 5.4050 7.6707 7.6707 7.6707 7.6707 10.7199 10.7199 10.7199 10.7199 k = 0.0184 0.7012 0.7331 ( 3558 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1726 -15.1726 -15.1722 -15.1722 -14.8242 -14.8242 -14.8212 -14.8212 -14.7588 -14.7588 -14.7562 -14.7562 -0.9351 -0.9351 -0.9348 -0.9348 4.5523 4.5523 4.5544 4.5544 5.4037 5.4037 5.4044 5.4044 7.6734 7.6734 7.6747 7.6747 10.7203 10.7203 10.7205 10.7205 k = 0.0367 0.7012 0.7331 ( 3554 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1728 -15.1728 -15.1721 -15.1721 -14.8256 -14.8256 -14.8198 -14.8198 -14.7601 -14.7601 -14.7549 -14.7549 -0.9348 -0.9348 -0.9344 -0.9344 4.5494 4.5494 4.5536 4.5536 5.4004 5.4004 5.4019 5.4019 7.6826 7.6826 7.6853 7.6853 10.7215 10.7215 10.7219 10.7219 k = 0.0551 0.7012 0.7331 ( 3552 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1730 -15.1730 -15.1720 -15.1720 -14.8270 -14.8270 -14.8183 -14.8183 -14.7613 -14.7613 -14.7536 -14.7536 -0.9344 -0.9344 -0.9337 -0.9337 4.5454 4.5454 4.5516 4.5516 5.3955 5.3955 5.3978 5.3978 7.6981 7.6981 7.7021 7.7021 10.7225 10.7225 10.7231 10.7231 k = 0.0735 0.7012 0.7331 ( 3554 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1732 -15.1732 -15.1719 -15.1719 -14.8284 -14.8284 -14.8169 -14.8169 -14.7626 -14.7626 -14.7523 -14.7523 -0.9337 -0.9337 -0.9329 -0.9329 4.5401 4.5401 4.5483 4.5483 5.3892 5.3892 5.3923 5.3923 7.7194 7.7194 7.7246 7.7246 10.7208 10.7208 10.7211 10.7211 k = 0.0919 0.7012 0.7331 ( 3558 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1734 -15.1734 -15.1718 -15.1718 -14.8297 -14.8297 -14.8155 -14.8155 -14.7637 -14.7637 -14.7511 -14.7511 -0.9328 -0.9328 -0.9318 -0.9318 4.5336 4.5336 4.5436 4.5436 5.3820 5.3820 5.3859 5.3859 7.7459 7.7459 7.7522 7.7522 10.7058 10.7058 10.7087 10.7087 k = 0.1102 0.7012 0.7331 ( 3560 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1736 -15.1736 -15.1717 -15.1717 -14.8309 -14.8309 -14.8142 -14.8142 -14.7648 -14.7648 -14.7499 -14.7499 -0.9318 -0.9318 -0.9306 -0.9306 4.5258 4.5258 4.5377 4.5377 5.3744 5.3744 5.3791 5.3791 7.7767 7.7767 7.7840 7.7840 10.6673 10.6673 10.6767 10.6767 k = 0.1286 0.7012 0.7331 ( 3560 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1738 -15.1738 -15.1717 -15.1717 -14.8321 -14.8321 -14.8130 -14.8130 -14.7658 -14.7658 -14.7487 -14.7487 -0.9306 -0.9306 -0.9292 -0.9292 4.5168 4.5168 4.5303 4.5303 5.3669 5.3669 5.3723 5.3723 7.8110 7.8110 7.8192 7.8192 10.6140 10.6140 10.6282 10.6282 k = 0.1470 0.7012 0.7331 ( 3560 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1740 -15.1740 -15.1716 -15.1716 -14.8331 -14.8331 -14.8118 -14.8118 -14.7667 -14.7667 -14.7477 -14.7477 -0.9294 -0.9294 -0.9278 -0.9278 4.5066 4.5066 4.5216 4.5216 5.3600 5.3600 5.3661 5.3661 7.8477 7.8477 7.8567 7.8567 10.5550 10.5550 10.5721 10.5721 k = 0.1653 0.7012 0.7331 ( 3568 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1742 -15.1742 -15.1716 -15.1716 -14.8341 -14.8341 -14.8109 -14.8109 -14.7674 -14.7674 -14.7467 -14.7467 -0.9280 -0.9280 -0.9263 -0.9263 4.4953 4.4953 4.5116 4.5116 5.3541 5.3541 5.3609 5.3609 7.8857 7.8857 7.8954 7.8954 10.4941 10.4941 10.5131 10.5131 k = 0.1837 0.7012 0.7331 ( 3562 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1744 -15.1744 -15.1716 -15.1716 -14.8350 -14.8350 -14.8101 -14.8101 -14.7680 -14.7680 -14.7458 -14.7458 -0.9266 -0.9266 -0.9248 -0.9248 4.4830 4.4830 4.5005 4.5005 5.3498 5.3498 5.3571 5.3571 7.9240 7.9240 7.9342 7.9342 10.4338 10.4338 10.4541 10.4541 k = 0.2021 0.7012 0.7331 ( 3562 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1746 -15.1746 -15.1716 -15.1716 -14.8357 -14.8357 -14.8094 -14.8094 -14.7684 -14.7684 -14.7449 -14.7449 -0.9253 -0.9253 -0.9233 -0.9233 4.4698 4.4698 4.4883 4.4883 5.3471 5.3471 5.3549 5.3549 7.9612 7.9612 7.9719 7.9719 10.3758 10.3758 10.3971 10.3971 k = 0.2204 0.7012 0.7331 ( 3564 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1747 -15.1747 -15.1717 -15.1717 -14.8364 -14.8364 -14.8090 -14.8090 -14.7686 -14.7686 -14.7442 -14.7442 -0.9239 -0.9239 -0.9218 -0.9218 4.4561 4.4561 4.4753 4.4753 5.3465 5.3465 5.3545 5.3545 7.9963 7.9963 8.0073 8.0073 10.3216 10.3216 10.3435 10.3435 k = 0.2388 0.7012 0.7331 ( 3570 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1749 -15.1749 -15.1717 -15.1717 -14.8369 -14.8369 -14.8087 -14.8087 -14.7687 -14.7687 -14.7435 -14.7435 -0.9227 -0.9227 -0.9205 -0.9205 4.4421 4.4421 4.4617 4.4617 5.3479 5.3479 5.3562 5.3562 8.0280 8.0280 8.0392 8.0392 10.2724 10.2724 10.2948 10.2948 k = 0.2572 0.7012 0.7331 ( 3570 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1750 -15.1750 -15.1718 -15.1718 -14.8373 -14.8373 -14.8086 -14.8086 -14.7687 -14.7687 -14.7430 -14.7430 -0.9217 -0.9217 -0.9194 -0.9194 4.4280 4.4280 4.4479 4.4479 5.3515 5.3515 5.3598 5.3598 8.0554 8.0554 8.0666 8.0666 10.2293 10.2293 10.2518 10.2518 k = 0.2756 0.7012 0.7331 ( 3572 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1751 -15.1751 -15.1718 -15.1718 -14.8376 -14.8376 -14.8086 -14.8086 -14.7684 -14.7684 -14.7425 -14.7425 -0.9208 -0.9208 -0.9185 -0.9185 4.4141 4.4141 4.4341 4.4341 5.3572 5.3572 5.3655 5.3655 8.0773 8.0773 8.0886 8.0886 10.1931 10.1931 10.2156 10.2156 k = 0.2939 0.7012 0.7331 ( 3576 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1751 -15.1751 -15.1719 -15.1719 -14.8378 -14.8378 -14.8088 -14.8088 -14.7681 -14.7681 -14.7422 -14.7422 -0.9201 -0.9201 -0.9178 -0.9178 4.4008 4.4008 4.4207 4.4207 5.3649 5.3649 5.3731 5.3731 8.0932 8.0932 8.1043 8.1043 10.1643 10.1643 10.1866 10.1866 k = 0.2939 0.7012 0.7331 ( 3576 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1751 -15.1751 -15.1719 -15.1719 -14.8378 -14.8378 -14.8088 -14.8088 -14.7681 -14.7681 -14.7422 -14.7422 -0.9201 -0.9201 -0.9178 -0.9178 4.4008 4.4008 4.4207 4.4207 5.3649 5.3649 5.3731 5.3731 8.0932 8.0932 8.1043 8.1043 10.1643 10.1643 10.1866 10.1866 k = 0.2868 0.6841 0.7331 ( 3576 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1750 -15.1750 -15.1717 -15.1717 -14.8375 -14.8375 -14.8081 -14.8081 -14.7692 -14.7692 -14.7429 -14.7429 -0.9217 -0.9217 -0.9194 -0.9194 4.4343 4.4343 4.4546 4.4546 5.3436 5.3436 5.3521 5.3521 8.0613 8.0613 8.0728 8.0728 10.2264 10.2264 10.2495 10.2495 k = 0.2796 0.6670 0.7331 ( 3580 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1749 -15.1749 -15.1716 -15.1716 -14.8371 -14.8371 -14.8074 -14.8074 -14.7702 -14.7702 -14.7438 -14.7438 -0.9236 -0.9236 -0.9214 -0.9214 4.4673 4.4673 4.4878 4.4878 5.3252 5.3252 5.3338 5.3338 8.0313 8.0313 8.0432 8.0432 10.2798 10.2798 10.3039 10.3039 k = 0.2724 0.6499 0.7331 ( 3576 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1748 -15.1748 -15.1713 -15.1713 -14.8367 -14.8367 -14.8067 -14.8067 -14.7712 -14.7712 -14.7446 -14.7446 -0.9259 -0.9259 -0.9238 -0.9238 4.4994 4.4994 4.5201 4.5201 5.3098 5.3098 5.3183 5.3183 8.0031 8.0031 8.0155 8.0155 10.3181 10.3181 10.3432 10.3432 k = 0.2653 0.6328 0.7331 ( 3580 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1746 -15.1746 -15.1711 -15.1711 -14.8362 -14.8362 -14.8060 -14.8060 -14.7722 -14.7722 -14.7454 -14.7454 -0.9287 -0.9287 -0.9266 -0.9266 4.5306 4.5306 4.5512 4.5512 5.2974 5.2974 5.3055 5.3055 7.9764 7.9764 7.9894 7.9894 10.3322 10.3322 10.3573 10.3573 k = 0.2581 0.6157 0.7331 ( 3588 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1745 -15.1745 -15.1709 -15.1709 -14.8357 -14.8357 -14.8053 -14.8053 -14.7732 -14.7732 -14.7463 -14.7463 -0.9318 -0.9318 -0.9299 -0.9299 4.5607 4.5607 4.5810 4.5810 5.2881 5.2881 5.2956 5.2956 7.9510 7.9510 7.9645 7.9645 10.3172 10.3172 10.3406 10.3406 k = 0.2509 0.5986 0.7331 ( 3588 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1743 -15.1743 -15.1707 -15.1707 -14.8350 -14.8350 -14.8045 -14.8045 -14.7741 -14.7741 -14.7472 -14.7472 -0.9354 -0.9354 -0.9336 -0.9336 4.5895 4.5895 4.6092 4.6092 5.2821 5.2821 5.2887 5.2887 7.9265 7.9265 7.9407 7.9407 10.2795 10.2795 10.3003 10.3003 k = 0.2437 0.5815 0.7331 ( 3584 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1741 -15.1741 -15.1704 -15.1704 -14.8343 -14.8343 -14.8038 -14.8038 -14.7750 -14.7750 -14.7480 -14.7480 -0.9393 -0.9393 -0.9376 -0.9376 4.6168 4.6168 4.6357 4.6357 5.2793 5.2793 5.2848 5.2848 7.9026 7.9026 7.9175 7.9175 10.2304 10.2304 10.2487 10.2487 k = 0.2366 0.5644 0.7331 ( 3576 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1738 -15.1738 -15.1702 -15.1702 -14.8336 -14.8336 -14.8030 -14.8030 -14.7758 -14.7758 -14.7489 -14.7489 -0.9437 -0.9437 -0.9421 -0.9421 4.6425 4.6425 4.6603 4.6603 5.2799 5.2799 5.2840 5.2840 7.8791 7.8791 7.8946 7.8946 10.1779 10.1779 10.1944 10.1944 k = 0.2294 0.5473 0.7331 ( 3576 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1735 -15.1735 -15.1699 -15.1699 -14.8328 -14.8328 -14.8023 -14.8023 -14.7766 -14.7766 -14.7498 -14.7498 -0.9484 -0.9484 -0.9470 -0.9470 4.6665 4.6665 4.6828 4.6828 5.2840 5.2840 5.2864 5.2864 7.8555 7.8555 7.8717 7.8717 10.1269 10.1269 10.1418 10.1418 k = 0.2222 0.5302 0.7331 ( 3576 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1733 -15.1733 -15.1696 -15.1696 -14.8319 -14.8319 -14.8015 -14.8015 -14.7774 -14.7774 -14.7507 -14.7507 -0.9535 -0.9535 -0.9522 -0.9522 4.6885 4.6885 4.7032 4.7032 5.2916 5.2916 5.2920 5.2920 7.8316 7.8316 7.8485 7.8485 10.0797 10.0797 10.0934 10.0934 k = 0.2151 0.5131 0.7331 ( 3584 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1730 -15.1730 -15.1693 -15.1693 -14.8311 -14.8311 -14.8008 -14.8008 -14.7781 -14.7781 -14.7516 -14.7516 -0.9589 -0.9589 -0.9577 -0.9577 4.7084 4.7084 4.7213 4.7213 5.3009 5.3009 5.3026 5.3026 7.8071 7.8071 7.8246 7.8246 10.0378 10.0378 10.0505 10.0505 k = 0.2079 0.4960 0.7331 ( 3586 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1727 -15.1727 -15.1690 -15.1690 -14.8302 -14.8302 -14.8001 -14.8001 -14.7788 -14.7788 -14.7525 -14.7525 -0.9647 -0.9647 -0.9635 -0.9635 4.7262 4.7262 4.7372 4.7372 5.3131 5.3131 5.3171 5.3171 7.7817 7.7817 7.7999 7.7999 10.0020 10.0020 10.0138 10.0138 k = 0.2007 0.4789 0.7331 ( 3582 PWs) bands (ev): -33.8628 -33.8628 -33.8628 -33.8628 -15.1724 -15.1724 -15.1687 -15.1687 -14.8292 -14.8292 -14.7994 -14.7994 -14.7795 -14.7795 -14.7534 -14.7534 -0.9707 -0.9707 -0.9697 -0.9697 4.7419 4.7419 4.7509 4.7509 5.3285 5.3285 5.3349 5.3349 7.7553 7.7553 7.7741 7.7741 9.9726 9.9726 9.9837 9.9837 k = 0.1936 0.4618 0.7331 ( 3574 PWs) bands (ev): -33.8628 -33.8628 -33.8628 -33.8628 -15.1720 -15.1720 -15.1684 -15.1684 -14.8281 -14.8281 -14.7987 -14.7987 -14.7800 -14.7800 -14.7543 -14.7543 -0.9770 -0.9770 -0.9761 -0.9761 4.7554 4.7554 4.7625 4.7625 5.3473 5.3473 5.3559 5.3559 7.7278 7.7278 7.7472 7.7472 9.9499 9.9499 9.9603 9.9603 k = 0.1864 0.4447 0.7331 ( 3574 PWs) bands (ev): -33.8628 -33.8628 -33.8628 -33.8628 -15.1717 -15.1717 -15.1681 -15.1681 -14.8271 -14.8271 -14.7980 -14.7980 -14.7806 -14.7806 -14.7552 -14.7552 -0.9835 -0.9835 -0.9827 -0.9827 4.7668 4.7668 4.7720 4.7720 5.3691 5.3691 5.3798 5.3798 7.6991 7.6991 7.7190 7.7190 9.9335 9.9335 9.9434 9.9434 k = 0.1792 0.4276 0.7331 ( 3570 PWs) bands (ev): -33.8628 -33.8628 -33.8628 -33.8628 -15.1713 -15.1713 -15.1677 -15.1677 -14.8260 -14.8260 -14.7974 -14.7974 -14.7810 -14.7810 -14.7561 -14.7561 -0.9902 -0.9902 -0.9895 -0.9895 4.7762 4.7762 4.7797 4.7797 5.3939 5.3939 5.4066 5.4066 7.6692 7.6692 7.6896 7.6896 9.9234 9.9234 9.9328 9.9328 k = 0.1721 0.4104 0.7331 ( 3566 PWs) bands (ev): -33.8628 -33.8628 -33.8628 -33.8628 -15.1709 -15.1709 -15.1674 -15.1674 -14.8249 -14.8249 -14.7968 -14.7968 -14.7815 -14.7815 -14.7570 -14.7570 -0.9970 -0.9970 -0.9964 -0.9964 4.7837 4.7837 4.7858 4.7858 5.4214 5.4214 5.4359 5.4359 7.6382 7.6382 7.6590 7.6590 9.9190 9.9190 9.9280 9.9280 k = 0.1649 0.3933 0.7331 ( 3566 PWs) bands (ev): -33.8629 -33.8629 -33.8629 -33.8629 -15.1705 -15.1705 -15.1671 -15.1671 -14.8237 -14.8237 -14.7962 -14.7962 -14.7818 -14.7818 -14.7578 -14.7578 -1.0040 -1.0040 -1.0035 -1.0035 4.7895 4.7895 4.7903 4.7903 5.4516 5.4516 5.4676 5.4676 7.6064 7.6064 7.6275 7.6275 9.9197 9.9197 9.9284 9.9284 k = 0.1577 0.3762 0.7331 ( 3558 PWs) bands (ev): -33.8629 -33.8629 -33.8629 -33.8629 -15.1701 -15.1701 -15.1667 -15.1667 -14.8225 -14.8225 -14.7956 -14.7956 -14.7821 -14.7821 -14.7587 -14.7587 -1.0111 -1.0111 -1.0107 -1.0107 4.7934 4.7934 4.7938 4.7938 5.4841 5.4841 5.5014 5.5014 7.5739 7.5739 7.5952 7.5952 9.9250 9.9250 9.9334 9.9334 k = 0.1505 0.3591 0.7331 ( 3552 PWs) bands (ev): -33.8629 -33.8629 -33.8629 -33.8629 -15.1697 -15.1697 -15.1664 -15.1664 -14.8213 -14.8213 -14.7952 -14.7952 -14.7823 -14.7823 -14.7596 -14.7596 -1.0182 -1.0182 -1.0179 -1.0179 4.7954 4.7954 4.7967 4.7967 5.5187 5.5187 5.5370 5.5370 7.5408 7.5408 7.5624 7.5624 9.9340 9.9340 9.9421 9.9421 k = 0.1434 0.3420 0.7331 ( 3556 PWs) bands (ev): -33.8629 -33.8629 -33.8629 -33.8629 -15.1693 -15.1693 -15.1661 -15.1661 -14.8201 -14.8201 -14.7948 -14.7948 -14.7825 -14.7825 -14.7604 -14.7604 -1.0253 -1.0253 -1.0251 -1.0251 4.7963 4.7963 4.7983 4.7983 5.5551 5.5551 5.5744 5.5744 7.5075 7.5075 7.5292 7.5292 9.9459 9.9459 9.9538 9.9538 k = 0.1362 0.3249 0.7331 ( 3564 PWs) bands (ev): -33.8630 -33.8630 -33.8630 -33.8630 -15.1689 -15.1689 -15.1658 -15.1658 -14.8189 -14.8189 -14.7945 -14.7945 -14.7826 -14.7826 -14.7613 -14.7613 -1.0324 -1.0324 -1.0323 -1.0323 4.7964 4.7964 4.7988 4.7988 5.5932 5.5932 5.6131 5.6131 7.4742 7.4742 7.4960 7.4960 9.9598 9.9598 9.9675 9.9675 k = 0.1290 0.3078 0.7331 ( 3560 PWs) bands (ev): -33.8630 -33.8630 -33.8630 -33.8630 -15.1685 -15.1685 -15.1655 -15.1655 -14.8177 -14.8177 -14.7942 -14.7942 -14.7825 -14.7825 -14.7622 -14.7622 -1.0394 -1.0394 -1.0393 -1.0393 4.7956 4.7956 4.7985 4.7985 5.6327 5.6327 5.6529 5.6529 7.4412 7.4412 7.4629 7.4629 9.9748 9.9748 9.9823 9.9823 k = 0.1219 0.2907 0.7331 ( 3552 PWs) bands (ev): -33.8630 -33.8630 -33.8630 -33.8630 -15.1681 -15.1681 -15.1652 -15.1652 -14.8165 -14.8165 -14.7940 -14.7940 -14.7824 -14.7824 -14.7630 -14.7630 -1.0464 -1.0464 -1.0463 -1.0463 4.7942 4.7942 4.7973 4.7973 5.6733 5.6733 5.6937 5.6937 7.4086 7.4086 7.4302 7.4302 9.9900 9.9900 9.9974 9.9974 k = 0.1147 0.2736 0.7331 ( 3556 PWs) bands (ev): -33.8631 -33.8631 -33.8631 -33.8631 -15.1677 -15.1677 -15.1650 -15.1650 -14.8153 -14.8153 -14.7939 -14.7939 -14.7823 -14.7823 -14.7638 -14.7638 -1.0531 -1.0531 -1.0531 -1.0531 4.7923 4.7923 4.7955 4.7955 5.7146 5.7146 5.7352 5.7352 7.3766 7.3766 7.3981 7.3981 10.0046 10.0046 10.0117 10.0117 k = 0.1075 0.2565 0.7331 ( 3552 PWs) bands (ev): -33.8631 -33.8631 -33.8631 -33.8631 -15.1673 -15.1673 -15.1647 -15.1647 -14.8140 -14.8140 -14.7939 -14.7939 -14.7821 -14.7821 -14.7646 -14.7646 -1.0598 -1.0598 -1.0597 -1.0597 4.7900 4.7900 4.7932 4.7932 5.7565 5.7565 5.7770 5.7770 7.3456 7.3456 7.3668 7.3668 10.0177 10.0177 10.0247 10.0247 k = 0.1004 0.2394 0.7331 ( 3552 PWs) bands (ev): -33.8631 -33.8631 -33.8631 -33.8631 -15.1669 -15.1669 -15.1644 -15.1644 -14.8128 -14.8128 -14.7939 -14.7939 -14.7818 -14.7818 -14.7654 -14.7654 -1.0661 -1.0661 -1.0661 -1.0661 4.7873 4.7873 4.7905 4.7905 5.7986 5.7986 5.8189 5.8189 7.3156 7.3156 7.3364 7.3364 10.0288 10.0288 10.0355 10.0355 k = 0.0932 0.2223 0.7331 ( 3544 PWs) bands (ev): -33.8631 -33.8631 -33.8631 -33.8631 -15.1665 -15.1665 -15.1642 -15.1642 -14.8116 -14.8116 -14.7939 -14.7939 -14.7814 -14.7814 -14.7662 -14.7662 -1.0723 -1.0723 -1.0722 -1.0722 4.7843 4.7843 4.7874 4.7874 5.8406 5.8406 5.8605 5.8605 7.2868 7.2868 7.3072 7.3072 10.0373 10.0373 10.0437 10.0437 k = 0.0860 0.2052 0.7331 ( 3528 PWs) bands (ev): -33.8631 -33.8631 -33.8631 -33.8631 -15.1661 -15.1661 -15.1639 -15.1639 -14.8104 -14.8104 -14.7940 -14.7940 -14.7810 -14.7810 -14.7669 -14.7669 -1.0781 -1.0781 -1.0780 -1.0780 4.7812 4.7812 4.7842 4.7842 5.8821 5.8821 5.9016 5.9016 7.2593 7.2593 7.2793 7.2793 10.0429 10.0429 10.0490 10.0490 k = 0.0789 0.1881 0.7331 ( 3532 PWs) bands (ev): -33.8632 -33.8632 -33.8632 -33.8632 -15.1658 -15.1658 -15.1638 -15.1638 -14.8093 -14.8093 -14.7942 -14.7942 -14.7806 -14.7806 -14.7677 -14.7677 -1.0836 -1.0836 -1.0834 -1.0834 4.7781 4.7781 4.7809 4.7809 5.9228 5.9228 5.9416 5.9416 7.2334 7.2334 7.2527 7.2527 10.0455 10.0455 10.0511 10.0511 k = 0.0717 0.1710 0.7331 ( 3536 PWs) bands (ev): -33.8632 -33.8632 -33.8632 -33.8632 -15.1655 -15.1655 -15.1636 -15.1636 -14.8082 -14.8082 -14.7945 -14.7945 -14.7802 -14.7802 -14.7684 -14.7684 -1.0887 -1.0887 -1.0885 -1.0885 4.7749 4.7749 4.7775 4.7775 5.9622 5.9622 5.9803 5.9803 7.2091 7.2091 7.2276 7.2276 10.0452 10.0452 10.0503 10.0503 k = 0.0645 0.1539 0.7331 ( 3536 PWs) bands (ev): -33.8632 -33.8632 -33.8632 -33.8632 -15.1652 -15.1652 -15.1635 -15.1635 -14.8071 -14.8071 -14.7947 -14.7947 -14.7797 -14.7797 -14.7692 -14.7692 -1.0934 -1.0934 -1.0933 -1.0933 4.7719 4.7719 4.7742 4.7742 6.0001 6.0001 6.0172 6.0172 7.1866 7.1866 7.2041 7.2041 10.0423 10.0423 10.0469 10.0469 k = 0.0574 0.1368 0.7331 ( 3528 PWs) bands (ev): -33.8632 -33.8632 -33.8632 -33.8632 -15.1649 -15.1649 -15.1633 -15.1633 -14.8060 -14.8060 -14.7950 -14.7950 -14.7792 -14.7792 -14.7698 -14.7698 -1.0977 -1.0977 -1.0976 -1.0976 4.7689 4.7689 4.7710 4.7710 6.0359 6.0359 6.0519 6.0519 7.1660 7.1660 7.1824 7.1824 10.0372 10.0372 10.0413 10.0413 k = 0.0502 0.1197 0.7331 ( 3528 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1646 -15.1646 -15.1632 -15.1632 -14.8050 -14.8050 -14.7954 -14.7954 -14.7787 -14.7787 -14.7705 -14.7705 -1.1016 -1.1016 -1.1014 -1.1014 4.7662 4.7662 4.7681 4.7681 6.0692 6.0692 6.0839 6.0839 7.1474 7.1474 7.1625 7.1625 10.0305 10.0305 10.0341 10.0341 k = 0.0430 0.1026 0.7331 ( 3524 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1643 -15.1643 -15.1632 -15.1632 -14.8040 -14.8040 -14.7958 -14.7958 -14.7782 -14.7782 -14.7712 -14.7712 -1.1049 -1.1049 -1.1048 -1.1048 4.7638 4.7638 4.7654 4.7654 6.0995 6.0995 6.1127 6.1127 7.1311 7.1311 7.1446 7.1446 10.0229 10.0229 10.0259 10.0259 k = 0.0358 0.0855 0.7331 ( 3524 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1641 -15.1641 -15.1631 -15.1631 -14.8031 -14.8031 -14.7962 -14.7962 -14.7777 -14.7777 -14.7718 -14.7718 -1.1078 -1.1078 -1.1077 -1.1077 4.7616 4.7616 4.7630 4.7630 6.1265 6.1265 6.1379 6.1379 7.1171 7.1171 7.1288 7.1288 10.0151 10.0151 10.0176 10.0176 k = 0.0287 0.0684 0.7331 ( 3524 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1639 -15.1639 -15.1631 -15.1631 -14.8022 -14.8022 -14.7967 -14.7967 -14.7772 -14.7772 -14.7725 -14.7725 -1.1102 -1.1102 -1.1101 -1.1101 4.7598 4.7598 4.7609 4.7609 6.1495 6.1495 6.1590 6.1590 7.1056 7.1056 7.1153 7.1153 10.0077 10.0077 10.0096 10.0096 k = 0.0215 0.0513 0.7331 ( 3536 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1637 -15.1637 -15.1631 -15.1631 -14.8014 -14.8014 -14.7973 -14.7973 -14.7767 -14.7767 -14.7732 -14.7732 -1.1121 -1.1121 -1.1120 -1.1120 4.7584 4.7584 4.7592 4.7592 6.1683 6.1683 6.1756 6.1756 7.0968 7.0968 7.1043 7.1043 10.0013 10.0013 10.0027 10.0027 k = 0.0143 0.0342 0.7331 ( 3536 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1636 -15.1636 -15.1632 -15.1632 -14.8006 -14.8006 -14.7978 -14.7978 -14.7761 -14.7761 -14.7738 -14.7738 -1.1134 -1.1134 -1.1134 -1.1134 4.7575 4.7575 4.7580 4.7580 6.1823 6.1823 6.1873 6.1873 7.0908 7.0908 7.0959 7.0959 9.9964 9.9964 9.9974 9.9974 k = 0.0072 0.0171 0.7331 ( 3532 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1634 -15.1634 -15.1632 -15.1632 -14.7998 -14.7998 -14.7984 -14.7984 -14.7755 -14.7755 -14.7744 -14.7744 -1.1142 -1.1142 -1.1142 -1.1142 4.7569 4.7569 4.7572 4.7572 6.1914 6.1914 6.1940 6.1940 7.0877 7.0877 7.0903 7.0903 9.9934 9.9934 9.9939 9.9939 k = 0.0000 0.0000 0.7331 ( 3532 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1633 -15.1633 -15.1633 -15.1633 -14.7991 -14.7991 -14.7991 -14.7991 -14.7750 -14.7750 -14.7750 -14.7750 -1.1145 -1.1145 -1.1145 -1.1145 4.7568 4.7568 4.7568 4.7568 6.1953 6.1953 6.1953 6.1953 7.0875 7.0875 7.0875 7.0875 9.9925 9.9925 9.9925 9.9925 k = 0.0000 0.0000 0.7331 ( 3532 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1633 -15.1633 -15.1633 -15.1633 -14.7991 -14.7991 -14.7991 -14.7991 -14.7750 -14.7750 -14.7750 -14.7750 -1.1145 -1.1145 -1.1145 -1.1145 4.7568 4.7568 4.7568 4.7568 6.1953 6.1953 6.1953 6.1953 7.0875 7.0875 7.0875 7.0875 9.9925 9.9925 9.9925 9.9925 k = 0.0000 0.0000 0.7147 ( 3536 PWs) bands (ev): -33.8638 -33.8638 -33.8629 -33.8629 -15.1650 -15.1650 -15.1616 -15.1616 -14.8011 -14.8011 -14.7972 -14.7972 -14.7751 -14.7751 -14.7747 -14.7747 -1.2098 -1.2098 -1.0180 -1.0180 4.6863 4.6863 4.8278 4.8278 6.1551 6.1551 6.2369 6.2369 7.0286 7.0286 7.1505 7.1505 9.9433 9.9433 10.0394 10.0394 k = 0.0000 0.0000 0.6964 ( 3540 PWs) bands (ev): -33.8643 -33.8643 -33.8624 -33.8624 -15.1667 -15.1667 -15.1598 -15.1598 -14.8030 -14.8030 -14.7955 -14.7955 -14.7749 -14.7749 -14.7742 -14.7742 -1.3037 -1.3037 -0.9206 -0.9206 4.6171 4.6171 4.8986 4.8986 6.1161 6.1161 6.2797 6.2797 6.9746 6.9746 7.2170 7.2170 9.8922 9.8922 10.0830 10.0830 k = 0.0000 0.0000 0.6781 ( 3540 PWs) bands (ev): -33.8648 -33.8648 -33.8620 -33.8620 -15.1683 -15.1683 -15.1580 -15.1580 -14.8051 -14.8051 -14.7940 -14.7940 -14.7745 -14.7745 -14.7737 -14.7737 -1.3963 -1.3963 -0.8224 -0.8224 4.5498 4.5498 4.9680 4.9680 6.0783 6.0783 6.3237 6.3237 6.9264 6.9264 7.2865 7.2865 9.8398 9.8398 10.1228 10.1228 k = 0.0000 0.0000 0.6598 ( 3548 PWs) bands (ev): -33.8653 -33.8653 -33.8615 -33.8615 -15.1699 -15.1699 -15.1562 -15.1562 -14.8071 -14.8071 -14.7926 -14.7926 -14.7738 -14.7738 -14.7730 -14.7730 -1.4873 -1.4873 -0.7235 -0.7235 4.4850 4.4850 5.0350 5.0350 6.0418 6.0418 6.3691 6.3691 6.8850 6.8850 7.3585 7.3585 9.7864 9.7864 10.1574 10.1574 k = 0.0000 0.0000 0.6414 ( 3544 PWs) bands (ev): -33.8658 -33.8658 -33.8611 -33.8611 -15.1714 -15.1714 -15.1543 -15.1543 -14.8091 -14.8091 -14.7915 -14.7915 -14.7727 -14.7727 -14.7721 -14.7721 -1.5766 -1.5766 -0.6243 -0.6243 4.4231 4.4231 5.0983 5.0983 6.0065 6.0065 6.4158 6.4158 6.8517 6.8517 7.4326 7.4326 9.7325 9.7325 10.1858 10.1858 k = 0.0000 0.0000 0.6231 ( 3542 PWs) bands (ev): -33.8663 -33.8663 -33.8607 -33.8607 -15.1728 -15.1728 -15.1524 -15.1524 -14.8110 -14.8110 -14.7906 -14.7906 -14.7716 -14.7716 -14.7709 -14.7709 -1.6642 -1.6642 -0.5250 -0.5250 4.3647 4.3647 5.1565 5.1565 5.9724 5.9724 6.4638 6.4638 6.8279 6.8279 7.5085 7.5085 9.6783 9.6783 10.2066 10.2066 k = 0.0000 0.0000 0.6048 ( 3540 PWs) bands (ev): -33.8668 -33.8668 -33.8603 -33.8603 -15.1742 -15.1742 -15.1504 -15.1504 -14.8130 -14.8130 -14.7899 -14.7899 -14.7707 -14.7707 -14.7691 -14.7691 -1.7499 -1.7499 -0.4258 -0.4258 4.3103 4.3103 5.2081 5.2081 5.9394 5.9394 6.5130 6.5130 6.8150 6.8150 7.5859 7.5859 9.6241 9.6241 10.2182 10.2182 k = 0.0000 0.0000 0.5864 ( 3548 PWs) bands (ev): -33.8674 -33.8674 -33.8600 -33.8600 -15.1756 -15.1756 -15.1485 -15.1485 -14.8149 -14.8149 -14.7894 -14.7894 -14.7698 -14.7698 -14.7671 -14.7671 -1.8337 -1.8337 -0.3271 -0.3271 4.2602 4.2602 5.2515 5.2515 5.9076 5.9076 6.5635 6.5635 6.8143 6.8143 7.6645 7.6645 9.5701 9.5701 10.2191 10.2191 k = 0.0000 0.0000 0.5681 ( 3540 PWs) bands (ev): -33.8679 -33.8679 -33.8596 -33.8596 -15.1769 -15.1769 -15.1465 -15.1465 -14.8167 -14.8167 -14.7890 -14.7890 -14.7689 -14.7689 -14.7647 -14.7647 -1.9154 -1.9154 -0.2291 -0.2291 4.2149 4.2149 5.2858 5.2858 5.8770 5.8770 6.6153 6.6153 6.8270 6.8270 7.7440 7.7440 9.5167 9.5167 10.2084 10.2084 k = 0.0000 0.0000 0.5498 ( 3546 PWs) bands (ev): -33.8684 -33.8684 -33.8592 -33.8592 -15.1782 -15.1782 -15.1446 -15.1446 -14.8186 -14.8186 -14.7886 -14.7886 -14.7679 -14.7679 -14.7622 -14.7622 -1.9951 -1.9951 -0.1322 -0.1322 4.1750 4.1750 5.3100 5.3100 5.8474 5.8474 6.6682 6.6682 6.8537 6.8537 7.8240 7.8240 9.4641 9.4641 10.1855 10.1855 k = 0.0000 0.0000 0.5315 ( 3542 PWs) bands (ev): -33.8690 -33.8690 -33.8589 -33.8589 -15.1794 -15.1794 -15.1426 -15.1426 -14.8203 -14.8203 -14.7883 -14.7883 -14.7670 -14.7670 -14.7595 -14.7595 -2.0727 -2.0727 -0.0369 -0.0369 4.1407 4.1407 5.3241 5.3241 5.8190 5.8190 6.7222 6.7222 6.8946 6.8946 7.9045 7.9045 9.4124 9.4124 10.1506 10.1506 k = 0.0000 0.0000 0.5131 ( 3542 PWs) bands (ev): -33.8695 -33.8695 -33.8586 -33.8586 -15.1805 -15.1805 -15.1406 -15.1406 -14.8220 -14.8220 -14.7879 -14.7879 -14.7660 -14.7660 -14.7567 -14.7567 -2.1480 -2.1480 0.0565 0.0565 4.1127 4.1127 5.3286 5.3286 5.7916 5.7916 6.7774 6.7774 6.9490 6.9490 7.9849 7.9849 9.3620 9.3620 10.1048 10.1048 k = 0.0000 0.0000 0.4948 ( 3542 PWs) bands (ev): -33.8700 -33.8700 -33.8583 -33.8583 -15.1817 -15.1817 -15.1387 -15.1387 -14.8237 -14.8237 -14.7876 -14.7876 -14.7650 -14.7650 -14.7539 -14.7539 -2.2211 -2.2211 0.1475 0.1475 4.0913 4.0913 5.3243 5.3243 5.7653 5.7653 6.8335 6.8335 7.0159 7.0159 8.0650 8.0650 9.3131 9.3131 10.0497 10.0497 k = 0.0000 0.0000 0.4765 ( 3550 PWs) bands (ev): -33.8706 -33.8706 -33.8580 -33.8580 -15.1828 -15.1828 -15.1367 -15.1367 -14.8254 -14.8254 -14.7872 -14.7872 -14.7641 -14.7641 -14.7509 -14.7509 -2.2918 -2.2918 0.2357 0.2357 4.0771 4.0771 5.3125 5.3125 5.7401 5.7401 6.8907 6.8907 7.0938 7.0938 8.1444 8.1444 9.2660 9.2660 9.9871 9.9871 k = 0.0000 0.0000 0.4582 ( 3546 PWs) bands (ev): -33.8711 -33.8711 -33.8577 -33.8577 -15.1839 -15.1839 -15.1348 -15.1348 -14.8269 -14.8269 -14.7868 -14.7868 -14.7631 -14.7631 -14.7479 -14.7479 -2.3603 -2.3603 0.3207 0.3207 4.0704 4.0704 5.2945 5.2945 5.7159 5.7159 6.9488 6.9488 7.1813 7.1813 8.2226 8.2226 9.2211 9.2211 9.9191 9.9191 k = 0.0000 0.0000 0.4398 ( 3544 PWs) bands (ev): -33.8716 -33.8716 -33.8574 -33.8574 -15.1849 -15.1849 -15.1329 -15.1329 -14.8285 -14.8285 -14.7863 -14.7863 -14.7622 -14.7622 -14.7449 -14.7449 -2.4263 -2.4263 0.4019 0.4019 4.0718 4.0718 5.2716 5.2716 5.6928 5.6928 7.0078 7.0078 7.2766 7.2766 8.2989 8.2989 9.1787 9.1787 9.8475 9.8475 k = 0.0000 0.0000 0.4215 ( 3540 PWs) bands (ev): -33.8721 -33.8721 -33.8572 -33.8572 -15.1858 -15.1858 -15.1310 -15.1310 -14.8299 -14.8299 -14.7858 -14.7858 -14.7612 -14.7612 -14.7419 -14.7419 -2.4899 -2.4899 0.4790 0.4790 4.0816 4.0816 5.2449 5.2449 5.6707 5.6707 7.0677 7.0677 7.3781 7.3781 8.3726 8.3726 9.1394 9.1394 9.7741 9.7741 k = 0.0000 0.0000 0.4032 ( 3542 PWs) bands (ev): -33.8726 -33.8726 -33.8570 -33.8570 -15.1868 -15.1868 -15.1292 -15.1292 -14.8313 -14.8313 -14.7852 -14.7852 -14.7603 -14.7603 -14.7389 -14.7389 -2.5510 -2.5510 0.5516 0.5516 4.1001 4.1001 5.2154 5.2154 5.6496 5.6496 7.1283 7.1283 7.4843 7.4843 8.4426 8.4426 9.1037 9.1037 9.7008 9.7008 k = 0.0000 0.0000 0.3849 ( 3554 PWs) bands (ev): -33.8731 -33.8731 -33.8568 -33.8568 -15.1877 -15.1877 -15.1275 -15.1275 -14.8328 -14.8328 -14.7846 -14.7846 -14.7595 -14.7595 -14.7359 -14.7359 -2.6097 -2.6097 0.6194 0.6194 4.1277 4.1277 5.1842 5.1842 5.6296 5.6296 7.1896 7.1896 7.5935 7.5935 8.5072 8.5072 9.0726 9.0726 9.6295 9.6295 k = 0.0000 0.0000 0.3665 ( 3550 PWs) bands (ev): -33.8735 -33.8735 -33.8565 -33.8565 -15.1886 -15.1886 -15.1257 -15.1257 -14.8341 -14.8341 -14.7840 -14.7840 -14.7586 -14.7586 -14.7328 -14.7328 -2.6658 -2.6658 0.6820 0.6820 4.1645 4.1645 5.1517 5.1517 5.6105 5.6105 7.2513 7.2513 7.7038 7.7038 8.5645 8.5645 9.0472 9.0472 9.5628 9.5628 k = 0.0000 0.0000 0.3482 ( 3550 PWs) bands (ev): -33.8740 -33.8740 -33.8564 -33.8564 -15.1894 -15.1894 -15.1241 -15.1241 -14.8353 -14.8353 -14.7833 -14.7833 -14.7578 -14.7578 -14.7299 -14.7299 -2.7193 -2.7193 0.7394 0.7394 4.2107 4.2107 5.1188 5.1188 5.5925 5.5925 7.3135 7.3135 7.8133 7.8133 8.6112 8.6112 9.0291 9.0291 9.5036 9.5036 k = 0.0000 0.0000 0.3299 ( 3546 PWs) bands (ev): -33.8744 -33.8744 -33.8562 -33.8562 -15.1902 -15.1902 -15.1225 -15.1225 -14.8365 -14.8365 -14.7825 -14.7825 -14.7570 -14.7570 -14.7270 -14.7270 -2.7702 -2.7702 0.7914 0.7914 4.2660 4.2660 5.0858 5.0858 5.5754 5.5754 7.3758 7.3758 7.9192 7.9192 8.6434 8.6434 9.0204 9.0204 9.4559 9.4559 k = 0.0000 0.0000 0.3115 ( 3551 PWs) bands (ev): -33.8749 -33.8749 -33.8560 -33.8560 -15.1909 -15.1909 -15.1209 -15.1209 -14.8377 -14.8377 -14.7817 -14.7817 -14.7562 -14.7562 -14.7242 -14.7242 -2.8186 -2.8186 0.8381 0.8381 4.3305 4.3305 5.0532 5.0532 5.5593 5.5593 7.4382 7.4382 8.0183 8.0183 8.6566 8.6566 9.0239 9.0239 9.4239 9.4239 k = 0.0000 0.0000 0.2932 ( 3549 PWs) bands (ev): -33.8753 -33.8753 -33.8558 -33.8558 -15.1916 -15.1916 -15.1195 -15.1195 -14.8388 -14.8388 -14.7810 -14.7810 -14.7555 -14.7555 -14.7215 -14.7215 -2.8643 -2.8643 0.8796 0.8796 4.4037 4.4037 5.0214 5.0214 5.5441 5.5441 7.5003 7.5003 8.1068 8.1068 8.6474 8.6474 9.0432 9.0432 9.4106 9.4106 k = 0.0000 0.0000 0.2749 ( 3545 PWs) bands (ev): -33.8757 -33.8757 -33.8557 -33.8557 -15.1923 -15.1923 -15.1181 -15.1181 -14.8398 -14.8398 -14.7801 -14.7801 -14.7548 -14.7548 -14.7188 -14.7188 -2.9073 -2.9073 0.9161 0.9161 4.4852 4.4852 4.9908 4.9908 5.5299 5.5299 7.5620 7.5620 8.1810 8.1810 8.6150 8.6150 9.0816 9.0816 9.4162 9.4162 k = 0.0000 0.0000 0.2566 ( 3545 PWs) bands (ev): -33.8760 -33.8760 -33.8556 -33.8556 -15.1929 -15.1929 -15.1167 -15.1167 -14.8408 -14.8408 -14.7794 -14.7794 -14.7541 -14.7541 -14.7163 -14.7163 -2.9476 -2.9476 0.9479 0.9479 4.5744 4.5744 4.9616 4.9616 5.5166 5.5166 7.6229 7.6229 8.2385 8.2385 8.5620 8.5620 9.1412 9.1412 9.4378 9.4378 k = 0.0000 0.0000 0.2382 ( 3549 PWs) bands (ev): -33.8764 -33.8764 -33.8554 -33.8554 -15.1935 -15.1935 -15.1155 -15.1155 -14.8417 -14.8417 -14.7786 -14.7786 -14.7535 -14.7535 -14.7139 -14.7139 -2.9853 -2.9853 0.9754 0.9754 4.6700 4.6700 4.9347 4.9347 5.5043 5.5043 7.6828 7.6828 8.2792 8.2792 8.4922 8.4922 9.2217 9.2217 9.4709 9.4709 k = 0.0000 0.0000 0.2199 ( 3553 PWs) bands (ev): -33.8767 -33.8767 -33.8553 -33.8553 -15.1940 -15.1940 -15.1144 -15.1144 -14.8425 -14.8425 -14.7778 -14.7778 -14.7530 -14.7530 -14.7116 -14.7116 -3.0202 -3.0202 0.9988 0.9988 4.7690 4.7690 4.9126 4.9126 5.4930 5.4930 7.7412 7.7412 8.3052 8.3052 8.4095 8.4095 9.3206 9.3206 9.5115 9.5115 k = 0.0000 0.0000 0.2016 ( 3557 PWs) bands (ev): -33.8770 -33.8770 -33.8552 -33.8552 -15.1946 -15.1946 -15.1133 -15.1133 -14.8434 -14.8434 -14.7771 -14.7771 -14.7525 -14.7525 -14.7094 -14.7094 -3.0524 -3.0524 1.0186 1.0186 4.8460 4.8460 4.9200 4.9200 5.4825 5.4825 7.7978 7.7978 8.3149 8.3149 8.3217 8.3217 9.4340 9.4340 9.5566 9.5566 k = 0.0000 0.0000 0.1833 ( 3563 PWs) bands (ev): -33.8773 -33.8773 -33.8551 -33.8551 -15.1951 -15.1951 -15.1123 -15.1123 -14.8441 -14.8441 -14.7763 -14.7763 -14.7520 -14.7520 -14.7074 -14.7074 -3.0818 -3.0818 1.0352 1.0352 4.8455 4.8455 5.0116 5.0116 5.4731 5.4731 7.8519 7.8519 8.2165 8.2165 8.3263 8.3263 9.5546 9.5546 9.6071 9.6071 k = 0.0000 0.0000 0.1649 ( 3563 PWs) bands (ev): -33.8776 -33.8776 -33.8551 -33.8551 -15.1955 -15.1955 -15.1114 -15.1114 -14.8448 -14.8448 -14.7757 -14.7757 -14.7516 -14.7516 -14.7056 -14.7056 -3.1085 -3.1085 1.0490 1.0490 4.8279 4.8279 5.1258 5.1258 5.4647 5.4647 7.9025 7.9025 8.1111 8.1111 8.3273 8.3273 9.6379 9.6379 9.7027 9.7027 k = 0.0000 0.0000 0.1466 ( 3575 PWs) bands (ev): -33.8778 -33.8778 -33.8550 -33.8550 -15.1959 -15.1959 -15.1107 -15.1107 -14.8454 -14.8454 -14.7750 -14.7750 -14.7512 -14.7512 -14.7039 -14.7039 -3.1324 -3.1324 1.0603 1.0603 4.8099 4.8099 5.2447 5.2447 5.4576 5.4576 7.9422 7.9422 8.0089 8.0089 8.3250 8.3250 9.6851 9.6851 9.8382 9.8382 k = 0.0000 0.0000 0.1283 ( 3581 PWs) bands (ev): -33.8781 -33.8781 -33.8549 -33.8549 -15.1963 -15.1963 -15.1100 -15.1100 -14.8459 -14.8459 -14.7745 -14.7745 -14.7509 -14.7509 -14.7025 -14.7025 -3.1535 -3.1535 1.0695 1.0695 4.7934 4.7934 5.3633 5.3633 5.4532 5.4532 7.8773 7.8773 8.0050 8.0050 8.3208 8.3208 9.7269 9.7269 9.9795 9.9795 k = 0.0000 0.0000 0.1100 ( 3593 PWs) bands (ev): -33.8782 -33.8782 -33.8549 -33.8549 -15.1966 -15.1966 -15.1094 -15.1094 -14.8464 -14.8464 -14.7740 -14.7740 -14.7506 -14.7506 -14.7012 -14.7012 -3.1719 -3.1719 1.0768 1.0768 4.7787 4.7787 5.4362 5.4362 5.4947 5.4947 7.7659 7.7659 8.0427 8.0427 8.3157 8.3157 9.7650 9.7650 10.1198 10.1198 k = 0.0000 0.0000 0.0916 ( 3589 PWs) bands (ev): -33.8784 -33.8784 -33.8548 -33.8548 -15.1969 -15.1969 -15.1088 -15.1088 -14.8468 -14.8468 -14.7736 -14.7736 -14.7503 -14.7503 -14.7000 -14.7000 -3.1874 -3.1874 1.0826 1.0826 4.7661 4.7661 5.4360 5.4360 5.6068 5.6068 7.6547 7.6547 8.0776 8.0776 8.3105 8.3105 9.7990 9.7990 10.1681 10.1681 k = 0.0000 0.0000 0.0733 ( 3585 PWs) bands (ev): -33.8785 -33.8785 -33.8548 -33.8548 -15.1971 -15.1971 -15.1084 -15.1084 -14.8471 -14.8471 -14.7732 -14.7732 -14.7501 -14.7501 -14.6991 -14.6991 -3.2001 -3.2001 1.0870 1.0870 4.7556 4.7556 5.4328 5.4328 5.7156 5.7156 7.5491 7.5491 8.1074 8.1074 8.3057 8.3057 9.8287 9.8287 10.1227 10.1227 k = 0.0000 0.0000 0.0550 ( 3581 PWs) bands (ev): -33.8786 -33.8786 -33.8548 -33.8548 -15.1972 -15.1972 -15.1080 -15.1080 -14.8474 -14.8474 -14.7728 -14.7728 -14.7500 -14.7500 -14.6983 -14.6983 -3.2100 -3.2100 1.0903 1.0903 4.7475 4.7475 5.4299 5.4299 5.8128 5.8128 7.4545 7.4545 8.1313 8.1313 8.3016 8.3016 9.8539 9.8539 10.0833 10.0833 k = 0.0000 0.0000 0.0367 ( 3585 PWs) bands (ev): -33.8787 -33.8787 -33.8548 -33.8548 -15.1974 -15.1974 -15.1078 -15.1078 -14.8475 -14.8475 -14.7726 -14.7726 -14.7499 -14.7499 -14.6978 -14.6978 -3.2170 -3.2170 1.0925 1.0925 4.7416 4.7416 5.4278 5.4278 5.8913 5.8913 7.3778 7.3778 8.1488 8.1488 8.2986 8.2986 9.8738 9.8738 10.0531 10.0531 k = 0.0000 0.0000 0.0183 ( 3587 PWs) bands (ev): -33.8788 -33.8788 -33.8547 -33.8547 -15.1974 -15.1974 -15.1077 -15.1077 -14.8476 -14.8476 -14.7725 -14.7725 -14.7498 -14.7498 -14.6975 -14.6975 -3.2213 -3.2213 1.0938 1.0938 4.7381 4.7381 5.4265 5.4265 5.9433 5.9433 7.3268 7.3268 8.1595 8.1595 8.2967 8.2967 9.8873 9.8873 10.0334 10.0334 k = 0.0000 0.0000 0.0000 ( 3571 PWs) bands (ev): -33.8788 -33.8788 -33.8547 -33.8547 -15.1974 -15.1974 -15.1076 -15.1076 -14.8476 -14.8476 -14.7724 -14.7724 -14.7498 -14.7498 -14.6974 -14.6974 -3.2227 -3.2227 1.0942 1.0942 4.7369 4.7369 5.4261 5.4261 5.9616 5.9616 7.3089 7.3089 8.1631 8.1631 8.2960 8.2960 9.8923 9.8923 10.0265 10.0265 k = 0.0000 0.0000 0.0000 ( 3571 PWs) bands (ev): -33.8788 -33.8788 -33.8547 -33.8547 -15.1974 -15.1974 -15.1076 -15.1076 -14.8476 -14.8476 -14.7724 -14.7724 -14.7498 -14.7498 -14.6974 -14.6974 -3.2227 -3.2227 1.0942 1.0942 4.7369 4.7369 5.4261 5.4261 5.9616 5.9616 7.3089 7.3089 8.1631 8.1631 8.2960 8.2960 9.8923 9.8923 10.0265 10.0265 k =-0.0172 0.0072-0.0000 ( 3577 PWs) bands (ev): -33.8787 -33.8787 -33.8547 -33.8547 -15.1973 -15.1973 -15.1077 -15.1077 -14.8476 -14.8476 -14.7724 -14.7724 -14.7498 -14.7498 -14.6975 -14.6975 -3.2221 -3.2221 1.0920 1.0920 4.7406 4.7406 5.4263 5.4263 5.9614 5.9614 7.3093 7.3093 8.1646 8.1646 8.2938 8.2938 9.8908 9.8908 10.0225 10.0225 k =-0.0345 0.0145-0.0000 ( 3577 PWs) bands (ev): -33.8787 -33.8787 -33.8548 -33.8548 -15.1971 -15.1971 -15.1079 -15.1079 -14.8473 -14.8473 -14.7724 -14.7724 -14.7499 -14.7499 -14.6977 -14.6977 -3.2202 -3.2202 1.0853 1.0853 4.7516 4.7516 5.4269 5.4269 5.9611 5.9611 7.3105 7.3105 8.1692 8.1692 8.2870 8.2870 9.8866 9.8866 10.0107 10.0107 k =-0.0517 0.0217-0.0000 ( 3577 PWs) bands (ev): -33.8786 -33.8786 -33.8549 -33.8549 -15.1968 -15.1968 -15.1082 -15.1082 -14.8470 -14.8470 -14.7723 -14.7723 -14.7500 -14.7500 -14.6981 -14.6981 -3.2172 -3.2172 1.0744 1.0744 4.7698 4.7698 5.4279 5.4279 5.9605 5.9605 7.3123 7.3123 8.1768 8.1768 8.2760 8.2760 9.8800 9.8800 9.9911 9.9911 k =-0.0690 0.0289-0.0000 ( 3577 PWs) bands (ev): -33.8785 -33.8785 -33.8550 -33.8550 -15.1964 -15.1964 -15.1087 -15.1087 -14.8465 -14.8465 -14.7723 -14.7723 -14.7502 -14.7502 -14.6986 -14.6986 -3.2130 -3.2130 1.0594 1.0594 4.7950 4.7950 5.4294 5.4294 5.9597 5.9597 7.3144 7.3144 8.1875 8.1875 8.2616 8.2616 9.8715 9.8715 9.9638 9.9638 k =-0.0862 0.0361 0.0000 ( 3577 PWs) bands (ev): -33.8783 -33.8783 -33.8551 -33.8551 -15.1958 -15.1958 -15.1094 -15.1094 -14.8459 -14.8459 -14.7723 -14.7723 -14.7503 -14.7503 -14.6992 -14.6992 -3.2076 -3.2076 1.0406 1.0406 4.8268 4.8268 5.4312 5.4312 5.9587 5.9587 7.3167 7.3167 8.2012 8.2012 8.2442 8.2442 9.8617 9.8617 9.9293 9.9293 k =-0.1034 0.0434-0.0000 ( 3581 PWs) bands (ev): -33.8782 -33.8782 -33.8553 -33.8553 -15.1951 -15.1951 -15.1101 -15.1101 -14.8451 -14.8451 -14.7723 -14.7723 -14.7506 -14.7506 -14.6999 -14.6999 -3.2012 -3.2012 1.0183 1.0183 4.8651 4.8651 5.4333 5.4333 5.9574 5.9574 7.3185 7.3185 8.2180 8.2180 8.2248 8.2248 9.8507 9.8507 9.8882 9.8882 k =-0.1207 0.0506-0.0000 ( 3580 PWs) bands (ev): -33.8779 -33.8779 -33.8556 -33.8556 -15.1943 -15.1943 -15.1110 -15.1110 -14.8442 -14.8442 -14.7723 -14.7723 -14.7508 -14.7508 -14.7008 -14.7008 -3.1937 -3.1937 0.9929 0.9929 4.9094 4.9094 5.4358 5.4358 5.9560 5.9560 7.3195 7.3195 8.2042 8.2042 8.2378 8.2378 9.8341 9.8341 9.8466 9.8466 k =-0.1379 0.0578-0.0000 ( 3578 PWs) bands (ev): -33.8777 -33.8777 -33.8558 -33.8558 -15.1934 -15.1934 -15.1120 -15.1120 -14.8432 -14.8432 -14.7723 -14.7723 -14.7510 -14.7510 -14.7018 -14.7018 -3.1852 -3.1852 0.9647 0.9647 4.9592 4.9592 5.4387 5.4387 5.9544 5.9544 7.3192 7.3192 8.1833 8.1833 8.2606 8.2606 9.7860 9.7860 9.8318 9.8318 k =-0.1552 0.0650-0.0000 ( 3572 PWs) bands (ev): -33.8774 -33.8774 -33.8561 -33.8561 -15.1923 -15.1923 -15.1131 -15.1131 -14.8420 -14.8420 -14.7724 -14.7724 -14.7511 -14.7511 -14.7029 -14.7029 -3.1759 -3.1759 0.9342 0.9342 5.0142 5.0142 5.4418 5.4418 5.9527 5.9527 7.3169 7.3169 8.1627 8.1627 8.2865 8.2865 9.7298 9.7298 9.8220 9.8220 k =-0.1724 0.0723-0.0000 ( 3572 PWs) bands (ev): -33.8771 -33.8771 -33.8564 -33.8564 -15.1912 -15.1912 -15.1143 -15.1143 -14.8407 -14.8407 -14.7726 -14.7726 -14.7513 -14.7513 -14.7041 -14.7041 -3.1658 -3.1658 0.9019 0.9019 5.0738 5.0738 5.4451 5.4451 5.9509 5.9509 7.3123 7.3123 8.1430 8.1430 8.3153 8.3153 9.6709 9.6709 9.8135 9.8135 k =-0.1897 0.0795-0.0000 ( 3566 PWs) bands (ev): -33.8768 -33.8768 -33.8567 -33.8567 -15.1899 -15.1899 -15.1157 -15.1157 -14.8393 -14.8393 -14.7729 -14.7729 -14.7513 -14.7513 -14.7055 -14.7055 -3.1550 -3.1550 0.8681 0.8681 5.1377 5.1377 5.4487 5.4487 5.9489 5.9489 7.3049 7.3049 8.1242 8.1242 8.3471 8.3471 9.6112 9.6112 9.8066 9.8066 k =-0.2069 0.0867-0.0000 ( 3554 PWs) bands (ev): -33.8764 -33.8764 -33.8571 -33.8571 -15.1885 -15.1885 -15.1171 -15.1171 -14.8377 -14.8377 -14.7733 -14.7733 -14.7513 -14.7513 -14.7068 -14.7068 -3.1436 -3.1436 0.8333 0.8333 5.2053 5.2053 5.4524 5.4524 5.9470 5.9470 7.2947 7.2947 8.1062 8.1062 8.3819 8.3819 9.5524 9.5524 9.8014 9.8014 k =-0.2241 0.0940-0.0000 ( 3554 PWs) bands (ev): -33.8760 -33.8760 -33.8574 -33.8574 -15.1870 -15.1870 -15.1187 -15.1187 -14.8361 -14.8361 -14.7738 -14.7738 -14.7512 -14.7512 -14.7083 -14.7083 -3.1317 -3.1317 0.7979 0.7979 5.2761 5.2761 5.4562 5.4562 5.9450 5.9450 7.2816 7.2816 8.0882 8.0882 8.4196 8.4196 9.4964 9.4964 9.7978 9.7978 k =-0.2414 0.1012-0.0000 ( 3564 PWs) bands (ev): -33.8756 -33.8756 -33.8579 -33.8579 -15.1855 -15.1855 -15.1204 -15.1204 -14.8344 -14.8344 -14.7745 -14.7745 -14.7510 -14.7510 -14.7099 -14.7099 -3.1196 -3.1196 0.7623 0.7623 5.3496 5.3496 5.4601 5.4601 5.9431 5.9431 7.2660 7.2660 8.0690 8.0690 8.4602 8.4602 9.4454 9.4454 9.7961 9.7961 k =-0.2586 0.1084-0.0000 ( 3568 PWs) bands (ev): -33.8752 -33.8752 -33.8583 -33.8583 -15.1838 -15.1838 -15.1222 -15.1222 -14.8326 -14.8326 -14.7754 -14.7754 -14.7507 -14.7507 -14.7115 -14.7115 -3.1072 -3.1072 0.7269 0.7269 5.4252 5.4252 5.4641 5.4641 5.9414 5.9414 7.2481 7.2481 8.0474 8.0474 8.5037 8.5037 9.4012 9.4012 9.7962 9.7962 k =-0.2759 0.1156-0.0000 ( 3568 PWs) bands (ev): -33.8747 -33.8747 -33.8588 -33.8588 -15.1821 -15.1821 -15.1240 -15.1240 -14.8307 -14.8307 -14.7764 -14.7764 -14.7503 -14.7503 -14.7132 -14.7132 -3.0948 -3.0948 0.6922 0.6922 5.4678 5.4678 5.5025 5.5025 5.9400 5.9400 7.2287 7.2287 8.0219 8.0219 8.5500 8.5500 9.3656 9.3656 9.7981 9.7981 k =-0.2931 0.1229-0.0000 ( 3572 PWs) bands (ev): -33.8742 -33.8742 -33.8592 -33.8592 -15.1803 -15.1803 -15.1259 -15.1259 -14.8287 -14.8287 -14.7775 -14.7775 -14.7497 -14.7497 -14.7149 -14.7149 -3.0824 -3.0824 0.6584 0.6584 5.4718 5.4718 5.5805 5.5805 5.9391 5.9391 7.2083 7.2083 7.9910 7.9910 8.5991 8.5991 9.3399 9.3399 9.8016 9.8016 k =-0.3103 0.1301-0.0000 ( 3570 PWs) bands (ev): -33.8737 -33.8737 -33.8597 -33.8597 -15.1784 -15.1784 -15.1279 -15.1279 -14.8267 -14.8267 -14.7788 -14.7788 -14.7490 -14.7490 -14.7166 -14.7166 -3.0703 -3.0703 0.6260 0.6260 5.4755 5.4755 5.6583 5.6583 5.9393 5.9393 7.1876 7.1876 7.9539 7.9539 8.6510 8.6510 9.3251 9.3251 9.8066 9.8066 k =-0.3276 0.1373-0.0000 ( 3564 PWs) bands (ev): -33.8732 -33.8732 -33.8603 -33.8603 -15.1764 -15.1764 -15.1299 -15.1299 -14.8245 -14.8245 -14.7803 -14.7803 -14.7482 -14.7482 -14.7184 -14.7184 -3.0586 -3.0586 0.5952 0.5952 5.4791 5.4791 5.7342 5.7342 5.9416 5.9416 7.1674 7.1674 7.9103 7.9103 8.7056 8.7056 9.3210 9.3210 9.8128 9.8128 k =-0.3448 0.1445-0.0000 ( 3570 PWs) bands (ev): -33.8727 -33.8727 -33.8608 -33.8608 -15.1744 -15.1744 -15.1320 -15.1320 -14.8224 -14.8224 -14.7819 -14.7819 -14.7473 -14.7473 -14.7201 -14.7201 -3.0474 -3.0474 0.5663 0.5663 5.4825 5.4825 5.8043 5.8043 5.9491 5.9491 7.1483 7.1483 7.8605 7.8605 8.7628 8.7628 9.3269 9.3269 9.8202 9.8202 k =-0.3621 0.1518-0.0000 ( 3568 PWs) bands (ev): -33.8722 -33.8722 -33.8613 -33.8613 -15.1723 -15.1723 -15.1342 -15.1342 -14.8202 -14.8202 -14.7836 -14.7836 -14.7463 -14.7463 -14.7219 -14.7219 -3.0370 -3.0370 0.5396 0.5396 5.4857 5.4857 5.8591 5.8591 5.9707 5.9707 7.1309 7.1309 7.8054 7.8054 8.8225 8.8225 9.3414 9.3414 9.8282 9.8282 k =-0.3793 0.1590-0.0000 ( 3568 PWs) bands (ev): -33.8716 -33.8716 -33.8618 -33.8618 -15.1702 -15.1702 -15.1364 -15.1364 -14.8179 -14.8179 -14.7854 -14.7854 -14.7452 -14.7452 -14.7237 -14.7237 -3.0273 -3.0273 0.5155 0.5155 5.4886 5.4886 5.8875 5.8875 6.0164 6.0164 7.1158 7.1158 7.7466 7.7466 8.8847 8.8847 9.3626 9.3626 9.8366 9.8366 k =-0.3966 0.1662-0.0000 ( 3564 PWs) bands (ev): -33.8711 -33.8711 -33.8624 -33.8624 -15.1680 -15.1680 -15.1386 -15.1386 -14.8156 -14.8156 -14.7872 -14.7872 -14.7441 -14.7441 -14.7255 -14.7255 -3.0187 -3.0187 0.4940 0.4940 5.4912 5.4912 5.8981 5.8981 6.0764 6.0764 7.1036 7.1036 7.6858 7.6858 8.9491 8.9491 9.3880 9.3880 9.8449 9.8449 k =-0.4138 0.1735-0.0000 ( 3556 PWs) bands (ev): -33.8706 -33.8706 -33.8629 -33.8629 -15.1658 -15.1658 -15.1408 -15.1408 -14.8132 -14.8132 -14.7892 -14.7892 -14.7428 -14.7428 -14.7272 -14.7272 -3.0111 -3.0111 0.4755 0.4755 5.4934 5.4934 5.9020 5.9020 6.1379 6.1379 7.0948 7.0948 7.6252 7.6252 9.0157 9.0157 9.4153 9.4153 9.8216 9.8221 k =-0.4310 0.1807-0.0000 ( 3558 PWs) bands (ev): -33.8701 -33.8701 -33.8634 -33.8634 -15.1636 -15.1636 -15.1430 -15.1430 -14.8109 -14.8109 -14.7913 -14.7913 -14.7415 -14.7415 -14.7290 -14.7290 -3.0048 -3.0048 0.4601 0.4601 5.4953 5.4953 5.9036 5.9036 6.1946 6.1946 7.0895 7.0895 7.5674 7.5674 9.0839 9.0839 9.4419 9.4419 9.7380 9.7380 k =-0.4483 0.1879-0.0000 ( 3554 PWs) bands (ev): -33.8697 -33.8697 -33.8638 -33.8638 -15.1614 -15.1614 -15.1452 -15.1452 -14.8086 -14.8086 -14.7933 -14.7933 -14.7401 -14.7401 -14.7307 -14.7307 -2.9997 -2.9997 0.4480 0.4480 5.4968 5.4968 5.9043 5.9043 6.2431 6.2431 7.0878 7.0878 7.5156 7.5156 9.1532 9.1532 9.4654 9.4654 9.6564 9.6564 k =-0.4655 0.1951-0.0000 ( 3552 PWs) bands (ev): -33.8693 -33.8693 -33.8641 -33.8641 -15.1594 -15.1594 -15.1473 -15.1473 -14.8064 -14.8064 -14.7953 -14.7953 -14.7387 -14.7387 -14.7324 -14.7324 -2.9961 -2.9961 0.4393 0.4393 5.4979 5.4979 5.9045 5.9045 6.2804 6.2804 7.0888 7.0888 7.4736 7.4736 9.2218 9.2218 9.4838 9.4838 9.5790 9.5790 k =-0.4828 0.2024-0.0000 ( 3554 PWs) bands (ev): -33.8690 -33.8690 -33.8644 -33.8644 -15.1578 -15.1578 -15.1489 -15.1489 -14.8046 -14.8046 -14.7971 -14.7971 -14.7372 -14.7372 -14.7340 -14.7340 -2.9938 -2.9938 0.4340 0.4340 5.4985 5.4985 5.9045 5.9045 6.3039 6.3039 7.0907 7.0907 7.4458 7.4458 9.2839 9.2839 9.4955 9.4955 9.5116 9.5116 k =-0.5000 0.2096-0.0000 ( 3560 PWs) bands (ev): -33.8689 -33.8689 -33.8645 -33.8645 -15.1571 -15.1571 -15.1496 -15.1496 -14.8038 -14.8038 -14.7979 -14.7979 -14.7359 -14.7359 -14.7354 -14.7354 -2.9931 -2.9931 0.4322 0.4322 5.4987 5.4987 5.9046 5.9046 6.3119 6.3119 7.0917 7.0917 7.4359 7.4359 9.3154 9.3154 9.4781 9.4781 9.4996 9.4996 k =-0.5000 0.2096-0.0000 ( 3560 PWs) bands (ev): -33.8689 -33.8689 -33.8645 -33.8645 -15.1571 -15.1571 -15.1496 -15.1496 -14.8038 -14.8038 -14.7979 -14.7979 -14.7359 -14.7359 -14.7354 -14.7354 -2.9931 -2.9931 0.4322 0.4322 5.4987 5.4987 5.9046 5.9046 6.3119 6.3119 7.0917 7.0917 7.4359 7.4359 9.3154 9.3154 9.4781 9.4781 9.4996 9.4996 k =-0.4929 0.2265-0.0000 ( 3558 PWs) bands (ev): -33.8689 -33.8689 -33.8645 -33.8645 -15.1571 -15.1571 -15.1496 -15.1496 -14.8038 -14.8038 -14.7979 -14.7979 -14.7362 -14.7362 -14.7351 -14.7351 -2.9926 -2.9926 0.4333 0.4333 5.4898 5.4898 5.9040 5.9040 6.3120 6.3120 7.0931 7.0931 7.4436 7.4436 9.3159 9.3159 9.3488 9.3488 9.6235 9.6235 k =-0.4858 0.2435-0.0000 ( 3554 PWs) bands (ev): -33.8690 -33.8690 -33.8645 -33.8645 -15.1572 -15.1572 -15.1496 -15.1496 -14.8040 -14.8040 -14.7978 -14.7978 -14.7366 -14.7366 -14.7346 -14.7346 -2.9910 -2.9910 0.4365 0.4365 5.4636 5.4636 5.9023 5.9023 6.3122 6.3122 7.0972 7.0972 7.4662 7.4662 9.2055 9.2055 9.3181 9.3181 9.7488 9.7488 k =-0.4787 0.2604-0.0000 ( 3554 PWs) bands (ev): -33.8690 -33.8690 -33.8644 -33.8644 -15.1575 -15.1575 -15.1495 -15.1495 -14.8043 -14.8043 -14.7977 -14.7977 -14.7371 -14.7371 -14.7341 -14.7341 -2.9884 -2.9884 0.4419 0.4419 5.4216 5.4216 5.8994 5.8994 6.3122 6.3122 7.1041 7.1041 7.5023 7.5023 9.0606 9.0606 9.3212 9.3212 9.8404 9.8404 k =-0.4716 0.2774-0.0000 ( 3562 PWs) bands (ev): -33.8690 -33.8690 -33.8644 -33.8644 -15.1578 -15.1578 -15.1495 -15.1495 -14.8047 -14.8047 -14.7977 -14.7977 -14.7375 -14.7375 -14.7337 -14.7337 -2.9848 -2.9848 0.4494 0.4494 5.3659 5.3659 5.8955 5.8955 6.3118 6.3118 7.1137 7.1137 7.5500 7.5500 8.9149 8.9149 9.3259 9.3259 9.8171 9.8171 k =-0.4645 0.2944-0.0000 ( 3558 PWs) bands (ev): -33.8690 -33.8690 -33.8643 -33.8643 -15.1582 -15.1582 -15.1494 -15.1494 -14.8051 -14.8051 -14.7976 -14.7976 -14.7380 -14.7380 -14.7331 -14.7331 -2.9802 -2.9802 0.4590 0.4590 5.2988 5.2988 5.8905 5.8905 6.3108 6.3108 7.1261 7.1261 7.6071 7.6071 8.7692 8.7692 9.3323 9.3323 9.7872 9.7872 k =-0.4574 0.3113-0.0000 ( 3558 PWs) bands (ev): -33.8691 -33.8691 -33.8643 -33.8643 -15.1587 -15.1587 -15.1494 -15.1494 -14.8056 -14.8056 -14.7975 -14.7975 -14.7384 -14.7384 -14.7326 -14.7326 -2.9747 -2.9747 0.4707 0.4707 5.2226 5.2226 5.8845 5.8845 6.3090 6.3090 7.1411 7.1411 7.6714 7.6714 8.6242 8.6242 9.3406 9.3406 9.7526 9.7526 k =-0.4503 0.3283-0.0000 ( 3548 PWs) bands (ev): -33.8691 -33.8691 -33.8642 -33.8642 -15.1592 -15.1592 -15.1493 -15.1493 -14.8062 -14.8062 -14.7974 -14.7974 -14.7389 -14.7389 -14.7320 -14.7320 -2.9682 -2.9682 0.4845 0.4845 5.1394 5.1394 5.8775 5.8775 6.3063 6.3063 7.1587 7.1587 7.7408 7.7408 8.4804 8.4804 9.3512 9.3512 9.7144 9.7144 k =-0.4432 0.3452-0.0000 ( 3556 PWs) bands (ev): -33.8692 -33.8692 -33.8641 -33.8641 -15.1598 -15.1598 -15.1493 -15.1493 -14.8068 -14.8068 -14.7974 -14.7974 -14.7394 -14.7394 -14.7315 -14.7315 -2.9608 -2.9608 0.5002 0.5002 5.0508 5.0508 5.8697 5.8697 6.3028 6.3028 7.1788 7.1788 7.8133 7.8133 8.3383 8.3383 9.3642 9.3642 9.6733 9.6733 k =-0.4360 0.3622-0.0000 ( 3566 PWs) bands (ev): -33.8692 -33.8692 -33.8640 -33.8640 -15.1604 -15.1604 -15.1493 -15.1493 -14.8075 -14.8075 -14.7975 -14.7975 -14.7399 -14.7399 -14.7309 -14.7309 -2.9527 -2.9527 0.5179 0.5179 4.9584 4.9584 5.8610 5.8610 6.2982 6.2982 7.2012 7.2012 7.8875 7.8875 8.1984 8.1984 9.3799 9.3799 9.6301 9.6301 k =-0.4289 0.3791-0.0000 ( 3570 PWs) bands (ev): -33.8693 -33.8693 -33.8639 -33.8639 -15.1611 -15.1611 -15.1492 -15.1492 -14.8082 -14.8082 -14.7975 -14.7975 -14.7404 -14.7404 -14.7303 -14.7303 -2.9438 -2.9438 0.5375 0.5375 4.8635 4.8635 5.8517 5.8517 6.2928 6.2928 7.2255 7.2255 7.9609 7.9609 8.0624 8.0624 9.3987 9.3987 9.5857 9.5857 k =-0.4218 0.3961-0.0000 ( 3570 PWs) bands (ev): -33.8694 -33.8694 -33.8638 -33.8638 -15.1618 -15.1618 -15.1492 -15.1492 -14.8089 -14.8089 -14.7976 -14.7976 -14.7408 -14.7408 -14.7297 -14.7297 -2.9342 -2.9342 0.5588 0.5588 4.7669 4.7669 5.8418 5.8418 6.2863 6.2863 7.2513 7.2513 7.9242 7.9242 8.0393 8.0393 9.4204 9.4204 9.5409 9.5409 k =-0.4147 0.4130-0.0000 ( 3564 PWs) bands (ev): -33.8695 -33.8695 -33.8637 -33.8637 -15.1626 -15.1626 -15.1492 -15.1492 -14.8097 -14.8097 -14.7976 -14.7976 -14.7413 -14.7413 -14.7291 -14.7291 -2.9240 -2.9240 0.5820 0.5820 4.6697 4.6697 5.8313 5.8313 6.2789 6.2789 7.2773 7.2773 7.7962 7.7962 8.1111 8.1111 9.4435 9.4435 9.4979 9.4979 k =-0.4076 0.4300-0.0000 ( 3564 PWs) bands (ev): -33.8695 -33.8695 -33.8635 -33.8635 -15.1634 -15.1634 -15.1491 -15.1491 -14.8105 -14.8105 -14.7977 -14.7977 -14.7418 -14.7418 -14.7284 -14.7284 -2.9132 -2.9132 0.6068 0.6068 4.5724 4.5724 5.8205 5.8205 6.2705 6.2705 7.3006 7.3006 7.6751 7.6751 8.1818 8.1818 9.4407 9.4407 9.4845 9.4845 k =-0.4005 0.4469-0.0000 ( 3564 PWs) bands (ev): -33.8696 -33.8696 -33.8634 -33.8634 -15.1642 -15.1642 -15.1492 -15.1492 -14.8112 -14.8112 -14.7978 -14.7978 -14.7423 -14.7423 -14.7277 -14.7277 -2.9020 -2.9020 0.6331 0.6331 4.4759 4.4759 5.8093 5.8093 6.2611 6.2611 7.3117 7.3117 7.5712 7.5712 8.2503 8.2503 9.3999 9.3999 9.5134 9.5134 k =-0.3934 0.4639-0.0000 ( 3560 PWs) bands (ev): -33.8697 -33.8697 -33.8632 -33.8632 -15.1650 -15.1650 -15.1491 -15.1491 -14.8120 -14.8120 -14.7979 -14.7979 -14.7428 -14.7428 -14.7270 -14.7270 -2.8905 -2.8905 0.6610 0.6610 4.3805 4.3805 5.7979 5.7979 6.2508 6.2508 7.2857 7.2857 7.5099 7.5099 8.3164 8.3164 9.3565 9.3565 9.5494 9.5494 k =-0.3863 0.4808-0.0000 ( 3568 PWs) bands (ev): -33.8699 -33.8699 -33.8630 -33.8630 -15.1659 -15.1659 -15.1491 -15.1491 -14.8129 -14.8129 -14.7981 -14.7981 -14.7433 -14.7433 -14.7263 -14.7263 -2.8787 -2.8787 0.6901 0.6901 4.2868 4.2868 5.7864 5.7864 6.2396 6.2396 7.2082 7.2082 7.5055 7.5055 8.3799 8.3799 9.3137 9.3137 9.5893 9.5893 k =-0.3792 0.4978-0.0000 ( 3566 PWs) bands (ev): -33.8700 -33.8700 -33.8629 -33.8629 -15.1668 -15.1668 -15.1491 -15.1491 -14.8137 -14.8137 -14.7982 -14.7982 -14.7438 -14.7438 -14.7256 -14.7256 -2.8668 -2.8668 0.7206 0.7206 4.1951 4.1951 5.7749 5.7749 6.2274 6.2274 7.1062 7.1062 7.5313 7.5313 8.4410 8.4410 9.2721 9.2721 9.6325 9.6325 k =-0.3721 0.5147-0.0000 ( 3564 PWs) bands (ev): -33.8701 -33.8701 -33.8627 -33.8627 -15.1677 -15.1677 -15.1490 -15.1490 -14.8146 -14.8146 -14.7983 -14.7983 -14.7444 -14.7444 -14.7249 -14.7249 -2.8548 -2.8548 0.7521 0.7521 4.1060 4.1060 5.7635 5.7635 6.2143 6.2143 6.9981 6.9981 7.5689 7.5689 8.5000 8.5000 9.2320 9.2320 9.6786 9.6786 k =-0.3650 0.5317-0.0000 ( 3560 PWs) bands (ev): -33.8702 -33.8702 -33.8625 -33.8625 -15.1686 -15.1686 -15.1490 -15.1490 -14.8154 -14.8154 -14.7984 -14.7984 -14.7449 -14.7449 -14.7241 -14.7241 -2.8429 -2.8429 0.7846 0.7846 4.0196 4.0196 5.7522 5.7522 6.2004 6.2004 6.8899 6.8899 7.6124 7.6124 8.5570 8.5570 9.1937 9.1937 9.7271 9.7271 k =-0.3579 0.5486-0.0000 ( 3554 PWs) bands (ev): -33.8703 -33.8703 -33.8623 -33.8623 -15.1695 -15.1695 -15.1489 -15.1489 -14.8163 -14.8163 -14.7985 -14.7985 -14.7454 -14.7454 -14.7233 -14.7233 -2.8312 -2.8312 0.8179 0.8179 3.9363 3.9363 5.7412 5.7412 6.1856 6.1856 6.7838 6.7838 7.6597 7.6597 8.6124 8.6124 9.1572 9.1572 9.7776 9.7776 k =-0.3508 0.5656-0.0000 ( 3548 PWs) bands (ev): -33.8705 -33.8705 -33.8621 -33.8621 -15.1704 -15.1704 -15.1488 -15.1488 -14.8172 -14.8172 -14.7986 -14.7986 -14.7459 -14.7459 -14.7225 -14.7225 -2.8199 -2.8199 0.8519 0.8519 3.8564 3.8564 5.7306 5.7306 6.1699 6.1699 6.6809 6.6809 7.7097 7.7097 8.6667 8.6667 9.1227 9.1227 9.8296 9.8296 k =-0.3437 0.5825-0.0000 ( 3551 PWs) bands (ev): -33.8706 -33.8706 -33.8619 -33.8619 -15.1713 -15.1713 -15.1486 -15.1486 -14.8181 -14.8181 -14.7986 -14.7986 -14.7464 -14.7464 -14.7217 -14.7217 -2.8089 -2.8089 0.8863 0.8863 3.7801 3.7801 5.7203 5.7203 6.1535 6.1535 6.5818 6.5818 7.7619 7.7619 8.7202 8.7202 9.0904 9.0904 9.8824 9.8824 k =-0.3366 0.5995-0.0000 ( 3557 PWs) bands (ev): -33.8708 -33.8708 -33.8617 -33.8617 -15.1723 -15.1723 -15.1485 -15.1485 -14.8191 -14.8191 -14.7986 -14.7986 -14.7470 -14.7470 -14.7209 -14.7209 -2.7986 -2.7986 0.9210 0.9210 3.7077 3.7077 5.7106 5.7106 6.1364 6.1364 6.4869 6.4869 7.8159 7.8159 8.7732 8.7732 9.0604 9.0604 9.9355 9.9355 k =-0.3295 0.6164-0.0000 ( 3551 PWs) bands (ev): -33.8710 -33.8710 -33.8615 -33.8615 -15.1732 -15.1732 -15.1482 -15.1482 -14.8200 -14.8200 -14.7986 -14.7986 -14.7475 -14.7475 -14.7201 -14.7201 -2.7889 -2.7889 0.9558 0.9558 3.6395 3.6395 5.7014 5.7014 6.1185 6.1185 6.3967 6.3967 7.8714 7.8714 8.8260 8.8260 9.0328 9.0328 9.9868 9.9869 k =-0.3224 0.6334-0.0000 ( 3547 PWs) bands (ev): -33.8711 -33.8711 -33.8612 -33.8612 -15.1741 -15.1741 -15.1480 -15.1480 -14.8209 -14.8209 -14.7985 -14.7985 -14.7480 -14.7480 -14.7193 -14.7193 -2.7800 -2.7800 0.9905 0.9905 3.5756 3.5756 5.6928 5.6928 6.0998 6.0998 6.3115 6.3115 7.9281 7.9281 8.8788 8.8788 9.0077 9.0077 9.9997 9.9997 k =-0.3152 0.6503-0.0000 ( 3547 PWs) bands (ev): -33.8713 -33.8713 -33.8610 -33.8610 -15.1750 -15.1750 -15.1477 -15.1477 -14.8219 -14.8219 -14.7983 -14.7983 -14.7485 -14.7485 -14.7185 -14.7185 -2.7720 -2.7720 1.0249 1.0249 3.5162 3.5162 5.6848 5.6848 6.0800 6.0800 6.2320 6.2320 7.9856 7.9856 8.9316 8.9316 8.9856 8.9856 9.9825 9.9825 k =-0.3081 0.6673-0.0000 ( 3547 PWs) bands (ev): -33.8715 -33.8715 -33.8608 -33.8608 -15.1760 -15.1760 -15.1474 -15.1474 -14.8228 -14.8228 -14.7982 -14.7982 -14.7491 -14.7491 -14.7176 -14.7176 -2.7651 -2.7651 1.0587 1.0587 3.4615 3.4615 5.6775 5.6775 6.0585 6.0585 6.1593 6.1593 8.0436 8.0436 8.9619 8.9619 8.9890 8.9890 9.9637 9.9637 k =-0.3010 0.6842-0.0000 ( 3553 PWs) bands (ev): -33.8717 -33.8717 -33.8606 -33.8606 -15.1769 -15.1769 -15.1470 -15.1470 -14.8238 -14.8238 -14.7979 -14.7979 -14.7496 -14.7496 -14.7168 -14.7168 -2.7593 -2.7593 1.0918 1.0918 3.4117 3.4117 5.6709 5.6709 6.0326 6.0326 6.0962 6.0962 8.1017 8.1017 8.9460 8.9460 9.0418 9.0418 9.9442 9.9442 k =-0.2939 0.7012-0.0000 ( 3537 PWs) bands (ev): -33.8718 -33.8718 -33.8603 -33.8603 -15.1778 -15.1778 -15.1464 -15.1464 -14.8248 -14.8248 -14.7976 -14.7976 -14.7501 -14.7501 -14.7159 -14.7159 -2.7547 -2.7547 1.1238 1.1238 3.3669 3.3669 5.6649 5.6649 5.9957 5.9957 6.0498 6.0498 8.1593 8.1593 8.9314 8.9314 9.0970 9.0970 9.9244 9.9244 k =-0.2939 0.7012-0.0000 ( 3537 PWs) bands (ev): -33.8718 -33.8718 -33.8603 -33.8603 -15.1778 -15.1778 -15.1464 -15.1464 -14.8248 -14.8248 -14.7976 -14.7976 -14.7501 -14.7501 -14.7159 -14.7159 -2.7547 -2.7547 1.1238 1.1238 3.3669 3.3669 5.6649 5.6649 5.9957 5.9957 6.0498 6.0498 8.1593 8.1593 8.9314 8.9314 9.0970 9.0970 9.9244 9.9244 k =-0.2939 0.7012 0.0183 ( 3553 PWs) bands (ev): -33.8718 -33.8718 -33.8603 -33.8603 -15.1778 -15.1778 -15.1465 -15.1465 -14.8248 -14.8248 -14.7976 -14.7976 -14.7502 -14.7502 -14.7160 -14.7160 -2.7535 -2.7535 1.1231 1.1231 3.3684 3.3684 5.6497 5.6497 5.9984 5.9984 6.0537 6.0537 8.1691 8.1691 8.9024 8.9024 9.1244 9.1244 9.9143 9.9143 k =-0.2939 0.7012 0.0367 ( 3553 PWs) bands (ev): -33.8718 -33.8718 -33.8603 -33.8603 -15.1778 -15.1778 -15.1466 -15.1466 -14.8249 -14.8249 -14.7976 -14.7976 -14.7503 -14.7503 -14.7162 -14.7162 -2.7499 -2.7499 1.1211 1.1211 3.3727 3.3727 5.6078 5.6078 6.0034 6.0034 6.0655 6.0655 8.1977 8.1977 8.8420 8.8420 9.1802 9.1802 9.8873 9.8873 k =-0.2939 0.7012 0.0550 ( 3556 PWs) bands (ev): -33.8718 -33.8718 -33.8603 -33.8603 -15.1778 -15.1778 -15.1467 -15.1467 -14.8251 -14.8251 -14.7976 -14.7976 -14.7505 -14.7505 -14.7165 -14.7165 -2.7439 -2.7439 1.1177 1.1177 3.3799 3.3799 5.5458 5.5458 6.0067 6.0067 6.0836 6.0836 8.2435 8.2435 8.7719 8.7719 9.2425 9.2425 9.8495 9.8495 k =-0.2939 0.7012 0.0733 ( 3552 PWs) bands (ev): -33.8717 -33.8717 -33.8603 -33.8603 -15.1778 -15.1778 -15.1469 -15.1469 -14.8254 -14.8254 -14.7976 -14.7976 -14.7507 -14.7507 -14.7168 -14.7168 -2.7354 -2.7354 1.1128 1.1128 3.3900 3.3900 5.4698 5.4698 6.0078 6.0078 6.1045 6.1045 8.3041 8.3041 8.6984 8.6984 9.3052 9.3052 9.8060 9.8060 k =-0.2939 0.7012 0.0916 ( 3556 PWs) bands (ev): -33.8716 -33.8716 -33.8603 -33.8603 -15.1778 -15.1778 -15.1471 -15.1471 -14.8257 -14.8257 -14.7975 -14.7975 -14.7510 -14.7510 -14.7173 -14.7173 -2.7246 -2.7246 1.1063 1.1063 3.4029 3.4029 5.3840 5.3840 6.0072 6.0072 6.1256 6.1256 8.3762 8.3762 8.6239 8.6239 9.3662 9.3662 9.7600 9.7600 k =-0.2939 0.7012 0.1100 ( 3560 PWs) bands (ev): -33.8715 -33.8715 -33.8603 -33.8603 -15.1778 -15.1778 -15.1474 -15.1474 -14.8261 -14.8261 -14.7975 -14.7975 -14.7513 -14.7513 -14.7179 -14.7179 -2.7113 -2.7113 1.0981 1.0981 3.4186 3.4186 5.2917 5.2917 6.0053 6.0053 6.1456 6.1456 8.4543 8.4543 8.5512 8.5512 9.4245 9.4245 9.7139 9.7139 k =-0.2939 0.7012 0.1283 ( 3560 PWs) bands (ev): -33.8714 -33.8714 -33.8603 -33.8603 -15.1778 -15.1778 -15.1478 -15.1478 -14.8265 -14.8265 -14.7975 -14.7975 -14.7517 -14.7517 -14.7185 -14.7185 -2.6956 -2.6956 1.0880 1.0880 3.4372 3.4372 5.1950 5.1950 6.0021 6.0021 6.1642 6.1642 8.4653 8.4653 8.5508 8.5508 9.4791 9.4791 9.6698 9.6698 k =-0.2939 0.7012 0.1466 ( 3556 PWs) bands (ev): -33.8712 -33.8712 -33.8603 -33.8603 -15.1778 -15.1778 -15.1481 -15.1481 -14.8270 -14.8270 -14.7975 -14.7975 -14.7522 -14.7522 -14.7192 -14.7192 -2.6776 -2.6776 1.0758 1.0758 3.4585 3.4585 5.0961 5.0961 5.9975 5.9975 6.1814 6.1814 8.3945 8.3945 8.6340 8.6340 9.5292 9.5292 9.6298 9.6298 k =-0.2939 0.7012 0.1649 ( 3559 PWs) bands (ev): -33.8711 -33.8711 -33.8603 -33.8603 -15.1778 -15.1778 -15.1485 -15.1485 -14.8275 -14.8275 -14.7974 -14.7974 -14.7527 -14.7527 -14.7200 -14.7200 -2.6571 -2.6571 1.0614 1.0614 3.4825 3.4825 4.9964 4.9964 5.9915 5.9915 6.1971 6.1971 8.3222 8.3222 8.7167 8.7167 9.5695 9.5695 9.6014 9.6014 k =-0.2939 0.7012 0.1833 ( 3556 PWs) bands (ev): -33.8709 -33.8709 -33.8603 -33.8603 -15.1778 -15.1778 -15.1490 -15.1490 -14.8280 -14.8280 -14.7974 -14.7974 -14.7532 -14.7532 -14.7209 -14.7209 -2.6342 -2.6342 1.0444 1.0444 3.5093 3.5093 4.8975 4.8975 5.9837 5.9837 6.2115 6.2115 8.2514 8.2514 8.7916 8.7916 9.5638 9.5638 9.6232 9.6232 k =-0.2939 0.7012 0.2016 ( 3552 PWs) bands (ev): -33.8707 -33.8707 -33.8603 -33.8603 -15.1777 -15.1777 -15.1495 -15.1495 -14.8286 -14.8286 -14.7975 -14.7975 -14.7538 -14.7538 -14.7218 -14.7218 -2.6090 -2.6090 1.0246 1.0246 3.5387 3.5387 4.8004 4.8004 5.9739 5.9739 6.2246 6.2246 8.1829 8.1829 8.8530 8.8530 9.5525 9.5525 9.6586 9.6586 k =-0.2939 0.7012 0.2199 ( 3557 PWs) bands (ev): -33.8705 -33.8705 -33.8603 -33.8603 -15.1777 -15.1777 -15.1501 -15.1501 -14.8292 -14.8292 -14.7975 -14.7975 -14.7544 -14.7544 -14.7228 -14.7228 -2.5814 -2.5814 1.0018 1.0018 3.5707 3.5707 4.7062 4.7062 5.9617 5.9617 6.2362 6.2362 8.1174 8.1174 8.8961 8.8961 9.5559 9.5559 9.6905 9.6905 k =-0.2939 0.7012 0.2382 ( 3557 PWs) bands (ev): -33.8703 -33.8703 -33.8603 -33.8603 -15.1777 -15.1777 -15.1507 -15.1507 -14.8298 -14.8298 -14.7976 -14.7976 -14.7551 -14.7551 -14.7239 -14.7239 -2.5514 -2.5514 0.9757 0.9757 3.6052 3.6052 4.6159 4.6159 5.9470 5.9470 6.2464 6.2464 8.0555 8.0555 8.9186 8.9186 9.5761 9.5761 9.7182 9.7182 k =-0.2939 0.7012 0.2566 ( 3551 PWs) bands (ev): -33.8701 -33.8701 -33.8603 -33.8603 -15.1777 -15.1777 -15.1514 -15.1514 -14.8305 -14.8305 -14.7977 -14.7977 -14.7557 -14.7557 -14.7249 -14.7249 -2.5191 -2.5191 0.9460 0.9460 3.6422 3.6422 4.5302 4.5302 5.9292 5.9292 6.2548 6.2548 7.9976 7.9976 8.9218 8.9218 9.6109 9.6109 9.7418 9.7418 k =-0.2939 0.7012 0.2749 ( 3550 PWs) bands (ev): -33.8698 -33.8698 -33.8603 -33.8603 -15.1777 -15.1777 -15.1521 -15.1521 -14.8311 -14.8311 -14.7978 -14.7978 -14.7564 -14.7564 -14.7260 -14.7260 -2.4844 -2.4844 0.9126 0.9126 3.6816 3.6816 4.4498 4.4498 5.9082 5.9082 6.2613 6.2613 7.9443 7.9443 8.9098 8.9098 9.6556 9.6556 9.7621 9.7621 k =-0.2939 0.7012 0.2932 ( 3556 PWs) bands (ev): -33.8696 -33.8696 -33.8603 -33.8603 -15.1777 -15.1777 -15.1528 -15.1528 -14.8317 -14.8317 -14.7981 -14.7981 -14.7571 -14.7571 -14.7271 -14.7271 -2.4473 -2.4473 0.8751 0.8751 3.7233 3.7233 4.3754 4.3754 5.8837 5.8837 6.2657 6.2657 7.8959 7.8959 8.8874 8.8874 9.7049 9.7049 9.7795 9.7795 k =-0.2939 0.7012 0.3115 ( 3558 PWs) bands (ev): -33.8693 -33.8693 -33.8603 -33.8603 -15.1777 -15.1777 -15.1536 -15.1536 -14.8324 -14.8324 -14.7983 -14.7983 -14.7579 -14.7579 -14.7282 -14.7282 -2.4080 -2.4080 0.8336 0.8336 3.7672 3.7672 4.3073 4.3073 5.8555 5.8555 6.2675 6.2675 7.8529 7.8529 8.8583 8.8583 9.7545 9.7545 9.7954 9.7954 k =-0.2939 0.7012 0.3299 ( 3556 PWs) bands (ev): -33.8691 -33.8691 -33.8603 -33.8603 -15.1777 -15.1777 -15.1544 -15.1544 -14.8330 -14.8330 -14.7986 -14.7986 -14.7586 -14.7586 -14.7293 -14.7293 -2.3663 -2.3663 0.7878 0.7878 3.8132 3.8132 4.2460 4.2460 5.8235 5.8235 6.2666 6.2666 7.8155 7.8155 8.8254 8.8254 9.7961 9.7961 9.8159 9.8159 k =-0.2939 0.7012 0.3482 ( 3550 PWs) bands (ev): -33.8688 -33.8688 -33.8603 -33.8603 -15.1777 -15.1777 -15.1552 -15.1552 -14.8335 -14.8335 -14.7989 -14.7989 -14.7592 -14.7592 -14.7303 -14.7303 -2.3223 -2.3223 0.7377 0.7377 3.8611 3.8611 4.1918 4.1918 5.7875 5.7875 6.2626 6.2626 7.7840 7.7840 8.7905 8.7905 9.8145 9.8145 9.8555 9.8555 k =-0.2939 0.7012 0.3665 ( 3554 PWs) bands (ev): -33.8685 -33.8685 -33.8603 -33.8603 -15.1777 -15.1777 -15.1561 -15.1561 -14.8341 -14.8341 -14.7993 -14.7993 -14.7600 -14.7600 -14.7314 -14.7314 -2.2760 -2.2760 0.6833 0.6833 3.9108 3.9108 4.1449 4.1449 5.7478 5.7478 6.2553 6.2553 7.7583 7.7583 8.7548 8.7548 9.8262 9.8262 9.8973 9.8973 k =-0.2939 0.7012 0.3849 ( 3558 PWs) bands (ev): -33.8682 -33.8682 -33.8604 -33.8604 -15.1777 -15.1777 -15.1570 -15.1570 -14.8346 -14.8346 -14.7997 -14.7997 -14.7607 -14.7607 -14.7324 -14.7324 -2.2275 -2.2275 0.6248 0.6248 3.9615 3.9615 4.1060 4.1060 5.7044 5.7044 6.2443 6.2443 7.7386 7.7386 8.7193 8.7193 9.8367 9.8367 9.9363 9.9363 k =-0.2939 0.7012 0.4032 ( 3556 PWs) bands (ev): -33.8679 -33.8679 -33.8604 -33.8604 -15.1777 -15.1777 -15.1579 -15.1579 -14.8351 -14.8351 -14.8002 -14.8002 -14.7613 -14.7613 -14.7334 -14.7334 -2.1767 -2.1767 0.5622 0.5622 4.0110 4.0110 4.0773 4.0773 5.6577 5.6577 6.2294 6.2294 7.7246 7.7246 8.6842 8.6842 9.8468 9.8468 9.9723 9.9723 k =-0.2939 0.7012 0.4215 ( 3556 PWs) bands (ev): -33.8676 -33.8676 -33.8605 -33.8605 -15.1777 -15.1777 -15.1588 -15.1588 -14.8356 -14.8356 -14.8007 -14.8007 -14.7620 -14.7620 -14.7344 -14.7344 -2.1236 -2.1236 0.4958 0.4958 4.0336 4.0336 4.0839 4.0839 5.6079 5.6079 6.2105 6.2105 7.7162 7.7162 8.6501 8.6501 9.8570 9.8570 10.0057 10.0057 k =-0.2939 0.7012 0.4398 ( 3556 PWs) bands (ev): -33.8673 -33.8673 -33.8605 -33.8605 -15.1777 -15.1777 -15.1598 -15.1598 -14.8360 -14.8360 -14.8012 -14.8012 -14.7626 -14.7626 -14.7353 -14.7353 -2.0684 -2.0684 0.4259 0.4259 4.0215 4.0215 4.1334 4.1334 5.5556 5.5556 6.1874 6.1874 7.7131 7.7131 8.6168 8.6168 9.8676 9.8676 10.0369 10.0369 k =-0.2939 0.7012 0.4582 ( 3552 PWs) bands (ev): -33.8670 -33.8670 -33.8606 -33.8606 -15.1776 -15.1776 -15.1607 -15.1607 -14.8363 -14.8363 -14.8018 -14.8018 -14.7632 -14.7632 -14.7361 -14.7361 -2.0110 -2.0110 0.3526 0.3526 4.0109 4.0109 4.1892 4.1892 5.5014 5.5014 6.1600 6.1600 7.7150 7.7150 8.5845 8.5845 9.8788 9.8788 10.0666 10.0666 k =-0.2939 0.7012 0.4765 ( 3547 PWs) bands (ev): -33.8666 -33.8666 -33.8606 -33.8606 -15.1775 -15.1775 -15.1617 -15.1617 -14.8366 -14.8366 -14.8024 -14.8024 -14.7637 -14.7637 -14.7369 -14.7369 -1.9515 -1.9515 0.2764 0.2764 4.0059 4.0059 4.2463 4.2463 5.4458 5.4458 6.1285 6.1285 7.7215 7.7215 8.5529 8.5529 9.8908 9.8908 10.0953 10.0953 k =-0.2939 0.7012 0.4948 ( 3555 PWs) bands (ev): -33.8663 -33.8663 -33.8607 -33.8607 -15.1775 -15.1775 -15.1626 -15.1626 -14.8369 -14.8369 -14.8031 -14.8031 -14.7643 -14.7643 -14.7377 -14.7377 -1.8898 -1.8898 0.1976 0.1976 4.0067 4.0067 4.3039 4.3039 5.3897 5.3897 6.0927 6.0927 7.7322 7.7322 8.5220 8.5220 9.9037 9.9037 10.1232 10.1232 k =-0.2939 0.7012 0.5131 ( 3559 PWs) bands (ev): -33.8660 -33.8660 -33.8608 -33.8608 -15.1774 -15.1774 -15.1636 -15.1636 -14.8372 -14.8372 -14.8037 -14.8037 -14.7649 -14.7649 -14.7384 -14.7384 -1.8261 -1.8261 0.1165 0.1165 4.0132 4.0132 4.3612 4.3612 5.3340 5.3340 6.0529 6.0529 7.7468 7.7468 8.4915 8.4915 9.9177 9.9177 10.1505 10.1505 k =-0.2939 0.7012 0.5315 ( 3560 PWs) bands (ev): -33.8657 -33.8657 -33.8609 -33.8609 -15.1773 -15.1773 -15.1645 -15.1645 -14.8374 -14.8374 -14.8043 -14.8043 -14.7653 -14.7653 -14.7390 -14.7390 -1.7603 -1.7603 0.0335 0.0335 4.0252 4.0252 4.4170 4.4170 5.2799 5.2799 6.0093 6.0093 7.7648 7.7648 8.4612 8.4612 9.9330 9.9330 10.1769 10.1769 k =-0.2939 0.7012 0.5498 ( 3562 PWs) bands (ev): -33.8654 -33.8654 -33.8610 -33.8610 -15.1772 -15.1772 -15.1655 -15.1655 -14.8375 -14.8375 -14.8050 -14.8050 -14.7658 -14.7658 -14.7396 -14.7396 -1.6925 -1.6925 -0.0511 -0.0511 4.0422 4.0422 4.4700 4.4700 5.2291 5.2291 5.9621 5.9621 7.7860 7.7860 8.4308 8.4308 9.9494 9.9494 10.2020 10.2020 k =-0.2939 0.7012 0.5681 ( 3566 PWs) bands (ev): -33.8651 -33.8651 -33.8611 -33.8611 -15.1771 -15.1771 -15.1664 -15.1664 -14.8376 -14.8376 -14.8056 -14.8056 -14.7662 -14.7662 -14.7401 -14.7401 -1.6228 -1.6228 -0.1369 -0.1369 4.0640 4.0640 4.5180 4.5180 5.1838 5.1838 5.9115 5.9115 7.8100 7.8100 8.4001 8.4001 9.9671 9.9671 10.2247 10.2247 k =-0.2939 0.7012 0.5864 ( 3566 PWs) bands (ev): -33.8648 -33.8648 -33.8613 -33.8613 -15.1769 -15.1769 -15.1672 -15.1672 -14.8377 -14.8377 -14.8062 -14.8062 -14.7666 -14.7666 -14.7405 -14.7405 -1.5512 -1.5512 -0.2236 -0.2236 4.0901 4.0901 4.5582 4.5582 5.1473 5.1473 5.8580 5.8580 7.8364 7.8364 8.3690 8.3690 9.9862 9.9862 10.2436 10.2436 k =-0.2939 0.7012 0.6048 ( 3562 PWs) bands (ev): -33.8645 -33.8645 -33.8614 -33.8614 -15.1767 -15.1767 -15.1681 -15.1681 -14.8378 -14.8378 -14.8067 -14.8067 -14.7669 -14.7669 -14.7409 -14.7409 -1.4778 -1.4778 -0.3110 -0.3110 4.1203 4.1203 4.5863 4.5863 5.1238 5.1238 5.8017 5.8017 7.8648 7.8648 8.3373 8.3373 10.0065 10.0065 10.2571 10.2571 k =-0.2939 0.7012 0.6231 ( 3562 PWs) bands (ev): -33.8642 -33.8642 -33.8616 -33.8616 -15.1765 -15.1765 -15.1689 -15.1689 -14.8378 -14.8378 -14.8073 -14.8073 -14.7672 -14.7672 -14.7412 -14.7412 -1.4026 -1.4026 -0.3987 -0.3987 4.1541 4.1541 4.5987 4.5987 5.1173 5.1173 5.7432 5.7432 7.8951 7.8951 8.3050 8.3050 10.0281 10.0281 10.2637 10.2637 k =-0.2939 0.7012 0.6414 ( 3568 PWs) bands (ev): -33.8640 -33.8640 -33.8617 -33.8617 -15.1762 -15.1762 -15.1696 -15.1696 -14.8378 -14.8378 -14.8077 -14.8077 -14.7675 -14.7675 -14.7415 -14.7415 -1.3257 -1.3257 -0.4865 -0.4865 4.1913 4.1913 4.5935 4.5935 5.1296 5.1296 5.6828 5.6828 7.9269 7.9269 8.2720 8.2720 10.0509 10.0509 10.2628 10.2628 k =-0.2939 0.7012 0.6598 ( 3572 PWs) bands (ev): -33.8637 -33.8637 -33.8619 -33.8619 -15.1759 -15.1759 -15.1703 -15.1703 -14.8378 -14.8378 -14.8081 -14.8081 -14.7677 -14.7677 -14.7418 -14.7418 -1.2472 -1.2472 -0.5741 -0.5741 4.2313 4.2313 4.5728 4.5728 5.1588 5.1588 5.6209 5.6209 7.9598 7.9598 8.2383 8.2383 10.0746 10.0746 10.2549 10.2549 k =-0.2939 0.7012 0.6781 ( 3572 PWs) bands (ev): -33.8635 -33.8635 -33.8621 -33.8621 -15.1757 -15.1757 -15.1709 -15.1709 -14.8378 -14.8378 -14.8084 -14.8084 -14.7679 -14.7679 -14.7419 -14.7419 -1.1672 -1.1672 -0.6613 -0.6613 4.2737 4.2737 4.5405 4.5405 5.2009 5.2009 5.5580 5.5580 7.9937 7.9937 8.2041 8.2041 10.0990 10.0990 10.2409 10.2409 k =-0.2939 0.7012 0.6964 ( 3574 PWs) bands (ev): -33.8632 -33.8632 -33.8623 -33.8623 -15.1754 -15.1754 -15.1714 -15.1714 -14.8378 -14.8378 -14.8086 -14.8086 -14.7680 -14.7680 -14.7421 -14.7421 -1.0857 -1.0857 -0.7480 -0.7480 4.3180 4.3180 4.5010 4.5010 5.2520 5.2520 5.4946 5.4946 8.0282 8.0282 8.1694 8.1694 10.1238 10.1238 10.2226 10.2226 k =-0.2939 0.7012 0.7147 ( 3574 PWs) bands (ev): -33.8630 -33.8630 -33.8625 -33.8625 -15.1752 -15.1752 -15.1718 -15.1718 -14.8378 -14.8378 -14.8088 -14.8088 -14.7681 -14.7681 -14.7421 -14.7421 -1.0029 -1.0029 -0.8339 -0.8339 4.3633 4.3633 4.4576 4.4576 5.3086 5.3086 5.4314 5.4314 8.0631 8.0631 8.1345 8.1345 10.1480 10.1480 10.2018 10.2018 k =-0.2939 0.7012 0.7331 ( 3576 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1751 -15.1751 -15.1719 -15.1719 -14.8378 -14.8378 -14.8088 -14.8088 -14.7681 -14.7681 -14.7422 -14.7422 -0.9201 -0.9201 -0.9178 -0.9178 4.4008 4.4008 4.4207 4.4207 5.3649 5.3649 5.3731 5.3731 8.0932 8.0932 8.1043 8.1043 10.1643 10.1643 10.1866 10.1866 k =-0.2939 0.7012 0.7331 ( 3576 PWs) bands (ev): -33.8627 -33.8627 -33.8627 -33.8627 -15.1751 -15.1751 -15.1719 -15.1719 -14.8378 -14.8378 -14.8088 -14.8088 -14.7681 -14.7681 -14.7422 -14.7422 -0.9201 -0.9201 -0.9178 -0.9178 4.4008 4.4008 4.4207 4.4207 5.3649 5.3649 5.3731 5.3731 8.0932 8.0932 8.1043 8.1043 10.1643 10.1643 10.1866 10.1866 k =-0.3010 0.6842 0.7331 ( 3580 PWs) bands (ev): -33.8628 -33.8628 -33.8628 -33.8628 -15.1752 -15.1752 -15.1721 -15.1721 -14.8381 -14.8381 -14.8095 -14.8095 -14.7670 -14.7670 -14.7414 -14.7414 -0.9190 -0.9190 -0.9166 -0.9166 4.3670 4.3670 4.3864 4.3864 5.3887 5.3887 5.3966 5.3966 8.1269 8.1269 8.1378 8.1378 10.0976 10.0976 10.1195 10.1195 k =-0.3081 0.6673 0.7331 ( 3576 PWs) bands (ev): -33.8628 -33.8628 -33.8628 -33.8628 -15.1753 -15.1753 -15.1722 -15.1722 -14.8383 -14.8383 -14.8102 -14.8102 -14.7659 -14.7659 -14.7407 -14.7407 -0.9183 -0.9183 -0.9158 -0.9158 4.3330 4.3330 4.3518 4.3518 5.4151 5.4151 5.4225 5.4225 8.1629 8.1629 8.1736 8.1736 10.0280 10.0280 10.0494 10.0494 k =-0.3152 0.6503 0.7331 ( 3584 PWs) bands (ev): -33.8628 -33.8628 -33.8628 -33.8628 -15.1753 -15.1753 -15.1724 -15.1724 -14.8384 -14.8384 -14.8108 -14.8108 -14.7648 -14.7648 -14.7400 -14.7400 -0.9179 -0.9179 -0.9154 -0.9154 4.2988 4.2988 4.3169 4.3169 5.4441 5.4441 5.4509 5.4509 8.2013 8.2013 8.2117 8.2117 9.9564 9.9564 9.9775 9.9775 k =-0.3224 0.6334 0.7331 ( 3584 PWs) bands (ev): -33.8628 -33.8628 -33.8628 -33.8628 -15.1754 -15.1754 -15.1726 -15.1726 -14.8385 -14.8385 -14.8115 -14.8115 -14.7637 -14.7637 -14.7393 -14.7393 -0.9179 -0.9179 -0.9154 -0.9154 4.2646 4.2646 4.2820 4.2820 5.4755 5.4755 5.4817 5.4817 8.2420 8.2420 8.2524 8.2524 9.8837 9.8837 9.9044 9.9044 k =-0.3295 0.6164 0.7331 ( 3580 PWs) bands (ev): -33.8628 -33.8628 -33.8628 -33.8628 -15.1754 -15.1754 -15.1727 -15.1727 -14.8385 -14.8385 -14.8121 -14.8121 -14.7625 -14.7625 -14.7387 -14.7387 -0.9182 -0.9182 -0.9156 -0.9156 4.2306 4.2306 4.2472 4.2472 5.5093 5.5093 5.5148 5.5148 8.2853 8.2853 8.2957 8.2957 9.8103 9.8103 9.8307 9.8307 k =-0.3366 0.5995 0.7331 ( 3572 PWs) bands (ev): -33.8629 -33.8629 -33.8629 -33.8629 -15.1754 -15.1754 -15.1728 -15.1728 -14.8384 -14.8384 -14.8127 -14.8127 -14.7613 -14.7613 -14.7381 -14.7381 -0.9188 -0.9188 -0.9162 -0.9162 4.1969 4.1969 4.2127 4.2127 5.5453 5.5453 5.5501 5.5501 8.3311 8.3311 8.3415 8.3415 9.7366 9.7366 9.7566 9.7566 k =-0.3437 0.5825 0.7331 ( 3568 PWs) bands (ev): -33.8629 -33.8629 -33.8629 -33.8629 -15.1754 -15.1754 -15.1729 -15.1729 -14.8383 -14.8383 -14.8133 -14.8133 -14.7601 -14.7601 -14.7375 -14.7375 -0.9197 -0.9197 -0.9171 -0.9171 4.1635 4.1635 4.1785 4.1785 5.5835 5.5835 5.5875 5.5875 8.3793 8.3793 8.3899 8.3899 9.6629 9.6629 9.6825 9.6825 k =-0.3508 0.5656 0.7331 ( 3572 PWs) bands (ev): -33.8629 -33.8629 -33.8629 -33.8629 -15.1754 -15.1754 -15.1730 -15.1730 -14.8382 -14.8382 -14.8140 -14.8140 -14.7589 -14.7589 -14.7370 -14.7370 -0.9208 -0.9208 -0.9183 -0.9183 4.1307 4.1307 4.1450 4.1450 5.6236 5.6236 5.6268 5.6268 8.4300 8.4300 8.4409 8.4409 9.5894 9.5894 9.6085 9.6085 k =-0.3579 0.5486 0.7331 ( 3566 PWs) bands (ev): -33.8629 -33.8629 -33.8629 -33.8629 -15.1754 -15.1754 -15.1731 -15.1731 -14.8380 -14.8380 -14.8146 -14.8146 -14.7577 -14.7577 -14.7364 -14.7364 -0.9222 -0.9222 -0.9196 -0.9196 4.0986 4.0986 4.1121 4.1121 5.6656 5.6656 5.6681 5.6681 8.4831 8.4831 8.4944 8.4944 9.5165 9.5165 9.5348 9.5348 k =-0.3650 0.5317 0.7331 ( 3570 PWs) bands (ev): -33.8630 -33.8630 -33.8630 -33.8630 -15.1754 -15.1754 -15.1732 -15.1732 -14.8377 -14.8377 -14.8152 -14.8152 -14.7565 -14.7565 -14.7360 -14.7360 -0.9237 -0.9237 -0.9212 -0.9212 4.0674 4.0674 4.0800 4.0800 5.7093 5.7093 5.7109 5.7109 8.5384 8.5384 8.5504 8.5504 9.4444 9.4444 9.4618 9.4618 k =-0.3721 0.5147 0.7331 ( 3590 PWs) bands (ev): -33.8630 -33.8630 -33.8630 -33.8630 -15.1755 -15.1755 -15.1734 -15.1734 -14.8375 -14.8375 -14.8159 -14.8159 -14.7554 -14.7554 -14.7356 -14.7356 -0.9255 -0.9255 -0.9230 -0.9230 4.0370 4.0370 4.0488 4.0488 5.7544 5.7544 5.7553 5.7553 8.5958 8.5958 8.6086 8.6086 9.3734 9.3734 9.3897 9.3897 k =-0.3792 0.4978 0.7331 ( 3578 PWs) bands (ev): -33.8630 -33.8630 -33.8630 -33.8630 -15.1754 -15.1754 -15.1734 -15.1734 -14.8371 -14.8371 -14.8164 -14.8164 -14.7541 -14.7541 -14.7352 -14.7352 -0.9273 -0.9273 -0.9249 -0.9249 4.0077 4.0077 4.0187 4.0187 5.8008 5.8008 5.8010 5.8010 8.6549 8.6549 8.6689 8.6689 9.3042 9.3042 9.3189 9.3189 k =-0.3863 0.4808 0.7331 ( 3578 PWs) bands (ev): -33.8631 -33.8631 -33.8631 -33.8631 -15.1754 -15.1754 -15.1735 -15.1735 -14.8367 -14.8367 -14.8170 -14.8170 -14.7530 -14.7530 -14.7349 -14.7349 -0.9293 -0.9293 -0.9269 -0.9269 3.9795 3.9795 3.9898 3.9898 5.8478 5.8478 5.8483 5.8483 8.7148 8.7148 8.7307 8.7307 9.2376 9.2376 9.2500 9.2500 k =-0.3934 0.4639 0.7331 ( 3570 PWs) bands (ev): -33.8631 -33.8631 -33.8631 -33.8631 -15.1753 -15.1753 -15.1736 -15.1736 -14.8363 -14.8363 -14.8176 -14.8176 -14.7517 -14.7517 -14.7346 -14.7346 -0.9313 -0.9313 -0.9290 -0.9290 3.9525 3.9525 3.9621 3.9621 5.8954 5.8954 5.8966 5.8966 8.7739 8.7739 8.7929 8.7929 9.1754 9.1754 9.1844 9.1844 k =-0.4005 0.4469 0.7331 ( 3570 PWs) bands (ev): -33.8631 -33.8631 -33.8631 -33.8631 -15.1753 -15.1753 -15.1737 -15.1737 -14.8358 -14.8358 -14.8182 -14.8182 -14.7506 -14.7506 -14.7344 -14.7344 -0.9333 -0.9333 -0.9312 -0.9312 3.9269 3.9269 3.9358 3.9358 5.9435 5.9435 5.9453 5.9453 8.8281 8.8281 8.8524 8.8524 9.1220 9.1220 9.1253 9.1253 k =-0.4076 0.4300 0.7331 ( 3570 PWs) bands (ev): -33.8631 -33.8631 -33.8631 -33.8631 -15.1753 -15.1753 -15.1738 -15.1738 -14.8353 -14.8353 -14.8188 -14.8188 -14.7494 -14.7494 -14.7343 -14.7343 -0.9354 -0.9354 -0.9334 -0.9334 3.9028 3.9028 3.9109 3.9109 5.9918 5.9918 5.9942 5.9942 8.8658 8.8658 8.8984 8.8984 9.0836 9.0836 9.0892 9.0892 k =-0.4147 0.4130 0.7331 ( 3566 PWs) bands (ev): -33.8632 -33.8632 -33.8632 -33.8632 -15.1752 -15.1752 -15.1738 -15.1738 -14.8348 -14.8348 -14.8194 -14.8194 -14.7483 -14.7483 -14.7342 -14.7342 -0.9375 -0.9375 -0.9355 -0.9355 3.8801 3.8801 3.8875 3.8875 6.0400 6.0400 6.0428 6.0428 8.8679 8.8679 8.9039 8.9039 9.0866 9.0866 9.0962 9.0962 k =-0.4218 0.3961 0.7331 ( 3570 PWs) bands (ev): -33.8632 -33.8632 -33.8632 -33.8632 -15.1752 -15.1752 -15.1739 -15.1739 -14.8342 -14.8342 -14.8200 -14.8200 -14.7472 -14.7472 -14.7341 -14.7341 -0.9395 -0.9395 -0.9377 -0.9377 3.8590 3.8590 3.8658 3.8658 6.0876 6.0876 6.0908 6.0908 8.8362 8.8362 8.8676 8.8676 9.1359 9.1359 9.1416 9.1416 k =-0.4289 0.3791 0.7331 ( 3572 PWs) bands (ev): -33.8632 -33.8632 -33.8632 -33.8632 -15.1752 -15.1752 -15.1740 -15.1740 -14.8336 -14.8336 -14.8206 -14.8206 -14.7461 -14.7461 -14.7341 -14.7341 -0.9414 -0.9414 -0.9397 -0.9397 3.8395 3.8395 3.8456 3.8456 6.1341 6.1341 6.1377 6.1377 8.7903 8.7903 8.8171 8.8171 9.2041 9.2041 9.2060 9.2060 k =-0.4360 0.3622 0.7331 ( 3566 PWs) bands (ev): -33.8632 -33.8632 -33.8632 -33.8632 -15.1751 -15.1751 -15.1741 -15.1741 -14.8330 -14.8330 -14.8212 -14.8212 -14.7450 -14.7450 -14.7342 -14.7342 -0.9432 -0.9432 -0.9417 -0.9417 3.8218 3.8218 3.8272 3.8272 6.1792 6.1792 6.1830 6.1830 8.7410 8.7410 8.7642 8.7642 9.2792 9.2792 9.2799 9.2799 k =-0.4432 0.3452 0.7331 ( 3574 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1751 -15.1751 -15.1742 -15.1742 -14.8324 -14.8324 -14.8219 -14.8219 -14.7440 -14.7440 -14.7343 -14.7343 -0.9449 -0.9449 -0.9435 -0.9435 3.8058 3.8058 3.8106 3.8106 6.2221 6.2221 6.2260 6.2260 8.6923 8.6923 8.7126 8.7126 9.3574 9.3574 9.3597 9.3597 k =-0.4503 0.3283 0.7331 ( 3570 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1751 -15.1751 -15.1742 -15.1742 -14.8317 -14.8317 -14.8225 -14.8225 -14.7431 -14.7431 -14.7345 -14.7345 -0.9464 -0.9464 -0.9452 -0.9452 3.7916 3.7916 3.7958 3.7958 6.2624 6.2624 6.2662 6.2662 8.6463 8.6463 8.6641 8.6641 9.4389 9.4389 9.4425 9.4425 k =-0.4574 0.3113 0.7331 ( 3566 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1750 -15.1750 -15.1743 -15.1743 -14.8311 -14.8311 -14.8231 -14.8231 -14.7421 -14.7421 -14.7348 -14.7348 -0.9478 -0.9478 -0.9467 -0.9467 3.7792 3.7792 3.7828 3.7828 6.2992 6.2992 6.3029 6.3029 8.6043 8.6043 8.6197 8.6197 9.5230 9.5230 9.5276 9.5276 k =-0.4645 0.2944 0.7331 ( 3564 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1749 -15.1749 -15.1744 -15.1744 -14.8304 -14.8304 -14.8237 -14.8237 -14.7412 -14.7412 -14.7350 -14.7350 -0.9489 -0.9489 -0.9480 -0.9480 3.7688 3.7688 3.7717 3.7717 6.3321 6.3321 6.3354 6.3354 8.5672 8.5672 8.5802 8.5802 9.6091 9.6091 9.6146 9.6146 k =-0.4716 0.2774 0.7331 ( 3568 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1749 -15.1749 -15.1744 -15.1744 -14.8298 -14.8298 -14.8244 -14.8244 -14.7404 -14.7404 -14.7354 -14.7354 -0.9499 -0.9499 -0.9492 -0.9492 3.7602 3.7602 3.7626 3.7626 6.3602 6.3602 6.3631 6.3631 8.5359 8.5359 8.5464 8.5464 9.6968 9.6968 9.7030 9.7030 k =-0.4787 0.2604 0.7331 ( 3564 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1748 -15.1748 -15.1745 -15.1745 -14.8291 -14.8291 -14.8251 -14.8251 -14.7396 -14.7396 -14.7358 -14.7358 -0.9506 -0.9506 -0.9501 -0.9501 3.7536 3.7536 3.7554 3.7554 6.3830 6.3830 6.3853 6.3853 8.5110 8.5110 8.5190 8.5190 9.7855 9.7855 9.7922 9.7922 k =-0.4858 0.2435 0.7331 ( 3564 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1748 -15.1748 -15.1746 -15.1746 -14.8284 -14.8284 -14.8257 -14.8257 -14.7388 -14.7388 -14.7363 -14.7363 -0.9511 -0.9511 -0.9508 -0.9508 3.7489 3.7489 3.7501 3.7501 6.3999 6.3999 6.4015 6.4015 8.4931 8.4931 8.4985 8.4985 9.8739 9.8739 9.8809 9.8809 k =-0.4929 0.2265 0.7331 ( 3572 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1748 -15.1748 -15.1746 -15.1746 -14.8278 -14.8278 -14.8264 -14.8264 -14.7381 -14.7381 -14.7369 -14.7369 -0.9514 -0.9514 -0.9512 -0.9512 3.7463 3.7463 3.7469 3.7469 6.4104 6.4104 6.4112 6.4112 8.4828 8.4828 8.4855 8.4855 9.9576 9.9576 9.9640 9.9640 k =-0.5000 0.2096 0.7331 ( 3576 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1747 -15.1747 -15.1747 -15.1747 -14.8271 -14.8271 -14.8271 -14.8271 -14.7375 -14.7375 -14.7375 -14.7375 -0.9514 -0.9514 -0.9514 -0.9514 3.7456 3.7456 3.7456 3.7456 6.4142 6.4142 6.4142 6.4142 8.4802 8.4802 8.4802 8.4802 10.0087 10.0087 10.0087 10.0087 k =-0.5000 0.2096 0.7331 ( 3576 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1747 -15.1747 -15.1747 -15.1747 -14.8271 -14.8271 -14.8271 -14.8271 -14.7375 -14.7375 -14.7375 -14.7375 -0.9514 -0.9514 -0.9514 -0.9514 3.7456 3.7456 3.7456 3.7456 6.4142 6.4142 6.4142 6.4142 8.4802 8.4802 8.4802 8.4802 10.0087 10.0087 10.0087 10.0087 k =-0.5000 0.2096 0.7147 ( 3570 PWs) bands (ev): -33.8634 -33.8634 -33.8633 -33.8633 -15.1749 -15.1749 -15.1744 -15.1744 -14.8280 -14.8280 -14.8261 -14.8261 -14.7381 -14.7381 -14.7368 -14.7368 -1.0424 -1.0424 -0.8598 -0.8598 3.6651 3.6651 3.8296 3.8296 6.3663 6.3663 6.4637 6.4637 8.4285 8.4285 8.5311 8.5311 9.9577 9.9577 10.0610 10.0610 k =-0.5000 0.2096 0.6964 ( 3570 PWs) bands (ev): -33.8635 -33.8635 -33.8632 -33.8632 -15.1751 -15.1751 -15.1740 -15.1740 -14.8288 -14.8288 -14.8250 -14.8250 -14.7388 -14.7388 -14.7362 -14.7362 -1.1325 -1.1325 -0.7678 -0.7678 3.5886 3.5886 3.9168 3.9168 6.3199 6.3199 6.5149 6.5149 8.3761 8.3761 8.5810 8.5810 9.9083 9.9083 10.0692 10.0692 k =-0.5000 0.2096 0.6781 ( 3574 PWs) bands (ev): -33.8637 -33.8637 -33.8631 -33.8631 -15.1752 -15.1752 -15.1735 -15.1735 -14.8295 -14.8295 -14.8239 -14.8239 -14.7395 -14.7395 -14.7356 -14.7356 -1.2215 -1.2215 -0.6756 -0.6756 3.5163 3.5163 4.0070 4.0070 6.2751 6.2751 6.5676 6.5676 8.3232 8.3232 8.6298 8.6298 9.8605 9.8605 10.0324 10.0324 k =-0.5000 0.2096 0.6598 ( 3574 PWs) bands (ev): -33.8638 -33.8638 -33.8631 -33.8631 -15.1752 -15.1752 -15.1730 -15.1730 -14.8302 -14.8302 -14.8226 -14.8226 -14.7402 -14.7402 -14.7349 -14.7349 -1.3092 -1.3092 -0.5837 -0.5837 3.4487 3.4487 4.0998 4.0998 6.2318 6.2318 6.6221 6.6221 8.2699 8.2699 8.6774 8.6774 9.8144 9.8144 9.9964 9.9964 k =-0.5000 0.2096 0.6414 ( 3574 PWs) bands (ev): -33.8639 -33.8639 -33.8630 -33.8630 -15.1751 -15.1751 -15.1724 -15.1724 -14.8307 -14.8307 -14.8213 -14.8213 -14.7409 -14.7409 -14.7344 -14.7344 -1.3955 -1.3955 -0.4925 -0.4925 3.3862 3.3862 4.1950 4.1950 6.1900 6.1900 6.6783 6.6783 8.2166 8.2166 8.7239 8.7239 9.7702 9.7702 9.9611 9.9611 k =-0.5000 0.2096 0.6231 ( 3566 PWs) bands (ev): -33.8640 -33.8640 -33.8630 -33.8630 -15.1749 -15.1749 -15.1717 -15.1717 -14.8311 -14.8311 -14.8199 -14.8199 -14.7416 -14.7416 -14.7338 -14.7338 -1.4803 -1.4803 -0.4022 -0.4022 3.3293 3.3293 4.2922 4.2922 6.1497 6.1497 6.7361 6.7361 8.1634 8.1634 8.7691 8.7691 9.7279 9.7279 9.9259 9.9259 k =-0.5000 0.2096 0.6048 ( 3572 PWs) bands (ev): -33.8642 -33.8642 -33.8630 -33.8630 -15.1748 -15.1748 -15.1710 -15.1710 -14.8315 -14.8315 -14.8185 -14.8185 -14.7423 -14.7423 -14.7332 -14.7332 -1.5633 -1.5633 -0.3135 -0.3135 3.2786 3.2786 4.3911 4.3911 6.1107 6.1107 6.7957 6.7957 8.1105 8.1105 8.8131 8.8131 9.6876 9.6876 9.8903 9.8903 k =-0.5000 0.2096 0.5864 ( 3572 PWs) bands (ev): -33.8643 -33.8643 -33.8630 -33.8630 -15.1745 -15.1745 -15.1702 -15.1702 -14.8317 -14.8317 -14.8170 -14.8170 -14.7431 -14.7431 -14.7327 -14.7327 -1.6446 -1.6446 -0.2268 -0.2268 3.2345 3.2345 4.4916 4.4916 6.0732 6.0732 6.8571 6.8571 8.0582 8.0582 8.8558 8.8558 9.6492 9.6492 9.8539 9.8539 k =-0.5000 0.2096 0.5681 ( 3560 PWs) bands (ev): -33.8645 -33.8645 -33.8630 -33.8630 -15.1741 -15.1741 -15.1693 -15.1693 -14.8319 -14.8319 -14.8154 -14.8154 -14.7437 -14.7437 -14.7322 -14.7322 -1.7240 -1.7240 -0.1427 -0.1427 3.1978 3.1978 4.5931 4.5931 6.0370 6.0370 6.9203 6.9203 8.0067 8.0067 8.8972 8.8972 9.6130 9.6130 9.8162 9.8162 k =-0.5000 0.2096 0.5498 ( 3568 PWs) bands (ev): -33.8647 -33.8647 -33.8630 -33.8630 -15.1737 -15.1737 -15.1685 -15.1685 -14.8319 -14.8319 -14.8139 -14.8139 -14.7444 -14.7444 -14.7317 -14.7317 -1.8014 -1.8014 -0.0618 -0.0618 3.1689 3.1689 4.6955 4.6955 6.0022 6.0022 6.9852 6.9852 7.9563 7.9563 8.9374 8.9374 9.5788 9.5788 9.7769 9.7769 k =-0.5000 0.2096 0.5315 ( 3560 PWs) bands (ev): -33.8648 -33.8648 -33.8630 -33.8630 -15.1732 -15.1732 -15.1676 -15.1676 -14.8319 -14.8319 -14.8123 -14.8123 -14.7451 -14.7451 -14.7312 -14.7312 -1.8767 -1.8767 0.0152 0.0152 3.1487 3.1487 4.7984 4.7984 5.9687 5.9687 7.0520 7.0520 7.9072 7.9072 8.9762 8.9762 9.5467 9.5467 9.7360 9.7360 k =-0.5000 0.2096 0.5131 ( 3556 PWs) bands (ev): -33.8650 -33.8650 -33.8630 -33.8630 -15.1726 -15.1726 -15.1667 -15.1667 -14.8317 -14.8317 -14.8106 -14.8106 -14.7457 -14.7457 -14.7308 -14.7308 -1.9500 -1.9500 0.0877 0.0877 3.1377 3.1377 4.9014 4.9014 5.9365 5.9365 7.1205 7.1205 7.8596 7.8596 9.0136 9.0136 9.5168 9.5168 9.6935 9.6935 k =-0.5000 0.2096 0.4948 ( 3554 PWs) bands (ev): -33.8652 -33.8652 -33.8631 -33.8631 -15.1721 -15.1721 -15.1657 -15.1657 -14.8314 -14.8314 -14.8090 -14.8090 -14.7464 -14.7464 -14.7304 -14.7304 -2.0210 -2.0210 0.1551 0.1551 3.1366 3.1366 5.0041 5.0041 5.9055 5.9055 7.1908 7.1908 7.8138 7.8138 9.0494 9.0494 9.4890 9.4890 9.6498 9.6498 k =-0.5000 0.2096 0.4765 ( 3562 PWs) bands (ev): -33.8654 -33.8654 -33.8631 -33.8631 -15.1715 -15.1715 -15.1648 -15.1648 -14.8311 -14.8311 -14.8073 -14.8073 -14.7470 -14.7470 -14.7300 -14.7300 -2.0898 -2.0898 0.2169 0.2169 3.1459 3.1459 5.1061 5.1061 5.8759 5.8759 7.2630 7.2630 7.7700 7.7700 9.0835 9.0835 9.4634 9.4634 9.6053 9.6053 k =-0.5000 0.2096 0.4582 ( 3572 PWs) bands (ev): -33.8656 -33.8656 -33.8632 -33.8632 -15.1708 -15.1708 -15.1638 -15.1638 -14.8306 -14.8306 -14.8057 -14.8057 -14.7476 -14.7476 -14.7297 -14.7297 -2.1564 -2.1564 0.2726 0.2726 3.1662 3.1662 5.2068 5.2068 5.8475 5.8475 7.3369 7.3369 7.7284 7.7284 9.1154 9.1154 9.4398 9.4398 9.5608 9.5608 k =-0.5000 0.2096 0.4398 ( 3572 PWs) bands (ev): -33.8658 -33.8658 -33.8632 -33.8632 -15.1701 -15.1701 -15.1628 -15.1628 -14.8301 -14.8301 -14.8041 -14.8041 -14.7482 -14.7482 -14.7294 -14.7294 -2.2206 -2.2206 0.3219 0.3219 3.1976 3.1976 5.3057 5.3057 5.8204 5.8204 7.4125 7.4125 7.6895 7.6895 9.1447 9.1447 9.4184 9.4184 9.5171 9.5171 k =-0.5000 0.2096 0.4215 ( 3578 PWs) bands (ev): -33.8660 -33.8660 -33.8633 -33.8633 -15.1694 -15.1694 -15.1619 -15.1619 -14.8295 -14.8295 -14.8025 -14.8025 -14.7487 -14.7487 -14.7291 -14.7291 -2.2824 -2.2824 0.3645 0.3645 3.2405 3.2405 5.4023 5.4023 5.7946 5.7946 7.4896 7.4896 7.6535 7.6535 9.1707 9.1707 9.3991 9.3991 9.4751 9.4751 k =-0.5000 0.2096 0.4032 ( 3574 PWs) bands (ev): -33.8662 -33.8662 -33.8633 -33.8633 -15.1686 -15.1686 -15.1609 -15.1609 -14.8287 -14.8287 -14.8010 -14.8010 -14.7491 -14.7491 -14.7289 -14.7289 -2.3418 -2.3418 0.4006 0.4006 3.2947 3.2947 5.4956 5.4956 5.7704 5.7704 7.5661 7.5661 7.6228 7.6228 9.1924 9.1924 9.3818 9.3818 9.4357 9.4357 k =-0.5000 0.2096 0.3849 ( 3578 PWs) bands (ev): -33.8664 -33.8664 -33.8634 -33.8634 -15.1679 -15.1679 -15.1600 -15.1600 -14.8279 -14.8279 -14.7995 -14.7995 -14.7494 -14.7494 -14.7287 -14.7287 -2.3988 -2.3988 0.4303 0.4303 3.3601 3.3601 5.5845 5.5845 5.7483 5.7483 7.5844 7.5844 7.6552 7.6552 9.2083 9.2083 9.3665 9.3665 9.3998 9.3998 k =-0.5000 0.2096 0.3665 ( 3576 PWs) bands (ev): -33.8666 -33.8666 -33.8635 -33.8635 -15.1671 -15.1671 -15.1591 -15.1591 -14.8270 -14.8270 -14.7981 -14.7981 -14.7497 -14.7497 -14.7285 -14.7285 -2.4533 -2.4533 0.4538 0.4538 3.4362 3.4362 5.6635 5.6635 5.7330 5.7330 7.5591 7.5591 7.7362 7.7362 9.2166 9.2166 9.3529 9.3529 9.3684 9.3684 k =-0.5000 0.2096 0.3482 ( 3576 PWs) bands (ev): -33.8668 -33.8668 -33.8635 -33.8635 -15.1664 -15.1664 -15.1582 -15.1582 -14.8261 -14.8261 -14.7969 -14.7969 -14.7498 -14.7498 -14.7284 -14.7284 -2.5052 -2.5052 0.4718 0.4718 3.5227 3.5227 5.6898 5.6898 5.7670 5.7670 7.5355 7.5355 7.8205 7.8205 9.2149 9.2149 9.3395 9.3395 9.3439 9.3439 k =-0.5000 0.2096 0.3299 ( 3572 PWs) bands (ev): -33.8670 -33.8670 -33.8636 -33.8636 -15.1656 -15.1656 -15.1573 -15.1573 -14.8250 -14.8250 -14.7957 -14.7957 -14.7499 -14.7499 -14.7283 -14.7283 -2.5547 -2.5547 0.4847 0.4847 3.6189 3.6189 5.6751 5.6751 5.8376 5.8376 7.5149 7.5149 7.9068 7.9068 9.2002 9.2002 9.3206 9.3206 9.3325 9.3325 k =-0.5000 0.2096 0.3115 ( 3562 PWs) bands (ev): -33.8672 -33.8672 -33.8637 -33.8637 -15.1648 -15.1648 -15.1565 -15.1565 -14.8239 -14.8239 -14.7947 -14.7947 -14.7498 -14.7498 -14.7282 -14.7282 -2.6016 -2.6016 0.4931 0.4931 3.7241 3.7241 5.6573 5.6573 5.9066 5.9066 7.4976 7.4976 7.9950 7.9950 9.1694 9.1694 9.3064 9.3064 9.3243 9.3243 k =-0.5000 0.2096 0.2932 ( 3566 PWs) bands (ev): -33.8673 -33.8673 -33.8638 -33.8638 -15.1641 -15.1641 -15.1557 -15.1557 -14.8228 -14.8228 -14.7938 -14.7938 -14.7496 -14.7496 -14.7282 -14.7282 -2.6459 -2.6459 0.4977 0.4977 3.8375 3.8375 5.6398 5.6398 5.9701 5.9701 7.4835 7.4835 8.0847 8.0847 9.1193 9.1193 9.2993 9.2993 9.3180 9.3180 k =-0.5000 0.2096 0.2749 ( 3566 PWs) bands (ev): -33.8675 -33.8675 -33.8638 -33.8638 -15.1633 -15.1633 -15.1549 -15.1549 -14.8215 -14.8215 -14.7931 -14.7931 -14.7493 -14.7493 -14.7282 -14.7282 -2.6877 -2.6877 0.4992 0.4992 3.9586 3.9586 5.6230 5.6230 6.0272 6.0272 7.4723 7.4723 8.1759 8.1759 9.0483 9.0483 9.2996 9.2996 9.3137 9.3137 k =-0.5000 0.2096 0.2566 ( 3574 PWs) bands (ev): -33.8677 -33.8677 -33.8639 -33.8639 -15.1626 -15.1626 -15.1543 -15.1543 -14.8203 -14.8203 -14.7926 -14.7926 -14.7489 -14.7489 -14.7283 -14.7283 -2.7268 -2.7268 0.4980 0.4980 4.0865 4.0865 5.6073 5.6073 6.0778 6.0778 7.4637 7.4637 8.2685 8.2685 8.9567 8.9567 9.3043 9.3043 9.3147 9.3147 k =-0.5000 0.2096 0.2382 ( 3576 PWs) bands (ev): -33.8679 -33.8679 -33.8640 -33.8640 -15.1620 -15.1620 -15.1536 -15.1536 -14.8190 -14.8190 -14.7923 -14.7923 -14.7484 -14.7484 -14.7285 -14.7285 -2.7633 -2.7633 0.4947 0.4947 4.2204 4.2204 5.5925 5.5925 6.1218 6.1218 7.4572 7.4572 8.3622 8.3622 8.8466 8.8466 9.3044 9.3044 9.3299 9.3299 k =-0.5000 0.2096 0.2199 ( 3572 PWs) bands (ev): -33.8680 -33.8680 -33.8641 -33.8641 -15.1613 -15.1613 -15.1530 -15.1530 -14.8177 -14.8177 -14.7921 -14.7921 -14.7477 -14.7477 -14.7287 -14.7287 -2.7971 -2.7971 0.4900 0.4900 4.3598 4.3598 5.5788 5.5788 6.1594 6.1594 7.4526 7.4526 8.4556 8.4556 8.7219 8.7219 9.3035 9.3035 9.3557 9.3557 k =-0.5000 0.2096 0.2016 ( 3562 PWs) bands (ev): -33.8681 -33.8681 -33.8641 -33.8641 -15.1606 -15.1606 -15.1524 -15.1524 -14.8163 -14.8163 -14.7920 -14.7920 -14.7469 -14.7469 -14.7289 -14.7289 -2.8283 -2.8283 0.4841 0.4841 4.5039 4.5039 5.5662 5.5662 6.1911 6.1911 7.4492 7.4492 8.5282 8.5282 8.6061 8.6061 9.3032 9.3032 9.3898 9.3898 k =-0.5000 0.2096 0.1833 ( 3564 PWs) bands (ev): -33.8683 -33.8683 -33.8642 -33.8642 -15.1601 -15.1601 -15.1519 -15.1519 -14.8149 -14.8149 -14.7922 -14.7922 -14.7460 -14.7460 -14.7292 -14.7292 -2.8568 -2.8568 0.4776 0.4776 4.6518 4.6518 5.5547 5.5547 6.2174 6.2174 7.4468 7.4468 8.4195 8.4195 8.6625 8.6625 9.3035 9.3035 9.4313 9.4313 k =-0.5000 0.2096 0.1649 ( 3564 PWs) bands (ev): -33.8684 -33.8684 -33.8642 -33.8642 -15.1595 -15.1595 -15.1515 -15.1515 -14.8136 -14.8136 -14.7925 -14.7925 -14.7451 -14.7451 -14.7296 -14.7296 -2.8826 -2.8826 0.4708 0.4708 4.8029 4.8029 5.5443 5.5443 6.2389 6.2389 7.4449 7.4449 8.2650 8.2650 8.7584 8.7584 9.3043 9.3043 9.4792 9.4792 k =-0.5000 0.2096 0.1466 ( 3566 PWs) bands (ev): -33.8685 -33.8685 -33.8643 -33.8643 -15.1591 -15.1591 -15.1511 -15.1511 -14.8122 -14.8122 -14.7929 -14.7929 -14.7440 -14.7440 -14.7300 -14.7300 -2.9058 -2.9058 0.4639 0.4639 4.9560 4.9560 5.5350 5.5350 6.2562 6.2562 7.4432 7.4432 8.1037 8.1037 8.8569 8.8569 9.3056 9.3056 9.5320 9.5320 k =-0.5000 0.2096 0.1283 ( 3566 PWs) bands (ev): -33.8686 -33.8686 -33.8643 -33.8643 -15.1586 -15.1586 -15.1507 -15.1507 -14.8108 -14.8108 -14.7935 -14.7935 -14.7430 -14.7430 -14.7305 -14.7305 -2.9262 -2.9262 0.4573 0.4573 5.1099 5.1099 5.5268 5.5268 6.2700 6.2700 7.4417 7.4417 7.9396 7.9396 8.9560 8.9560 9.3072 9.3072 9.5824 9.5824 k =-0.5000 0.2096 0.1100 ( 3562 PWs) bands (ev): -33.8687 -33.8687 -33.8644 -33.8644 -15.1582 -15.1582 -15.1504 -15.1504 -14.8095 -14.8095 -14.7941 -14.7941 -14.7419 -14.7419 -14.7310 -14.7310 -2.9439 -2.9439 0.4512 0.4512 5.2631 5.2631 5.5199 5.5199 6.2809 6.2809 7.4402 7.4402 7.7757 7.7757 9.0546 9.0546 9.3089 9.3089 9.5661 9.5661 k =-0.5000 0.2096 0.0916 ( 3552 PWs) bands (ev): -33.8688 -33.8688 -33.8644 -33.8644 -15.1578 -15.1578 -15.1502 -15.1502 -14.8081 -14.8081 -14.7948 -14.7948 -14.7408 -14.7408 -14.7316 -14.7316 -2.9589 -2.9589 0.4457 0.4457 5.4123 5.4123 5.5150 5.5150 6.2896 6.2896 7.4387 7.4387 7.6152 7.6152 9.1516 9.1516 9.3106 9.3106 9.5462 9.5462 k =-0.5000 0.2096 0.0733 ( 3546 PWs) bands (ev): -33.8688 -33.8688 -33.8644 -33.8644 -15.1575 -15.1575 -15.1499 -15.1499 -14.8069 -14.8069 -14.7956 -14.7956 -14.7397 -14.7397 -14.7323 -14.7323 -2.9712 -2.9712 0.4410 0.4410 5.5045 5.5045 5.5617 5.5617 6.2965 6.2965 7.4341 7.4341 7.4651 7.4651 9.2450 9.2450 9.3122 9.3122 9.5296 9.5296 k =-0.5000 0.2096 0.0550 ( 3546 PWs) bands (ev): -33.8689 -33.8689 -33.8645 -33.8645 -15.1573 -15.1573 -15.1498 -15.1498 -14.8057 -14.8057 -14.7964 -14.7964 -14.7386 -14.7386 -14.7330 -14.7330 -2.9808 -2.9808 0.4372 0.4372 5.5032 5.5032 5.6908 5.6908 6.3021 6.3021 7.3199 7.3199 7.4380 7.4380 9.3135 9.3135 9.3316 9.3316 9.5166 9.5166 k =-0.5000 0.2096 0.0367 ( 3546 PWs) bands (ev): -33.8689 -33.8689 -33.8645 -33.8645 -15.1571 -15.1571 -15.1497 -15.1497 -14.8047 -14.8047 -14.7971 -14.7971 -14.7376 -14.7376 -14.7338 -14.7338 -2.9876 -2.9876 0.4344 0.4344 5.5008 5.5008 5.8010 5.8010 6.3068 6.3068 7.2027 7.2027 7.4367 7.4367 9.3146 9.3146 9.4059 9.4059 9.5072 9.5072 k =-0.5000 0.2096 0.0183 ( 3554 PWs) bands (ev): -33.8689 -33.8689 -33.8645 -33.8645 -15.1571 -15.1571 -15.1497 -15.1497 -14.8040 -14.8040 -14.7977 -14.7977 -14.7366 -14.7366 -14.7347 -14.7347 -2.9917 -2.9917 0.4328 0.4328 5.4992 5.4992 5.8770 5.8770 6.3104 6.3104 7.1213 7.1213 7.4361 7.4361 9.3152 9.3152 9.4585 9.4585 9.5015 9.5015 k =-0.5000 0.2096-0.0000 ( 3560 PWs) bands (ev): -33.8689 -33.8689 -33.8645 -33.8645 -15.1571 -15.1571 -15.1496 -15.1496 -14.8038 -14.8038 -14.7979 -14.7979 -14.7359 -14.7359 -14.7354 -14.7354 -2.9931 -2.9931 0.4322 0.4322 5.4987 5.4987 5.9046 5.9046 6.3119 6.3119 7.0917 7.0917 7.4359 7.4359 9.3154 9.3154 9.4781 9.4781 9.4996 9.4996 k = 0.0000 0.0000 0.7331 ( 3532 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1633 -15.1633 -15.1633 -15.1633 -14.7991 -14.7991 -14.7991 -14.7991 -14.7750 -14.7750 -14.7750 -14.7750 -1.1145 -1.1145 -1.1145 -1.1145 4.7568 4.7568 4.7568 4.7568 6.1953 6.1953 6.1953 6.1953 7.0875 7.0875 7.0875 7.0875 9.9925 9.9925 9.9925 9.9925 k =-0.0172 0.0072 0.7331 ( 3532 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1633 -15.1633 -15.1633 -15.1633 -14.7993 -14.7993 -14.7993 -14.7993 -14.7747 -14.7747 -14.7747 -14.7747 -1.1140 -1.1140 -1.1140 -1.1140 4.7525 4.7525 4.7525 4.7525 6.1959 6.1959 6.1959 6.1959 7.0927 7.0927 7.0927 7.0927 9.9937 9.9937 9.9937 9.9937 k =-0.0345 0.0145 0.7331 ( 3540 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1635 -15.1635 -15.1635 -15.1635 -14.7999 -14.7999 -14.7999 -14.7999 -14.7740 -14.7740 -14.7740 -14.7740 -1.1127 -1.1127 -1.1127 -1.1127 4.7398 4.7398 4.7398 4.7398 6.1976 6.1976 6.1976 6.1976 7.1080 7.1080 7.1080 7.1080 9.9973 9.9973 9.9973 9.9973 k =-0.0517 0.0217 0.7331 ( 3538 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1636 -15.1636 -15.1636 -15.1636 -14.8009 -14.8009 -14.8009 -14.8009 -14.7729 -14.7729 -14.7729 -14.7729 -1.1105 -1.1105 -1.1105 -1.1105 4.7191 4.7191 4.7191 4.7191 6.2004 6.2004 6.2004 6.2004 7.1330 7.1330 7.1330 7.1330 10.0031 10.0031 10.0031 10.0031 k =-0.0690 0.0289 0.7331 ( 3538 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1639 -15.1639 -15.1639 -15.1639 -14.8021 -14.8021 -14.8021 -14.8021 -14.7716 -14.7716 -14.7716 -14.7716 -1.1074 -1.1074 -1.1074 -1.1074 4.6911 4.6911 4.6911 4.6911 6.2043 6.2043 6.2043 6.2043 7.1671 7.1671 7.1671 7.1671 10.0113 10.0113 10.0113 10.0113 k =-0.0862 0.0361 0.7331 ( 3540 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1642 -15.1642 -15.1642 -15.1642 -14.8035 -14.8035 -14.8035 -14.8035 -14.7699 -14.7699 -14.7699 -14.7699 -1.1036 -1.1036 -1.1036 -1.1036 4.6566 4.6566 4.6566 4.6566 6.2093 6.2093 6.2093 6.2093 7.2093 7.2093 7.2093 7.2093 10.0215 10.0215 10.0215 10.0215 k =-0.1034 0.0434 0.7331 ( 3538 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1645 -15.1645 -15.1645 -15.1645 -14.8049 -14.8049 -14.8049 -14.8049 -14.7681 -14.7681 -14.7681 -14.7681 -1.0989 -1.0989 -1.0989 -1.0989 4.6166 4.6166 4.6166 4.6166 6.2153 6.2153 6.2153 6.2153 7.2587 7.2587 7.2587 7.2587 10.0338 10.0338 10.0338 10.0338 k =-0.1207 0.0506 0.7331 ( 3538 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1649 -15.1649 -15.1649 -15.1649 -14.8065 -14.8065 -14.8065 -14.8065 -14.7663 -14.7663 -14.7663 -14.7663 -1.0935 -1.0935 -1.0935 -1.0935 4.5719 4.5719 4.5719 4.5719 6.2223 6.2223 6.2223 6.2223 7.3141 7.3141 7.3141 7.3141 10.0480 10.0480 10.0480 10.0480 k =-0.1379 0.0578 0.7331 ( 3542 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1654 -15.1654 -15.1654 -15.1654 -14.8081 -14.8081 -14.8081 -14.8081 -14.7643 -14.7643 -14.7643 -14.7643 -1.0874 -1.0874 -1.0874 -1.0874 4.5236 4.5236 4.5236 4.5236 6.2302 6.2302 6.2302 6.2302 7.3747 7.3747 7.3747 7.3747 10.0637 10.0637 10.0637 10.0637 k =-0.1552 0.0650 0.7331 ( 3546 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1659 -15.1659 -15.1659 -15.1659 -14.8096 -14.8096 -14.8096 -14.8096 -14.7623 -14.7623 -14.7623 -14.7623 -1.0807 -1.0807 -1.0807 -1.0807 4.4726 4.4726 4.4726 4.4726 6.2389 6.2389 6.2389 6.2389 7.4394 7.4394 7.4394 7.4394 10.0808 10.0808 10.0808 10.0808 k =-0.1724 0.0723 0.7331 ( 3554 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1664 -15.1664 -15.1664 -15.1664 -14.8112 -14.8112 -14.8112 -14.8112 -14.7603 -14.7603 -14.7603 -14.7603 -1.0734 -1.0734 -1.0734 -1.0734 4.4197 4.4197 4.4197 4.4197 6.2485 6.2485 6.2485 6.2485 7.5073 7.5073 7.5073 7.5073 10.0989 10.0989 10.0989 10.0989 k =-0.1897 0.0795 0.7331 ( 3562 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1670 -15.1670 -15.1670 -15.1670 -14.8127 -14.8127 -14.8127 -14.8127 -14.7584 -14.7584 -14.7584 -14.7584 -1.0657 -1.0657 -1.0657 -1.0657 4.3656 4.3656 4.3656 4.3656 6.2587 6.2587 6.2587 6.2587 7.5774 7.5774 7.5774 7.5774 10.1175 10.1175 10.1175 10.1175 k =-0.2069 0.0867 0.7331 ( 3562 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1676 -15.1676 -15.1676 -15.1676 -14.8142 -14.8142 -14.8142 -14.8142 -14.7564 -14.7564 -14.7564 -14.7564 -1.0575 -1.0575 -1.0575 -1.0575 4.3112 4.3112 4.3112 4.3112 6.2694 6.2694 6.2694 6.2694 7.6491 7.6491 7.6491 7.6491 10.1361 10.1361 10.1361 10.1361 k =-0.2241 0.0940 0.7331 ( 3568 PWs) bands (ev): -33.8634 -33.8634 -33.8634 -33.8634 -15.1682 -15.1682 -15.1682 -15.1682 -14.8156 -14.8156 -14.8156 -14.8156 -14.7545 -14.7545 -14.7545 -14.7545 -1.0491 -1.0491 -1.0491 -1.0491 4.2569 4.2569 4.2569 4.2569 6.2807 6.2807 6.2807 6.2807 7.7214 7.7214 7.7214 7.7214 10.1542 10.1542 10.1542 10.1542 k =-0.2414 0.1012 0.7331 ( 3568 PWs) bands (ev): -33.8634 -33.8634 -33.8634 -33.8634 -15.1688 -15.1688 -15.1688 -15.1688 -14.8170 -14.8170 -14.8170 -14.8170 -14.7526 -14.7526 -14.7526 -14.7526 -1.0404 -1.0404 -1.0404 -1.0404 4.2035 4.2035 4.2035 4.2035 6.2922 6.2922 6.2922 6.2922 7.7938 7.7938 7.7938 7.7938 10.1710 10.1710 10.1710 10.1710 k =-0.2586 0.1084 0.7331 ( 3566 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1694 -15.1694 -15.1694 -15.1694 -14.8182 -14.8182 -14.8182 -14.8182 -14.7508 -14.7508 -14.7508 -14.7508 -1.0316 -1.0316 -1.0316 -1.0316 4.1513 4.1513 4.1513 4.1513 6.3040 6.3040 6.3040 6.3040 7.8655 7.8655 7.8655 7.8655 10.1859 10.1859 10.1859 10.1859 k =-0.2759 0.1156 0.7331 ( 3562 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1700 -15.1700 -15.1700 -15.1700 -14.8194 -14.8194 -14.8194 -14.8194 -14.7491 -14.7491 -14.7491 -14.7491 -1.0227 -1.0227 -1.0227 -1.0227 4.1009 4.1009 4.1009 4.1009 6.3159 6.3159 6.3159 6.3159 7.9359 7.9359 7.9359 7.9359 10.1982 10.1982 10.1982 10.1982 k =-0.2931 0.1229 0.7331 ( 3560 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1706 -15.1706 -15.1706 -15.1706 -14.8205 -14.8205 -14.8205 -14.8205 -14.7475 -14.7475 -14.7475 -14.7475 -1.0140 -1.0140 -1.0140 -1.0140 4.0526 4.0526 4.0526 4.0526 6.3278 6.3278 6.3278 6.3278 8.0045 8.0045 8.0045 8.0045 10.2072 10.2072 10.2072 10.2072 k =-0.3103 0.1301 0.7331 ( 3552 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1711 -15.1711 -15.1711 -15.1711 -14.8215 -14.8215 -14.8215 -14.8215 -14.7459 -14.7459 -14.7459 -14.7459 -1.0054 -1.0054 -1.0054 -1.0054 4.0069 4.0069 4.0069 4.0069 6.3394 6.3394 6.3394 6.3394 8.0707 8.0707 8.0707 8.0707 10.2125 10.2125 10.2125 10.2125 k =-0.3276 0.1373 0.7331 ( 3552 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1717 -15.1717 -15.1717 -15.1717 -14.8225 -14.8225 -14.8225 -14.8225 -14.7445 -14.7445 -14.7445 -14.7445 -0.9972 -0.9972 -0.9972 -0.9972 3.9641 3.9641 3.9641 3.9641 6.3507 6.3507 6.3507 6.3507 8.1339 8.1339 8.1339 8.1339 10.2138 10.2138 10.2138 10.2138 k =-0.3448 0.1445 0.7331 ( 3560 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1722 -15.1722 -15.1722 -15.1722 -14.8233 -14.8233 -14.8233 -14.8233 -14.7432 -14.7432 -14.7432 -14.7432 -0.9893 -0.9893 -0.9893 -0.9893 3.9244 3.9244 3.9244 3.9244 6.3614 6.3614 6.3614 6.3614 8.1934 8.1934 8.1934 8.1934 10.2073 10.2073 10.2073 10.2073 k =-0.3621 0.1518 0.7331 ( 3560 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1727 -15.1727 -15.1727 -15.1727 -14.8241 -14.8241 -14.8241 -14.8241 -14.7420 -14.7420 -14.7420 -14.7420 -0.9820 -0.9820 -0.9820 -0.9820 3.8882 3.8882 3.8882 3.8882 6.3716 6.3716 6.3716 6.3716 8.2489 8.2489 8.2489 8.2489 10.1708 10.1708 10.1708 10.1708 k =-0.3793 0.1590 0.7331 ( 3564 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1732 -15.1732 -15.1732 -15.1732 -14.8248 -14.8248 -14.8248 -14.8248 -14.7410 -14.7410 -14.7410 -14.7410 -0.9753 -0.9753 -0.9753 -0.9753 3.8556 3.8556 3.8556 3.8556 6.3809 6.3809 6.3809 6.3809 8.2997 8.2997 8.2997 8.2997 10.1340 10.1340 10.1340 10.1340 k =-0.3966 0.1662 0.7331 ( 3564 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1736 -15.1736 -15.1736 -15.1736 -14.8254 -14.8254 -14.8254 -14.8254 -14.7401 -14.7401 -14.7401 -14.7401 -0.9692 -0.9692 -0.9692 -0.9692 3.8270 3.8270 3.8270 3.8270 6.3893 6.3893 6.3893 6.3893 8.3453 8.3453 8.3453 8.3453 10.1014 10.1014 10.1014 10.1014 k =-0.4138 0.1735 0.7331 ( 3568 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1739 -15.1739 -15.1739 -15.1739 -14.8259 -14.8259 -14.8259 -14.8259 -14.7393 -14.7393 -14.7393 -14.7393 -0.9639 -0.9639 -0.9639 -0.9639 3.8024 3.8024 3.8024 3.8024 6.3966 6.3966 6.3966 6.3966 8.3851 8.3851 8.3851 8.3851 10.0734 10.0734 10.0734 10.0734 k =-0.4310 0.1807 0.7331 ( 3578 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1742 -15.1742 -15.1742 -15.1742 -14.8264 -14.8264 -14.8264 -14.8264 -14.7386 -14.7386 -14.7386 -14.7386 -0.9595 -0.9595 -0.9595 -0.9595 3.7821 3.7821 3.7821 3.7821 6.4028 6.4028 6.4028 6.4028 8.4185 8.4185 8.4185 8.4185 10.0503 10.0503 10.0503 10.0503 k =-0.4483 0.1879 0.7331 ( 3574 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1744 -15.1744 -15.1744 -15.1744 -14.8267 -14.8267 -14.8267 -14.8267 -14.7381 -14.7381 -14.7381 -14.7381 -0.9560 -0.9560 -0.9560 -0.9560 3.7662 3.7662 3.7662 3.7662 6.4077 6.4077 6.4077 6.4077 8.4451 8.4451 8.4451 8.4451 10.0322 10.0322 10.0322 10.0322 k =-0.4655 0.1951 0.7331 ( 3574 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1746 -15.1746 -15.1746 -15.1746 -14.8269 -14.8269 -14.8269 -14.8269 -14.7378 -14.7378 -14.7378 -14.7378 -0.9535 -0.9535 -0.9535 -0.9535 3.7548 3.7548 3.7548 3.7548 6.4113 6.4113 6.4113 6.4113 8.4645 8.4645 8.4645 8.4645 10.0192 10.0192 10.0192 10.0192 k =-0.4828 0.2024 0.7331 ( 3572 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1747 -15.1747 -15.1747 -15.1747 -14.8270 -14.8270 -14.8270 -14.8270 -14.7375 -14.7375 -14.7375 -14.7375 -0.9519 -0.9519 -0.9519 -0.9519 3.7479 3.7479 3.7479 3.7479 6.4135 6.4135 6.4135 6.4135 8.4763 8.4763 8.4763 8.4763 10.0113 10.0113 10.0113 10.0113 k =-0.5000 0.2096 0.7331 ( 3576 PWs) bands (ev): -33.8633 -33.8633 -33.8633 -33.8633 -15.1747 -15.1747 -15.1747 -15.1747 -14.8271 -14.8271 -14.8271 -14.8271 -14.7375 -14.7375 -14.7375 -14.7375 -0.9514 -0.9514 -0.9514 -0.9514 3.7456 3.7456 3.7456 3.7456 6.4142 6.4142 6.4142 6.4142 8.4802 8.4802 8.4802 8.4802 10.0087 10.0087 10.0087 10.0087 Writing output data file CaGe.save init_run : 4.35s CPU 13.16s WALL ( 1 calls) electrons : 690.02s CPU 699.43s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.21s CPU 1.48s WALL ( 1 calls) Called by electrons: c_bands : 689.94s CPU 699.18s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.99s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.58s WALL ( 1 calls) newd : 0.32s CPU 0.46s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.12s WALL ( 402 calls) cegterg : 627.01s CPU 632.44s WALL ( 1443 calls) Called by sum_band: Called by *egterg: h_psi : 305.32s CPU 318.19s WALL ( 27208 calls) s_psi : 22.30s CPU 23.90s WALL ( 27208 calls) g_psi : 0.63s CPU 0.82s WALL ( 25363 calls) cdiaghg : 209.33s CPU 204.86s WALL ( 25765 calls) cegterg:over : 50.19s CPU 43.56s WALL ( 25363 calls) cegterg:upda : 6.36s CPU 12.70s WALL ( 25363 calls) cegterg:last : 6.59s CPU 8.07s WALL ( 3867 calls) Called by h_psi: h_psi:vloc : 255.68s CPU 268.62s WALL ( 27208 calls) h_psi:vnl : 49.39s CPU 48.79s WALL ( 27208 calls) add_vuspsi : 12.23s CPU 19.17s WALL ( 27208 calls) General routines calbec : 37.10s CPU 29.41s WALL ( 27208 calls) fft : 0.11s CPU 1.07s WALL ( 19 calls) ffts : 0.00s CPU 0.06s WALL ( 4 calls) fftw : 244.05s CPU 254.53s WALL ( 1554288 calls) interpolate : 0.02s CPU 0.09s WALL ( 4 calls) davcio : 0.03s CPU 2.66s WALL ( 804 calls) Parallel routines fft_scatter : 145.01s CPU 151.45s WALL ( 1554311 calls) PWSCF : 12m21.62s CPU 14m10.96s WALL This run was terminated on: 6: 2:43 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=