Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:53:39 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SrGe.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 57 34 10 1543 727 118 Max 58 35 12 1545 737 120 Sum 2053 1249 363 55585 26371 4259 bravais-lattice index = 14 lattice parameter (alat) = 11.6860 a.u. unit-cell volume = 771.8995 (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 = 40.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.685954 celldm(2)= 1.000000 celldm(3)= 0.673842 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.696238 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.696238 0.717811 0.000000 ) a(3) = ( 0.000000 0.000000 0.673842 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.969946 -0.000000 ) b(2) = ( 0.000000 1.393124 -0.000000 ) b(3) = ( 0.000000 0.000000 1.484027 ) PseudoPot. # 1 for Ge read from file: /users/gautes/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 Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 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 1221 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) Sr 10.00 87.62000 Sr( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 382 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0075582 0.0178606 -0.0000000), wk = 0.0026178 k( 3) = ( 0.0151164 0.0357211 -0.0000000), wk = 0.0026178 k( 4) = ( 0.0226746 0.0535817 -0.0000000), wk = 0.0026178 k( 5) = ( 0.0302328 0.0714423 -0.0000000), wk = 0.0026178 k( 6) = ( 0.0377910 0.0893028 -0.0000000), wk = 0.0026178 k( 7) = ( 0.0453492 0.1071634 -0.0000000), wk = 0.0026178 k( 8) = ( 0.0529074 0.1250240 -0.0000000), wk = 0.0026178 k( 9) = ( 0.0604656 0.1428845 -0.0000000), wk = 0.0026178 k( 10) = ( 0.0680238 0.1607451 -0.0000000), wk = 0.0026178 k( 11) = ( 0.0755820 0.1786057 -0.0000000), wk = 0.0026178 k( 12) = ( 0.0831402 0.1964663 -0.0000000), wk = 0.0026178 k( 13) = ( 0.0906984 0.2143268 -0.0000000), wk = 0.0026178 k( 14) = ( 0.0982567 0.2321874 -0.0000000), wk = 0.0026178 k( 15) = ( 0.1058149 0.2500480 -0.0000000), wk = 0.0026178 k( 16) = ( 0.1133731 0.2679085 -0.0000000), wk = 0.0026178 k( 17) = ( 0.1209313 0.2857691 -0.0000000), wk = 0.0026178 k( 18) = ( 0.1284895 0.3036297 -0.0000000), wk = 0.0026178 k( 19) = ( 0.1360477 0.3214902 -0.0000000), wk = 0.0026178 k( 20) = ( 0.1436059 0.3393508 -0.0000000), wk = 0.0026178 k( 21) = ( 0.1511641 0.3572114 -0.0000000), wk = 0.0026178 k( 22) = ( 0.1587223 0.3750719 -0.0000000), wk = 0.0026178 k( 23) = ( 0.1662805 0.3929325 -0.0000000), wk = 0.0026178 k( 24) = ( 0.1738387 0.4107931 -0.0000000), wk = 0.0026178 k( 25) = ( 0.1813969 0.4286536 -0.0000000), wk = 0.0026178 k( 26) = ( 0.1889551 0.4465142 -0.0000000), wk = 0.0026178 k( 27) = ( 0.1965133 0.4643748 -0.0000000), wk = 0.0026178 k( 28) = ( 0.2040715 0.4822354 -0.0000000), wk = 0.0026178 k( 29) = ( 0.2116297 0.5000959 -0.0000000), wk = 0.0026178 k( 30) = ( 0.2191879 0.5179565 -0.0000000), wk = 0.0026178 k( 31) = ( 0.2267461 0.5358171 -0.0000000), wk = 0.0026178 k( 32) = ( 0.2343043 0.5536776 -0.0000000), wk = 0.0026178 k( 33) = ( 0.2418625 0.5715382 -0.0000000), wk = 0.0026178 k( 34) = ( 0.2494207 0.5893988 -0.0000000), wk = 0.0026178 k( 35) = ( 0.2569789 0.6072593 -0.0000000), wk = 0.0026178 k( 36) = ( 0.2645371 0.6251199 -0.0000000), wk = 0.0026178 k( 37) = ( 0.2720953 0.6429805 -0.0000000), wk = 0.0026178 k( 38) = ( 0.2796535 0.6608411 -0.0000000), wk = 0.0026178 k( 39) = ( 0.2872117 0.6787016 -0.0000000), wk = 0.0026178 k( 40) = ( 0.2947700 0.6965622 -0.0000000), wk = 0.0026178 k( 41) = ( 0.2947700 0.6965622 -0.0000000), wk = 0.0026178 k( 42) = ( 0.2751186 0.6965622 -0.0000000), wk = 0.0026178 k( 43) = ( 0.2554673 0.6965622 -0.0000000), wk = 0.0026178 k( 44) = ( 0.2358160 0.6965622 -0.0000000), wk = 0.0026178 k( 45) = ( 0.2161646 0.6965622 -0.0000000), wk = 0.0026178 k( 46) = ( 0.1965133 0.6965622 -0.0000000), wk = 0.0026178 k( 47) = ( 0.1768620 0.6965622 -0.0000000), wk = 0.0026178 k( 48) = ( 0.1572106 0.6965622 -0.0000000), wk = 0.0026178 k( 49) = ( 0.1375593 0.6965622 -0.0000000), wk = 0.0026178 k( 50) = ( 0.1179080 0.6965622 -0.0000000), wk = 0.0026178 k( 51) = ( 0.0982567 0.6965622 -0.0000000), wk = 0.0026178 k( 52) = ( 0.0786053 0.6965622 -0.0000000), wk = 0.0026178 k( 53) = ( 0.0589540 0.6965622 -0.0000000), wk = 0.0026178 k( 54) = ( 0.0393027 0.6965622 -0.0000000), wk = 0.0026178 k( 55) = ( 0.0196513 0.6965622 -0.0000000), wk = 0.0026178 k( 56) = ( 0.0000000 0.6965622 -0.0000000), wk = 0.0026178 k( 57) = ( 0.0000000 0.6965622 -0.0000000), wk = 0.0026178 k( 58) = ( 0.0000000 0.6965622 0.0195267), wk = 0.0026178 k( 59) = ( 0.0000000 0.6965622 0.0390533), wk = 0.0026178 k( 60) = ( 0.0000000 0.6965622 0.0585800), wk = 0.0026178 k( 61) = ( 0.0000000 0.6965622 0.0781067), wk = 0.0026178 k( 62) = ( 0.0000000 0.6965622 0.0976334), wk = 0.0026178 k( 63) = ( 0.0000000 0.6965622 0.1171600), wk = 0.0026178 k( 64) = ( 0.0000000 0.6965622 0.1366867), wk = 0.0026178 k( 65) = ( 0.0000000 0.6965622 0.1562134), wk = 0.0026178 k( 66) = ( 0.0000000 0.6965622 0.1757400), wk = 0.0026178 k( 67) = ( 0.0000000 0.6965622 0.1952667), wk = 0.0026178 k( 68) = ( 0.0000000 0.6965622 0.2147934), wk = 0.0026178 k( 69) = ( 0.0000000 0.6965622 0.2343201), wk = 0.0026178 k( 70) = ( 0.0000000 0.6965622 0.2538467), wk = 0.0026178 k( 71) = ( 0.0000000 0.6965622 0.2733734), wk = 0.0026178 k( 72) = ( 0.0000000 0.6965622 0.2929001), wk = 0.0026178 k( 73) = ( 0.0000000 0.6965622 0.3124268), wk = 0.0026178 k( 74) = ( 0.0000000 0.6965622 0.3319534), wk = 0.0026178 k( 75) = ( 0.0000000 0.6965622 0.3514801), wk = 0.0026178 k( 76) = ( 0.0000000 0.6965622 0.3710068), wk = 0.0026178 k( 77) = ( 0.0000000 0.6965622 0.3905334), wk = 0.0026178 k( 78) = ( 0.0000000 0.6965622 0.4100601), wk = 0.0026178 k( 79) = ( 0.0000000 0.6965622 0.4295868), wk = 0.0026178 k( 80) = ( 0.0000000 0.6965622 0.4491135), wk = 0.0026178 k( 81) = ( 0.0000000 0.6965622 0.4686401), wk = 0.0026178 k( 82) = ( 0.0000000 0.6965622 0.4881668), wk = 0.0026178 k( 83) = ( 0.0000000 0.6965622 0.5076935), wk = 0.0026178 k( 84) = ( 0.0000000 0.6965622 0.5272202), wk = 0.0026178 k( 85) = ( 0.0000000 0.6965622 0.5467468), wk = 0.0026178 k( 86) = ( 0.0000000 0.6965622 0.5662735), wk = 0.0026178 k( 87) = ( 0.0000000 0.6965622 0.5858002), wk = 0.0026178 k( 88) = ( 0.0000000 0.6965622 0.6053268), wk = 0.0026178 k( 89) = ( 0.0000000 0.6965622 0.6248535), wk = 0.0026178 k( 90) = ( 0.0000000 0.6965622 0.6443802), wk = 0.0026178 k( 91) = ( 0.0000000 0.6965622 0.6639069), wk = 0.0026178 k( 92) = ( 0.0000000 0.6965622 0.6834335), wk = 0.0026178 k( 93) = ( 0.0000000 0.6965622 0.7029602), wk = 0.0026178 k( 94) = ( 0.0000000 0.6965622 0.7224869), wk = 0.0026178 k( 95) = ( 0.0000000 0.6965622 0.7420135), wk = 0.0026178 k( 96) = ( 0.0000000 0.6965622 0.7420135), wk = 0.0026178 k( 97) = ( 0.0196513 0.6965622 0.7420135), wk = 0.0026178 k( 98) = ( 0.0393027 0.6965622 0.7420135), wk = 0.0026178 k( 99) = ( 0.0589540 0.6965622 0.7420135), wk = 0.0026178 k( 100) = ( 0.0786053 0.6965622 0.7420135), wk = 0.0026178 k( 101) = ( 0.0982567 0.6965622 0.7420135), wk = 0.0026178 k( 102) = ( 0.1179080 0.6965622 0.7420135), wk = 0.0026178 k( 103) = ( 0.1375593 0.6965622 0.7420135), wk = 0.0026178 k( 104) = ( 0.1572106 0.6965622 0.7420135), wk = 0.0026178 k( 105) = ( 0.1768620 0.6965622 0.7420135), wk = 0.0026178 k( 106) = ( 0.1965133 0.6965622 0.7420135), wk = 0.0026178 k( 107) = ( 0.2161646 0.6965622 0.7420135), wk = 0.0026178 k( 108) = ( 0.2358160 0.6965622 0.7420135), wk = 0.0026178 k( 109) = ( 0.2554673 0.6965622 0.7420135), wk = 0.0026178 k( 110) = ( 0.2751186 0.6965622 0.7420135), wk = 0.0026178 k( 111) = ( 0.2947700 0.6965622 0.7420135), wk = 0.0026178 k( 112) = ( 0.2947700 0.6965622 0.7420135), wk = 0.0026178 k( 113) = ( 0.2872117 0.6787016 0.7420135), wk = 0.0026178 k( 114) = ( 0.2796535 0.6608411 0.7420135), wk = 0.0026178 k( 115) = ( 0.2720953 0.6429805 0.7420135), wk = 0.0026178 k( 116) = ( 0.2645371 0.6251199 0.7420135), wk = 0.0026178 k( 117) = ( 0.2569789 0.6072593 0.7420135), wk = 0.0026178 k( 118) = ( 0.2494207 0.5893988 0.7420135), wk = 0.0026178 k( 119) = ( 0.2418625 0.5715382 0.7420135), wk = 0.0026178 k( 120) = ( 0.2343043 0.5536776 0.7420135), wk = 0.0026178 k( 121) = ( 0.2267461 0.5358171 0.7420135), wk = 0.0026178 k( 122) = ( 0.2191879 0.5179565 0.7420135), wk = 0.0026178 k( 123) = ( 0.2116297 0.5000959 0.7420135), wk = 0.0026178 k( 124) = ( 0.2040715 0.4822354 0.7420135), wk = 0.0026178 k( 125) = ( 0.1965133 0.4643748 0.7420135), wk = 0.0026178 k( 126) = ( 0.1889551 0.4465142 0.7420135), wk = 0.0026178 k( 127) = ( 0.1813969 0.4286536 0.7420135), wk = 0.0026178 k( 128) = ( 0.1738387 0.4107931 0.7420135), wk = 0.0026178 k( 129) = ( 0.1662805 0.3929325 0.7420135), wk = 0.0026178 k( 130) = ( 0.1587223 0.3750719 0.7420135), wk = 0.0026178 k( 131) = ( 0.1511641 0.3572114 0.7420135), wk = 0.0026178 k( 132) = ( 0.1436059 0.3393508 0.7420135), wk = 0.0026178 k( 133) = ( 0.1360477 0.3214902 0.7420135), wk = 0.0026178 k( 134) = ( 0.1284895 0.3036297 0.7420135), wk = 0.0026178 k( 135) = ( 0.1209313 0.2857691 0.7420135), wk = 0.0026178 k( 136) = ( 0.1133731 0.2679085 0.7420135), wk = 0.0026178 k( 137) = ( 0.1058149 0.2500480 0.7420135), wk = 0.0026178 k( 138) = ( 0.0982567 0.2321874 0.7420135), wk = 0.0026178 k( 139) = ( 0.0906984 0.2143268 0.7420135), wk = 0.0026178 k( 140) = ( 0.0831402 0.1964663 0.7420135), wk = 0.0026178 k( 141) = ( 0.0755820 0.1786057 0.7420135), wk = 0.0026178 k( 142) = ( 0.0680238 0.1607451 0.7420135), wk = 0.0026178 k( 143) = ( 0.0604656 0.1428845 0.7420135), wk = 0.0026178 k( 144) = ( 0.0529074 0.1250240 0.7420135), wk = 0.0026178 k( 145) = ( 0.0453492 0.1071634 0.7420135), wk = 0.0026178 k( 146) = ( 0.0377910 0.0893028 0.7420135), wk = 0.0026178 k( 147) = ( 0.0302328 0.0714423 0.7420135), wk = 0.0026178 k( 148) = ( 0.0226746 0.0535817 0.7420135), wk = 0.0026178 k( 149) = ( 0.0151164 0.0357211 0.7420135), wk = 0.0026178 k( 150) = ( 0.0075582 0.0178606 0.7420135), wk = 0.0026178 k( 151) = ( 0.0000000 0.0000000 0.7420135), wk = 0.0026178 k( 152) = ( 0.0000000 0.0000000 0.7420135), wk = 0.0026178 k( 153) = ( 0.0000000 0.0000000 0.7224869), wk = 0.0026178 k( 154) = ( 0.0000000 0.0000000 0.7029602), wk = 0.0026178 k( 155) = ( 0.0000000 0.0000000 0.6834335), wk = 0.0026178 k( 156) = ( 0.0000000 0.0000000 0.6639069), wk = 0.0026178 k( 157) = ( 0.0000000 0.0000000 0.6443802), wk = 0.0026178 k( 158) = ( 0.0000000 0.0000000 0.6248535), wk = 0.0026178 k( 159) = ( 0.0000000 0.0000000 0.6053268), wk = 0.0026178 k( 160) = ( 0.0000000 0.0000000 0.5858002), wk = 0.0026178 k( 161) = ( 0.0000000 0.0000000 0.5662735), wk = 0.0026178 k( 162) = ( 0.0000000 0.0000000 0.5467468), wk = 0.0026178 k( 163) = ( 0.0000000 0.0000000 0.5272202), wk = 0.0026178 k( 164) = ( 0.0000000 0.0000000 0.5076935), wk = 0.0026178 k( 165) = ( 0.0000000 0.0000000 0.4881668), wk = 0.0026178 k( 166) = ( 0.0000000 0.0000000 0.4686401), wk = 0.0026178 k( 167) = ( 0.0000000 0.0000000 0.4491135), wk = 0.0026178 k( 168) = ( 0.0000000 0.0000000 0.4295868), wk = 0.0026178 k( 169) = ( 0.0000000 0.0000000 0.4100601), wk = 0.0026178 k( 170) = ( 0.0000000 0.0000000 0.3905334), wk = 0.0026178 k( 171) = ( 0.0000000 0.0000000 0.3710068), wk = 0.0026178 k( 172) = ( 0.0000000 0.0000000 0.3514801), wk = 0.0026178 k( 173) = ( 0.0000000 0.0000000 0.3319534), wk = 0.0026178 k( 174) = ( 0.0000000 0.0000000 0.3124268), wk = 0.0026178 k( 175) = ( 0.0000000 0.0000000 0.2929001), wk = 0.0026178 k( 176) = ( 0.0000000 0.0000000 0.2733734), wk = 0.0026178 k( 177) = ( 0.0000000 0.0000000 0.2538467), wk = 0.0026178 k( 178) = ( 0.0000000 0.0000000 0.2343201), wk = 0.0026178 k( 179) = ( 0.0000000 0.0000000 0.2147934), wk = 0.0026178 k( 180) = ( 0.0000000 0.0000000 0.1952667), wk = 0.0026178 k( 181) = ( 0.0000000 0.0000000 0.1757400), wk = 0.0026178 k( 182) = ( 0.0000000 0.0000000 0.1562134), wk = 0.0026178 k( 183) = ( 0.0000000 0.0000000 0.1366867), wk = 0.0026178 k( 184) = ( 0.0000000 0.0000000 0.1171600), wk = 0.0026178 k( 185) = ( 0.0000000 0.0000000 0.0976334), wk = 0.0026178 k( 186) = ( 0.0000000 0.0000000 0.0781067), wk = 0.0026178 k( 187) = ( 0.0000000 0.0000000 0.0585800), wk = 0.0026178 k( 188) = ( 0.0000000 0.0000000 0.0390533), wk = 0.0026178 k( 189) = ( 0.0000000 0.0000000 0.0195267), wk = 0.0026178 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 192) = ( -0.0178571 0.0075568 0.0000000), wk = 0.0026178 k( 193) = ( -0.0357143 0.0151135 0.0000000), wk = 0.0026178 k( 194) = ( -0.0535714 0.0226703 0.0000000), wk = 0.0026178 k( 195) = ( -0.0714286 0.0302270 0.0000000), wk = 0.0026178 k( 196) = ( -0.0892857 0.0377838 0.0000000), wk = 0.0026178 k( 197) = ( -0.1071429 0.0453405 0.0000000), wk = 0.0026178 k( 198) = ( -0.1250000 0.0528973 0.0000000), wk = 0.0026178 k( 199) = ( -0.1428571 0.0604540 0.0000000), wk = 0.0026178 k( 200) = ( -0.1607143 0.0680108 0.0000000), wk = 0.0026178 k( 201) = ( -0.1785714 0.0755675 0.0000000), wk = 0.0026178 k( 202) = ( -0.1964286 0.0831243 0.0000000), wk = 0.0026178 k( 203) = ( -0.2142857 0.0906810 0.0000000), wk = 0.0026178 k( 204) = ( -0.2321429 0.0982378 0.0000000), wk = 0.0026178 k( 205) = ( -0.2500000 0.1057946 0.0000000), wk = 0.0026178 k( 206) = ( -0.2678571 0.1133513 0.0000000), wk = 0.0026178 k( 207) = ( -0.2857143 0.1209081 0.0000000), wk = 0.0026178 k( 208) = ( -0.3035714 0.1284648 0.0000000), wk = 0.0026178 k( 209) = ( -0.3214286 0.1360216 0.0000000), wk = 0.0026178 k( 210) = ( -0.3392857 0.1435783 0.0000000), wk = 0.0026178 k( 211) = ( -0.3571429 0.1511351 0.0000000), wk = 0.0026178 k( 212) = ( -0.3750000 0.1586918 0.0000000), wk = 0.0026178 k( 213) = ( -0.3928571 0.1662486 0.0000000), wk = 0.0026178 k( 214) = ( -0.4107143 0.1738053 0.0000000), wk = 0.0026178 k( 215) = ( -0.4285714 0.1813621 0.0000000), wk = 0.0026178 k( 216) = ( -0.4464286 0.1889189 0.0000000), wk = 0.0026178 k( 217) = ( -0.4642857 0.1964756 0.0000000), wk = 0.0026178 k( 218) = ( -0.4821429 0.2040324 0.0000000), wk = 0.0026178 k( 219) = ( -0.5000000 0.2115891 0.0000000), wk = 0.0026178 k( 220) = ( -0.5000000 0.2115891 0.0000000), wk = 0.0026178 k( 221) = ( -0.4923989 0.2295511 -0.0000000), wk = 0.0026178 k( 222) = ( -0.4847978 0.2475131 -0.0000000), wk = 0.0026178 k( 223) = ( -0.4771967 0.2654750 -0.0000000), wk = 0.0026178 k( 224) = ( -0.4695955 0.2834370 -0.0000000), wk = 0.0026178 k( 225) = ( -0.4619944 0.3013989 -0.0000000), wk = 0.0026178 k( 226) = ( -0.4543933 0.3193609 -0.0000000), wk = 0.0026178 k( 227) = ( -0.4467922 0.3373229 -0.0000000), wk = 0.0026178 k( 228) = ( -0.4391911 0.3552848 -0.0000000), wk = 0.0026178 k( 229) = ( -0.4315900 0.3732468 -0.0000000), wk = 0.0026178 k( 230) = ( -0.4239889 0.3912088 -0.0000000), wk = 0.0026178 k( 231) = ( -0.4163878 0.4091707 -0.0000000), wk = 0.0026178 k( 232) = ( -0.4087866 0.4271327 -0.0000000), wk = 0.0026178 k( 233) = ( -0.4011855 0.4450947 -0.0000000), wk = 0.0026178 k( 234) = ( -0.3935844 0.4630566 -0.0000000), wk = 0.0026178 k( 235) = ( -0.3859833 0.4810186 -0.0000000), wk = 0.0026178 k( 236) = ( -0.3783822 0.4989806 -0.0000000), wk = 0.0026178 k( 237) = ( -0.3707811 0.5169425 -0.0000000), wk = 0.0026178 k( 238) = ( -0.3631800 0.5349045 -0.0000000), wk = 0.0026178 k( 239) = ( -0.3555789 0.5528665 -0.0000000), wk = 0.0026178 k( 240) = ( -0.3479777 0.5708284 -0.0000000), wk = 0.0026178 k( 241) = ( -0.3403766 0.5887904 -0.0000000), wk = 0.0026178 k( 242) = ( -0.3327755 0.6067524 -0.0000000), wk = 0.0026178 k( 243) = ( -0.3251744 0.6247143 -0.0000000), wk = 0.0026178 k( 244) = ( -0.3175733 0.6426763 -0.0000000), wk = 0.0026178 k( 245) = ( -0.3099722 0.6606383 -0.0000000), wk = 0.0026178 k( 246) = ( -0.3023711 0.6786002 -0.0000000), wk = 0.0026178 k( 247) = ( -0.2947700 0.6965622 -0.0000000), wk = 0.0026178 k( 248) = ( -0.2947700 0.6965622 -0.0000000), wk = 0.0026178 k( 249) = ( -0.2947700 0.6965622 0.0195267), wk = 0.0026178 k( 250) = ( -0.2947700 0.6965622 0.0390533), wk = 0.0026178 k( 251) = ( -0.2947700 0.6965622 0.0585800), wk = 0.0026178 k( 252) = ( -0.2947700 0.6965622 0.0781067), wk = 0.0026178 k( 253) = ( -0.2947700 0.6965622 0.0976334), wk = 0.0026178 k( 254) = ( -0.2947700 0.6965622 0.1171600), wk = 0.0026178 k( 255) = ( -0.2947700 0.6965622 0.1366867), wk = 0.0026178 k( 256) = ( -0.2947700 0.6965622 0.1562134), wk = 0.0026178 k( 257) = ( -0.2947700 0.6965622 0.1757400), wk = 0.0026178 k( 258) = ( -0.2947700 0.6965622 0.1952667), wk = 0.0026178 k( 259) = ( -0.2947700 0.6965622 0.2147934), wk = 0.0026178 k( 260) = ( -0.2947700 0.6965622 0.2343201), wk = 0.0026178 k( 261) = ( -0.2947700 0.6965622 0.2538467), wk = 0.0026178 k( 262) = ( -0.2947700 0.6965622 0.2733734), wk = 0.0026178 k( 263) = ( -0.2947700 0.6965622 0.2929001), wk = 0.0026178 k( 264) = ( -0.2947700 0.6965622 0.3124268), wk = 0.0026178 k( 265) = ( -0.2947700 0.6965622 0.3319534), wk = 0.0026178 k( 266) = ( -0.2947700 0.6965622 0.3514801), wk = 0.0026178 k( 267) = ( -0.2947700 0.6965622 0.3710068), wk = 0.0026178 k( 268) = ( -0.2947700 0.6965622 0.3905334), wk = 0.0026178 k( 269) = ( -0.2947700 0.6965622 0.4100601), wk = 0.0026178 k( 270) = ( -0.2947700 0.6965622 0.4295868), wk = 0.0026178 k( 271) = ( -0.2947700 0.6965622 0.4491135), wk = 0.0026178 k( 272) = ( -0.2947700 0.6965622 0.4686401), wk = 0.0026178 k( 273) = ( -0.2947700 0.6965622 0.4881668), wk = 0.0026178 k( 274) = ( -0.2947700 0.6965622 0.5076935), wk = 0.0026178 k( 275) = ( -0.2947700 0.6965622 0.5272202), wk = 0.0026178 k( 276) = ( -0.2947700 0.6965622 0.5467468), wk = 0.0026178 k( 277) = ( -0.2947700 0.6965622 0.5662735), wk = 0.0026178 k( 278) = ( -0.2947700 0.6965622 0.5858002), wk = 0.0026178 k( 279) = ( -0.2947700 0.6965622 0.6053268), wk = 0.0026178 k( 280) = ( -0.2947700 0.6965622 0.6248535), wk = 0.0026178 k( 281) = ( -0.2947700 0.6965622 0.6443802), wk = 0.0026178 k( 282) = ( -0.2947700 0.6965622 0.6639069), wk = 0.0026178 k( 283) = ( -0.2947700 0.6965622 0.6834335), wk = 0.0026178 k( 284) = ( -0.2947700 0.6965622 0.7029602), wk = 0.0026178 k( 285) = ( -0.2947700 0.6965622 0.7224869), wk = 0.0026178 k( 286) = ( -0.2947700 0.6965622 0.7420135), wk = 0.0026178 k( 287) = ( -0.2947700 0.6965622 0.7420135), wk = 0.0026178 k( 288) = ( -0.3023711 0.6786002 0.7420135), wk = 0.0026178 k( 289) = ( -0.3099722 0.6606383 0.7420135), wk = 0.0026178 k( 290) = ( -0.3175733 0.6426763 0.7420135), wk = 0.0026178 k( 291) = ( -0.3251744 0.6247143 0.7420135), wk = 0.0026178 k( 292) = ( -0.3327755 0.6067524 0.7420135), wk = 0.0026178 k( 293) = ( -0.3403766 0.5887904 0.7420135), wk = 0.0026178 k( 294) = ( -0.3479777 0.5708284 0.7420135), wk = 0.0026178 k( 295) = ( -0.3555789 0.5528665 0.7420135), wk = 0.0026178 k( 296) = ( -0.3631800 0.5349045 0.7420135), wk = 0.0026178 k( 297) = ( -0.3707811 0.5169425 0.7420135), wk = 0.0026178 k( 298) = ( -0.3783822 0.4989806 0.7420135), wk = 0.0026178 k( 299) = ( -0.3859833 0.4810186 0.7420135), wk = 0.0026178 k( 300) = ( -0.3935844 0.4630566 0.7420135), wk = 0.0026178 k( 301) = ( -0.4011855 0.4450947 0.7420135), wk = 0.0026178 k( 302) = ( -0.4087866 0.4271327 0.7420135), wk = 0.0026178 k( 303) = ( -0.4163878 0.4091707 0.7420135), wk = 0.0026178 k( 304) = ( -0.4239889 0.3912088 0.7420135), wk = 0.0026178 k( 305) = ( -0.4315900 0.3732468 0.7420135), wk = 0.0026178 k( 306) = ( -0.4391911 0.3552848 0.7420135), wk = 0.0026178 k( 307) = ( -0.4467922 0.3373229 0.7420135), wk = 0.0026178 k( 308) = ( -0.4543933 0.3193609 0.7420135), wk = 0.0026178 k( 309) = ( -0.4619944 0.3013989 0.7420135), wk = 0.0026178 k( 310) = ( -0.4695955 0.2834370 0.7420135), wk = 0.0026178 k( 311) = ( -0.4771967 0.2654750 0.7420135), wk = 0.0026178 k( 312) = ( -0.4847978 0.2475131 0.7420135), wk = 0.0026178 k( 313) = ( -0.4923989 0.2295511 0.7420135), wk = 0.0026178 k( 314) = ( -0.5000000 0.2115891 0.7420135), wk = 0.0026178 k( 315) = ( -0.5000000 0.2115891 0.7420135), wk = 0.0026178 k( 316) = ( -0.5000000 0.2115891 0.7224869), wk = 0.0026178 k( 317) = ( -0.5000000 0.2115891 0.7029602), wk = 0.0026178 k( 318) = ( -0.5000000 0.2115891 0.6834335), wk = 0.0026178 k( 319) = ( -0.5000000 0.2115891 0.6639069), wk = 0.0026178 k( 320) = ( -0.5000000 0.2115891 0.6443802), wk = 0.0026178 k( 321) = ( -0.5000000 0.2115891 0.6248535), wk = 0.0026178 k( 322) = ( -0.5000000 0.2115891 0.6053268), wk = 0.0026178 k( 323) = ( -0.5000000 0.2115891 0.5858002), wk = 0.0026178 k( 324) = ( -0.5000000 0.2115891 0.5662735), wk = 0.0026178 k( 325) = ( -0.5000000 0.2115891 0.5467468), wk = 0.0026178 k( 326) = ( -0.5000000 0.2115891 0.5272202), wk = 0.0026178 k( 327) = ( -0.5000000 0.2115891 0.5076935), wk = 0.0026178 k( 328) = ( -0.5000000 0.2115891 0.4881668), wk = 0.0026178 k( 329) = ( -0.5000000 0.2115891 0.4686401), wk = 0.0026178 k( 330) = ( -0.5000000 0.2115891 0.4491135), wk = 0.0026178 k( 331) = ( -0.5000000 0.2115891 0.4295868), wk = 0.0026178 k( 332) = ( -0.5000000 0.2115891 0.4100601), wk = 0.0026178 k( 333) = ( -0.5000000 0.2115891 0.3905334), wk = 0.0026178 k( 334) = ( -0.5000000 0.2115891 0.3710068), wk = 0.0026178 k( 335) = ( -0.5000000 0.2115891 0.3514801), wk = 0.0026178 k( 336) = ( -0.5000000 0.2115891 0.3319534), wk = 0.0026178 k( 337) = ( -0.5000000 0.2115891 0.3124268), wk = 0.0026178 k( 338) = ( -0.5000000 0.2115891 0.2929001), wk = 0.0026178 k( 339) = ( -0.5000000 0.2115891 0.2733734), wk = 0.0026178 k( 340) = ( -0.5000000 0.2115891 0.2538467), wk = 0.0026178 k( 341) = ( -0.5000000 0.2115891 0.2343201), wk = 0.0026178 k( 342) = ( -0.5000000 0.2115891 0.2147934), wk = 0.0026178 k( 343) = ( -0.5000000 0.2115891 0.1952667), wk = 0.0026178 k( 344) = ( -0.5000000 0.2115891 0.1757400), wk = 0.0026178 k( 345) = ( -0.5000000 0.2115891 0.1562134), wk = 0.0026178 k( 346) = ( -0.5000000 0.2115891 0.1366867), wk = 0.0026178 k( 347) = ( -0.5000000 0.2115891 0.1171600), wk = 0.0026178 k( 348) = ( -0.5000000 0.2115891 0.0976334), wk = 0.0026178 k( 349) = ( -0.5000000 0.2115891 0.0781067), wk = 0.0026178 k( 350) = ( -0.5000000 0.2115891 0.0585800), wk = 0.0026178 k( 351) = ( -0.5000000 0.2115891 0.0390533), wk = 0.0026178 k( 352) = ( -0.5000000 0.2115891 0.0195267), wk = 0.0026178 k( 353) = ( -0.5000000 0.2115891 0.0000000), wk = 0.0026178 k( 354) = ( 0.0000000 0.0000000 0.7420135), wk = 0.0026178 k( 355) = ( -0.0178571 0.0075568 0.7420135), wk = 0.0026178 k( 356) = ( -0.0357143 0.0151135 0.7420135), wk = 0.0026178 k( 357) = ( -0.0535714 0.0226703 0.7420135), wk = 0.0026178 k( 358) = ( -0.0714286 0.0302270 0.7420135), wk = 0.0026178 k( 359) = ( -0.0892857 0.0377838 0.7420135), wk = 0.0026178 k( 360) = ( -0.1071429 0.0453405 0.7420135), wk = 0.0026178 k( 361) = ( -0.1250000 0.0528973 0.7420135), wk = 0.0026178 k( 362) = ( -0.1428571 0.0604540 0.7420135), wk = 0.0026178 k( 363) = ( -0.1607143 0.0680108 0.7420135), wk = 0.0026178 k( 364) = ( -0.1785714 0.0755675 0.7420135), wk = 0.0026178 k( 365) = ( -0.1964286 0.0831243 0.7420135), wk = 0.0026178 k( 366) = ( -0.2142857 0.0906810 0.7420135), wk = 0.0026178 k( 367) = ( -0.2321429 0.0982378 0.7420135), wk = 0.0026178 k( 368) = ( -0.2500000 0.1057946 0.7420135), wk = 0.0026178 k( 369) = ( -0.2678571 0.1133513 0.7420135), wk = 0.0026178 k( 370) = ( -0.2857143 0.1209081 0.7420135), wk = 0.0026178 k( 371) = ( -0.3035714 0.1284648 0.7420135), wk = 0.0026178 k( 372) = ( -0.3214286 0.1360216 0.7420135), wk = 0.0026178 k( 373) = ( -0.3392857 0.1435783 0.7420135), wk = 0.0026178 k( 374) = ( -0.3571429 0.1511351 0.7420135), wk = 0.0026178 k( 375) = ( -0.3750000 0.1586918 0.7420135), wk = 0.0026178 k( 376) = ( -0.3928571 0.1662486 0.7420135), wk = 0.0026178 k( 377) = ( -0.4107143 0.1738053 0.7420135), wk = 0.0026178 k( 378) = ( -0.4285714 0.1813621 0.7420135), wk = 0.0026178 k( 379) = ( -0.4464286 0.1889189 0.7420135), wk = 0.0026178 k( 380) = ( -0.4642857 0.1964756 0.7420135), wk = 0.0026178 k( 381) = ( -0.4821429 0.2040324 0.7420135), wk = 0.0026178 k( 382) = ( -0.5000000 0.2115891 0.7420135), wk = 0.0026178 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 2) = ( 0.0075582 0.0075582 0.0000000), wk = 0.0026178 k( 3) = ( 0.0151164 0.0151164 -0.0000000), wk = 0.0026178 k( 4) = ( 0.0226746 0.0226746 0.0000000), wk = 0.0026178 k( 5) = ( 0.0302328 0.0302328 -0.0000000), wk = 0.0026178 k( 6) = ( 0.0377910 0.0377910 0.0000000), wk = 0.0026178 k( 7) = ( 0.0453492 0.0453492 0.0000000), wk = 0.0026178 k( 8) = ( 0.0529074 0.0529074 0.0000000), wk = 0.0026178 k( 9) = ( 0.0604656 0.0604656 -0.0000000), wk = 0.0026178 k( 10) = ( 0.0680238 0.0680238 0.0000000), wk = 0.0026178 k( 11) = ( 0.0755820 0.0755820 0.0000000), wk = 0.0026178 k( 12) = ( 0.0831402 0.0831402 -0.0000000), wk = 0.0026178 k( 13) = ( 0.0906984 0.0906984 0.0000000), wk = 0.0026178 k( 14) = ( 0.0982567 0.0982567 0.0000000), wk = 0.0026178 k( 15) = ( 0.1058149 0.1058149 0.0000000), wk = 0.0026178 k( 16) = ( 0.1133731 0.1133731 -0.0000000), wk = 0.0026178 k( 17) = ( 0.1209313 0.1209313 -0.0000000), wk = 0.0026178 k( 18) = ( 0.1284895 0.1284895 0.0000000), wk = 0.0026178 k( 19) = ( 0.1360477 0.1360477 0.0000000), wk = 0.0026178 k( 20) = ( 0.1436059 0.1436059 0.0000000), wk = 0.0026178 k( 21) = ( 0.1511641 0.1511641 0.0000000), wk = 0.0026178 k( 22) = ( 0.1587223 0.1587223 0.0000000), wk = 0.0026178 k( 23) = ( 0.1662805 0.1662805 -0.0000000), wk = 0.0026178 k( 24) = ( 0.1738387 0.1738387 0.0000000), wk = 0.0026178 k( 25) = ( 0.1813969 0.1813969 -0.0000000), wk = 0.0026178 k( 26) = ( 0.1889551 0.1889551 0.0000000), wk = 0.0026178 k( 27) = ( 0.1965133 0.1965133 0.0000000), wk = 0.0026178 k( 28) = ( 0.2040715 0.2040715 0.0000000), wk = 0.0026178 k( 29) = ( 0.2116297 0.2116297 -0.0000000), wk = 0.0026178 k( 30) = ( 0.2191879 0.2191879 0.0000000), wk = 0.0026178 k( 31) = ( 0.2267461 0.2267461 -0.0000000), wk = 0.0026178 k( 32) = ( 0.2343043 0.2343043 -0.0000000), wk = 0.0026178 k( 33) = ( 0.2418625 0.2418625 -0.0000000), wk = 0.0026178 k( 34) = ( 0.2494207 0.2494207 -0.0000000), wk = 0.0026178 k( 35) = ( 0.2569789 0.2569789 -0.0000000), wk = 0.0026178 k( 36) = ( 0.2645371 0.2645371 -0.0000000), wk = 0.0026178 k( 37) = ( 0.2720953 0.2720953 0.0000000), wk = 0.0026178 k( 38) = ( 0.2796535 0.2796535 -0.0000000), wk = 0.0026178 k( 39) = ( 0.2872117 0.2872117 0.0000000), wk = 0.0026178 k( 40) = ( 0.2947700 0.2947699 0.0000000), wk = 0.0026178 k( 41) = ( 0.2947700 0.2947699 0.0000000), wk = 0.0026178 k( 42) = ( 0.2751186 0.3084520 0.0000000), wk = 0.0026178 k( 43) = ( 0.2554673 0.3221340 0.0000000), wk = 0.0026178 k( 44) = ( 0.2358160 0.3358160 -0.0000000), wk = 0.0026178 k( 45) = ( 0.2161646 0.3494980 0.0000000), wk = 0.0026178 k( 46) = ( 0.1965133 0.3631800 0.0000000), wk = 0.0026178 k( 47) = ( 0.1768620 0.3768620 -0.0000000), wk = 0.0026178 k( 48) = ( 0.1572106 0.3905440 -0.0000000), wk = 0.0026178 k( 49) = ( 0.1375593 0.4042260 -0.0000000), wk = 0.0026178 k( 50) = ( 0.1179080 0.4179080 0.0000000), wk = 0.0026178 k( 51) = ( 0.0982567 0.4315900 0.0000000), wk = 0.0026178 k( 52) = ( 0.0786053 0.4452720 -0.0000000), wk = 0.0026178 k( 53) = ( 0.0589540 0.4589540 -0.0000000), wk = 0.0026178 k( 54) = ( 0.0393027 0.4726360 0.0000000), wk = 0.0026178 k( 55) = ( 0.0196513 0.4863180 0.0000000), wk = 0.0026178 k( 56) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026178 k( 57) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026178 k( 58) = ( 0.0000000 0.5000000 0.0131579), wk = 0.0026178 k( 59) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0026178 k( 60) = ( 0.0000000 0.5000000 0.0394737), wk = 0.0026178 k( 61) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0026178 k( 62) = ( 0.0000000 0.5000000 0.0657895), wk = 0.0026178 k( 63) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0026178 k( 64) = ( 0.0000000 0.5000000 0.0921053), wk = 0.0026178 k( 65) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0026178 k( 66) = ( 0.0000000 0.5000000 0.1184210), wk = 0.0026178 k( 67) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0026178 k( 68) = ( 0.0000000 0.5000000 0.1447368), wk = 0.0026178 k( 69) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0026178 k( 70) = ( 0.0000000 0.5000000 0.1710526), wk = 0.0026178 k( 71) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0026178 k( 72) = ( 0.0000000 0.5000000 0.1973684), wk = 0.0026178 k( 73) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0026178 k( 74) = ( 0.0000000 0.5000000 0.2236842), wk = 0.0026178 k( 75) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0026178 k( 76) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0026178 k( 77) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0026178 k( 78) = ( 0.0000000 0.5000000 0.2763158), wk = 0.0026178 k( 79) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0026178 k( 80) = ( 0.0000000 0.5000000 0.3026316), wk = 0.0026178 k( 81) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0026178 k( 82) = ( 0.0000000 0.5000000 0.3289474), wk = 0.0026178 k( 83) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0026178 k( 84) = ( 0.0000000 0.5000000 0.3552632), wk = 0.0026178 k( 85) = ( 0.0000000 0.5000000 0.3684211), wk = 0.0026178 k( 86) = ( 0.0000000 0.5000000 0.3815789), wk = 0.0026178 k( 87) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0026178 k( 88) = ( 0.0000000 0.5000000 0.4078947), wk = 0.0026178 k( 89) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0026178 k( 90) = ( 0.0000000 0.5000000 0.4342105), wk = 0.0026178 k( 91) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0026178 k( 92) = ( 0.0000000 0.5000000 0.4605263), wk = 0.0026178 k( 93) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0026178 k( 94) = ( 0.0000000 0.5000000 0.4868421), wk = 0.0026178 k( 95) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026178 k( 96) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026178 k( 97) = ( 0.0196513 0.4863180 0.5000000), wk = 0.0026178 k( 98) = ( 0.0393027 0.4726360 0.5000000), wk = 0.0026178 k( 99) = ( 0.0589540 0.4589540 0.5000000), wk = 0.0026178 k( 100) = ( 0.0786053 0.4452720 0.5000000), wk = 0.0026178 k( 101) = ( 0.0982567 0.4315900 0.5000000), wk = 0.0026178 k( 102) = ( 0.1179080 0.4179080 0.5000000), wk = 0.0026178 k( 103) = ( 0.1375593 0.4042260 0.5000000), wk = 0.0026178 k( 104) = ( 0.1572106 0.3905440 0.5000000), wk = 0.0026178 k( 105) = ( 0.1768620 0.3768620 0.5000000), wk = 0.0026178 k( 106) = ( 0.1965133 0.3631800 0.5000000), wk = 0.0026178 k( 107) = ( 0.2161646 0.3494980 0.5000000), wk = 0.0026178 k( 108) = ( 0.2358160 0.3358160 0.5000000), wk = 0.0026178 k( 109) = ( 0.2554673 0.3221340 0.5000000), wk = 0.0026178 k( 110) = ( 0.2751186 0.3084520 0.5000000), wk = 0.0026178 k( 111) = ( 0.2947700 0.2947699 0.5000000), wk = 0.0026178 k( 112) = ( 0.2947700 0.2947699 0.5000000), wk = 0.0026178 k( 113) = ( 0.2872117 0.2872117 0.5000000), wk = 0.0026178 k( 114) = ( 0.2796535 0.2796535 0.5000000), wk = 0.0026178 k( 115) = ( 0.2720953 0.2720953 0.5000000), wk = 0.0026178 k( 116) = ( 0.2645371 0.2645371 0.5000000), wk = 0.0026178 k( 117) = ( 0.2569789 0.2569789 0.5000000), wk = 0.0026178 k( 118) = ( 0.2494207 0.2494207 0.5000000), wk = 0.0026178 k( 119) = ( 0.2418625 0.2418625 0.5000000), wk = 0.0026178 k( 120) = ( 0.2343043 0.2343043 0.5000000), wk = 0.0026178 k( 121) = ( 0.2267461 0.2267461 0.5000000), wk = 0.0026178 k( 122) = ( 0.2191879 0.2191879 0.5000000), wk = 0.0026178 k( 123) = ( 0.2116297 0.2116297 0.5000000), wk = 0.0026178 k( 124) = ( 0.2040715 0.2040715 0.5000000), wk = 0.0026178 k( 125) = ( 0.1965133 0.1965133 0.5000000), wk = 0.0026178 k( 126) = ( 0.1889551 0.1889551 0.5000000), wk = 0.0026178 k( 127) = ( 0.1813969 0.1813969 0.5000000), wk = 0.0026178 k( 128) = ( 0.1738387 0.1738387 0.5000000), wk = 0.0026178 k( 129) = ( 0.1662805 0.1662805 0.5000000), wk = 0.0026178 k( 130) = ( 0.1587223 0.1587223 0.5000000), wk = 0.0026178 k( 131) = ( 0.1511641 0.1511641 0.5000000), wk = 0.0026178 k( 132) = ( 0.1436059 0.1436059 0.5000000), wk = 0.0026178 k( 133) = ( 0.1360477 0.1360477 0.5000000), wk = 0.0026178 k( 134) = ( 0.1284895 0.1284895 0.5000000), wk = 0.0026178 k( 135) = ( 0.1209313 0.1209313 0.5000000), wk = 0.0026178 k( 136) = ( 0.1133731 0.1133731 0.5000000), wk = 0.0026178 k( 137) = ( 0.1058149 0.1058149 0.5000000), wk = 0.0026178 k( 138) = ( 0.0982567 0.0982567 0.5000000), wk = 0.0026178 k( 139) = ( 0.0906984 0.0906984 0.5000000), wk = 0.0026178 k( 140) = ( 0.0831402 0.0831402 0.5000000), wk = 0.0026178 k( 141) = ( 0.0755820 0.0755820 0.5000000), wk = 0.0026178 k( 142) = ( 0.0680238 0.0680238 0.5000000), wk = 0.0026178 k( 143) = ( 0.0604656 0.0604656 0.5000000), wk = 0.0026178 k( 144) = ( 0.0529074 0.0529074 0.5000000), wk = 0.0026178 k( 145) = ( 0.0453492 0.0453492 0.5000000), wk = 0.0026178 k( 146) = ( 0.0377910 0.0377910 0.5000000), wk = 0.0026178 k( 147) = ( 0.0302328 0.0302328 0.5000000), wk = 0.0026178 k( 148) = ( 0.0226746 0.0226746 0.5000000), wk = 0.0026178 k( 149) = ( 0.0151164 0.0151164 0.5000000), wk = 0.0026178 k( 150) = ( 0.0075582 0.0075582 0.5000000), wk = 0.0026178 k( 151) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 153) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0026178 k( 154) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0026178 k( 155) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0026178 k( 156) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0026178 k( 157) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0026178 k( 158) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0026178 k( 159) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0026178 k( 160) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0026178 k( 161) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0026178 k( 162) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0026178 k( 163) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0026178 k( 164) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0026178 k( 165) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0026178 k( 166) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0026178 k( 167) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0026178 k( 168) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0026178 k( 169) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0026178 k( 170) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0026178 k( 171) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026178 k( 172) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0026178 k( 173) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0026178 k( 174) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0026178 k( 175) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0026178 k( 176) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0026178 k( 177) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0026178 k( 178) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0026178 k( 179) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0026178 k( 180) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0026178 k( 181) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0026178 k( 182) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0026178 k( 183) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0026178 k( 184) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0026178 k( 185) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0026178 k( 186) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0026178 k( 187) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0026178 k( 188) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0026178 k( 189) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0026178 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026178 k( 192) = ( -0.0178571 0.0178571 -0.0000000), wk = 0.0026178 k( 193) = ( -0.0357143 0.0357143 -0.0000000), wk = 0.0026178 k( 194) = ( -0.0535714 0.0535714 -0.0000000), wk = 0.0026178 k( 195) = ( -0.0714286 0.0714286 -0.0000000), wk = 0.0026178 k( 196) = ( -0.0892857 0.0892857 -0.0000000), wk = 0.0026178 k( 197) = ( -0.1071429 0.1071429 -0.0000000), wk = 0.0026178 k( 198) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0026178 k( 199) = ( -0.1428571 0.1428571 -0.0000000), wk = 0.0026178 k( 200) = ( -0.1607143 0.1607143 -0.0000000), wk = 0.0026178 k( 201) = ( -0.1785714 0.1785714 -0.0000000), wk = 0.0026178 k( 202) = ( -0.1964286 0.1964286 -0.0000000), wk = 0.0026178 k( 203) = ( -0.2142857 0.2142857 -0.0000000), wk = 0.0026178 k( 204) = ( -0.2321429 0.2321429 -0.0000000), wk = 0.0026178 k( 205) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0026178 k( 206) = ( -0.2678571 0.2678571 -0.0000000), wk = 0.0026178 k( 207) = ( -0.2857143 0.2857143 -0.0000000), wk = 0.0026178 k( 208) = ( -0.3035714 0.3035714 -0.0000000), wk = 0.0026178 k( 209) = ( -0.3214286 0.3214286 -0.0000000), wk = 0.0026178 k( 210) = ( -0.3392857 0.3392857 -0.0000000), wk = 0.0026178 k( 211) = ( -0.3571429 0.3571429 -0.0000000), wk = 0.0026178 k( 212) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0026178 k( 213) = ( -0.3928571 0.3928571 -0.0000000), wk = 0.0026178 k( 214) = ( -0.4107143 0.4107143 -0.0000000), wk = 0.0026178 k( 215) = ( -0.4285714 0.4285714 -0.0000000), wk = 0.0026178 k( 216) = ( -0.4464286 0.4464286 -0.0000000), wk = 0.0026178 k( 217) = ( -0.4642857 0.4642857 -0.0000000), wk = 0.0026178 k( 218) = ( -0.4821429 0.4821429 -0.0000000), wk = 0.0026178 k( 219) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 220) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 221) = ( -0.4923989 0.5076011 -0.0000000), wk = 0.0026178 k( 222) = ( -0.4847978 0.5152022 -0.0000000), wk = 0.0026178 k( 223) = ( -0.4771967 0.5228033 -0.0000000), wk = 0.0026178 k( 224) = ( -0.4695955 0.5304045 -0.0000000), wk = 0.0026178 k( 225) = ( -0.4619944 0.5380056 -0.0000000), wk = 0.0026178 k( 226) = ( -0.4543933 0.5456067 -0.0000000), wk = 0.0026178 k( 227) = ( -0.4467922 0.5532078 -0.0000000), wk = 0.0026178 k( 228) = ( -0.4391911 0.5608089 -0.0000000), wk = 0.0026178 k( 229) = ( -0.4315900 0.5684100 -0.0000000), wk = 0.0026178 k( 230) = ( -0.4239889 0.5760111 -0.0000000), wk = 0.0026178 k( 231) = ( -0.4163878 0.5836122 -0.0000000), wk = 0.0026178 k( 232) = ( -0.4087866 0.5912133 -0.0000000), wk = 0.0026178 k( 233) = ( -0.4011855 0.5988145 -0.0000000), wk = 0.0026178 k( 234) = ( -0.3935844 0.6064156 -0.0000000), wk = 0.0026178 k( 235) = ( -0.3859833 0.6140167 -0.0000000), wk = 0.0026178 k( 236) = ( -0.3783822 0.6216178 -0.0000000), wk = 0.0026178 k( 237) = ( -0.3707811 0.6292189 -0.0000000), wk = 0.0026178 k( 238) = ( -0.3631800 0.6368200 -0.0000000), wk = 0.0026178 k( 239) = ( -0.3555789 0.6444211 -0.0000000), wk = 0.0026178 k( 240) = ( -0.3479777 0.6520223 -0.0000000), wk = 0.0026178 k( 241) = ( -0.3403766 0.6596234 -0.0000000), wk = 0.0026178 k( 242) = ( -0.3327755 0.6672245 -0.0000000), wk = 0.0026178 k( 243) = ( -0.3251744 0.6748256 -0.0000000), wk = 0.0026178 k( 244) = ( -0.3175733 0.6824267 -0.0000000), wk = 0.0026178 k( 245) = ( -0.3099722 0.6900278 -0.0000000), wk = 0.0026178 k( 246) = ( -0.3023711 0.6976289 -0.0000000), wk = 0.0026178 k( 247) = ( -0.2947700 0.7052300 -0.0000000), wk = 0.0026178 k( 248) = ( -0.2947700 0.7052300 -0.0000000), wk = 0.0026178 k( 249) = ( -0.2947700 0.7052300 0.0131579), wk = 0.0026178 k( 250) = ( -0.2947700 0.7052300 0.0263158), wk = 0.0026178 k( 251) = ( -0.2947700 0.7052300 0.0394737), wk = 0.0026178 k( 252) = ( -0.2947700 0.7052300 0.0526316), wk = 0.0026178 k( 253) = ( -0.2947700 0.7052300 0.0657895), wk = 0.0026178 k( 254) = ( -0.2947700 0.7052300 0.0789474), wk = 0.0026178 k( 255) = ( -0.2947700 0.7052300 0.0921053), wk = 0.0026178 k( 256) = ( -0.2947700 0.7052300 0.1052632), wk = 0.0026178 k( 257) = ( -0.2947700 0.7052300 0.1184210), wk = 0.0026178 k( 258) = ( -0.2947700 0.7052300 0.1315790), wk = 0.0026178 k( 259) = ( -0.2947700 0.7052300 0.1447368), wk = 0.0026178 k( 260) = ( -0.2947700 0.7052300 0.1578947), wk = 0.0026178 k( 261) = ( -0.2947700 0.7052300 0.1710526), wk = 0.0026178 k( 262) = ( -0.2947700 0.7052300 0.1842105), wk = 0.0026178 k( 263) = ( -0.2947700 0.7052300 0.1973684), wk = 0.0026178 k( 264) = ( -0.2947700 0.7052300 0.2105263), wk = 0.0026178 k( 265) = ( -0.2947700 0.7052300 0.2236842), wk = 0.0026178 k( 266) = ( -0.2947700 0.7052300 0.2368421), wk = 0.0026178 k( 267) = ( -0.2947700 0.7052300 0.2500000), wk = 0.0026178 k( 268) = ( -0.2947700 0.7052300 0.2631579), wk = 0.0026178 k( 269) = ( -0.2947700 0.7052300 0.2763158), wk = 0.0026178 k( 270) = ( -0.2947700 0.7052300 0.2894737), wk = 0.0026178 k( 271) = ( -0.2947700 0.7052300 0.3026316), wk = 0.0026178 k( 272) = ( -0.2947700 0.7052300 0.3157895), wk = 0.0026178 k( 273) = ( -0.2947700 0.7052300 0.3289474), wk = 0.0026178 k( 274) = ( -0.2947700 0.7052300 0.3421053), wk = 0.0026178 k( 275) = ( -0.2947700 0.7052300 0.3552632), wk = 0.0026178 k( 276) = ( -0.2947700 0.7052300 0.3684210), wk = 0.0026178 k( 277) = ( -0.2947700 0.7052300 0.3815790), wk = 0.0026178 k( 278) = ( -0.2947700 0.7052300 0.3947368), wk = 0.0026178 k( 279) = ( -0.2947700 0.7052300 0.4078947), wk = 0.0026178 k( 280) = ( -0.2947700 0.7052300 0.4210526), wk = 0.0026178 k( 281) = ( -0.2947700 0.7052300 0.4342105), wk = 0.0026178 k( 282) = ( -0.2947700 0.7052300 0.4473684), wk = 0.0026178 k( 283) = ( -0.2947700 0.7052300 0.4605263), wk = 0.0026178 k( 284) = ( -0.2947700 0.7052300 0.4736842), wk = 0.0026178 k( 285) = ( -0.2947700 0.7052300 0.4868421), wk = 0.0026178 k( 286) = ( -0.2947700 0.7052300 0.5000000), wk = 0.0026178 k( 287) = ( -0.2947700 0.7052300 0.5000000), wk = 0.0026178 k( 288) = ( -0.3023711 0.6976289 0.5000000), wk = 0.0026178 k( 289) = ( -0.3099722 0.6900278 0.5000000), wk = 0.0026178 k( 290) = ( -0.3175733 0.6824267 0.5000000), wk = 0.0026178 k( 291) = ( -0.3251744 0.6748256 0.5000000), wk = 0.0026178 k( 292) = ( -0.3327755 0.6672245 0.5000000), wk = 0.0026178 k( 293) = ( -0.3403766 0.6596234 0.5000000), wk = 0.0026178 k( 294) = ( -0.3479777 0.6520223 0.5000000), wk = 0.0026178 k( 295) = ( -0.3555789 0.6444211 0.5000000), wk = 0.0026178 k( 296) = ( -0.3631800 0.6368200 0.5000000), wk = 0.0026178 k( 297) = ( -0.3707811 0.6292189 0.5000000), wk = 0.0026178 k( 298) = ( -0.3783822 0.6216178 0.5000000), wk = 0.0026178 k( 299) = ( -0.3859833 0.6140167 0.5000000), wk = 0.0026178 k( 300) = ( -0.3935844 0.6064156 0.5000000), wk = 0.0026178 k( 301) = ( -0.4011855 0.5988145 0.5000000), wk = 0.0026178 k( 302) = ( -0.4087866 0.5912133 0.5000000), wk = 0.0026178 k( 303) = ( -0.4163878 0.5836122 0.5000000), wk = 0.0026178 k( 304) = ( -0.4239889 0.5760111 0.5000000), wk = 0.0026178 k( 305) = ( -0.4315900 0.5684100 0.5000000), wk = 0.0026178 k( 306) = ( -0.4391911 0.5608089 0.5000000), wk = 0.0026178 k( 307) = ( -0.4467922 0.5532078 0.5000000), wk = 0.0026178 k( 308) = ( -0.4543933 0.5456067 0.5000000), wk = 0.0026178 k( 309) = ( -0.4619944 0.5380056 0.5000000), wk = 0.0026178 k( 310) = ( -0.4695955 0.5304045 0.5000000), wk = 0.0026178 k( 311) = ( -0.4771967 0.5228033 0.5000000), wk = 0.0026178 k( 312) = ( -0.4847978 0.5152022 0.5000000), wk = 0.0026178 k( 313) = ( -0.4923989 0.5076011 0.5000000), wk = 0.0026178 k( 314) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 315) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026178 k( 316) = ( -0.5000000 0.5000000 0.4868421), wk = 0.0026178 k( 317) = ( -0.5000000 0.5000000 0.4736842), wk = 0.0026178 k( 318) = ( -0.5000000 0.5000000 0.4605263), wk = 0.0026178 k( 319) = ( -0.5000000 0.5000000 0.4473684), wk = 0.0026178 k( 320) = ( -0.5000000 0.5000000 0.4342105), wk = 0.0026178 k( 321) = ( -0.5000000 0.5000000 0.4210526), wk = 0.0026178 k( 322) = ( -0.5000000 0.5000000 0.4078947), wk = 0.0026178 k( 323) = ( -0.5000000 0.5000000 0.3947368), wk = 0.0026178 k( 324) = ( -0.5000000 0.5000000 0.3815789), wk = 0.0026178 k( 325) = ( -0.5000000 0.5000000 0.3684211), wk = 0.0026178 k( 326) = ( -0.5000000 0.5000000 0.3552632), wk = 0.0026178 k( 327) = ( -0.5000000 0.5000000 0.3421053), wk = 0.0026178 k( 328) = ( -0.5000000 0.5000000 0.3289474), wk = 0.0026178 k( 329) = ( -0.5000000 0.5000000 0.3157895), wk = 0.0026178 k( 330) = ( -0.5000000 0.5000000 0.3026316), wk = 0.0026178 k( 331) = ( -0.5000000 0.5000000 0.2894737), wk = 0.0026178 k( 332) = ( -0.5000000 0.5000000 0.2763158), wk = 0.0026178 k( 333) = ( -0.5000000 0.5000000 0.2631579), wk = 0.0026178 k( 334) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0026178 k( 335) = ( -0.5000000 0.5000000 0.2368421), wk = 0.0026178 k( 336) = ( -0.5000000 0.5000000 0.2236842), wk = 0.0026178 k( 337) = ( -0.5000000 0.5000000 0.2105263), wk = 0.0026178 k( 338) = ( -0.5000000 0.5000000 0.1973684), wk = 0.0026178 k( 339) = ( -0.5000000 0.5000000 0.1842105), wk = 0.0026178 k( 340) = ( -0.5000000 0.5000000 0.1710526), wk = 0.0026178 k( 341) = ( -0.5000000 0.5000000 0.1578947), wk = 0.0026178 k( 342) = ( -0.5000000 0.5000000 0.1447368), wk = 0.0026178 k( 343) = ( -0.5000000 0.5000000 0.1315790), wk = 0.0026178 k( 344) = ( -0.5000000 0.5000000 0.1184210), wk = 0.0026178 k( 345) = ( -0.5000000 0.5000000 0.1052632), wk = 0.0026178 k( 346) = ( -0.5000000 0.5000000 0.0921053), wk = 0.0026178 k( 347) = ( -0.5000000 0.5000000 0.0789474), wk = 0.0026178 k( 348) = ( -0.5000000 0.5000000 0.0657895), wk = 0.0026178 k( 349) = ( -0.5000000 0.5000000 0.0526316), wk = 0.0026178 k( 350) = ( -0.5000000 0.5000000 0.0394737), wk = 0.0026178 k( 351) = ( -0.5000000 0.5000000 0.0263158), wk = 0.0026178 k( 352) = ( -0.5000000 0.5000000 0.0131579), wk = 0.0026178 k( 353) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026178 k( 354) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026178 k( 355) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0026178 k( 356) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0026178 k( 357) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0026178 k( 358) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0026178 k( 359) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0026178 k( 360) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0026178 k( 361) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0026178 k( 362) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0026178 k( 363) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0026178 k( 364) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0026178 k( 365) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0026178 k( 366) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0026178 k( 367) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0026178 k( 368) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0026178 k( 369) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0026178 k( 370) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0026178 k( 371) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0026178 k( 372) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0026178 k( 373) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0026178 k( 374) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0026178 k( 375) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0026178 k( 376) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0026178 k( 377) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0026178 k( 378) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0026178 k( 379) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0026178 k( 380) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0026178 k( 381) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0026178 k( 382) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026178 Dense grid: 55585 G-vectors FFT dimensions: ( 64, 64, 45) Smooth grid: 26371 G-vectors FFT dimensions: ( 48, 48, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 204, 36) NL pseudopotentials 0.15 Mb ( 102, 96) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1545) G-vector shells 0.01 Mb ( 789) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.45 Mb ( 204, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.11 Mb ( 96, 2, 36) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./SrGe.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 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.3 secs Computing kpt #: 6 total cpu time spent up to now is 4.6 secs Computing kpt #: 7 total cpu time spent up to now is 5.0 secs Computing kpt #: 8 total cpu time spent up to now is 5.3 secs Computing kpt #: 9 total cpu time spent up to now is 5.6 secs Computing kpt #: 10 total cpu time spent up to now is 5.9 secs Computing kpt #: 11 total cpu time spent up to now is 6.2 secs Computing kpt #: 12 total cpu time spent up to now is 6.5 secs Computing kpt #: 13 total cpu time spent up to now is 6.8 secs Computing kpt #: 14 total cpu time spent up to now is 7.1 secs Computing kpt #: 15 total cpu time spent up to now is 7.4 secs Computing kpt #: 16 total cpu time spent up to now is 7.7 secs Computing kpt #: 17 total cpu time spent up to now is 8.0 secs Computing kpt #: 18 total cpu time spent up to now is 8.3 secs Computing kpt #: 19 total cpu time spent up to now is 8.6 secs Computing kpt #: 20 total cpu time spent up to now is 8.9 secs Computing kpt #: 21 total cpu time spent up to now is 9.2 secs Computing kpt #: 22 total cpu time spent up to now is 9.5 secs Computing kpt #: 23 total cpu time spent up to now is 9.8 secs Computing kpt #: 24 total cpu time spent up to now is 10.1 secs Computing kpt #: 25 total cpu time spent up to now is 10.4 secs Computing kpt #: 26 total cpu time spent up to now is 10.7 secs Computing kpt #: 27 total cpu time spent up to now is 11.0 secs Computing kpt #: 28 total cpu time spent up to now is 11.3 secs Computing kpt #: 29 total cpu time spent up to now is 11.5 secs Computing kpt #: 30 total cpu time spent up to now is 11.8 secs Computing kpt #: 31 total cpu time spent up to now is 12.0 secs Computing kpt #: 32 total cpu time spent up to now is 12.3 secs Computing kpt #: 33 total cpu time spent up to now is 12.5 secs Computing kpt #: 34 total cpu time spent up to now is 12.7 secs Computing kpt #: 35 total cpu time spent up to now is 13.0 secs Computing kpt #: 36 total cpu time spent up to now is 13.2 secs Computing kpt #: 37 total cpu time spent up to now is 13.4 secs Computing kpt #: 38 total cpu time spent up to now is 13.7 secs Computing kpt #: 39 total cpu time spent up to now is 13.9 secs Computing kpt #: 40 total cpu time spent up to now is 14.1 secs Computing kpt #: 41 total cpu time spent up to now is 14.3 secs Computing kpt #: 42 total cpu time spent up to now is 14.6 secs Computing kpt #: 43 total cpu time spent up to now is 14.8 secs Computing kpt #: 44 total cpu time spent up to now is 15.0 secs Computing kpt #: 45 total cpu time spent up to now is 15.3 secs Computing kpt #: 46 total cpu time spent up to now is 15.5 secs Computing kpt #: 47 total cpu time spent up to now is 15.7 secs Computing kpt #: 48 total cpu time spent up to now is 16.0 secs Computing kpt #: 49 total cpu time spent up to now is 16.3 secs Computing kpt #: 50 total cpu time spent up to now is 16.5 secs Computing kpt #: 51 total cpu time spent up to now is 16.8 secs Computing kpt #: 52 total cpu time spent up to now is 17.1 secs Computing kpt #: 53 total cpu time spent up to now is 17.5 secs Computing kpt #: 54 total cpu time spent up to now is 18.0 secs Computing kpt #: 55 total cpu time spent up to now is 18.3 secs Computing kpt #: 56 total cpu time spent up to now is 18.7 secs Computing kpt #: 57 total cpu time spent up to now is 19.0 secs Computing kpt #: 58 total cpu time spent up to now is 19.4 secs Computing kpt #: 59 total cpu time spent up to now is 19.7 secs Computing kpt #: 60 total cpu time spent up to now is 20.1 secs Computing kpt #: 61 total cpu time spent up to now is 20.4 secs Computing kpt #: 62 total cpu time spent up to now is 20.7 secs Computing kpt #: 63 total cpu time spent up to now is 20.9 secs Computing kpt #: 64 total cpu time spent up to now is 21.2 secs Computing kpt #: 65 total cpu time spent up to now is 21.5 secs Computing kpt #: 66 total cpu time spent up to now is 21.8 secs Computing kpt #: 67 total cpu time spent up to now is 22.0 secs Computing kpt #: 68 total cpu time spent up to now is 22.2 secs Computing kpt #: 69 total cpu time spent up to now is 22.5 secs Computing kpt #: 70 total cpu time spent up to now is 22.7 secs Computing kpt #: 71 total cpu time spent up to now is 23.0 secs Computing kpt #: 72 total cpu time spent up to now is 23.2 secs Computing kpt #: 73 total cpu time spent up to now is 23.4 secs Computing kpt #: 74 total cpu time spent up to now is 23.7 secs Computing kpt #: 75 total cpu time spent up to now is 23.9 secs Computing kpt #: 76 total cpu time spent up to now is 24.1 secs Computing kpt #: 77 total cpu time spent up to now is 24.4 secs Computing kpt #: 78 total cpu time spent up to now is 24.6 secs Computing kpt #: 79 total cpu time spent up to now is 24.8 secs Computing kpt #: 80 total cpu time spent up to now is 25.0 secs Computing kpt #: 81 total cpu time spent up to now is 25.3 secs Computing kpt #: 82 total cpu time spent up to now is 25.5 secs Computing kpt #: 83 total cpu time spent up to now is 25.8 secs Computing kpt #: 84 total cpu time spent up to now is 26.0 secs Computing kpt #: 85 total cpu time spent up to now is 26.2 secs Computing kpt #: 86 total cpu time spent up to now is 26.5 secs Computing kpt #: 87 total cpu time spent up to now is 26.7 secs Computing kpt #: 88 total cpu time spent up to now is 27.0 secs Computing kpt #: 89 total cpu time spent up to now is 27.2 secs Computing kpt #: 90 total cpu time spent up to now is 27.5 secs Computing kpt #: 91 total cpu time spent up to now is 27.8 secs Computing kpt #: 92 total cpu time spent up to now is 28.1 secs Computing kpt #: 93 total cpu time spent up to now is 28.4 secs Computing kpt #: 94 total cpu time spent up to now is 28.7 secs Computing kpt #: 95 total cpu time spent up to now is 29.0 secs Computing kpt #: 96 total cpu time spent up to now is 29.2 secs Computing kpt #: 97 total cpu time spent up to now is 29.5 secs Computing kpt #: 98 total cpu time spent up to now is 29.7 secs Computing kpt #: 99 total cpu time spent up to now is 30.0 secs Computing kpt #: 100 total cpu time spent up to now is 30.3 secs Computing kpt #: 101 total cpu time spent up to now is 30.6 secs Computing kpt #: 102 total cpu time spent up to now is 30.8 secs Computing kpt #: 103 total cpu time spent up to now is 31.1 secs Computing kpt #: 104 total cpu time spent up to now is 31.4 secs Computing kpt #: 105 total cpu time spent up to now is 31.6 secs Computing kpt #: 106 total cpu time spent up to now is 31.9 secs Computing kpt #: 107 total cpu time spent up to now is 32.1 secs Computing kpt #: 108 total cpu time spent up to now is 32.4 secs Computing kpt #: 109 total cpu time spent up to now is 32.7 secs Computing kpt #: 110 total cpu time spent up to now is 32.9 secs Computing kpt #: 111 total cpu time spent up to now is 33.1 secs Computing kpt #: 112 total cpu time spent up to now is 33.4 secs Computing kpt #: 113 total cpu time spent up to now is 33.6 secs Computing kpt #: 114 total cpu time spent up to now is 33.9 secs Computing kpt #: 115 total cpu time spent up to now is 34.2 secs Computing kpt #: 116 total cpu time spent up to now is 34.4 secs Computing kpt #: 117 total cpu time spent up to now is 34.7 secs Computing kpt #: 118 total cpu time spent up to now is 34.9 secs Computing kpt #: 119 total cpu time spent up to now is 35.1 secs Computing kpt #: 120 total cpu time spent up to now is 35.3 secs Computing kpt #: 121 total cpu time spent up to now is 35.5 secs Computing kpt #: 122 total cpu time spent up to now is 35.7 secs Computing kpt #: 123 total cpu time spent up to now is 35.9 secs Computing kpt #: 124 total cpu time spent up to now is 36.2 secs Computing kpt #: 125 total cpu time spent up to now is 36.3 secs Computing kpt #: 126 total cpu time spent up to now is 36.5 secs Computing kpt #: 127 total cpu time spent up to now is 36.7 secs Computing kpt #: 128 total cpu time spent up to now is 37.0 secs Computing kpt #: 129 total cpu time spent up to now is 37.2 secs Computing kpt #: 130 total cpu time spent up to now is 37.4 secs Computing kpt #: 131 total cpu time spent up to now is 37.6 secs Computing kpt #: 132 total cpu time spent up to now is 37.8 secs Computing kpt #: 133 total cpu time spent up to now is 38.0 secs Computing kpt #: 134 total cpu time spent up to now is 38.2 secs Computing kpt #: 135 total cpu time spent up to now is 38.4 secs Computing kpt #: 136 total cpu time spent up to now is 38.7 secs Computing kpt #: 137 total cpu time spent up to now is 38.9 secs Computing kpt #: 138 total cpu time spent up to now is 39.1 secs Computing kpt #: 139 total cpu time spent up to now is 39.3 secs Computing kpt #: 140 total cpu time spent up to now is 39.6 secs Computing kpt #: 141 total cpu time spent up to now is 39.8 secs Computing kpt #: 142 total cpu time spent up to now is 40.0 secs Computing kpt #: 143 total cpu time spent up to now is 40.2 secs Computing kpt #: 144 total cpu time spent up to now is 40.5 secs Computing kpt #: 145 total cpu time spent up to now is 40.7 secs Computing kpt #: 146 total cpu time spent up to now is 40.9 secs Computing kpt #: 147 total cpu time spent up to now is 41.1 secs Computing kpt #: 148 total cpu time spent up to now is 41.4 secs Computing kpt #: 149 total cpu time spent up to now is 41.6 secs Computing kpt #: 150 total cpu time spent up to now is 41.8 secs Computing kpt #: 151 total cpu time spent up to now is 42.0 secs Computing kpt #: 152 total cpu time spent up to now is 42.2 secs Computing kpt #: 153 total cpu time spent up to now is 42.4 secs Computing kpt #: 154 total cpu time spent up to now is 42.6 secs Computing kpt #: 155 total cpu time spent up to now is 42.8 secs Computing kpt #: 156 total cpu time spent up to now is 43.0 secs Computing kpt #: 157 total cpu time spent up to now is 43.2 secs Computing kpt #: 158 total cpu time spent up to now is 43.4 secs Computing kpt #: 159 total cpu time spent up to now is 43.7 secs Computing kpt #: 160 total cpu time spent up to now is 43.9 secs Computing kpt #: 161 total cpu time spent up to now is 44.1 secs Computing kpt #: 162 total cpu time spent up to now is 44.3 secs Computing kpt #: 163 total cpu time spent up to now is 44.5 secs Computing kpt #: 164 total cpu time spent up to now is 44.7 secs Computing kpt #: 165 total cpu time spent up to now is 44.9 secs Computing kpt #: 166 total cpu time spent up to now is 45.1 secs Computing kpt #: 167 total cpu time spent up to now is 45.3 secs Computing kpt #: 168 total cpu time spent up to now is 45.6 secs Computing kpt #: 169 total cpu time spent up to now is 45.8 secs Computing kpt #: 170 total cpu time spent up to now is 46.0 secs Computing kpt #: 171 total cpu time spent up to now is 46.2 secs Computing kpt #: 172 total cpu time spent up to now is 46.4 secs Computing kpt #: 173 total cpu time spent up to now is 46.6 secs Computing kpt #: 174 total cpu time spent up to now is 46.8 secs Computing kpt #: 175 total cpu time spent up to now is 47.1 secs Computing kpt #: 176 total cpu time spent up to now is 47.3 secs Computing kpt #: 177 total cpu time spent up to now is 47.6 secs Computing kpt #: 178 total cpu time spent up to now is 47.9 secs Computing kpt #: 179 total cpu time spent up to now is 48.2 secs Computing kpt #: 180 total cpu time spent up to now is 48.5 secs Computing kpt #: 181 total cpu time spent up to now is 48.7 secs Computing kpt #: 182 total cpu time spent up to now is 49.0 secs Computing kpt #: 183 total cpu time spent up to now is 49.3 secs Computing kpt #: 184 total cpu time spent up to now is 49.6 secs Computing kpt #: 185 total cpu time spent up to now is 49.9 secs Computing kpt #: 186 total cpu time spent up to now is 50.2 secs Computing kpt #: 187 total cpu time spent up to now is 50.5 secs Computing kpt #: 188 total cpu time spent up to now is 50.8 secs Computing kpt #: 189 total cpu time spent up to now is 51.1 secs Computing kpt #: 190 total cpu time spent up to now is 51.4 secs Computing kpt #: 191 total cpu time spent up to now is 51.7 secs Computing kpt #: 192 total cpu time spent up to now is 52.0 secs Computing kpt #: 193 total cpu time spent up to now is 52.2 secs Computing kpt #: 194 total cpu time spent up to now is 52.5 secs Computing kpt #: 195 total cpu time spent up to now is 52.8 secs Computing kpt #: 196 total cpu time spent up to now is 53.1 secs Computing kpt #: 197 total cpu time spent up to now is 53.4 secs Computing kpt #: 198 total cpu time spent up to now is 53.7 secs Computing kpt #: 199 total cpu time spent up to now is 53.9 secs Computing kpt #: 200 total cpu time spent up to now is 54.2 secs Computing kpt #: 201 total cpu time spent up to now is 54.4 secs Computing kpt #: 202 total cpu time spent up to now is 54.7 secs Computing kpt #: 203 total cpu time spent up to now is 54.9 secs Computing kpt #: 204 total cpu time spent up to now is 55.2 secs Computing kpt #: 205 total cpu time spent up to now is 55.4 secs Computing kpt #: 206 total cpu time spent up to now is 55.7 secs Computing kpt #: 207 total cpu time spent up to now is 56.0 secs Computing kpt #: 208 total cpu time spent up to now is 56.2 secs Computing kpt #: 209 total cpu time spent up to now is 56.5 secs Computing kpt #: 210 total cpu time spent up to now is 56.8 secs Computing kpt #: 211 total cpu time spent up to now is 57.1 secs Computing kpt #: 212 total cpu time spent up to now is 57.3 secs Computing kpt #: 213 total cpu time spent up to now is 57.6 secs Computing kpt #: 214 total cpu time spent up to now is 57.9 secs Computing kpt #: 215 total cpu time spent up to now is 58.1 secs Computing kpt #: 216 total cpu time spent up to now is 58.4 secs Computing kpt #: 217 total cpu time spent up to now is 58.6 secs Computing kpt #: 218 total cpu time spent up to now is 58.9 secs Computing kpt #: 219 total cpu time spent up to now is 59.1 secs Computing kpt #: 220 total cpu time spent up to now is 59.3 secs Computing kpt #: 221 total cpu time spent up to now is 59.6 secs Computing kpt #: 222 total cpu time spent up to now is 59.8 secs Computing kpt #: 223 total cpu time spent up to now is 60.1 secs Computing kpt #: 224 total cpu time spent up to now is 60.3 secs Computing kpt #: 225 total cpu time spent up to now is 60.5 secs Computing kpt #: 226 total cpu time spent up to now is 60.8 secs Computing kpt #: 227 total cpu time spent up to now is 61.1 secs Computing kpt #: 228 total cpu time spent up to now is 61.4 secs Computing kpt #: 229 total cpu time spent up to now is 61.7 secs Computing kpt #: 230 total cpu time spent up to now is 61.9 secs Computing kpt #: 231 total cpu time spent up to now is 62.1 secs Computing kpt #: 232 total cpu time spent up to now is 62.4 secs Computing kpt #: 233 total cpu time spent up to now is 62.6 secs Computing kpt #: 234 total cpu time spent up to now is 62.9 secs Computing kpt #: 235 total cpu time spent up to now is 63.1 secs Computing kpt #: 236 total cpu time spent up to now is 63.4 secs Computing kpt #: 237 total cpu time spent up to now is 63.7 secs Computing kpt #: 238 total cpu time spent up to now is 64.0 secs Computing kpt #: 239 total cpu time spent up to now is 64.3 secs Computing kpt #: 240 total cpu time spent up to now is 64.6 secs Computing kpt #: 241 total cpu time spent up to now is 64.9 secs Computing kpt #: 242 total cpu time spent up to now is 65.1 secs Computing kpt #: 243 total cpu time spent up to now is 65.4 secs Computing kpt #: 244 total cpu time spent up to now is 65.6 secs Computing kpt #: 245 total cpu time spent up to now is 65.8 secs Computing kpt #: 246 total cpu time spent up to now is 66.1 secs Computing kpt #: 247 total cpu time spent up to now is 66.3 secs Computing kpt #: 248 total cpu time spent up to now is 66.5 secs Computing kpt #: 249 total cpu time spent up to now is 66.7 secs Computing kpt #: 250 total cpu time spent up to now is 67.0 secs Computing kpt #: 251 total cpu time spent up to now is 67.2 secs Computing kpt #: 252 total cpu time spent up to now is 67.4 secs Computing kpt #: 253 total cpu time spent up to now is 67.6 secs Computing kpt #: 254 total cpu time spent up to now is 67.9 secs Computing kpt #: 255 total cpu time spent up to now is 68.1 secs Computing kpt #: 256 total cpu time spent up to now is 68.3 secs Computing kpt #: 257 total cpu time spent up to now is 68.6 secs Computing kpt #: 258 total cpu time spent up to now is 68.9 secs Computing kpt #: 259 total cpu time spent up to now is 69.2 secs Computing kpt #: 260 total cpu time spent up to now is 69.4 secs Computing kpt #: 261 total cpu time spent up to now is 69.7 secs Computing kpt #: 262 total cpu time spent up to now is 69.9 secs Computing kpt #: 263 total cpu time spent up to now is 70.2 secs Computing kpt #: 264 total cpu time spent up to now is 70.5 secs Computing kpt #: 265 total cpu time spent up to now is 70.7 secs Computing kpt #: 266 total cpu time spent up to now is 71.0 secs Computing kpt #: 267 total cpu time spent up to now is 71.3 secs Computing kpt #: 268 total cpu time spent up to now is 71.6 secs Computing kpt #: 269 total cpu time spent up to now is 71.9 secs Computing kpt #: 270 total cpu time spent up to now is 72.1 secs Computing kpt #: 271 total cpu time spent up to now is 72.3 secs Computing kpt #: 272 total cpu time spent up to now is 72.6 secs Computing kpt #: 273 total cpu time spent up to now is 72.8 secs Computing kpt #: 274 total cpu time spent up to now is 73.0 secs Computing kpt #: 275 total cpu time spent up to now is 73.2 secs Computing kpt #: 276 total cpu time spent up to now is 73.4 secs Computing kpt #: 277 total cpu time spent up to now is 73.7 secs Computing kpt #: 278 total cpu time spent up to now is 73.9 secs Computing kpt #: 279 total cpu time spent up to now is 74.2 secs Computing kpt #: 280 total cpu time spent up to now is 74.4 secs Computing kpt #: 281 total cpu time spent up to now is 74.6 secs Computing kpt #: 282 total cpu time spent up to now is 74.9 secs Computing kpt #: 283 total cpu time spent up to now is 75.1 secs Computing kpt #: 284 total cpu time spent up to now is 75.4 secs Computing kpt #: 285 total cpu time spent up to now is 76.7 secs Computing kpt #: 286 total cpu time spent up to now is 76.9 secs Computing kpt #: 287 total cpu time spent up to now is 77.2 secs Computing kpt #: 288 total cpu time spent up to now is 77.4 secs Computing kpt #: 289 total cpu time spent up to now is 77.6 secs Computing kpt #: 290 total cpu time spent up to now is 77.9 secs Computing kpt #: 291 total cpu time spent up to now is 78.1 secs Computing kpt #: 292 total cpu time spent up to now is 78.3 secs Computing kpt #: 293 total cpu time spent up to now is 78.5 secs Computing kpt #: 294 total cpu time spent up to now is 78.7 secs Computing kpt #: 295 total cpu time spent up to now is 78.9 secs Computing kpt #: 296 total cpu time spent up to now is 79.2 secs Computing kpt #: 297 total cpu time spent up to now is 79.4 secs Computing kpt #: 298 total cpu time spent up to now is 79.6 secs Computing kpt #: 299 total cpu time spent up to now is 79.8 secs Computing kpt #: 300 total cpu time spent up to now is 80.0 secs Computing kpt #: 301 total cpu time spent up to now is 80.2 secs Computing kpt #: 302 total cpu time spent up to now is 80.4 secs Computing kpt #: 303 total cpu time spent up to now is 80.6 secs Computing kpt #: 304 total cpu time spent up to now is 80.8 secs Computing kpt #: 305 total cpu time spent up to now is 81.1 secs Computing kpt #: 306 total cpu time spent up to now is 81.3 secs Computing kpt #: 307 total cpu time spent up to now is 81.5 secs Computing kpt #: 308 total cpu time spent up to now is 81.7 secs Computing kpt #: 309 total cpu time spent up to now is 82.0 secs Computing kpt #: 310 total cpu time spent up to now is 82.2 secs Computing kpt #: 311 total cpu time spent up to now is 82.5 secs Computing kpt #: 312 total cpu time spent up to now is 82.7 secs Computing kpt #: 313 total cpu time spent up to now is 83.0 secs Computing kpt #: 314 total cpu time spent up to now is 83.3 secs Computing kpt #: 315 total cpu time spent up to now is 83.6 secs Computing kpt #: 316 total cpu time spent up to now is 83.8 secs Computing kpt #: 317 total cpu time spent up to now is 84.2 secs Computing kpt #: 318 total cpu time spent up to now is 84.5 secs Computing kpt #: 319 total cpu time spent up to now is 84.8 secs Computing kpt #: 320 total cpu time spent up to now is 85.1 secs Computing kpt #: 321 total cpu time spent up to now is 85.3 secs Computing kpt #: 322 total cpu time spent up to now is 85.6 secs Computing kpt #: 323 total cpu time spent up to now is 85.9 secs Computing kpt #: 324 total cpu time spent up to now is 86.2 secs Computing kpt #: 325 total cpu time spent up to now is 86.5 secs Computing kpt #: 326 total cpu time spent up to now is 86.8 secs Computing kpt #: 327 total cpu time spent up to now is 87.1 secs Computing kpt #: 328 total cpu time spent up to now is 87.4 secs Computing kpt #: 329 total cpu time spent up to now is 87.7 secs Computing kpt #: 330 total cpu time spent up to now is 88.0 secs Computing kpt #: 331 total cpu time spent up to now is 88.3 secs Computing kpt #: 332 total cpu time spent up to now is 88.5 secs Computing kpt #: 333 total cpu time spent up to now is 88.8 secs Computing kpt #: 334 total cpu time spent up to now is 89.1 secs Computing kpt #: 335 total cpu time spent up to now is 89.4 secs Computing kpt #: 336 total cpu time spent up to now is 89.7 secs Computing kpt #: 337 total cpu time spent up to now is 90.0 secs Computing kpt #: 338 total cpu time spent up to now is 90.3 secs Computing kpt #: 339 total cpu time spent up to now is 90.6 secs Computing kpt #: 340 total cpu time spent up to now is 90.9 secs Computing kpt #: 341 total cpu time spent up to now is 91.2 secs Computing kpt #: 342 total cpu time spent up to now is 91.5 secs Computing kpt #: 343 total cpu time spent up to now is 91.8 secs Computing kpt #: 344 total cpu time spent up to now is 92.1 secs Computing kpt #: 345 total cpu time spent up to now is 92.4 secs Computing kpt #: 346 total cpu time spent up to now is 92.7 secs Computing kpt #: 347 total cpu time spent up to now is 93.0 secs Computing kpt #: 348 total cpu time spent up to now is 93.3 secs Computing kpt #: 349 total cpu time spent up to now is 93.5 secs Computing kpt #: 350 total cpu time spent up to now is 93.8 secs Computing kpt #: 351 total cpu time spent up to now is 94.0 secs Computing kpt #: 352 total cpu time spent up to now is 94.3 secs Computing kpt #: 353 total cpu time spent up to now is 94.5 secs Computing kpt #: 354 total cpu time spent up to now is 94.7 secs Computing kpt #: 355 total cpu time spent up to now is 94.9 secs Computing kpt #: 356 total cpu time spent up to now is 95.2 secs Computing kpt #: 357 total cpu time spent up to now is 95.4 secs Computing kpt #: 358 total cpu time spent up to now is 95.6 secs Computing kpt #: 359 total cpu time spent up to now is 95.8 secs Computing kpt #: 360 total cpu time spent up to now is 96.0 secs Computing kpt #: 361 total cpu time spent up to now is 96.2 secs Computing kpt #: 362 total cpu time spent up to now is 96.5 secs Computing kpt #: 363 total cpu time spent up to now is 96.7 secs Computing kpt #: 364 total cpu time spent up to now is 96.9 secs Computing kpt #: 365 total cpu time spent up to now is 97.2 secs Computing kpt #: 366 total cpu time spent up to now is 97.4 secs Computing kpt #: 367 total cpu time spent up to now is 97.6 secs Computing kpt #: 368 total cpu time spent up to now is 97.8 secs Computing kpt #: 369 total cpu time spent up to now is 98.1 secs Computing kpt #: 370 total cpu time spent up to now is 98.3 secs Computing kpt #: 371 total cpu time spent up to now is 98.5 secs Computing kpt #: 372 total cpu time spent up to now is 98.8 secs Computing kpt #: 373 total cpu time spent up to now is 99.0 secs Computing kpt #: 374 total cpu time spent up to now is 99.3 secs Computing kpt #: 375 total cpu time spent up to now is 99.5 secs Computing kpt #: 376 total cpu time spent up to now is 99.8 secs Computing kpt #: 377 total cpu time spent up to now is 100.1 secs Computing kpt #: 378 total cpu time spent up to now is 100.4 secs Computing kpt #: 379 total cpu time spent up to now is 100.6 secs Computing kpt #: 380 total cpu time spent up to now is 100.9 secs Computing kpt #: 381 total cpu time spent up to now is 101.2 secs Computing kpt #: 382 total cpu time spent up to now is 101.5 secs ethr = 3.57E-08, avg # of iterations = 20.0 total cpu time spent up to now is 101.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3299 PWs) bands (ev): -27.9652 -27.9652 -27.9188 -27.9188 -10.8663 -10.8663 -10.6916 -10.6916 -9.8078 -9.8078 -9.6468 -9.6468 -9.5828 -9.5828 -9.4841 -9.4841 -2.5770 -2.5770 1.5154 1.5154 5.4562 5.4562 5.7462 5.7462 6.1778 6.1778 7.3925 7.3925 8.5630 8.5630 8.7699 8.7699 9.8412 9.8412 10.3824 10.3824 k = 0.0076 0.0179-0.0000 ( 3301 PWs) bands (ev): -27.9652 -27.9652 -27.9188 -27.9188 -10.8663 -10.8663 -10.6917 -10.6917 -9.8077 -9.8077 -9.6469 -9.6469 -9.5830 -9.5830 -9.4841 -9.4841 -2.5761 -2.5761 1.5163 1.5163 5.4351 5.4351 5.7654 5.7654 6.1770 6.1770 7.3926 7.3926 8.5520 8.5520 8.7733 8.7733 9.8536 9.8536 10.3789 10.3789 k = 0.0151 0.0357-0.0000 ( 3301 PWs) bands (ev): -27.9651 -27.9651 -27.9188 -27.9188 -10.8662 -10.8662 -10.6920 -10.6920 -9.8076 -9.8076 -9.6470 -9.6470 -9.5834 -9.5834 -9.4842 -9.4842 -2.5734 -2.5734 1.5189 1.5189 5.3834 5.3834 5.8116 5.8116 6.1746 6.1746 7.3929 7.3929 8.5205 8.5205 8.7837 8.7837 9.8892 9.8892 10.3687 10.3687 k = 0.0227 0.0536-0.0000 ( 3305 PWs) bands (ev): -27.9651 -27.9651 -27.9189 -27.9189 -10.8661 -10.8661 -10.6926 -10.6926 -9.8074 -9.8074 -9.6472 -9.6472 -9.5842 -9.5842 -9.4842 -9.4842 -2.5689 -2.5689 1.5232 1.5232 5.3167 5.3167 5.8691 5.8691 6.1707 6.1707 7.3930 7.3930 8.4726 8.4726 8.8010 8.8010 9.9441 9.9441 10.3530 10.3530 k = 0.0302 0.0714-0.0000 ( 3305 PWs) bands (ev): -27.9650 -27.9650 -27.9189 -27.9189 -10.8659 -10.8659 -10.6933 -10.6933 -9.8071 -9.8071 -9.6476 -9.6476 -9.5853 -9.5853 -9.4844 -9.4844 -2.5626 -2.5626 1.5292 1.5292 5.2431 5.2431 5.9298 5.9298 6.1654 6.1654 7.3921 7.3921 8.4134 8.4134 8.8254 8.8254 10.0136 10.0136 10.3331 10.3331 k = 0.0378 0.0893-0.0000 ( 3309 PWs) bands (ev): -27.9649 -27.9649 -27.9190 -27.9190 -10.8657 -10.8657 -10.6943 -10.6943 -9.8067 -9.8067 -9.6480 -9.6480 -9.5866 -9.5866 -9.4845 -9.4845 -2.5547 -2.5547 1.5368 1.5368 5.1661 5.1661 5.9898 5.9898 6.1591 6.1591 7.3892 7.3892 8.3481 8.3481 8.8567 8.8567 10.0929 10.0929 10.3106 10.3106 k = 0.0453 0.1072-0.0000 ( 3303 PWs) bands (ev): -27.9647 -27.9647 -27.9190 -27.9190 -10.8654 -10.8654 -10.6954 -10.6954 -9.8063 -9.8063 -9.6485 -9.6485 -9.5882 -9.5882 -9.4847 -9.4847 -2.5451 -2.5451 1.5459 1.5459 5.0875 5.0875 6.0464 6.0464 6.1527 6.1527 7.3828 7.3828 8.2817 8.2817 8.8949 8.8949 10.1776 10.1776 10.2870 10.2870 k = 0.0529 0.1250-0.0000 ( 3287 PWs) bands (ev): -27.9646 -27.9646 -27.9191 -27.9191 -10.8651 -10.8651 -10.6968 -10.6968 -9.8058 -9.8058 -9.6491 -9.6491 -9.5900 -9.5900 -9.4849 -9.4849 -2.5340 -2.5340 1.5566 1.5566 5.0086 5.0086 6.0937 6.0937 6.1511 6.1511 7.3710 7.3710 8.2186 8.2186 8.9399 8.9399 10.2545 10.2545 10.2730 10.2730 k = 0.0605 0.1429-0.0000 ( 3283 PWs) bands (ev): -27.9644 -27.9644 -27.9192 -27.9192 -10.8647 -10.8647 -10.6983 -10.6983 -9.8052 -9.8052 -9.6498 -9.6498 -9.5920 -9.5920 -9.4852 -9.4852 -2.5213 -2.5213 1.5688 1.5688 4.9299 4.9299 6.1112 6.1112 6.1745 6.1745 7.3517 7.3517 8.1629 8.1629 8.9916 8.9916 10.2381 10.2381 10.3516 10.3516 k = 0.0680 0.1607-0.0000 ( 3285 PWs) bands (ev): -27.9642 -27.9642 -27.9194 -27.9194 -10.8643 -10.8643 -10.7000 -10.7000 -9.8045 -9.8045 -9.6506 -9.6506 -9.5942 -9.5942 -9.4855 -9.4855 -2.5073 -2.5073 1.5823 1.5823 4.8521 4.8521 6.1049 6.1049 6.2164 6.2164 7.3228 7.3228 8.1181 8.1181 9.0498 9.0498 10.2167 10.2167 10.4034 10.4034 k = 0.0756 0.1786-0.0000 ( 3289 PWs) bands (ev): -27.9640 -27.9640 -27.9195 -27.9195 -10.8638 -10.8638 -10.7019 -10.7019 -9.8037 -9.8037 -9.6515 -9.6515 -9.5965 -9.5965 -9.4859 -9.4859 -2.4919 -2.4919 1.5970 1.5970 4.7756 4.7756 6.0929 6.0929 6.2586 6.2586 7.2831 7.2831 8.0864 8.0864 9.1141 9.1141 10.1972 10.1972 10.3266 10.3266 k = 0.0831 0.1965-0.0000 ( 3287 PWs) bands (ev): -27.9637 -27.9637 -27.9196 -27.9196 -10.8633 -10.8633 -10.7039 -10.7039 -9.8029 -9.8029 -9.6526 -9.6526 -9.5989 -9.5989 -9.4863 -9.4863 -2.4754 -2.4754 1.6128 1.6128 4.7008 4.7008 6.0788 6.0788 6.2977 6.2977 7.2326 7.2326 8.0688 8.0688 9.1844 9.1844 10.1800 10.1800 10.2478 10.2478 k = 0.0907 0.2143-0.0000 ( 3287 PWs) bands (ev): -27.9635 -27.9635 -27.9198 -27.9198 -10.8627 -10.8627 -10.7060 -10.7060 -9.8021 -9.8021 -9.6537 -9.6537 -9.6014 -9.6014 -9.4867 -9.4867 -2.4579 -2.4579 1.6297 1.6297 4.6280 4.6280 6.0634 6.0634 6.3328 6.3328 7.1725 7.1725 8.0644 8.0644 9.2601 9.2601 10.1627 10.1627 10.1749 10.1749 k = 0.0983 0.2322-0.0000 ( 3277 PWs) bands (ev): -27.9632 -27.9632 -27.9200 -27.9200 -10.8621 -10.8621 -10.7084 -10.7084 -9.8011 -9.8011 -9.6550 -9.6550 -9.6039 -9.6039 -9.4872 -9.4872 -2.4394 -2.4394 1.6474 1.6474 4.5575 4.5575 6.0471 6.0471 6.3640 6.3640 7.1050 7.1050 8.0716 8.0716 9.3409 9.3409 10.0975 10.0975 10.1561 10.1561 k = 0.1058 0.2500-0.0000 ( 3277 PWs) bands (ev): -27.9629 -27.9629 -27.9201 -27.9201 -10.8614 -10.8614 -10.7108 -10.7108 -9.8001 -9.8001 -9.6564 -9.6564 -9.6064 -9.6064 -9.4878 -9.4878 -2.4202 -2.4202 1.6657 1.6657 4.4897 4.4897 6.0301 6.0301 6.3911 6.3911 7.0322 7.0322 8.0884 8.0884 9.4261 9.4261 10.0280 10.0280 10.1482 10.1482 k = 0.1134 0.2679-0.0000 ( 3277 PWs) bands (ev): -27.9626 -27.9626 -27.9203 -27.9203 -10.8607 -10.8607 -10.7133 -10.7133 -9.7991 -9.7991 -9.6579 -9.6579 -9.6087 -9.6087 -9.4884 -9.4884 -2.4003 -2.4003 1.6846 1.6846 4.4247 4.4247 6.0126 6.0126 6.4144 6.4144 6.9563 6.9563 8.1129 8.1129 9.5152 9.5152 9.9619 9.9619 10.1437 10.1437 k = 0.1209 0.2858-0.0000 ( 3273 PWs) bands (ev): -27.9623 -27.9623 -27.9205 -27.9205 -10.8599 -10.8599 -10.7159 -10.7159 -9.7980 -9.7980 -9.6596 -9.6596 -9.6109 -9.6109 -9.4891 -9.4891 -2.3800 -2.3800 1.7038 1.7038 4.3629 4.3629 5.9947 5.9947 6.4340 6.4340 6.8792 6.8792 8.1434 8.1434 9.6073 9.6073 9.8995 9.8995 10.1427 10.1427 k = 0.1285 0.3036-0.0000 ( 3273 PWs) bands (ev): -27.9619 -27.9619 -27.9208 -27.9208 -10.8591 -10.8591 -10.7186 -10.7186 -9.7968 -9.7968 -9.6615 -9.6615 -9.6130 -9.6130 -9.4899 -9.4899 -2.3594 -2.3594 1.7232 1.7232 4.3045 4.3045 5.9767 5.9767 6.4503 6.4503 6.8022 6.8022 8.1785 8.1785 9.7004 9.7004 9.8423 9.8423 10.1451 10.1451 k = 0.1360 0.3215-0.0000 ( 3285 PWs) bands (ev): -27.9616 -27.9616 -27.9210 -27.9210 -10.8582 -10.8582 -10.7213 -10.7213 -9.7956 -9.7956 -9.6635 -9.6635 -9.6149 -9.6149 -9.4907 -9.4907 -2.3387 -2.3387 1.7424 1.7424 4.2496 4.2496 5.9586 5.9586 6.4634 6.4634 6.7266 6.7266 8.2169 8.2169 9.7639 9.7639 9.8203 9.8203 10.1508 10.1508 k = 0.1436 0.3394-0.0000 ( 3293 PWs) bands (ev): -27.9612 -27.9612 -27.9213 -27.9213 -10.8573 -10.8573 -10.7241 -10.7241 -9.7944 -9.7944 -9.6657 -9.6657 -9.6165 -9.6165 -9.4915 -9.4915 -2.3180 -2.3180 1.7614 1.7614 4.1986 4.1986 5.9407 5.9407 6.4735 6.4735 6.6534 6.6534 8.2575 8.2575 9.7244 9.7244 9.9060 9.9060 10.1597 10.1597 k = 0.1512 0.3572-0.0000 ( 3287 PWs) bands (ev): -27.9609 -27.9609 -27.9215 -27.9215 -10.8563 -10.8563 -10.7269 -10.7269 -9.7931 -9.7931 -9.6680 -9.6680 -9.6178 -9.6178 -9.4925 -9.4925 -2.2976 -2.2976 1.7798 1.7798 4.1515 4.1515 5.9230 5.9230 6.4806 6.4806 6.5838 6.5838 8.2993 8.2993 9.6769 9.6769 10.0037 10.0037 10.1719 10.1719 k = 0.1587 0.3751-0.0000 ( 3283 PWs) bands (ev): -27.9605 -27.9605 -27.9218 -27.9218 -10.8553 -10.8553 -10.7297 -10.7297 -9.7918 -9.7918 -9.6704 -9.6704 -9.6190 -9.6190 -9.4935 -9.4935 -2.2775 -2.2775 1.7974 1.7974 4.1086 4.1086 5.9058 5.9058 6.4822 6.4822 6.5211 6.5211 8.3412 8.3412 9.6318 9.6318 10.1019 10.1019 10.1871 10.1871 k = 0.1663 0.3929-0.0000 ( 3285 PWs) bands (ev): -27.9601 -27.9601 -27.9221 -27.9221 -10.8543 -10.8543 -10.7325 -10.7325 -9.7904 -9.7904 -9.6729 -9.6729 -9.6198 -9.6198 -9.4945 -9.4945 -2.2579 -2.2579 1.8139 1.8139 4.0700 4.0700 5.8891 5.8891 6.4478 6.4478 6.4966 6.4966 8.3823 8.3823 9.5899 9.5899 10.1974 10.1974 10.2061 10.2061 k = 0.1738 0.4108-0.0000 ( 3279 PWs) bands (ev): -27.9597 -27.9597 -27.9224 -27.9224 -10.8532 -10.8532 -10.7353 -10.7353 -9.7890 -9.7890 -9.6755 -9.6755 -9.6205 -9.6205 -9.4957 -9.4957 -2.2391 -2.2391 1.8292 1.8292 4.0359 4.0359 5.8731 5.8731 6.3926 6.3926 6.4962 6.4962 8.4213 8.4213 9.5515 9.5515 10.2256 10.2256 10.2901 10.2901 k = 0.1814 0.4287-0.0000 ( 3279 PWs) bands (ev): -27.9593 -27.9593 -27.9227 -27.9227 -10.8520 -10.8520 -10.7381 -10.7381 -9.7876 -9.7876 -9.6780 -9.6780 -9.6209 -9.6209 -9.4969 -9.4969 -2.2211 -2.2211 1.8429 1.8429 4.0065 4.0065 5.8578 5.8578 6.3407 6.3407 6.4963 6.4963 8.4572 8.4572 9.5167 9.5167 10.2430 10.2430 10.2589 10.2589 k = 0.1890 0.4465-0.0000 ( 3285 PWs) bands (ev): -27.9589 -27.9589 -27.9230 -27.9230 -10.8508 -10.8508 -10.7408 -10.7408 -9.7862 -9.7862 -9.6805 -9.6805 -9.6211 -9.6211 -9.4981 -9.4981 -2.2042 -2.2042 1.8549 1.8549 3.9818 3.9818 5.8435 5.8435 6.2940 6.2940 6.4955 6.4955 8.4889 8.4889 9.4854 9.4854 10.2064 10.2064 10.2762 10.2762 k = 0.1965 0.4644-0.0000 ( 3287 PWs) bands (ev): -27.9585 -27.9585 -27.9233 -27.9233 -10.8496 -10.8496 -10.7434 -10.7434 -9.7847 -9.7847 -9.6830 -9.6830 -9.6211 -9.6211 -9.4995 -9.4995 -2.1884 -2.1884 1.8648 1.8648 3.9620 3.9620 5.8302 5.8302 6.2532 6.2532 6.4940 6.4940 8.5150 8.5150 9.4576 9.4576 10.1669 10.1669 10.2973 10.2973 k = 0.2041 0.4822-0.0000 ( 3291 PWs) bands (ev): -27.9581 -27.9581 -27.9237 -27.9237 -10.8483 -10.8483 -10.7459 -10.7459 -9.7832 -9.7832 -9.6853 -9.6853 -9.6209 -9.6209 -9.5009 -9.5009 -2.1738 -2.1738 1.8726 1.8726 3.9472 3.9472 5.8180 5.8180 6.2186 6.2186 6.4918 6.4918 8.5345 8.5345 9.4334 9.4334 10.1326 10.1326 10.2602 10.2602 k = 0.2116 0.5001-0.0000 ( 3291 PWs) bands (ev): -27.9577 -27.9577 -27.9240 -27.9240 -10.8470 -10.8470 -10.7484 -10.7484 -9.7818 -9.7818 -9.6875 -9.6875 -9.6206 -9.6206 -9.5023 -9.5023 -2.1606 -2.1606 1.8779 1.8779 3.9374 3.9374 5.8071 5.8071 6.1906 6.1906 6.4892 6.4892 8.5464 8.5464 9.4128 9.4128 10.1045 10.1045 10.1875 10.1875 k = 0.2192 0.5180-0.0000 ( 3291 PWs) bands (ev): -27.9573 -27.9573 -27.9244 -27.9244 -10.8456 -10.8456 -10.7507 -10.7507 -9.7803 -9.7803 -9.6895 -9.6895 -9.6202 -9.6202 -9.5038 -9.5038 -2.1490 -2.1490 1.8806 1.8806 3.9328 3.9328 5.7974 5.7974 6.1693 6.1693 6.4862 6.4862 8.5499 8.5499 9.3957 9.3957 10.0815 10.0815 10.1124 10.1124 k = 0.2267 0.5358-0.0000 ( 3283 PWs) bands (ev): -27.9569 -27.9569 -27.9248 -27.9248 -10.8443 -10.8443 -10.7529 -10.7529 -9.7788 -9.7788 -9.6913 -9.6913 -9.6196 -9.6196 -9.5054 -9.5054 -2.1388 -2.1388 1.8806 1.8806 3.9333 3.9333 5.7891 5.7891 6.1550 6.1550 6.4832 6.4832 8.5446 8.5446 9.3821 9.3821 10.0283 10.0283 10.0734 10.0734 k = 0.2343 0.5537-0.0000 ( 3287 PWs) bands (ev): -27.9565 -27.9565 -27.9251 -27.9251 -10.8428 -10.8428 -10.7550 -10.7550 -9.7773 -9.7773 -9.6929 -9.6929 -9.6188 -9.6188 -9.5070 -9.5070 -2.1303 -2.1303 1.8779 1.8779 3.9389 3.9389 5.7822 5.7822 6.1477 6.1477 6.4803 6.4803 8.5303 8.5303 9.3721 9.3721 9.9501 9.9501 10.0658 10.0658 k = 0.2419 0.5715-0.0000 ( 3289 PWs) bands (ev): -27.9561 -27.9561 -27.9255 -27.9255 -10.8414 -10.8414 -10.7569 -10.7569 -9.7759 -9.7759 -9.6943 -9.6943 -9.6180 -9.6180 -9.5086 -9.5086 -2.1234 -2.1234 1.8723 1.8723 3.9497 3.9497 5.7767 5.7767 6.1477 6.1477 6.4775 6.4775 8.5075 8.5075 9.3656 9.3656 9.8706 9.8706 10.0659 10.0659 k = 0.2494 0.5894-0.0000 ( 3299 PWs) bands (ev): -27.9557 -27.9557 -27.9259 -27.9259 -10.8399 -10.8399 -10.7587 -10.7587 -9.7744 -9.7744 -9.6955 -9.6955 -9.6171 -9.6171 -9.5103 -9.5103 -2.1183 -2.1183 1.8639 1.8639 3.9656 3.9656 5.7728 5.7728 6.1549 6.1549 6.4751 6.4751 8.4766 8.4766 9.3626 9.3626 9.7908 9.7908 10.0722 10.0722 k = 0.2570 0.6073-0.0000 ( 3299 PWs) bands (ev): -27.9553 -27.9553 -27.9263 -27.9263 -10.8384 -10.8384 -10.7604 -10.7604 -9.7730 -9.7730 -9.6964 -9.6964 -9.6162 -9.6162 -9.5121 -9.5121 -2.1148 -2.1148 1.8527 1.8527 3.9866 3.9866 5.7703 5.7703 6.1694 6.1694 6.4732 6.4732 8.4388 8.4388 9.3631 9.3631 9.7109 9.7109 10.0838 10.0838 k = 0.2645 0.6251-0.0000 ( 3305 PWs) bands (ev): -27.9549 -27.9549 -27.9267 -27.9267 -10.8368 -10.8368 -10.7619 -10.7619 -9.7715 -9.7715 -9.6970 -9.6970 -9.6151 -9.6151 -9.5138 -9.5138 -2.1129 -2.1129 1.8388 1.8388 4.0126 4.0126 5.7694 5.7694 6.1910 6.1910 6.4719 6.4719 8.3948 8.3948 9.3670 9.3670 9.6312 9.6312 10.0997 10.0997 k = 0.2721 0.6430-0.0000 ( 3313 PWs) bands (ev): -27.9545 -27.9545 -27.9271 -27.9271 -10.8352 -10.8352 -10.7633 -10.7633 -9.7701 -9.7701 -9.6974 -9.6974 -9.6140 -9.6140 -9.5157 -9.5157 -2.1128 -2.1128 1.8223 1.8223 4.0435 4.0435 5.7699 5.7699 6.2197 6.2197 6.4713 6.4713 8.3459 8.3459 9.3742 9.3742 9.5518 9.5518 10.1189 10.1189 k = 0.2797 0.6608-0.0000 ( 3305 PWs) bands (ev): -27.9542 -27.9542 -27.9275 -27.9275 -10.8336 -10.8336 -10.7645 -10.7645 -9.7687 -9.7687 -9.6975 -9.6975 -9.6128 -9.6128 -9.5175 -9.5175 -2.1142 -2.1142 1.8033 1.8033 4.0792 4.0792 5.7719 5.7719 6.2552 6.2552 6.4716 6.4716 8.2929 8.2929 9.3840 9.3840 9.4736 9.4736 10.1406 10.1406 k = 0.2872 0.6787-0.0000 ( 3305 PWs) bands (ev): -27.9538 -27.9538 -27.9279 -27.9279 -10.8320 -10.8320 -10.7656 -10.7656 -9.7672 -9.7672 -9.6975 -9.6975 -9.6116 -9.6116 -9.5194 -9.5194 -2.1171 -2.1171 1.7822 1.7822 4.1196 4.1196 5.7753 5.7753 6.2973 6.2973 6.4731 6.4731 8.2370 8.2370 9.3809 9.3809 9.4120 9.4120 10.1640 10.1640 k = 0.2948 0.6966-0.0000 ( 3301 PWs) bands (ev): -27.9535 -27.9535 -27.9283 -27.9283 -10.8304 -10.8304 -10.7665 -10.7665 -9.7658 -9.7658 -9.6972 -9.6972 -9.6104 -9.6104 -9.5212 -9.5212 -2.1215 -2.1215 1.7589 1.7589 4.1645 4.1645 5.7801 5.7801 6.3452 6.3452 6.4762 6.4762 8.1789 8.1789 9.3112 9.3112 9.4208 9.4208 10.1886 10.1886 k = 0.2948 0.6966-0.0000 ( 3301 PWs) bands (ev): -27.9535 -27.9535 -27.9283 -27.9283 -10.8304 -10.8304 -10.7665 -10.7665 -9.7658 -9.7658 -9.6972 -9.6972 -9.6104 -9.6104 -9.5212 -9.5212 -2.1215 -2.1215 1.7589 1.7589 4.1645 4.1645 5.7801 5.7801 6.3452 6.3452 6.4762 6.4762 8.1789 8.1789 9.3112 9.3112 9.4208 9.4208 10.1886 10.1886 k = 0.2751 0.6966-0.0000 ( 3302 PWs) bands (ev): -27.9536 -27.9536 -27.9281 -27.9281 -10.8311 -10.8311 -10.7661 -10.7661 -9.7664 -9.7664 -9.6973 -9.6973 -9.6109 -9.6109 -9.5205 -9.5205 -2.1197 -2.1197 1.7683 1.7683 4.1474 4.1474 5.7781 5.7781 6.3077 6.3077 6.4908 6.4908 8.2025 8.2025 9.3419 9.3419 9.4134 9.4134 10.1830 10.1830 k = 0.2555 0.6966-0.0000 ( 3306 PWs) bands (ev): -27.9538 -27.9538 -27.9279 -27.9279 -10.8318 -10.8318 -10.7656 -10.7656 -9.7672 -9.7672 -9.6972 -9.6972 -9.6114 -9.6114 -9.5196 -9.5196 -2.1184 -2.1184 1.7772 1.7772 4.1333 4.1333 5.7764 5.7764 6.2526 6.2526 6.5206 6.5206 8.2266 8.2266 9.3700 9.3700 9.4078 9.4078 10.1872 10.1872 k = 0.2358 0.6966-0.0000 ( 3303 PWs) bands (ev): -27.9540 -27.9540 -27.9277 -27.9277 -10.8326 -10.8326 -10.7650 -10.7650 -9.7680 -9.7680 -9.6971 -9.6971 -9.6120 -9.6120 -9.5187 -9.5187 -2.1173 -2.1173 1.7856 1.7856 4.1224 4.1224 5.7749 5.7749 6.1930 6.1930 6.5527 6.5527 8.2511 8.2511 9.3793 9.3793 9.4185 9.4185 10.2028 10.2028 k = 0.2162 0.6966-0.0000 ( 3300 PWs) bands (ev): -27.9542 -27.9542 -27.9275 -27.9275 -10.8335 -10.8335 -10.7644 -10.7644 -9.7690 -9.7690 -9.6969 -9.6969 -9.6125 -9.6125 -9.5178 -9.5178 -2.1166 -2.1166 1.7933 1.7933 4.1146 4.1146 5.7735 5.7735 6.1329 6.1329 6.5836 6.5836 8.2756 8.2756 9.3702 9.3702 9.4437 9.4437 10.2315 10.2315 k = 0.1965 0.6966-0.0000 ( 3294 PWs) bands (ev): -27.9544 -27.9544 -27.9273 -27.9273 -10.8343 -10.8343 -10.7637 -10.7637 -9.7699 -9.7699 -9.6966 -9.6966 -9.6130 -9.6130 -9.5168 -9.5168 -2.1162 -2.1162 1.8003 1.8003 4.1097 4.1097 5.7721 5.7721 6.0743 6.0743 6.6119 6.6119 8.2999 8.2999 9.3572 9.3572 9.4683 9.4683 10.2739 10.2739 k = 0.1769 0.6966-0.0000 ( 3288 PWs) bands (ev): -27.9546 -27.9546 -27.9271 -27.9271 -10.8351 -10.8351 -10.7631 -10.7631 -9.7708 -9.7708 -9.6963 -9.6963 -9.6135 -9.6135 -9.5159 -9.5159 -2.1159 -2.1159 1.8066 1.8066 4.1076 4.1076 5.7705 5.7705 6.0182 6.0182 6.6372 6.6372 8.3237 8.3237 9.3429 9.3429 9.4894 9.4894 10.3303 10.3303 k = 0.1572 0.6966-0.0000 ( 3287 PWs) bands (ev): -27.9548 -27.9548 -27.9269 -27.9269 -10.8358 -10.8358 -10.7625 -10.7625 -9.7717 -9.7717 -9.6960 -9.6960 -9.6139 -9.6139 -9.5151 -9.5151 -2.1159 -2.1159 1.8120 1.8120 4.1078 4.1078 5.7684 5.7684 5.9660 5.9660 6.6592 6.6592 8.3465 8.3465 9.3284 9.3284 9.5064 9.5064 10.3997 10.3997 k = 0.1376 0.6966-0.0000 ( 3288 PWs) bands (ev): -27.9550 -27.9550 -27.9267 -27.9267 -10.8365 -10.8365 -10.7619 -10.7619 -9.7726 -9.7726 -9.6957 -9.6957 -9.6143 -9.6143 -9.5143 -9.5143 -2.1159 -2.1159 1.8167 1.8167 4.1100 4.1100 5.7653 5.7653 5.9188 5.9188 6.6781 6.6781 8.3679 8.3679 9.3142 9.3142 9.5197 9.5197 10.4808 10.4808 k = 0.1179 0.6966-0.0000 ( 3296 PWs) bands (ev): -27.9551 -27.9551 -27.9265 -27.9265 -10.8371 -10.8371 -10.7613 -10.7613 -9.7734 -9.7734 -9.6953 -9.6953 -9.6147 -9.6147 -9.5136 -9.5136 -2.1160 -2.1160 1.8206 1.8206 4.1136 4.1136 5.7603 5.7603 5.8783 5.8783 6.6940 6.6940 8.3876 8.3876 9.3009 9.3009 9.5300 9.5300 10.5718 10.5718 k = 0.0983 0.6966-0.0000 ( 3296 PWs) bands (ev): -27.9553 -27.9553 -27.9263 -27.9263 -10.8377 -10.8377 -10.7609 -10.7609 -9.7741 -9.7741 -9.6951 -9.6951 -9.6150 -9.6150 -9.5129 -9.5129 -2.1162 -2.1162 1.8237 1.8237 4.1180 4.1180 5.7521 5.7521 5.8465 5.8465 6.7069 6.7069 8.4050 8.4050 9.2889 9.2889 9.5379 9.5379 10.6706 10.6706 k = 0.0786 0.6966-0.0000 ( 3296 PWs) bands (ev): -27.9554 -27.9554 -27.9262 -27.9262 -10.8381 -10.8381 -10.7605 -10.7605 -9.7747 -9.7747 -9.6948 -9.6948 -9.6152 -9.6152 -9.5124 -9.5124 -2.1163 -2.1163 1.8263 1.8263 4.1226 4.1226 5.7398 5.7398 5.8250 5.8250 6.7172 6.7172 8.4198 8.4198 9.2786 9.2786 9.5439 9.5439 10.7742 10.7742 k = 0.0590 0.6966-0.0000 ( 3297 PWs) bands (ev): -27.9555 -27.9555 -27.9261 -27.9261 -10.8385 -10.8385 -10.7602 -10.7602 -9.7752 -9.7752 -9.6946 -9.6946 -9.6154 -9.6154 -9.5120 -9.5120 -2.1165 -2.1165 1.8282 1.8282 4.1270 4.1270 5.7252 5.7252 5.8125 5.8125 6.7250 6.7250 8.4317 8.4317 9.2702 9.2702 9.5483 9.5483 10.8742 10.8742 k = 0.0393 0.6966-0.0000 ( 3293 PWs) bands (ev): -27.9556 -27.9556 -27.9260 -27.9260 -10.8387 -10.8387 -10.7599 -10.7599 -9.7755 -9.7755 -9.6945 -9.6945 -9.6156 -9.6156 -9.5117 -9.5117 -2.1166 -2.1166 1.8295 1.8295 4.1305 4.1305 5.7118 5.7118 5.8061 5.8061 6.7304 6.7304 8.4404 8.4404 9.2640 9.2640 9.5514 9.5514 10.9097 10.9097 k = 0.0197 0.6966-0.0000 ( 3287 PWs) bands (ev): -27.9556 -27.9556 -27.9260 -27.9260 -10.8389 -10.8389 -10.7598 -10.7598 -9.7758 -9.7758 -9.6944 -9.6944 -9.6156 -9.6156 -9.5115 -9.5115 -2.1167 -2.1167 1.8302 1.8302 4.1328 4.1328 5.7028 5.7028 5.8030 5.8030 6.7336 6.7336 8.4457 8.4457 9.2603 9.2603 9.5532 9.5532 10.9161 10.9161 k = 0.0000 0.6966-0.0000 ( 3286 PWs) bands (ev): -27.9556 -27.9556 -27.9259 -27.9259 -10.8389 -10.8389 -10.7598 -10.7598 -9.7758 -9.7758 -9.6943 -9.6943 -9.6157 -9.6157 -9.5114 -9.5114 -2.1167 -2.1167 1.8305 1.8305 4.1336 4.1336 5.6997 5.6997 5.8021 5.8021 6.7347 6.7347 8.4475 8.4475 9.2590 9.2590 9.5538 9.5538 10.9180 10.9180 k = 0.0000 0.6966-0.0000 ( 3286 PWs) bands (ev): -27.9556 -27.9556 -27.9259 -27.9259 -10.8389 -10.8389 -10.7598 -10.7598 -9.7758 -9.7758 -9.6943 -9.6943 -9.6157 -9.6157 -9.5114 -9.5114 -2.1167 -2.1167 1.8305 1.8305 4.1336 4.1336 5.6997 5.6997 5.8021 5.8021 6.7347 6.7347 8.4475 8.4475 9.2590 9.2590 9.5538 9.5538 10.9180 10.9180 k = 0.0000 0.6966 0.0195 ( 3286 PWs) bands (ev): -27.9556 -27.9556 -27.9259 -27.9259 -10.8389 -10.8389 -10.7598 -10.7598 -9.7759 -9.7759 -9.6943 -9.6943 -9.6158 -9.6158 -9.5116 -9.5116 -2.1156 -2.1156 1.8284 1.8284 4.1351 4.1351 5.6995 5.6995 5.7977 5.7977 6.7341 6.7341 8.4573 8.4573 9.2524 9.2524 9.5528 9.5528 10.9158 10.9158 k = 0.0000 0.6966 0.0391 ( 3286 PWs) bands (ev): -27.9555 -27.9555 -27.9259 -27.9259 -10.8389 -10.8389 -10.7600 -10.7600 -9.7760 -9.7760 -9.6941 -9.6941 -9.6163 -9.6163 -9.5121 -9.5121 -2.1123 -2.1123 1.8222 1.8222 4.1394 4.1394 5.6977 5.6977 5.7861 5.7861 6.7322 6.7322 8.4863 8.4863 9.2329 9.2329 9.5499 9.5499 10.9080 10.9080 k = 0.0000 0.6966 0.0586 ( 3294 PWs) bands (ev): -27.9554 -27.9554 -27.9259 -27.9259 -10.8389 -10.8389 -10.7603 -10.7603 -9.7763 -9.7763 -9.6939 -9.6939 -9.6170 -9.6170 -9.5128 -9.5128 -2.1068 -2.1068 1.8118 1.8118 4.1465 4.1465 5.6902 5.6902 5.7723 5.7723 6.7291 6.7291 8.5333 8.5333 9.2014 9.2014 9.5450 9.5450 10.8932 10.8932 k = 0.0000 0.6966 0.0781 ( 3292 PWs) bands (ev): -27.9552 -27.9552 -27.9260 -27.9260 -10.8390 -10.8390 -10.7608 -10.7608 -9.7766 -9.7766 -9.6936 -9.6936 -9.6180 -9.6180 -9.5139 -9.5139 -2.0990 -2.0990 1.7971 1.7971 4.1565 4.1565 5.6701 5.6701 5.7647 5.7647 6.7249 6.7249 8.5964 8.5964 9.1592 9.1592 9.5382 9.5382 10.8733 10.8733 k = 0.0000 0.6966 0.0976 ( 3288 PWs) bands (ev): -27.9550 -27.9550 -27.9260 -27.9260 -10.8390 -10.8390 -10.7614 -10.7614 -9.7770 -9.7770 -9.6931 -9.6931 -9.6193 -9.6193 -9.5152 -9.5152 -2.0891 -2.0891 1.7782 1.7782 4.1693 4.1693 5.6358 5.6358 5.7667 5.7667 6.7196 6.7196 8.6734 8.6734 9.1079 9.1079 9.5295 9.5295 10.8509 10.8509 k = 0.0000 0.6966 0.1172 ( 3290 PWs) bands (ev): -27.9547 -27.9547 -27.9260 -27.9260 -10.8390 -10.8390 -10.7621 -10.7621 -9.7775 -9.7775 -9.6926 -9.6926 -9.6209 -9.6209 -9.5168 -9.5168 -2.0769 -2.0769 1.7549 1.7549 4.1848 4.1848 5.5919 5.5919 5.7752 5.7752 6.7132 6.7132 8.7614 8.7614 9.0494 9.0494 9.5189 9.5189 10.8277 10.8277 k = 0.0000 0.6966 0.1367 ( 3296 PWs) bands (ev): -27.9544 -27.9544 -27.9260 -27.9260 -10.8391 -10.8391 -10.7629 -10.7629 -9.7780 -9.7780 -9.6921 -9.6921 -9.6227 -9.6227 -9.5186 -9.5186 -2.0625 -2.0625 1.7272 1.7272 4.2030 4.2030 5.5428 5.5428 5.7878 5.7878 6.7058 6.7058 8.8557 8.8557 8.9873 8.9873 9.5067 9.5067 10.8047 10.8047 k = 0.0000 0.6966 0.1562 ( 3294 PWs) bands (ev): -27.9541 -27.9541 -27.9260 -27.9260 -10.8391 -10.8391 -10.7639 -10.7639 -9.7786 -9.7786 -9.6914 -9.6914 -9.6247 -9.6247 -9.5207 -9.5207 -2.0460 -2.0460 1.6951 1.6951 4.2238 4.2238 5.4913 5.4913 5.8029 5.8029 6.6976 6.6976 8.9007 8.9007 8.9757 8.9757 9.4936 9.4936 10.7826 10.7826 k = 0.0000 0.6966 0.1757 ( 3294 PWs) bands (ev): -27.9537 -27.9537 -27.9260 -27.9260 -10.8392 -10.8392 -10.7650 -10.7650 -9.7793 -9.7793 -9.6907 -9.6907 -9.6269 -9.6269 -9.5230 -9.5230 -2.0272 -2.0272 1.6584 1.6584 4.2470 4.2470 5.4395 5.4395 5.8197 5.8197 6.6887 6.6887 8.8358 8.8358 9.0723 9.0723 9.4816 9.4816 10.7618 10.7618 k = 0.0000 0.6966 0.1953 ( 3298 PWs) bands (ev): -27.9532 -27.9532 -27.9260 -27.9260 -10.8392 -10.8392 -10.7662 -10.7662 -9.7800 -9.7800 -9.6900 -9.6900 -9.6294 -9.6294 -9.5255 -9.5255 -2.0062 -2.0062 1.6173 1.6173 4.2726 4.2726 5.3890 5.3890 5.8374 5.8374 6.6793 6.6793 8.7620 8.7620 9.1699 9.1699 9.4757 9.4757 10.7427 10.7427 k = 0.0000 0.6966 0.2148 ( 3294 PWs) bands (ev): -27.9527 -27.9527 -27.9260 -27.9260 -10.8393 -10.8393 -10.7676 -10.7676 -9.7807 -9.7807 -9.6893 -9.6893 -9.6320 -9.6320 -9.5282 -9.5282 -1.9829 -1.9829 1.5718 1.5718 4.3004 4.3004 5.3411 5.3411 5.8554 5.8554 6.6698 6.6698 8.6864 8.6864 9.2473 9.2473 9.4893 9.4893 10.7256 10.7256 k = 0.0000 0.6966 0.2343 ( 3294 PWs) bands (ev): -27.9522 -27.9522 -27.9261 -27.9261 -10.8394 -10.8394 -10.7690 -10.7690 -9.7815 -9.7815 -9.6886 -9.6886 -9.6346 -9.6346 -9.5310 -9.5310 -1.9575 -1.9575 1.5218 1.5218 4.3301 4.3301 5.2968 5.2968 5.8729 5.8729 6.6605 6.6605 8.6102 8.6102 9.2829 9.2829 9.5417 9.5417 10.7110 10.7110 k = 0.0000 0.6966 0.2538 ( 3294 PWs) bands (ev): -27.9517 -27.9517 -27.9261 -27.9261 -10.8394 -10.8394 -10.7706 -10.7706 -9.7822 -9.7822 -9.6880 -9.6880 -9.6374 -9.6374 -9.5339 -9.5339 -1.9299 -1.9299 1.4676 1.4676 4.3615 4.3615 5.2572 5.2572 5.8891 5.8891 6.6519 6.6519 8.5344 8.5344 9.2802 9.2802 9.6277 9.6277 10.6992 10.6992 k = 0.0000 0.6966 0.2734 ( 3296 PWs) bands (ev): -27.9511 -27.9511 -27.9262 -27.9262 -10.8395 -10.8395 -10.7723 -10.7723 -9.7829 -9.7829 -9.6875 -9.6875 -9.6401 -9.6401 -9.5370 -9.5370 -1.9000 -1.9000 1.4092 1.4092 4.3943 4.3943 5.2229 5.2229 5.9031 5.9031 6.6444 6.6444 8.4595 8.4595 9.2583 9.2583 9.7270 9.7270 10.6905 10.6905 k = 0.0000 0.6966 0.2929 ( 3300 PWs) bands (ev): -27.9504 -27.9504 -27.9262 -27.9262 -10.8395 -10.8395 -10.7741 -10.7741 -9.7836 -9.7836 -9.6873 -9.6873 -9.6427 -9.6427 -9.5401 -9.5401 -1.8680 -1.8680 1.3468 1.3468 4.4281 4.4281 5.1946 5.1946 5.9141 5.9141 6.6386 6.6386 8.3863 8.3863 9.2271 9.2271 9.8286 9.8286 10.6852 10.6852 k = 0.0000 0.6966 0.3124 ( 3302 PWs) bands (ev): -27.9498 -27.9498 -27.9263 -27.9263 -10.8395 -10.8395 -10.7761 -10.7761 -9.7843 -9.7843 -9.6873 -9.6873 -9.6451 -9.6451 -9.5434 -9.5434 -1.8338 -1.8338 1.2807 1.2807 4.4625 4.4625 5.1730 5.1730 5.9210 5.9210 6.6352 6.6352 8.3150 8.3150 9.1904 9.1904 9.9281 9.9281 10.6836 10.6836 k = 0.0000 0.6966 0.3320 ( 3298 PWs) bands (ev): -27.9491 -27.9491 -27.9264 -27.9264 -10.8395 -10.8395 -10.7781 -10.7781 -9.7849 -9.7849 -9.6878 -9.6878 -9.6471 -9.6471 -9.5467 -9.5467 -1.7973 -1.7973 1.2110 1.2110 4.4971 4.4971 5.1585 5.1585 5.9231 5.9231 6.6343 6.6343 8.2462 8.2462 9.1498 9.1498 10.0233 10.0233 10.6860 10.6860 k = 0.0000 0.6966 0.3515 ( 3300 PWs) bands (ev): -27.9484 -27.9484 -27.9265 -27.9265 -10.8395 -10.8395 -10.7802 -10.7802 -9.7854 -9.7854 -9.6887 -9.6887 -9.6487 -9.6487 -9.5500 -9.5500 -1.7587 -1.7587 1.1382 1.1382 4.5312 4.5312 5.1515 5.1515 5.9199 5.9199 6.6363 6.6363 8.1803 8.1803 9.1065 9.1065 10.1135 10.1135 10.6926 10.6926 k = 0.0000 0.6966 0.3710 ( 3300 PWs) bands (ev): -27.9477 -27.9477 -27.9267 -27.9267 -10.8395 -10.8395 -10.7824 -10.7824 -9.7858 -9.7858 -9.6903 -9.6903 -9.6497 -9.6497 -9.5534 -9.5534 -1.7179 -1.7179 1.0624 1.0624 4.5645 4.5645 5.1526 5.1526 5.9108 5.9108 6.6410 6.6410 8.1178 8.1178 9.0608 9.0608 10.1981 10.1981 10.7037 10.7037 k = 0.0000 0.6966 0.3905 ( 3306 PWs) bands (ev): -27.9469 -27.9469 -27.9268 -27.9268 -10.8394 -10.8394 -10.7846 -10.7846 -9.7862 -9.7862 -9.6924 -9.6924 -9.6502 -9.6502 -9.5567 -9.5567 -1.6749 -1.6749 0.9840 0.9840 4.5965 4.5965 5.1617 5.1617 5.8959 5.8959 6.6477 6.6477 8.0592 8.0592 9.0134 9.0134 10.2773 10.2773 10.7193 10.7193 k = 0.0000 0.6966 0.4101 ( 3302 PWs) bands (ev): -27.9462 -27.9462 -27.9270 -27.9270 -10.8393 -10.8393 -10.7869 -10.7869 -9.7864 -9.7864 -9.6951 -9.6951 -9.6502 -9.6502 -9.5601 -9.5601 -1.6297 -1.6297 0.9034 0.9034 4.6270 4.6270 5.1790 5.1790 5.8755 5.8755 6.6558 6.6558 8.0051 8.0051 8.9645 8.9645 10.3513 10.3513 10.7395 10.7395 k = 0.0000 0.6966 0.4296 ( 3306 PWs) bands (ev): -27.9454 -27.9454 -27.9271 -27.9271 -10.8392 -10.8392 -10.7893 -10.7893 -9.7864 -9.7864 -9.6982 -9.6982 -9.6496 -9.6496 -9.5635 -9.5635 -1.5824 -1.5824 0.8208 0.8208 4.6560 4.6560 5.2042 5.2042 5.8500 5.8500 6.6639 6.6639 7.9561 7.9561 8.9144 8.9144 10.4205 10.4205 10.7643 10.7643 k = 0.0000 0.6966 0.4491 ( 3310 PWs) bands (ev): -27.9446 -27.9446 -27.9273 -27.9273 -10.8390 -10.8390 -10.7918 -10.7918 -9.7863 -9.7863 -9.7018 -9.7018 -9.6486 -9.6486 -9.5668 -9.5668 -1.5329 -1.5329 0.7365 0.7365 4.6837 4.6837 5.2367 5.2367 5.8200 5.8200 6.6708 6.6708 7.9128 7.9128 8.8633 8.8633 10.4853 10.4853 10.7938 10.7938 k = 0.0000 0.6966 0.4686 ( 3308 PWs) bands (ev): -27.9438 -27.9438 -27.9276 -27.9276 -10.8387 -10.8387 -10.7942 -10.7942 -9.7861 -9.7861 -9.7056 -9.7056 -9.6473 -9.6473 -9.5702 -9.5702 -1.4813 -1.4813 0.6509 0.6509 4.7105 4.7105 5.2759 5.2759 5.7860 5.7860 6.6749 6.6749 7.8762 7.8762 8.8116 8.8116 10.5463 10.5463 10.8278 10.8278 k = 0.0000 0.6966 0.4882 ( 3306 PWs) bands (ev): -27.9430 -27.9430 -27.9278 -27.9278 -10.8384 -10.8384 -10.7967 -10.7967 -9.7857 -9.7857 -9.7097 -9.7097 -9.6457 -9.6457 -9.5735 -9.5735 -1.4275 -1.4275 0.5643 0.5643 4.7367 4.7367 5.3209 5.3209 5.7488 5.7488 6.6750 6.6750 7.8469 7.8469 8.7594 8.7594 10.6038 10.6038 10.8660 10.8660 k = 0.0000 0.6966 0.5077 ( 3304 PWs) bands (ev): -27.9422 -27.9422 -27.9281 -27.9281 -10.8380 -10.8380 -10.7992 -10.7992 -9.7851 -9.7851 -9.7139 -9.7139 -9.6439 -9.6439 -9.5768 -9.5768 -1.3716 -1.3716 0.4770 0.4770 4.7630 4.7630 5.3708 5.3708 5.7090 5.7090 6.6697 6.6697 7.8255 7.8255 8.7068 8.7068 10.6583 10.6583 10.9084 10.9084 k = 0.0000 0.6966 0.5272 ( 3304 PWs) bands (ev): -27.9415 -27.9415 -27.9284 -27.9284 -10.8376 -10.8376 -10.8017 -10.8017 -9.7843 -9.7843 -9.7182 -9.7182 -9.6419 -9.6419 -9.5800 -9.5800 -1.3137 -1.3137 0.3892 0.3892 4.7897 4.7897 5.4248 5.4248 5.6673 5.6673 6.6580 6.6580 7.8125 7.8125 8.6541 8.6541 10.7102 10.7102 10.9545 10.9545 k = 0.0000 0.6966 0.5467 ( 3308 PWs) bands (ev): -27.9407 -27.9407 -27.9287 -27.9287 -10.8370 -10.8370 -10.8042 -10.8042 -9.7833 -9.7833 -9.7225 -9.7225 -9.6398 -9.6398 -9.5832 -9.5832 -1.2537 -1.2537 0.3012 0.3012 4.8172 4.8172 5.4817 5.4817 5.6246 5.6246 6.6394 6.6394 7.8079 7.8079 8.6013 8.6013 10.7597 10.7597 11.0038 11.0038 k = 0.0000 0.6966 0.5663 ( 3302 PWs) bands (ev): -27.9399 -27.9399 -27.9291 -27.9291 -10.8364 -10.8364 -10.8066 -10.8066 -9.7821 -9.7821 -9.7269 -9.7269 -9.6375 -9.6375 -9.5864 -9.5864 -1.1916 -1.1916 0.2131 0.2131 4.8458 4.8458 5.5360 5.5360 5.5861 5.5861 6.6136 6.6136 7.8116 7.8116 8.5486 8.5486 10.8074 10.8074 11.0559 11.0559 k = 0.0000 0.6966 0.5858 ( 3304 PWs) bands (ev): -27.9391 -27.9391 -27.9295 -27.9295 -10.8356 -10.8356 -10.8091 -10.8091 -9.7806 -9.7806 -9.7312 -9.7312 -9.6351 -9.6351 -9.5896 -9.5896 -1.1276 -1.1276 0.1254 0.1254 4.8757 4.8757 5.5262 5.5262 5.6132 5.6132 6.5809 6.5809 7.8230 7.8230 8.4960 8.4960 10.8534 10.8534 11.1099 11.1099 k = 0.0000 0.6966 0.6053 ( 3304 PWs) bands (ev): -27.9384 -27.9384 -27.9299 -27.9299 -10.8348 -10.8348 -10.8114 -10.8114 -9.7790 -9.7790 -9.7354 -9.7354 -9.6327 -9.6327 -9.5927 -9.5927 -1.0615 -1.0615 0.0380 0.0380 4.9070 4.9070 5.4825 5.4825 5.6756 5.6756 6.5418 6.5418 7.8414 7.8414 8.4437 8.4437 10.8981 10.8981 11.1650 11.1650 k = 0.0000 0.6966 0.6249 ( 3310 PWs) bands (ev): -27.9376 -27.9376 -27.9303 -27.9303 -10.8338 -10.8338 -10.8137 -10.8137 -9.7772 -9.7772 -9.7396 -9.7396 -9.6301 -9.6301 -9.5958 -9.5958 -0.9936 -0.9936 -0.0487 -0.0487 4.9398 4.9398 5.4367 5.4367 5.7413 5.7413 6.4969 6.4969 7.8659 7.8659 8.3918 8.3918 10.9418 10.9418 11.2197 11.2197 k = 0.0000 0.6966 0.6444 ( 3306 PWs) bands (ev): -27.9369 -27.9369 -27.9308 -27.9308 -10.8328 -10.8328 -10.8160 -10.8160 -9.7751 -9.7751 -9.7436 -9.7436 -9.6275 -9.6275 -9.5989 -9.5989 -0.9237 -0.9237 -0.1347 -0.1347 4.9742 4.9742 5.3907 5.3907 5.8084 5.8084 6.4469 6.4469 7.8955 7.8955 8.3405 8.3405 10.9848 10.9848 11.2717 11.2717 k = 0.0000 0.6966 0.6639 ( 3310 PWs) bands (ev): -27.9362 -27.9362 -27.9313 -27.9313 -10.8316 -10.8316 -10.8181 -10.8181 -9.7728 -9.7728 -9.7475 -9.7475 -9.6248 -9.6248 -9.6019 -9.6019 -0.8520 -0.8520 -0.2197 -0.2197 5.0101 5.0101 5.3448 5.3448 5.8762 5.8762 6.3927 6.3927 7.9296 7.9296 8.2897 8.2897 11.0273 11.0273 11.3133 11.3133 k = 0.0000 0.6966 0.6834 ( 3304 PWs) bands (ev): -27.9355 -27.9355 -27.9318 -27.9318 -10.8303 -10.8303 -10.8202 -10.8202 -9.7704 -9.7704 -9.7513 -9.7513 -9.6221 -9.6221 -9.6049 -9.6049 -0.7785 -0.7785 -0.3036 -0.3036 5.0475 5.0475 5.2994 5.2994 5.9442 5.9442 6.3348 6.3348 7.9672 7.9672 8.2397 8.2397 11.0695 11.0695 11.3138 11.3138 k = 0.0000 0.6966 0.7030 ( 3304 PWs) bands (ev): -27.9348 -27.9348 -27.9323 -27.9323 -10.8289 -10.8289 -10.8221 -10.8221 -9.7677 -9.7677 -9.7549 -9.7549 -9.6194 -9.6194 -9.6079 -9.6079 -0.7032 -0.7032 -0.3864 -0.3864 5.0864 5.0864 5.2547 5.2547 6.0121 6.0121 6.2741 6.2741 8.0078 8.0078 8.1906 8.1906 11.1116 11.1116 11.2792 11.2792 k = 0.0000 0.6966 0.7225 ( 3306 PWs) bands (ev): -27.9342 -27.9342 -27.9329 -27.9329 -10.8274 -10.8274 -10.8240 -10.8240 -9.7648 -9.7648 -9.7584 -9.7584 -9.6165 -9.6165 -9.6108 -9.6108 -0.6263 -0.6263 -0.4678 -0.4678 5.1266 5.1266 5.2109 5.2109 6.0795 6.0795 6.2109 6.2109 8.0508 8.0508 8.1426 8.1426 11.1538 11.1538 11.2382 11.2382 k = 0.0000 0.6966 0.7420 ( 3304 PWs) bands (ev): -27.9335 -27.9335 -27.9335 -27.9335 -10.8257 -10.8257 -10.8257 -10.8257 -9.7617 -9.7617 -9.7617 -9.7617 -9.6137 -9.6137 -9.6137 -9.6137 -0.5478 -0.5478 -0.5478 -0.5478 5.1682 5.1682 5.1682 5.1682 6.1459 6.1459 6.1459 6.1459 8.0959 8.0959 8.0959 8.0959 11.1961 11.1961 11.1961 11.1961 k = 0.0000 0.6966 0.7420 ( 3304 PWs) bands (ev): -27.9335 -27.9335 -27.9335 -27.9335 -10.8257 -10.8257 -10.8257 -10.8257 -9.7617 -9.7617 -9.7617 -9.7617 -9.6137 -9.6137 -9.6137 -9.6137 -0.5478 -0.5478 -0.5478 -0.5478 5.1682 5.1682 5.1682 5.1682 6.1459 6.1459 6.1459 6.1459 8.0959 8.0959 8.0959 8.0959 11.1961 11.1961 11.1961 11.1961 k = 0.0197 0.6966 0.7420 ( 3304 PWs) bands (ev): -27.9335 -27.9335 -27.9335 -27.9335 -10.8259 -10.8259 -10.8256 -10.8256 -9.7651 -9.7651 -9.7583 -9.7583 -9.6170 -9.6170 -9.6104 -9.6104 -0.5482 -0.5482 -0.5471 -0.5471 5.1645 5.1645 5.1691 5.1691 6.1456 6.1456 6.1468 6.1468 8.0973 8.0973 8.0997 8.0997 11.1915 11.1915 11.1951 11.1951 k = 0.0393 0.6966 0.7420 ( 3306 PWs) bands (ev): -27.9335 -27.9335 -27.9335 -27.9335 -10.8261 -10.8261 -10.8255 -10.8255 -9.7684 -9.7684 -9.7549 -9.7549 -9.6203 -9.6203 -9.6070 -9.6070 -0.5482 -0.5482 -0.5460 -0.5460 5.1581 5.1581 5.1671 5.1671 6.1460 6.1460 6.1484 6.1484 8.1039 8.1039 8.1085 8.1085 11.1805 11.1805 11.1880 11.1880 k = 0.0590 0.6966 0.7420 ( 3310 PWs) bands (ev): -27.9335 -27.9335 -27.9335 -27.9335 -10.8263 -10.8263 -10.8254 -10.8254 -9.7716 -9.7716 -9.7515 -9.7515 -9.6235 -9.6235 -9.6038 -9.6038 -0.5479 -0.5479 -0.5445 -0.5445 5.1491 5.1491 5.1624 5.1624 6.1472 6.1472 6.1506 6.1506 8.1155 8.1155 8.1223 8.1223 11.1608 11.1608 11.1728 11.1728 k = 0.0786 0.6966 0.7420 ( 3308 PWs) bands (ev): -27.9335 -27.9335 -27.9335 -27.9335 -10.8265 -10.8265 -10.8253 -10.8253 -9.7746 -9.7746 -9.7483 -9.7483 -9.6266 -9.6266 -9.6006 -9.6006 -0.5473 -0.5473 -0.5428 -0.5428 5.1377 5.1377 5.1552 5.1552 6.1490 6.1490 6.1534 6.1534 8.1316 8.1316 8.1405 8.1405 11.1299 11.1299 11.1465 11.1465 k = 0.0983 0.6966 0.7420 ( 3304 PWs) bands (ev): -27.9335 -27.9335 -27.9335 -27.9335 -10.8267 -10.8267 -10.8253 -10.8253 -9.7776 -9.7776 -9.7452 -9.7452 -9.6295 -9.6295 -9.5976 -9.5976 -0.5463 -0.5463 -0.5408 -0.5408 5.1244 5.1244 5.1456 5.1456 6.1514 6.1514 6.1567 6.1567 8.1519 8.1519 8.1627 8.1627 11.0862 11.0862 11.1074 11.1074 k = 0.1179 0.6966 0.7420 ( 3308 PWs) bands (ev): -27.9335 -27.9335 -27.9335 -27.9335 -10.8270 -10.8270 -10.8253 -10.8253 -9.7803 -9.7803 -9.7423 -9.7423 -9.6321 -9.6321 -9.5946 -9.5946 -0.5450 -0.5450 -0.5385 -0.5385 5.1093 5.1093 5.1339 5.1339 6.1545 6.1545 6.1605 6.1605 8.1756 8.1756 8.1882 8.1882 11.0312 11.0312 11.0558 11.0558 k = 0.1376 0.6966 0.7420 ( 3310 PWs) bands (ev): -27.9335 -27.9335 -27.9335 -27.9335 -10.8272 -10.8272 -10.8253 -10.8253 -9.7829 -9.7829 -9.7397 -9.7397 -9.6345 -9.6345 -9.5919 -9.5919 -0.5435 -0.5435 -0.5360 -0.5360 5.0930 5.0930 5.1206 5.1206 6.1582 6.1582 6.1648 6.1648 8.2021 8.2021 8.2162 8.2162 10.9679 10.9679 10.9950 10.9950 k = 0.1572 0.6966 0.7420 ( 3314 PWs) bands (ev): -27.9335 -27.9335 -27.9335 -27.9335 -10.8275 -10.8275 -10.8254 -10.8254 -9.7852 -9.7852 -9.7374 -9.7374 -9.6365 -9.6365 -9.5893 -9.5893 -0.5417 -0.5417 -0.5334 -0.5334 5.0757 5.0757 5.1059 5.1059 6.1625 6.1625 6.1696 6.1696 8.2305 8.2305 8.2458 8.2458 10.9001 10.9001 10.9289 10.9289 k = 0.1769 0.6966 0.7420 ( 3308 PWs) bands (ev): -27.9336 -27.9336 -27.9336 -27.9336 -10.8277 -10.8277 -10.8255 -10.8255 -9.7873 -9.7873 -9.7354 -9.7354 -9.6382 -9.6382 -9.5869 -9.5869 -0.5398 -0.5398 -0.5307 -0.5307 5.0579 5.0579 5.0903 5.0903 6.1673 6.1673 6.1747 6.1747 8.2597 8.2597 8.2761 8.2761 10.8312 10.8312 10.8609 10.8609 k = 0.1965 0.6966 0.7420 ( 3310 PWs) bands (ev): -27.9336 -27.9336 -27.9336 -27.9336 -10.8279 -10.8279 -10.8256 -10.8256 -9.7891 -9.7891 -9.7339 -9.7339 -9.6395 -9.6395 -9.5848 -9.5848 -0.5378 -0.5378 -0.5279 -0.5279 5.0400 5.0400 5.0741 5.0741 6.1725 6.1725 6.1801 6.1801 8.2888 8.2888 8.3060 8.3060 10.7639 10.7639 10.7941 10.7941 k = 0.2162 0.6966 0.7420 ( 3312 PWs) bands (ev): -27.9336 -27.9336 -27.9336 -27.9336 -10.8281 -10.8281 -10.8257 -10.8257 -9.7907 -9.7907 -9.7328 -9.7328 -9.6403 -9.6403 -9.5829 -9.5829 -0.5356 -0.5356 -0.5252 -0.5252 5.0223 5.0223 5.0577 5.0577 6.1782 6.1782 6.1859 6.1859 8.3167 8.3167 8.3344 8.3344 10.7006 10.7006 10.7309 10.7309 k = 0.2358 0.6966 0.7420 ( 3310 PWs) bands (ev): -27.9336 -27.9336 -27.9336 -27.9336 -10.8282 -10.8282 -10.8258 -10.8258 -9.7920 -9.7920 -9.7322 -9.7322 -9.6406 -9.6406 -9.5812 -9.5812 -0.5335 -0.5335 -0.5225 -0.5225 5.0052 5.0052 5.0416 5.0416 6.1841 6.1841 6.1918 6.1918 8.3422 8.3422 8.3602 8.3602 10.6431 10.6431 10.6732 10.6732 k = 0.2555 0.6966 0.7420 ( 3314 PWs) bands (ev): -27.9336 -27.9336 -27.9336 -27.9336 -10.8283 -10.8283 -10.8260 -10.8260 -9.7930 -9.7930 -9.7320 -9.7320 -9.6405 -9.6405 -9.5798 -9.5798 -0.5313 -0.5313 -0.5199 -0.5199 4.9891 4.9891 5.0261 5.0261 6.1903 6.1903 6.1980 6.1980 8.3642 8.3642 8.3822 8.3822 10.5930 10.5930 10.6227 10.6227 k = 0.2751 0.6966 0.7420 ( 3314 PWs) bands (ev): -27.9336 -27.9336 -27.9336 -27.9336 -10.8284 -10.8284 -10.8261 -10.8261 -9.7937 -9.7937 -9.7322 -9.7322 -9.6400 -9.6400 -9.5787 -9.5787 -0.5293 -0.5293 -0.5175 -0.5175 4.9742 4.9742 5.0114 5.0114 6.1966 6.1966 6.2043 6.2043 8.3818 8.3818 8.3996 8.3996 10.5516 10.5516 10.5807 10.5807 k = 0.2948 0.6966 0.7420 ( 3316 PWs) bands (ev): -27.9336 -27.9336 -27.9336 -27.9336 -10.8285 -10.8285 -10.8262 -10.8262 -9.7941 -9.7941 -9.7329 -9.7329 -9.6390 -9.6390 -9.5778 -9.5778 -0.5274 -0.5274 -0.5153 -0.5153 4.9608 4.9608 4.9979 4.9979 6.2031 6.2031 6.2106 6.2106 8.3940 8.3940 8.4114 8.4114 10.5197 10.5197 10.5481 10.5481 k = 0.2948 0.6966 0.7420 ( 3316 PWs) bands (ev): -27.9336 -27.9336 -27.9336 -27.9336 -10.8285 -10.8285 -10.8262 -10.8262 -9.7941 -9.7941 -9.7329 -9.7329 -9.6390 -9.6390 -9.5778 -9.5778 -0.5274 -0.5274 -0.5153 -0.5153 4.9608 4.9608 4.9979 4.9979 6.2031 6.2031 6.2106 6.2106 8.3940 8.3940 8.4114 8.4114 10.5197 10.5197 10.5481 10.5481 k = 0.2872 0.6787 0.7420 ( 3312 PWs) bands (ev): -27.9336 -27.9336 -27.9336 -27.9336 -10.8284 -10.8284 -10.8259 -10.8259 -9.7934 -9.7934 -9.7308 -9.7308 -9.6417 -9.6417 -9.5796 -9.5796 -0.5319 -0.5319 -0.5204 -0.5204 4.9924 4.9924 5.0301 5.0301 6.1870 6.1870 6.1948 6.1948 8.3713 8.3713 8.3902 8.3902 10.5818 10.5818 10.6122 10.6122 k = 0.2797 0.6608 0.7420 ( 3304 PWs) bands (ev): -27.9336 -27.9336 -27.9336 -27.9336 -10.8283 -10.8283 -10.8255 -10.8255 -9.7925 -9.7925 -9.7287 -9.7287 -9.6443 -9.6443 -9.5814 -9.5814 -0.5363 -0.5363 -0.5254 -0.5254 5.0235 5.0235 5.0618 5.0618 6.1714 6.1714 6.1794 6.1794 8.3506 8.3506 8.3712 8.3712 10.6284 10.6284 10.6607 10.6607 k = 0.2721 0.6430 0.7420 ( 3308 PWs) bands (ev): -27.9335 -27.9335 -27.9335 -27.9335 -10.8282 -10.8282 -10.8251 -10.8251 -9.7915 -9.7915 -9.7267 -9.7267 -9.6468 -9.6468 -9.5833 -9.5833 -0.5405 -0.5405 -0.5302 -0.5302 5.0539 5.0539 5.0928 5.0928 6.1565 6.1565 6.1646 6.1646 8.3317 8.3317 8.3540 8.3540 10.6540 10.6540 10.6875 10.6875 k = 0.2645 0.6251 0.7420 ( 3312 PWs) bands (ev): -27.9335 -27.9335 -27.9335 -27.9335 -10.8281 -10.8281 -10.8246 -10.8246 -9.7904 -9.7904 -9.7246 -9.7246 -9.6492 -9.6492 -9.5851 -9.5851 -0.5446 -0.5446 -0.5349 -0.5349 5.0835 5.0835 5.1226 5.1226 6.1424 6.1424 6.1505 6.1505 8.3141 8.3141 8.3383 8.3383 10.6552 10.6552 10.6885 10.6885 k = 0.2570 0.6073 0.7420 ( 3304 PWs) bands (ev): -27.9335 -27.9335 -27.9335 -27.9335 -10.8279 -10.8279 -10.8242 -10.8242 -9.7892 -9.7892 -9.7226 -9.7226 -9.6514 -9.6514 -9.5870 -9.5870 -0.5484 -0.5484 -0.5394 -0.5394 5.1119 5.1119 5.1512 5.1512 6.1294 6.1294 6.1374 6.1374 8.2974 8.2974 8.3237 8.3237 10.6337 10.6337 10.6654 10.6654 k = 0.2494 0.5894 0.7420 ( 3300 PWs) bands (ev): -27.9335 -27.9335 -27.9335 -27.9335 -10.8277 -10.8277 -10.8237 -10.8237 -9.7879 -9.7879 -9.7205 -9.7205 -9.6535 -9.6535 -9.5889 -9.5889 -0.5520 -0.5520 -0.5436 -0.5436 5.1389 5.1389 5.1783 5.1783 6.1175 6.1175 6.1253 6.1253 8.2814 8.2814 8.3097 8.3097 10.5956 10.5956 10.6248 10.6248 k = 0.2419 0.5715 0.7420 ( 3292 PWs) bands (ev): -27.9335 -27.9335 -27.9335 -27.9335 -10.8274 -10.8274 -10.8232 -10.8232 -9.7865 -9.7865 -9.7186 -9.7186 -9.6555 -9.6555 -9.5908 -9.5908 -0.5553 -0.5553 -0.5477 -0.5477 5.1643 5.1643 5.2035 5.2035 6.1071 6.1071 6.1145 6.1145 8.2655 8.2655 8.2959 8.2959 10.5480 10.5480 10.5743 10.5743 k = 0.2343 0.5537 0.7420 ( 3296 PWs) bands (ev): -27.9335 -27.9335 -27.9335 -27.9335 -10.8272 -10.8272 -10.8226 -10.8226 -9.7849 -9.7849 -9.7167 -9.7167 -9.6573 -9.6573 -9.5927 -9.5927 -0.5584 -0.5584 -0.5515 -0.5515 5.1878 5.1878 5.2266 5.2266 6.0983 6.0983 6.1050 6.1050 8.2494 8.2494 8.2819 8.2819 10.4967 10.4967 10.5202 10.5202 k = 0.2267 0.5358 0.7420 ( 3292 PWs) bands (ev): -27.9336 -27.9336 -27.9336 -27.9336 -10.8268 -10.8268 -10.8221 -10.8221 -9.7833 -9.7833 -9.7148 -9.7148 -9.6590 -9.6590 -9.5946 -9.5946 -0.5612 -0.5612 -0.5550 -0.5550 5.2092 5.2092 5.2474 5.2474 6.0913 6.0913 6.0972 6.0972 8.2327 8.2327 8.2673 8.2673 10.4457 10.4457 10.4665 10.4665 k = 0.2192 0.5180 0.7420 ( 3298 PWs) bands (ev): -27.9336 -27.9336 -27.9336 -27.9336 -10.8265 -10.8265 -10.8215 -10.8215 -9.7815 -9.7815 -9.7131 -9.7131 -9.6604 -9.6604 -9.5965 -9.5965 -0.5638 -0.5638 -0.5583 -0.5583 5.2284 5.2284 5.2656 5.2656 6.0862 6.0862 6.0911 6.0911 8.2151 8.2151 8.2516 8.2516 10.3975 10.3975 10.4159 10.4159 k = 0.2116 0.5001 0.7420 ( 3302 PWs) bands (ev): -27.9336 -27.9336 -27.9336 -27.9336 -10.8261 -10.8261 -10.8209 -10.8209 -9.7796 -9.7796 -9.7115 -9.7115 -9.6617 -9.6617 -9.5983 -9.5983 -0.5661 -0.5661 -0.5614 -0.5614 5.2452 5.2452 5.2812 5.2812 6.0832 6.0832 6.0868 6.0868 8.1961 8.1961 8.2345 8.2345 10.3538 10.3538 10.3702 10.3702 k = 0.2041 0.4822 0.7420 ( 3294 PWs) bands (ev): -27.9336 -27.9336 -27.9336 -27.9336 -10.8257 -10.8257 -10.8203 -10.8203 -9.7777 -9.7777 -9.7100 -9.7100 -9.6627 -9.6627 -9.6002 -9.6002 -0.5681 -0.5681 -0.5641 -0.5641 5.2596 5.2596 5.2941 5.2941 6.0823 6.0823 6.0844 6.0844 8.1758 8.1758 8.2157 8.2157 10.3158 10.3158 10.3304 10.3304 k = 0.1965 0.4644 0.7420 ( 3290 PWs) bands (ev): -27.9337 -27.9337 -27.9337 -27.9337 -10.8253 -10.8253 -10.8197 -10.8197 -9.7757 -9.7757 -9.7087 -9.7087 -9.6635 -9.6635 -9.6020 -9.6020 -0.5699 -0.5699 -0.5666 -0.5666 5.2714 5.2714 5.3042 5.3042 6.0836 6.0836 6.0839 6.0839 8.1538 8.1538 8.1951 8.1951 10.2840 10.2840 10.2972 10.2972 k = 0.1890 0.4465 0.7420 ( 3290 PWs) bands (ev): -27.9337 -27.9337 -27.9337 -27.9337 -10.8248 -10.8248 -10.8191 -10.8191 -9.7736 -9.7736 -9.7076 -9.7076 -9.6640 -9.6640 -9.6039 -9.6039 -0.5714 -0.5714 -0.5688 -0.5688 5.2807 5.2807 5.3115 5.3115 6.0854 6.0854 6.0869 6.0869 8.1301 8.1301 8.1726 8.1726 10.2586 10.2586 10.2706 10.2706 k = 0.1814 0.4287 0.7420 ( 3294 PWs) bands (ev): -27.9337 -27.9337 -27.9337 -27.9337 -10.8243 -10.8243 -10.8185 -10.8185 -9.7714 -9.7714 -9.7067 -9.7067 -9.6643 -9.6643 -9.6057 -9.6057 -0.5727 -0.5727 -0.5707 -0.5707 5.2875 5.2875 5.3162 5.3162 6.0888 6.0888 6.0922 6.0922 8.1048 8.1048 8.1482 8.1482 10.2396 10.2396 10.2508 10.2508 k = 0.1738 0.4108 0.7420 ( 3298 PWs) bands (ev): -27.9338 -27.9338 -27.9338 -27.9338 -10.8238 -10.8238 -10.8179 -10.8179 -9.7692 -9.7692 -9.7061 -9.7061 -9.6643 -9.6643 -9.6074 -9.6074 -0.5738 -0.5738 -0.5724 -0.5724 5.2921 5.2921 5.3186 5.3186 6.0938 6.0938 6.0992 6.0992 8.0780 8.0780 8.1219 8.1219 10.2268 10.2268 10.2375 10.2375 k = 0.1663 0.3929 0.7420 ( 3298 PWs) bands (ev): -27.9338 -27.9338 -27.9338 -27.9338 -10.8232 -10.8232 -10.8173 -10.8173 -9.7669 -9.7669 -9.7056 -9.7056 -9.6640 -9.6640 -9.6091 -9.6091 -0.5747 -0.5747 -0.5738 -0.5738 5.2946 5.2946 5.3188 5.3188 6.1004 6.1004 6.1077 6.1077 8.0499 8.0499 8.0941 8.0941 10.2196 10.2196 10.2301 10.2301 k = 0.1587 0.3751 0.7420 ( 3294 PWs) bands (ev): -27.9339 -27.9339 -27.9339 -27.9339 -10.8226 -10.8226 -10.8167 -10.8167 -9.7646 -9.7646 -9.7054 -9.7054 -9.6635 -9.6635 -9.6108 -9.6108 -0.5753 -0.5753 -0.5750 -0.5750 5.2952 5.2952 5.3170 5.3170 6.1084 6.1084 6.1176 6.1176 8.0208 8.0208 8.0649 8.0649 10.2176 10.2176 10.2280 10.2280 k = 0.1512 0.3572 0.7420 ( 3294 PWs) bands (ev): -27.9339 -27.9339 -27.9339 -27.9339 -10.8220 -10.8220 -10.8161 -10.8161 -9.7622 -9.7622 -9.7053 -9.7053 -9.6627 -9.6627 -9.6125 -9.6125 -0.5760 -0.5760 -0.5758 -0.5758 5.2941 5.2941 5.3137 5.3137 6.1175 6.1175 6.1284 6.1284 7.9910 7.9910 8.0347 8.0347 10.2200 10.2200 10.2306 10.2306 k = 0.1436 0.3394 0.7420 ( 3294 PWs) bands (ev): -27.9340 -27.9340 -27.9340 -27.9340 -10.8214 -10.8214 -10.8155 -10.8155 -9.7599 -9.7599 -9.7055 -9.7055 -9.6617 -9.6617 -9.6141 -9.6141 -0.5768 -0.5768 -0.5762 -0.5762 5.2917 5.2917 5.3090 5.3090 6.1275 6.1275 6.1401 6.1401 7.9607 7.9607 8.0038 8.0038 10.2260 10.2260 10.2369 10.2369 k = 0.1360 0.3215 0.7420 ( 3294 PWs) bands (ev): -27.9340 -27.9340 -27.9340 -27.9340 -10.8208 -10.8208 -10.8150 -10.8150 -9.7575 -9.7575 -9.7058 -9.7058 -9.6606 -9.6606 -9.6157 -9.6157 -0.5774 -0.5774 -0.5764 -0.5764 5.2881 5.2881 5.3033 5.3033 6.1383 6.1383 6.1522 6.1522 7.9304 7.9304 7.9726 7.9726 10.2348 10.2348 10.2461 10.2461 k = 0.1285 0.3036 0.7420 ( 3290 PWs) bands (ev): -27.9341 -27.9341 -27.9341 -27.9341 -10.8201 -10.8201 -10.8144 -10.8144 -9.7551 -9.7551 -9.7062 -9.7062 -9.6594 -9.6594 -9.6172 -9.6172 -0.5778 -0.5778 -0.5764 -0.5764 5.2835 5.2835 5.2967 5.2967 6.1495 6.1495 6.1646 6.1646 7.9003 7.9003 7.9414 7.9414 10.2455 10.2455 10.2572 10.2572 k = 0.1209 0.2858 0.7420 ( 3294 PWs) bands (ev): -27.9342 -27.9342 -27.9342 -27.9342 -10.8195 -10.8195 -10.8139 -10.8139 -9.7527 -9.7527 -9.7068 -9.7068 -9.6580 -9.6580 -9.6186 -9.6186 -0.5781 -0.5781 -0.5764 -0.5764 5.2783 5.2783 5.2897 5.2897 6.1611 6.1611 6.1771 6.1771 7.8707 7.8707 7.9105 7.9105 10.2572 10.2572 10.2694 10.2694 k = 0.1134 0.2679 0.7420 ( 3302 PWs) bands (ev): -27.9342 -27.9342 -27.9342 -27.9342 -10.8189 -10.8189 -10.8135 -10.8135 -9.7504 -9.7504 -9.7074 -9.7074 -9.6566 -9.6566 -9.6201 -9.6201 -0.5783 -0.5783 -0.5763 -0.5763 5.2726 5.2726 5.2822 5.2822 6.1727 6.1727 6.1894 6.1894 7.8420 7.8420 7.8802 7.8802 10.2692 10.2692 10.2818 10.2818 k = 0.1058 0.2500 0.7420 ( 3304 PWs) bands (ev): -27.9343 -27.9343 -27.9343 -27.9343 -10.8182 -10.8182 -10.8130 -10.8130 -9.7481 -9.7481 -9.7081 -9.7081 -9.6551 -9.6551 -9.6214 -9.6214 -0.5783 -0.5783 -0.5762 -0.5762 5.2665 5.2665 5.2747 5.2747 6.1844 6.1844 6.2015 6.2015 7.8143 7.8143 7.8509 7.8509 10.2807 10.2807 10.2936 10.2936 k = 0.0983 0.2322 0.7420 ( 3304 PWs) bands (ev): -27.9343 -27.9343 -27.9343 -27.9343 -10.8176 -10.8176 -10.8126 -10.8126 -9.7458 -9.7458 -9.7089 -9.7089 -9.6536 -9.6536 -9.6227 -9.6227 -0.5782 -0.5782 -0.5759 -0.5759 5.2604 5.2604 5.2671 5.2671 6.1958 6.1958 6.2131 6.2131 7.7880 7.7880 7.8227 7.8227 10.2912 10.2912 10.3041 10.3041 k = 0.0907 0.2143 0.7420 ( 3308 PWs) bands (ev): -27.9344 -27.9344 -27.9344 -27.9344 -10.8170 -10.8170 -10.8123 -10.8123 -9.7436 -9.7436 -9.7097 -9.7097 -9.6521 -9.6521 -9.6240 -9.6240 -0.5781 -0.5781 -0.5757 -0.5757 5.2542 5.2542 5.2597 5.2597 6.2069 6.2069 6.2241 6.2241 7.7631 7.7631 7.7958 7.7958 10.3002 10.3002 10.3129 10.3129 k = 0.0831 0.1965 0.7420 ( 3308 PWs) bands (ev): -27.9344 -27.9344 -27.9344 -27.9344 -10.8164 -10.8164 -10.8119 -10.8119 -9.7414 -9.7414 -9.7105 -9.7105 -9.6506 -9.6506 -9.6252 -9.6252 -0.5778 -0.5778 -0.5755 -0.5755 5.2482 5.2482 5.2526 5.2526 6.2176 6.2176 6.2344 6.2344 7.7400 7.7400 7.7705 7.7705 10.3073 10.3073 10.3198 10.3198 k = 0.0756 0.1786 0.7420 ( 3312 PWs) bands (ev): -27.9345 -27.9345 -27.9345 -27.9345 -10.8158 -10.8158 -10.8117 -10.8117 -9.7393 -9.7393 -9.7114 -9.7114 -9.6492 -9.6492 -9.6264 -9.6264 -0.5775 -0.5775 -0.5752 -0.5752 5.2424 5.2424 5.2459 5.2459 6.2277 6.2277 6.2440 6.2440 7.7186 7.7186 7.7469 7.7469 10.3126 10.3126 10.3245 10.3245 k = 0.0680 0.1607 0.7420 ( 3316 PWs) bands (ev): -27.9345 -27.9345 -27.9345 -27.9345 -10.8152 -10.8152 -10.8114 -10.8114 -9.7372 -9.7372 -9.7123 -9.7123 -9.6477 -9.6477 -9.6275 -9.6275 -0.5772 -0.5772 -0.5750 -0.5750 5.2369 5.2369 5.2397 5.2397 6.2372 6.2372 6.2526 6.2526 7.6992 7.6992 7.7250 7.7250 10.3160 10.3160 10.3271 10.3271 k = 0.0605 0.1429 0.7420 ( 3320 PWs) bands (ev): -27.9345 -27.9345 -27.9345 -27.9345 -10.8146 -10.8146 -10.8112 -10.8112 -9.7353 -9.7353 -9.7133 -9.7133 -9.6463 -9.6463 -9.6286 -9.6286 -0.5769 -0.5769 -0.5747 -0.5747 5.2319 5.2319 5.2339 5.2339 6.2461 6.2461 6.2604 6.2604 7.6818 7.6818 7.7051 7.7051 10.3176 10.3176 10.3279 10.3279 k = 0.0529 0.1250 0.7420 ( 3320 PWs) bands (ev): -27.9346 -27.9346 -27.9346 -27.9346 -10.8141 -10.8141 -10.8111 -10.8111 -9.7334 -9.7334 -9.7143 -9.7143 -9.6450 -9.6450 -9.6297 -9.6297 -0.5765 -0.5765 -0.5746 -0.5746 5.2273 5.2273 5.2288 5.2288 6.2542 6.2542 6.2672 6.2672 7.6665 7.6665 7.6871 7.6871 10.3179 10.3179 10.3271 10.3271 k = 0.0453 0.1072 0.7420 ( 3324 PWs) bands (ev): -27.9346 -27.9346 -27.9346 -27.9346 -10.8136 -10.8136 -10.8110 -10.8110 -9.7316 -9.7316 -9.7153 -9.7153 -9.6437 -9.6437 -9.6307 -9.6307 -0.5762 -0.5762 -0.5744 -0.5744 5.2232 5.2232 5.2243 5.2243 6.2614 6.2614 6.2730 6.2730 7.6534 7.6534 7.6713 7.6713 10.3172 10.3172 10.3252 10.3252 k = 0.0378 0.0893 0.7420 ( 3320 PWs) bands (ev): -27.9346 -27.9346 -27.9346 -27.9346 -10.8132 -10.8132 -10.8110 -10.8110 -9.7298 -9.7298 -9.7163 -9.7163 -9.6424 -9.6424 -9.6317 -9.6317 -0.5758 -0.5758 -0.5743 -0.5743 5.2197 5.2197 5.2204 5.2205 6.2678 6.2678 6.2778 6.2778 7.6425 7.6425 7.6575 7.6575 10.3159 10.3159 10.3226 10.3226 k = 0.0302 0.0714 0.7420 ( 3316 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8128 -10.8128 -10.8110 -10.8110 -9.7282 -9.7282 -9.7174 -9.7174 -9.6412 -9.6412 -9.6327 -9.6327 -0.5755 -0.5755 -0.5742 -0.5742 5.2168 5.2168 5.2173 5.2173 6.2734 6.2734 6.2815 6.2815 7.6338 7.6338 7.6459 7.6459 10.3143 10.3143 10.3197 10.3197 k = 0.0227 0.0536 0.7420 ( 3312 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8124 -10.8124 -10.8110 -10.8110 -9.7266 -9.7266 -9.7186 -9.7186 -9.6400 -9.6400 -9.6337 -9.6337 -0.5752 -0.5752 -0.5742 -0.5742 5.2145 5.2145 5.2148 5.2148 6.2779 6.2779 6.2841 6.2841 7.6273 7.6273 7.6365 7.6365 10.3128 10.3128 10.3169 10.3169 k = 0.0151 0.0357 0.7420 ( 3312 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8121 -10.8121 -10.8111 -10.8111 -9.7251 -9.7251 -9.7198 -9.7198 -9.6389 -9.6389 -9.6347 -9.6347 -0.5749 -0.5749 -0.5743 -0.5743 5.2128 5.2128 5.2130 5.2130 6.2815 6.2815 6.2857 6.2857 7.6232 7.6232 7.6293 7.6293 10.3117 10.3117 10.3144 10.3144 k = 0.0076 0.0179 0.7420 ( 3316 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8118 -10.8118 -10.8113 -10.8113 -9.7237 -9.7237 -9.7210 -9.7210 -9.6378 -9.6378 -9.6357 -9.6357 -0.5747 -0.5747 -0.5744 -0.5744 5.2119 5.2119 5.2119 5.2119 6.2841 6.2841 6.2862 6.2862 7.6213 7.6213 7.6244 7.6244 10.3112 10.3112 10.3126 10.3126 k = 0.0000 0.0000 0.7420 ( 3320 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8115 -10.8115 -10.8115 -10.8115 -9.7223 -9.7223 -9.7223 -9.7223 -9.6367 -9.6367 -9.6367 -9.6367 -0.5745 -0.5745 -0.5745 -0.5745 5.2116 5.2116 5.2116 5.2116 6.2857 6.2857 6.2857 6.2857 7.6217 7.6217 7.6217 7.6217 10.3115 10.3115 10.3115 10.3115 k = 0.0000 0.0000 0.7420 ( 3320 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8115 -10.8115 -10.8115 -10.8115 -9.7223 -9.7223 -9.7223 -9.7223 -9.6367 -9.6367 -9.6367 -9.6367 -0.5745 -0.5745 -0.5745 -0.5745 5.2116 5.2116 5.2116 5.2116 6.2857 6.2857 6.2857 6.2857 7.6217 7.6217 7.6217 7.6217 10.3115 10.3115 10.3115 10.3115 k = 0.0000 0.0000 0.7225 ( 3312 PWs) bands (ev): -27.9357 -27.9357 -27.9338 -27.9338 -10.8149 -10.8149 -10.8079 -10.8079 -9.7265 -9.7265 -9.7180 -9.7180 -9.6388 -9.6388 -9.6345 -9.6345 -0.6682 -0.6682 -0.4797 -0.4797 5.1344 5.1344 5.2904 5.2904 6.2465 6.2465 6.3270 6.3270 7.5636 7.5636 7.6824 7.6824 10.2597 10.2597 10.3609 10.3609 k = 0.0000 0.0000 0.7030 ( 3316 PWs) bands (ev): -27.9367 -27.9367 -27.9328 -27.9328 -10.8182 -10.8182 -10.8043 -10.8043 -9.7307 -9.7307 -9.7136 -9.7136 -9.6406 -9.6406 -9.6320 -9.6320 -0.7606 -0.7606 -0.3840 -0.3840 5.0596 5.0596 5.3704 5.3704 6.2094 6.2094 6.3703 6.3703 7.5088 7.5088 7.7453 7.7453 10.2062 10.2062 10.4071 10.4071 k = 0.0000 0.0000 0.6834 ( 3316 PWs) bands (ev): -27.9377 -27.9377 -27.9319 -27.9319 -10.8214 -10.8214 -10.8004 -10.8004 -9.7347 -9.7347 -9.7092 -9.7092 -9.6421 -9.6421 -9.6293 -9.6293 -0.8516 -0.8516 -0.2875 -0.2875 4.9876 4.9876 5.4507 5.4507 6.1744 6.1744 6.4159 6.4159 7.4577 7.4577 7.8100 7.8100 10.1515 10.1515 10.4490 10.4490 k = 0.0000 0.0000 0.6639 ( 3320 PWs) bands (ev): -27.9387 -27.9387 -27.9311 -27.9311 -10.8244 -10.8244 -10.7965 -10.7965 -9.7386 -9.7386 -9.7049 -9.7049 -9.6433 -9.6433 -9.6265 -9.6265 -0.9411 -0.9411 -0.1905 -0.1905 4.9188 4.9188 5.5304 5.5304 6.1413 6.1413 6.4635 6.4635 7.4112 7.4112 7.8763 7.8763 10.0962 10.0962 10.4853 10.4853 k = 0.0000 0.0000 0.6444 ( 3316 PWs) bands (ev): -27.9398 -27.9398 -27.9302 -27.9302 -10.8273 -10.8273 -10.7925 -10.7925 -9.7423 -9.7423 -9.7008 -9.7008 -9.6439 -9.6439 -9.6236 -9.6236 -1.0290 -1.0290 -0.0933 -0.0933 4.8538 4.8538 5.6083 5.6083 6.1103 6.1103 6.5134 6.5134 7.3705 7.3705 7.9440 7.9440 10.0405 10.0405 10.5143 10.5143 k = 0.0000 0.0000 0.6249 ( 3316 PWs) bands (ev): -27.9409 -27.9409 -27.9294 -27.9294 -10.8301 -10.8301 -10.7884 -10.7884 -9.7459 -9.7459 -9.6969 -9.6969 -9.6440 -9.6440 -9.6206 -9.6206 -1.1150 -1.1150 0.0040 0.0040 4.7928 4.7928 5.6830 5.6830 6.0813 6.0813 6.5654 6.5654 7.3367 7.3367 8.0127 8.0127 9.9848 9.9848 10.5341 10.5341 k = 0.0000 0.0000 0.6053 ( 3322 PWs) bands (ev): -27.9419 -27.9419 -27.9287 -27.9287 -10.8327 -10.8327 -10.7842 -10.7842 -9.7494 -9.7494 -9.6933 -9.6933 -9.6435 -9.6435 -9.6174 -9.6174 -1.1993 -1.1993 0.1010 0.1010 4.7364 4.7364 5.7527 5.7527 6.0544 6.0544 6.6196 6.6196 7.3114 7.3114 8.0824 8.0824 9.9294 9.9294 10.5426 10.5426 k = 0.0000 0.0000 0.5858 ( 3316 PWs) bands (ev): -27.9430 -27.9430 -27.9279 -27.9279 -10.8352 -10.8352 -10.7800 -10.7800 -9.7528 -9.7528 -9.6901 -9.6901 -9.6423 -9.6423 -9.6141 -9.6141 -1.2815 -1.2815 0.1975 0.1975 4.6849 4.6849 5.8155 5.8155 6.0298 6.0298 6.6759 6.6759 7.2964 7.2964 8.1527 8.1527 9.8743 9.8743 10.5378 10.5378 k = 0.0000 0.0000 0.5663 ( 3318 PWs) bands (ev): -27.9441 -27.9441 -27.9272 -27.9272 -10.8375 -10.8375 -10.7756 -10.7756 -9.7560 -9.7560 -9.6874 -9.6874 -9.6405 -9.6405 -9.6107 -9.6107 -1.3618 -1.3618 0.2929 0.2929 4.6387 4.6387 5.8685 5.8685 6.0082 6.0082 6.7344 6.7344 7.2936 7.2936 8.2234 8.2234 9.8200 9.8200 10.5182 10.5182 k = 0.0000 0.0000 0.5467 ( 3318 PWs) bands (ev): -27.9452 -27.9452 -27.9266 -27.9266 -10.8397 -10.8397 -10.7713 -10.7713 -9.7591 -9.7591 -9.6852 -9.6852 -9.6379 -9.6379 -9.6071 -9.6071 -1.4400 -1.4400 0.3871 0.3871 4.5983 4.5983 5.9077 5.9077 5.9921 5.9921 6.7949 6.7949 7.3047 7.3047 8.2944 8.2944 9.7664 9.7664 10.4831 10.4831 k = 0.0000 0.0000 0.5272 ( 3312 PWs) bands (ev): -27.9463 -27.9463 -27.9259 -27.9259 -10.8418 -10.8418 -10.7669 -10.7669 -9.7621 -9.7621 -9.6833 -9.6833 -9.6348 -9.6348 -9.6033 -9.6033 -1.5159 -1.5159 0.4796 0.4796 4.5642 4.5642 5.9250 5.9250 5.9878 5.9878 6.8574 6.8574 7.3312 7.3312 8.3652 8.3652 9.7139 9.7139 10.4331 10.4331 k = 0.0000 0.0000 0.5077 ( 3310 PWs) bands (ev): -27.9474 -27.9474 -27.9253 -27.9253 -10.8438 -10.8438 -10.7625 -10.7625 -9.7650 -9.7650 -9.6818 -9.6818 -9.6312 -9.6312 -9.5992 -9.5992 -1.5897 -1.5897 0.5699 0.5699 4.5367 4.5367 5.9204 5.9204 5.9950 5.9950 6.9219 6.9219 7.3734 7.3734 8.4354 8.4354 9.6625 9.6625 10.3700 10.3700 k = 0.0000 0.0000 0.4882 ( 3310 PWs) bands (ev): -27.9485 -27.9485 -27.9247 -27.9247 -10.8457 -10.8457 -10.7582 -10.7582 -9.7678 -9.7678 -9.6805 -9.6805 -9.6274 -9.6274 -9.5949 -9.5949 -1.6611 -1.6611 0.6575 0.6575 4.5163 4.5163 5.9073 5.9073 6.0002 6.0002 6.9883 6.9883 7.4312 7.4312 8.5046 8.5046 9.6125 9.6125 10.2966 10.2966 k = 0.0000 0.0000 0.4686 ( 3314 PWs) bands (ev): -27.9496 -27.9496 -27.9242 -27.9242 -10.8474 -10.8474 -10.7538 -10.7538 -9.7705 -9.7705 -9.6793 -9.6793 -9.6236 -9.6236 -9.5903 -9.5903 -1.7302 -1.7302 0.7422 0.7422 4.5036 4.5036 5.8925 5.8925 5.9978 5.9978 7.0565 7.0565 7.5034 7.5034 8.5720 8.5720 9.5641 9.5641 10.2160 10.2160 k = 0.0000 0.0000 0.4491 ( 3314 PWs) bands (ev): -27.9507 -27.9507 -27.9237 -27.9237 -10.8491 -10.8491 -10.7495 -10.7495 -9.7731 -9.7731 -9.6781 -9.6781 -9.6197 -9.6197 -9.5854 -9.5854 -1.7969 -1.7969 0.8233 0.8233 4.4988 4.4988 5.8778 5.8778 5.9873 5.9873 7.1266 7.1266 7.5884 7.5884 8.6366 8.6366 9.5175 9.5175 10.1317 10.1317 k = 0.0000 0.0000 0.4296 ( 3306 PWs) bands (ev): -27.9517 -27.9517 -27.9232 -27.9232 -10.8506 -10.8506 -10.7452 -10.7452 -9.7757 -9.7757 -9.6770 -9.6770 -9.6161 -9.6161 -9.5802 -9.5802 -1.8612 -1.8612 0.9005 0.9005 4.5026 4.5026 5.8637 5.8637 5.9699 5.9699 7.1984 7.1984 7.6843 7.6843 8.6971 8.6971 9.4730 9.4730 10.0468 10.0468 k = 0.0000 0.0000 0.4101 ( 3318 PWs) bands (ev): -27.9528 -27.9528 -27.9228 -27.9228 -10.8521 -10.8521 -10.7411 -10.7411 -9.7782 -9.7782 -9.6757 -9.6757 -9.6126 -9.6126 -9.5746 -9.5746 -1.9229 -1.9229 0.9732 0.9732 4.5151 4.5151 5.8503 5.8503 5.9472 5.9472 7.2718 7.2718 7.7892 7.7892 8.7514 8.7514 9.4309 9.4309 9.9648 9.9648 k = 0.0000 0.0000 0.3905 ( 3320 PWs) bands (ev): -27.9538 -27.9538 -27.9223 -27.9223 -10.8535 -10.8535 -10.7370 -10.7370 -9.7806 -9.7806 -9.6744 -9.6744 -9.6093 -9.6093 -9.5688 -9.5688 -1.9821 -1.9821 1.0413 1.0413 4.5367 4.5367 5.8374 5.8374 5.9206 5.9206 7.3466 7.3466 7.9014 7.9014 8.7968 8.7968 9.3917 9.3917 9.8896 9.8896 k = 0.0000 0.0000 0.3710 ( 3304 PWs) bands (ev): -27.9548 -27.9548 -27.9219 -27.9219 -10.8548 -10.8548 -10.7330 -10.7330 -9.7829 -9.7829 -9.6729 -9.6729 -9.6063 -9.6063 -9.5628 -9.5628 -2.0387 -2.0387 1.1044 1.1044 4.5677 4.5677 5.8249 5.8249 5.8916 5.8916 7.4228 7.4228 8.0191 8.0191 8.8297 8.8297 9.3561 9.3561 9.8255 9.8255 k = 0.0000 0.0000 0.3515 ( 3304 PWs) bands (ev): -27.9557 -27.9557 -27.9216 -27.9216 -10.8560 -10.8560 -10.7291 -10.7291 -9.7852 -9.7852 -9.6714 -9.6714 -9.6036 -9.6036 -9.5567 -9.5567 -2.0927 -2.0927 1.1622 1.1622 4.6082 4.6082 5.8119 5.8119 5.8621 5.8621 7.5001 7.5001 8.1404 8.1404 8.8458 8.8458 9.3250 9.3250 9.7772 9.7772 k = 0.0000 0.0000 0.3320 ( 3300 PWs) bands (ev): -27.9567 -27.9567 -27.9212 -27.9212 -10.8571 -10.8571 -10.7253 -10.7253 -9.7874 -9.7874 -9.6698 -9.6698 -9.6011 -9.6011 -9.5505 -9.5505 -2.1440 -2.1440 1.2147 1.2147 4.6580 4.6580 5.7959 5.7959 5.8353 5.8353 7.5783 7.5783 8.2631 8.2631 8.8413 8.8413 9.2998 9.2998 9.7484 9.7484 k = 0.0000 0.0000 0.3124 ( 3288 PWs) bands (ev): -27.9575 -27.9575 -27.9209 -27.9209 -10.8582 -10.8582 -10.7217 -10.7217 -9.7895 -9.7895 -9.6680 -9.6680 -9.5987 -9.5987 -9.5443 -9.5443 -2.1925 -2.1925 1.2619 1.2619 4.7172 4.7172 5.7732 5.7732 5.8155 5.8155 7.6570 7.6570 8.3845 8.3845 8.8144 8.8144 9.2829 9.2829 9.7410 9.7410 k = 0.0000 0.0000 0.2929 ( 3270 PWs) bands (ev): -27.9584 -27.9584 -27.9206 -27.9206 -10.8592 -10.8592 -10.7183 -10.7183 -9.7916 -9.7916 -9.6663 -9.6663 -9.5966 -9.5966 -9.5382 -9.5382 -2.2384 -2.2384 1.3038 1.3038 4.7855 4.7855 5.7445 5.7445 5.8027 5.8027 7.7361 7.7361 8.5004 8.5004 8.7663 8.7663 9.2779 9.2779 9.7533 9.7533 k = 0.0000 0.0000 0.2734 ( 3266 PWs) bands (ev): -27.9592 -27.9592 -27.9204 -27.9204 -10.8601 -10.8601 -10.7150 -10.7150 -9.7935 -9.7935 -9.6644 -9.6644 -9.5947 -9.5947 -9.5321 -9.5321 -2.2814 -2.2814 1.3407 1.3407 4.8624 4.8624 5.7137 5.7137 5.7934 5.7934 7.8151 7.8151 8.6045 8.6045 8.7003 8.7003 9.2904 9.2904 9.7815 9.7815 k = 0.0000 0.0000 0.2538 ( 3270 PWs) bands (ev): -27.9600 -27.9600 -27.9202 -27.9202 -10.8609 -10.8609 -10.7119 -10.7119 -9.7953 -9.7953 -9.6625 -9.6625 -9.5929 -9.5929 -9.5263 -9.5263 -2.3217 -2.3217 1.3728 1.3728 4.9475 4.9475 5.6828 5.6828 5.7859 5.7859 7.8936 7.8936 8.6198 8.6198 8.6902 8.6902 9.3278 9.3278 9.8209 9.8209 k = 0.0000 0.0000 0.2343 ( 3278 PWs) bands (ev): -27.9607 -27.9607 -27.9199 -27.9199 -10.8617 -10.8617 -10.7090 -10.7090 -9.7971 -9.7971 -9.6607 -9.6607 -9.5913 -9.5913 -9.5206 -9.5206 -2.3590 -2.3590 1.4005 1.4005 5.0400 5.0400 5.6528 5.6528 5.7795 5.7795 7.9710 7.9710 8.5293 8.5293 8.7504 8.7504 9.3954 9.3954 9.8672 9.8672 k = 0.0000 0.0000 0.2148 ( 3278 PWs) bands (ev): -27.9614 -27.9614 -27.9197 -27.9197 -10.8625 -10.8625 -10.7063 -10.7063 -9.7987 -9.7987 -9.6588 -9.6588 -9.5899 -9.5899 -9.5153 -9.5153 -2.3936 -2.3936 1.4240 1.4240 5.1391 5.1391 5.6242 5.6242 5.7740 5.7740 8.0467 8.0467 8.4308 8.4308 8.7863 8.7863 9.4928 9.4928 9.9166 9.9166 k = 0.0000 0.0000 0.1953 ( 3280 PWs) bands (ev): -27.9620 -27.9620 -27.9196 -27.9196 -10.8631 -10.8631 -10.7038 -10.7038 -9.8002 -9.8002 -9.6570 -9.6570 -9.5886 -9.5886 -9.5102 -9.5102 -2.4252 -2.4252 1.4439 1.4439 5.2439 5.2439 5.5976 5.5976 5.7693 5.7693 8.1190 8.1190 8.3272 8.3272 8.8034 8.8034 9.6139 9.6139 9.9656 9.9656 k = 0.0000 0.0000 0.1757 ( 3282 PWs) bands (ev): -27.9626 -27.9626 -27.9194 -27.9194 -10.8637 -10.8637 -10.7015 -10.7015 -9.8016 -9.8016 -9.6553 -9.6553 -9.5875 -9.5875 -9.5055 -9.5055 -2.4538 -2.4538 1.4605 1.4605 5.3528 5.3528 5.5737 5.5737 5.7653 5.7653 8.1733 8.1733 8.2339 8.2339 8.8086 8.8086 9.7513 9.7513 10.0097 10.0097 k = 0.0000 0.0000 0.1562 ( 3284 PWs) bands (ev): -27.9631 -27.9631 -27.9193 -27.9193 -10.8643 -10.8643 -10.6995 -10.6995 -9.8029 -9.8029 -9.6537 -9.6537 -9.5865 -9.5865 -9.5012 -9.5012 -2.4796 -2.4796 1.4741 1.4741 5.4615 5.4615 5.5555 5.5555 5.7622 5.7622 8.0936 8.0936 8.2675 8.2675 8.8071 8.8071 9.8982 9.8982 10.0425 10.0425 k = 0.0000 0.0000 0.1367 ( 3292 PWs) bands (ev): -27.9636 -27.9636 -27.9192 -27.9192 -10.8647 -10.8647 -10.6977 -10.6977 -9.8040 -9.8040 -9.6522 -9.6522 -9.5856 -9.5856 -9.4973 -9.4973 -2.5023 -2.5023 1.4853 1.4853 5.5167 5.5167 5.5945 5.5945 5.7602 5.7602 7.9800 7.9800 8.3283 8.3283 8.8020 8.8020 10.0205 10.0205 10.0819 10.0819 k = 0.0000 0.0000 0.1172 ( 3292 PWs) bands (ev): -27.9640 -27.9640 -27.9191 -27.9191 -10.8652 -10.8652 -10.6961 -10.6961 -9.8050 -9.8050 -9.6508 -9.6508 -9.5848 -9.5848 -9.4939 -9.4939 -2.5221 -2.5221 1.4942 1.4942 5.5052 5.5052 5.6984 5.6984 5.7634 5.7634 7.8644 7.8644 8.3855 8.3855 8.7955 8.7955 10.0100 10.0100 10.2287 10.2287 k = 0.0000 0.0000 0.0976 ( 3295 PWs) bands (ev): -27.9644 -27.9644 -27.9190 -27.9190 -10.8655 -10.8655 -10.6947 -10.6947 -9.8058 -9.8058 -9.6496 -9.6496 -9.5842 -9.5842 -9.4909 -9.4909 -2.5388 -2.5388 1.5012 1.5012 5.4910 5.4910 5.7456 5.7456 5.8267 5.8267 7.7506 7.7506 8.4366 8.4366 8.7887 8.7887 9.9693 9.9693 10.3025 10.3025 k = 0.0000 0.0000 0.0781 ( 3303 PWs) bands (ev): -27.9647 -27.9647 -27.9189 -27.9189 -10.8658 -10.8658 -10.6936 -10.6936 -9.8065 -9.8065 -9.6486 -9.6486 -9.5837 -9.5837 -9.4885 -9.4885 -2.5525 -2.5525 1.5066 1.5066 5.4787 5.4787 5.7477 5.7477 5.9305 5.9305 7.6424 7.6424 8.4804 8.4804 8.7824 8.7824 9.9268 9.9268 10.3267 10.3267 k = 0.0000 0.0000 0.0586 ( 3307 PWs) bands (ev): -27.9649 -27.9649 -27.9189 -27.9189 -10.8660 -10.8660 -10.6927 -10.6927 -9.8071 -9.8071 -9.6479 -9.6479 -9.5833 -9.5833 -9.4866 -9.4866 -2.5632 -2.5632 1.5106 1.5106 5.4689 5.4689 5.7473 5.7473 6.0266 6.0266 7.5449 7.5449 8.5157 8.5157 8.7771 8.7771 9.8905 9.8905 10.3494 10.3494 k = 0.0000 0.0000 0.0391 ( 3309 PWs) bands (ev): -27.9650 -27.9650 -27.9188 -27.9188 -10.8662 -10.8662 -10.6921 -10.6921 -9.8075 -9.8075 -9.6473 -9.6473 -9.5831 -9.5831 -9.4852 -9.4852 -2.5709 -2.5709 1.5133 1.5133 5.4619 5.4619 5.7467 5.7467 6.1058 6.1058 7.4650 7.4650 8.5417 8.5417 8.7731 8.7731 9.8634 9.8634 10.3672 10.3672 k = 0.0000 0.0000 0.0195 ( 3305 PWs) bands (ev): -27.9651 -27.9651 -27.9188 -27.9188 -10.8663 -10.8663 -10.6917 -10.6917 -9.8077 -9.8077 -9.6469 -9.6469 -9.5829 -9.5829 -9.4844 -9.4844 -2.5755 -2.5755 1.5149 1.5149 5.4576 5.4576 5.7463 5.7463 6.1589 6.1589 7.4115 7.4115 8.5576 8.5576 8.7707 8.7707 9.8468 9.8468 10.3785 10.3785 k = 0.0000 0.0000 0.0000 ( 3299 PWs) bands (ev): -27.9652 -27.9652 -27.9188 -27.9188 -10.8663 -10.8663 -10.6916 -10.6916 -9.8078 -9.8078 -9.6468 -9.6468 -9.5828 -9.5828 -9.4841 -9.4841 -2.5770 -2.5770 1.5154 1.5154 5.4562 5.4562 5.7462 5.7462 6.1778 6.1778 7.3925 7.3925 8.5630 8.5630 8.7699 8.7699 9.8412 9.8412 10.3824 10.3824 k = 0.0000 0.0000 0.0000 ( 3299 PWs) bands (ev): -27.9652 -27.9652 -27.9188 -27.9188 -10.8663 -10.8663 -10.6916 -10.6916 -9.8078 -9.8078 -9.6468 -9.6468 -9.5828 -9.5828 -9.4841 -9.4841 -2.5770 -2.5770 1.5154 1.5154 5.4562 5.4562 5.7462 5.7462 6.1778 6.1778 7.3925 7.3925 8.5630 8.5630 8.7699 8.7699 9.8412 9.8412 10.3824 10.3824 k =-0.0179 0.0076 0.0000 ( 3303 PWs) bands (ev): -27.9651 -27.9651 -27.9188 -27.9188 -10.8662 -10.8662 -10.6918 -10.6918 -9.8076 -9.8076 -9.6468 -9.6468 -9.5829 -9.5829 -9.4843 -9.4843 -2.5763 -2.5763 1.5143 1.5143 5.4588 5.4588 5.7466 5.7466 6.1775 6.1775 7.3934 7.3934 8.5643 8.5643 8.7655 8.7655 9.8373 9.8373 10.3807 10.3807 k =-0.0357 0.0151 0.0000 ( 3301 PWs) bands (ev): -27.9650 -27.9650 -27.9189 -27.9189 -10.8658 -10.8658 -10.6922 -10.6922 -9.8071 -9.8071 -9.6468 -9.6468 -9.5830 -9.5830 -9.4849 -9.4849 -2.5744 -2.5744 1.5108 1.5108 5.4665 5.4665 5.7480 5.7480 6.1767 6.1767 7.3961 7.3961 8.5683 8.5683 8.7526 8.7526 9.8258 9.8258 10.3759 10.3759 k =-0.0536 0.0227 0.0000 ( 3297 PWs) bands (ev): -27.9649 -27.9649 -27.9191 -27.9191 -10.8652 -10.8652 -10.6929 -10.6929 -9.8063 -9.8063 -9.6468 -9.6468 -9.5832 -9.5832 -9.4858 -9.4858 -2.5712 -2.5712 1.5050 1.5050 5.4793 5.4793 5.7502 5.7502 6.1753 6.1753 7.4004 7.4004 8.5749 8.5749 8.7319 8.7319 9.8068 9.8068 10.3686 10.3686 k =-0.0714 0.0302 0.0000 ( 3293 PWs) bands (ev): -27.9646 -27.9646 -27.9193 -27.9193 -10.8643 -10.8643 -10.6939 -10.6939 -9.8052 -9.8052 -9.6467 -9.6467 -9.5835 -9.5835 -9.4872 -9.4872 -2.5668 -2.5668 1.4971 1.4971 5.4971 5.4971 5.7533 5.7533 6.1734 6.1734 7.4060 7.4060 8.5840 8.5840 8.7041 8.7041 9.7806 9.7806 10.3596 10.3596 k =-0.0893 0.0378 0.0000 ( 3289 PWs) bands (ev): -27.9643 -27.9643 -27.9196 -27.9196 -10.8632 -10.8632 -10.6952 -10.6952 -9.8038 -9.8038 -9.6467 -9.6467 -9.5838 -9.5838 -9.4889 -9.4889 -2.5611 -2.5611 1.4872 1.4872 5.5197 5.5197 5.7572 5.7572 6.1710 6.1710 7.4126 7.4126 8.5956 8.5956 8.6707 8.6707 9.7476 9.7476 10.3497 10.3497 k =-0.1071 0.0453 0.0000 ( 3281 PWs) bands (ev): -27.9640 -27.9640 -27.9200 -27.9200 -10.8619 -10.8619 -10.6968 -10.6968 -9.8020 -9.8020 -9.6467 -9.6467 -9.5842 -9.5842 -9.4910 -9.4910 -2.5544 -2.5544 1.4754 1.4754 5.5470 5.5470 5.7620 5.7620 6.1682 6.1682 7.4196 7.4196 8.6079 8.6079 8.6347 8.6347 9.7088 9.7088 10.3400 10.3400 k =-0.1250 0.0529 0.0000 ( 3277 PWs) bands (ev): -27.9636 -27.9636 -27.9204 -27.9204 -10.8603 -10.8603 -10.6986 -10.6986 -9.8000 -9.8000 -9.6468 -9.6468 -9.5846 -9.5846 -9.4934 -9.4934 -2.5466 -2.5466 1.4618 1.4618 5.5787 5.5787 5.7674 5.7674 6.1649 6.1649 7.4264 7.4264 8.5875 8.5875 8.6308 8.6308 9.6650 9.6650 10.3310 10.3310 k =-0.1429 0.0605 0.0000 ( 3281 PWs) bands (ev): -27.9631 -27.9631 -27.9209 -27.9209 -10.8584 -10.8584 -10.7007 -10.7007 -9.7976 -9.7976 -9.6469 -9.6469 -9.5851 -9.5851 -9.4961 -9.4961 -2.5379 -2.5379 1.4468 1.4468 5.6146 5.6146 5.7736 5.7736 6.1613 6.1613 7.4322 7.4322 8.5449 8.5449 8.6496 8.6496 9.6175 9.6175 10.3234 10.3234 k =-0.1607 0.0680 0.0000 ( 3277 PWs) bands (ev): -27.9625 -27.9625 -27.9214 -27.9214 -10.8564 -10.8564 -10.7031 -10.7031 -9.7950 -9.7950 -9.6471 -9.6471 -9.5855 -9.5855 -9.4991 -9.4991 -2.5283 -2.5283 1.4305 1.4305 5.6544 5.6544 5.7804 5.7804 6.1573 6.1573 7.4364 7.4364 8.5006 8.5006 8.6720 8.6720 9.5678 9.5678 10.3176 10.3176 k =-0.1786 0.0756 0.0000 ( 3278 PWs) bands (ev): -27.9619 -27.9619 -27.9220 -27.9220 -10.8541 -10.8541 -10.7057 -10.7057 -9.7921 -9.7921 -9.6474 -9.6474 -9.5860 -9.5860 -9.5024 -9.5024 -2.5179 -2.5179 1.4132 1.4132 5.6978 5.6978 5.7878 5.7878 6.1532 6.1532 7.4379 7.4379 8.4561 8.4561 8.6973 8.6973 9.5175 9.5175 10.3140 10.3140 k =-0.1964 0.0831 0.0000 ( 3272 PWs) bands (ev): -27.9613 -27.9613 -27.9227 -27.9227 -10.8517 -10.8517 -10.7085 -10.7085 -9.7890 -9.7890 -9.6479 -9.6479 -9.5864 -9.5864 -9.5058 -9.5058 -2.5069 -2.5069 1.3951 1.3951 5.7443 5.7443 5.7958 5.7958 6.1490 6.1490 7.4361 7.4361 8.4120 8.4120 8.7253 8.7253 9.4685 9.4685 10.3128 10.3128 k =-0.2143 0.0907 0.0000 ( 3268 PWs) bands (ev): -27.9606 -27.9606 -27.9234 -27.9234 -10.8490 -10.8490 -10.7115 -10.7115 -9.7855 -9.7855 -9.6485 -9.6485 -9.5867 -9.5867 -9.5095 -9.5095 -2.4955 -2.4955 1.3764 1.3764 5.7912 5.7912 5.8069 5.8069 6.1447 6.1447 7.4304 7.4304 8.3686 8.3686 8.7560 8.7560 9.4227 9.4227 10.3141 10.3141 k =-0.2321 0.0982 0.0000 ( 3272 PWs) bands (ev): -27.9598 -27.9598 -27.9241 -27.9241 -10.8461 -10.8461 -10.7148 -10.7148 -9.7819 -9.7819 -9.6493 -9.6493 -9.5870 -9.5870 -9.5133 -9.5133 -2.4836 -2.4836 1.3574 1.3574 5.8100 5.8100 5.8489 5.8489 6.1407 6.1407 7.4202 7.4202 8.3255 8.3255 8.7894 8.7894 9.3821 9.3821 10.3179 10.3179 k =-0.2500 0.1058 0.0000 ( 3276 PWs) bands (ev): -27.9591 -27.9591 -27.9249 -27.9249 -10.8430 -10.8430 -10.7182 -10.7182 -9.7780 -9.7780 -9.6503 -9.6503 -9.5872 -9.5872 -9.5173 -9.5173 -2.4716 -2.4716 1.3384 1.3384 5.8192 5.8192 5.9026 5.9026 6.1373 6.1373 7.4055 7.4055 8.2820 8.2820 8.8255 8.8255 9.3485 9.3485 10.3241 10.3241 k =-0.2679 0.1134 0.0000 ( 3286 PWs) bands (ev): -27.9582 -27.9582 -27.9258 -27.9258 -10.8398 -10.8398 -10.7218 -10.7218 -9.7739 -9.7739 -9.6516 -9.6516 -9.5872 -9.5872 -9.5213 -9.5213 -2.4595 -2.4595 1.3195 1.3195 5.8279 5.8279 5.9578 5.9578 6.1353 6.1353 7.3867 7.3867 8.2373 8.2373 8.8643 8.8643 9.3236 9.3236 10.3327 10.3327 k =-0.2857 0.1209 0.0000 ( 3284 PWs) bands (ev): -27.9574 -27.9574 -27.9266 -27.9266 -10.8364 -10.8364 -10.7256 -10.7256 -9.7697 -9.7697 -9.6531 -9.6531 -9.5870 -9.5870 -9.5254 -9.5254 -2.4475 -2.4475 1.3010 1.3010 5.8364 5.8364 6.0116 6.0116 6.1367 6.1367 7.3641 7.3641 8.1903 8.1903 8.9058 8.9058 9.3083 9.3083 10.3434 10.3434 k =-0.3036 0.1285 0.0000 ( 3282 PWs) bands (ev): -27.9565 -27.9565 -27.9275 -27.9275 -10.8328 -10.8328 -10.7295 -10.7295 -9.7652 -9.7652 -9.6550 -9.6550 -9.5867 -9.5867 -9.5295 -9.5295 -2.4357 -2.4357 1.2831 1.2831 5.8448 5.8448 6.0571 6.0571 6.1482 6.1482 7.3386 7.3386 8.1404 8.1404 8.9501 8.9501 9.3032 9.3032 10.3558 10.3558 k =-0.3214 0.1360 0.0000 ( 3282 PWs) bands (ev): -27.9556 -27.9556 -27.9284 -27.9284 -10.8291 -10.8291 -10.7335 -10.7335 -9.7607 -9.7607 -9.6571 -9.6571 -9.5861 -9.5861 -9.5336 -9.5336 -2.4243 -2.4243 1.2661 1.2661 5.8529 5.8529 6.0817 6.0817 6.1820 6.1820 7.3109 7.3109 8.0876 8.0876 8.9970 8.9970 9.3077 9.3077 10.3693 10.3693 k =-0.3393 0.1436 0.0000 ( 3286 PWs) bands (ev): -27.9547 -27.9547 -27.9293 -27.9293 -10.8253 -10.8253 -10.7377 -10.7377 -9.7561 -9.7561 -9.6595 -9.6595 -9.5853 -9.5853 -9.5377 -9.5377 -2.4135 -2.4135 1.2500 1.2500 5.8606 5.8606 6.0887 6.0887 6.2343 6.2343 7.2819 7.2819 8.0322 8.0322 9.0466 9.0466 9.3209 9.3209 10.3803 10.3803 k =-0.3571 0.1511 0.0000 ( 3284 PWs) bands (ev): -27.9537 -27.9537 -27.9303 -27.9303 -10.8214 -10.8214 -10.7419 -10.7419 -9.7514 -9.7514 -9.6622 -9.6622 -9.5844 -9.5844 -9.5417 -9.5417 -2.4034 -2.4034 1.2351 1.2351 5.8678 5.8678 6.0893 6.0893 6.2935 6.2935 7.2524 7.2524 7.9750 7.9750 9.0989 9.0989 9.3411 9.3411 10.3256 10.3256 k =-0.3750 0.1587 0.0000 ( 3280 PWs) bands (ev): -27.9528 -27.9528 -27.9312 -27.9312 -10.8175 -10.8175 -10.7461 -10.7461 -9.7467 -9.7467 -9.6651 -9.6651 -9.5832 -9.5832 -9.5456 -9.5456 -2.3940 -2.3940 1.2216 1.2216 5.8744 5.8744 6.0879 6.0879 6.3545 6.3545 7.2231 7.2231 7.9174 7.9174 9.1537 9.1537 9.3663 9.3663 10.2341 10.2341 k =-0.3929 0.1662 0.0000 ( 3280 PWs) bands (ev): -27.9519 -27.9519 -27.9321 -27.9321 -10.8135 -10.8135 -10.7503 -10.7503 -9.7421 -9.7421 -9.6682 -9.6682 -9.5818 -9.5818 -9.5494 -9.5494 -2.3857 -2.3857 1.2096 1.2096 5.8803 5.8803 6.0859 6.0859 6.4151 6.4151 7.1943 7.1943 7.8610 7.8610 9.2111 9.2111 9.3942 9.3942 10.1432 10.1432 k =-0.4107 0.1738 0.0000 ( 3278 PWs) bands (ev): -27.9511 -27.9511 -27.9329 -27.9329 -10.8096 -10.8096 -10.7545 -10.7545 -9.7376 -9.7376 -9.6714 -9.6714 -9.5801 -9.5801 -9.5530 -9.5530 -2.3784 -2.3784 1.1992 1.1992 5.8855 5.8855 6.0838 6.0838 6.4736 6.4736 7.1668 7.1668 7.8078 7.8078 9.2708 9.2708 9.4225 9.4225 10.0547 10.0547 k =-0.4286 0.1814 0.0000 ( 3282 PWs) bands (ev): -27.9503 -27.9503 -27.9337 -27.9337 -10.8057 -10.8057 -10.7585 -10.7585 -9.7334 -9.7334 -9.6745 -9.6745 -9.5783 -9.5783 -9.5565 -9.5565 -2.3723 -2.3723 1.1905 1.1905 5.8898 5.8898 6.0819 6.0819 6.5280 6.5280 7.1409 7.1409 7.7597 7.7597 9.3324 9.3324 9.4492 9.4492 9.9691 9.9691 k =-0.4464 0.1889 0.0000 ( 3280 PWs) bands (ev): -27.9497 -27.9497 -27.9343 -27.9343 -10.8022 -10.8022 -10.7622 -10.7622 -9.7297 -9.7297 -9.6774 -9.6774 -9.5763 -9.5763 -9.5598 -9.5598 -2.3674 -2.3674 1.1836 1.1836 5.8933 5.8933 6.0803 6.0803 6.5760 6.5760 7.1176 7.1176 7.7190 7.7190 9.3953 9.3953 9.4723 9.4723 9.8874 9.8874 k =-0.4643 0.1965 0.0000 ( 3276 PWs) bands (ev): -27.9492 -27.9492 -27.9348 -27.9348 -10.7991 -10.7991 -10.7653 -10.7653 -9.7267 -9.7267 -9.6798 -9.6798 -9.5741 -9.5741 -9.5630 -9.5630 -2.3639 -2.3639 1.1787 1.1787 5.8958 5.8958 6.0791 6.0791 6.6146 6.6146 7.0983 7.0983 7.6879 7.6879 9.4568 9.4568 9.4909 9.4909 9.8115 9.8115 k =-0.4821 0.2040 0.0000 ( 3268 PWs) bands (ev): -27.9488 -27.9488 -27.9352 -27.9352 -10.7970 -10.7970 -10.7676 -10.7676 -9.7247 -9.7247 -9.6814 -9.6814 -9.5717 -9.5717 -9.5659 -9.5659 -2.3618 -2.3618 1.1757 1.1757 5.8973 5.8973 6.0784 6.0784 6.6400 6.6400 7.0851 7.0851 7.6683 7.6683 9.4968 9.4968 9.5179 9.5179 9.7475 9.7475 k =-0.5000 0.2116 0.0000 ( 3260 PWs) bands (ev): -27.9487 -27.9487 -27.9353 -27.9353 -10.7962 -10.7962 -10.7684 -10.7684 -9.7240 -9.7240 -9.6820 -9.6820 -9.5699 -9.5699 -9.5679 -9.5679 -2.3611 -2.3611 1.1747 1.1747 5.8978 5.8978 6.0781 6.0781 6.6490 6.6490 7.0804 7.0804 7.6617 7.6617 9.5023 9.5023 9.5435 9.5435 9.7174 9.7174 k =-0.5000 0.2116 0.0000 ( 3260 PWs) bands (ev): -27.9487 -27.9487 -27.9353 -27.9353 -10.7962 -10.7962 -10.7684 -10.7684 -9.7240 -9.7240 -9.6820 -9.6820 -9.5699 -9.5699 -9.5679 -9.5679 -2.3611 -2.3611 1.1747 1.1747 5.8978 5.8978 6.0781 6.0781 6.6490 6.6490 7.0804 7.0804 7.6617 7.6617 9.5023 9.5023 9.5435 9.5435 9.7174 9.7174 k =-0.4924 0.2296-0.0000 ( 3256 PWs) bands (ev): -27.9487 -27.9487 -27.9353 -27.9353 -10.7962 -10.7962 -10.7684 -10.7684 -9.7241 -9.7241 -9.6820 -9.6820 -9.5708 -9.5708 -9.5670 -9.5670 -2.3605 -2.3605 1.1759 1.1759 5.8912 5.8912 6.0772 6.0772 6.6484 6.6484 7.0820 7.0820 7.6671 7.6671 9.3761 9.3761 9.6654 9.6654 9.7211 9.7211 k =-0.4848 0.2475-0.0000 ( 3268 PWs) bands (ev): -27.9488 -27.9488 -27.9352 -27.9352 -10.7965 -10.7965 -10.7684 -10.7684 -9.7246 -9.7246 -9.6820 -9.6820 -9.5723 -9.5723 -9.5656 -9.5656 -2.3587 -2.3587 1.1793 1.1793 5.8717 5.8717 6.0746 6.0746 6.6468 6.6468 7.0868 7.0868 7.6831 7.6831 9.2300 9.2300 9.7218 9.7218 9.8084 9.8084 k =-0.4772 0.2655-0.0000 ( 3268 PWs) bands (ev): -27.9488 -27.9488 -27.9352 -27.9352 -10.7968 -10.7968 -10.7684 -10.7684 -9.7253 -9.7253 -9.6819 -9.6819 -9.5738 -9.5738 -9.5640 -9.5640 -2.3557 -2.3557 1.1850 1.1850 5.8402 5.8402 6.0703 6.0703 6.6439 6.6439 7.0948 7.0948 7.7090 7.7090 9.0832 9.0832 9.7322 9.7322 9.9393 9.9393 k =-0.4696 0.2834-0.0000 ( 3272 PWs) bands (ev): -27.9488 -27.9488 -27.9351 -27.9351 -10.7974 -10.7974 -10.7684 -10.7684 -9.7262 -9.7262 -9.6818 -9.6818 -9.5754 -9.5754 -9.5625 -9.5625 -2.3517 -2.3517 1.1930 1.1930 5.7978 5.7978 6.0643 6.0643 6.6400 6.6400 7.1060 7.1060 7.7436 7.7436 8.9368 8.9368 9.7455 9.7455 10.0615 10.0615 k =-0.4620 0.3014-0.0000 ( 3276 PWs) bands (ev): -27.9489 -27.9489 -27.9350 -27.9350 -10.7980 -10.7980 -10.7685 -10.7685 -9.7274 -9.7274 -9.6818 -9.6818 -9.5770 -9.5770 -9.5609 -9.5609 -2.3464 -2.3464 1.2032 1.2032 5.7460 5.7460 6.0567 6.0567 6.6350 6.6350 7.1202 7.1202 7.7858 7.7858 8.7915 8.7915 9.7623 9.7623 10.1704 10.1704 k =-0.4544 0.3194-0.0000 ( 3280 PWs) bands (ev): -27.9490 -27.9490 -27.9348 -27.9348 -10.7988 -10.7988 -10.7685 -10.7685 -9.7287 -9.7287 -9.6818 -9.6818 -9.5786 -9.5786 -9.5593 -9.5593 -2.3402 -2.3402 1.2155 1.2155 5.6862 5.6862 6.0476 6.0476 6.6290 6.6290 7.1374 7.1374 7.8342 7.8342 8.6480 8.6480 9.7826 9.7826 10.2604 10.2604 k =-0.4468 0.3373-0.0000 ( 3286 PWs) bands (ev): -27.9490 -27.9490 -27.9347 -27.9347 -10.7998 -10.7998 -10.7686 -10.7686 -9.7303 -9.7303 -9.6818 -9.6818 -9.5803 -9.5803 -9.5577 -9.5577 -2.3329 -2.3329 1.2299 1.2299 5.6200 5.6200 6.0372 6.0372 6.6221 6.6221 7.1575 7.1575 7.8877 7.8877 8.5067 8.5067 9.8062 9.8062 10.2877 10.2877 k =-0.4392 0.3553-0.0000 ( 3280 PWs) bands (ev): -27.9491 -27.9491 -27.9345 -27.9345 -10.8008 -10.8008 -10.7687 -10.7687 -9.7320 -9.7320 -9.6819 -9.6819 -9.5819 -9.5819 -9.5561 -9.5561 -2.3246 -2.3246 1.2464 1.2464 5.5485 5.5485 6.0255 6.0255 6.6143 6.6143 7.1801 7.1801 7.9452 7.9452 8.3684 8.3684 9.8331 9.8331 10.2445 10.2445 k =-0.4316 0.3732-0.0000 ( 3280 PWs) bands (ev): -27.9493 -27.9493 -27.9343 -27.9343 -10.8019 -10.8019 -10.7688 -10.7688 -9.7337 -9.7337 -9.6821 -9.6821 -9.5835 -9.5835 -9.5544 -9.5544 -2.3155 -2.3155 1.2648 1.2648 5.4730 5.4730 6.0128 6.0128 6.6058 6.6058 7.2050 7.2050 8.0055 8.0055 8.2338 8.2338 9.8629 9.8629 10.1942 10.1942 k =-0.4240 0.3912-0.0000 ( 3284 PWs) bands (ev): -27.9494 -27.9494 -27.9341 -27.9341 -10.8032 -10.8032 -10.7689 -10.7689 -9.7356 -9.7356 -9.6825 -9.6825 -9.5852 -9.5852 -9.5528 -9.5528 -2.3055 -2.3055 1.2850 1.2850 5.3944 5.3944 5.9991 5.9991 6.5967 6.5967 7.2315 7.2315 8.0618 8.0618 8.1099 8.1099 9.8952 9.8952 10.1421 10.1421 k =-0.4164 0.4092-0.0000 ( 3280 PWs) bands (ev): -27.9495 -27.9495 -27.9339 -27.9339 -10.8045 -10.8045 -10.7690 -10.7690 -9.7376 -9.7376 -9.6829 -9.6829 -9.5868 -9.5868 -9.5511 -9.5511 -2.2949 -2.2949 1.3070 1.3070 5.3136 5.3136 5.9847 5.9847 6.5872 6.5872 7.2587 7.2587 7.9735 7.9735 8.1380 8.1380 9.9292 9.9292 10.0902 10.0902 k =-0.4088 0.4271-0.0000 ( 3279 PWs) bands (ev): -27.9497 -27.9497 -27.9336 -27.9336 -10.8059 -10.8059 -10.7692 -10.7692 -9.7395 -9.7395 -9.6834 -9.6834 -9.5884 -9.5884 -9.5493 -9.5493 -2.2836 -2.2836 1.3306 1.3306 5.2315 5.2315 5.9697 5.9697 6.5773 6.5773 7.2844 7.2844 7.8565 7.8565 8.2040 8.2040 9.9599 9.9599 10.0440 10.0440 k =-0.4012 0.4451-0.0000 ( 3289 PWs) bands (ev): -27.9498 -27.9498 -27.9334 -27.9334 -10.8073 -10.8073 -10.7693 -10.7693 -9.7415 -9.7415 -9.6841 -9.6841 -9.5900 -9.5900 -9.5476 -9.5476 -2.2718 -2.2718 1.3556 1.3556 5.1487 5.1487 5.9543 5.9543 6.5672 6.5672 7.3044 7.3044 7.7507 7.7507 8.2721 8.2721 9.9568 9.9568 10.0342 10.0342 k =-0.3936 0.4631-0.0000 ( 3289 PWs) bands (ev): -27.9500 -27.9500 -27.9331 -27.9331 -10.8088 -10.8088 -10.7694 -10.7694 -9.7435 -9.7435 -9.6848 -9.6848 -9.5916 -9.5916 -9.5458 -9.5458 -2.2596 -2.2596 1.3821 1.3821 5.0657 5.0657 5.9387 5.9387 6.5570 6.5570 7.3092 7.3092 7.6663 7.6663 8.3414 8.3414 9.9136 9.9136 10.0678 10.0678 k =-0.3860 0.4810-0.0000 ( 3285 PWs) bands (ev): -27.9502 -27.9502 -27.9328 -27.9328 -10.8104 -10.8104 -10.7695 -10.7695 -9.7455 -9.7455 -9.6857 -9.6857 -9.5932 -9.5932 -9.5440 -9.5440 -2.2470 -2.2470 1.4097 1.4097 4.9832 4.9832 5.9229 5.9229 6.5469 6.5469 7.2841 7.2841 7.6182 7.6182 8.4117 8.4117 9.8640 9.8640 10.1110 10.1110 k =-0.3784 0.4990-0.0000 ( 3293 PWs) bands (ev): -27.9504 -27.9504 -27.9325 -27.9325 -10.8120 -10.8120 -10.7696 -10.7696 -9.7475 -9.7475 -9.6866 -9.6866 -9.5948 -9.5948 -9.5422 -9.5422 -2.2344 -2.2344 1.4383 1.4383 4.9016 4.9016 5.9073 5.9073 6.5369 6.5369 7.2240 7.2240 7.6116 7.6116 8.4829 8.4829 9.8143 9.8143 10.1576 10.1576 k =-0.3708 0.5169-0.0000 ( 3291 PWs) bands (ev): -27.9506 -27.9506 -27.9321 -27.9321 -10.8136 -10.8136 -10.7697 -10.7697 -9.7494 -9.7494 -9.6877 -9.6877 -9.5963 -9.5963 -9.5404 -9.5404 -2.2216 -2.2216 1.4677 1.4677 4.8212 4.8212 5.8919 5.8919 6.5273 6.5273 7.1418 7.1418 7.6336 7.6336 8.5548 8.5548 9.7659 9.7659 10.2061 10.2061 k =-0.3632 0.5349-0.0000 ( 3291 PWs) bands (ev): -27.9508 -27.9508 -27.9318 -27.9318 -10.8152 -10.8152 -10.7698 -10.7698 -9.7513 -9.7513 -9.6887 -9.6887 -9.5978 -9.5978 -9.5385 -9.5385 -2.2090 -2.2090 1.4978 1.4978 4.7426 4.7426 5.8769 5.8769 6.5180 6.5180 7.0511 7.0511 7.6709 7.6709 8.6276 8.6276 9.7193 9.7193 10.2555 10.2555 k =-0.3556 0.5529-0.0000 ( 3283 PWs) bands (ev): -27.9511 -27.9511 -27.9314 -27.9314 -10.8169 -10.8169 -10.7697 -10.7697 -9.7531 -9.7531 -9.6899 -9.6899 -9.5993 -9.5993 -9.5366 -9.5366 -2.1966 -2.1966 1.5283 1.5283 4.6661 4.6661 5.8625 5.8625 6.5092 6.5092 6.9586 6.9586 7.7167 7.7167 8.7010 8.7010 9.6749 9.6749 10.3032 10.3032 k =-0.3480 0.5708-0.0000 ( 3287 PWs) bands (ev): -27.9513 -27.9513 -27.9311 -27.9311 -10.8186 -10.8186 -10.7697 -10.7697 -9.7548 -9.7548 -9.6910 -9.6910 -9.6008 -9.6008 -9.5347 -9.5347 -2.1845 -2.1845 1.5590 1.5590 4.5920 4.5920 5.8487 5.8487 6.5009 6.5009 6.8677 6.8677 7.7677 7.7677 8.7751 8.7751 9.6330 9.6330 10.3369 10.3369 k =-0.3404 0.5888-0.0000 ( 3297 PWs) bands (ev): -27.9516 -27.9516 -27.9307 -27.9307 -10.8203 -10.8203 -10.7695 -10.7695 -9.7566 -9.7566 -9.6921 -9.6921 -9.6022 -9.6022 -9.5328 -9.5328 -2.1729 -2.1729 1.5897 1.5897 4.5206 4.5206 5.8357 5.8357 6.4930 6.4930 6.7801 6.7801 7.8222 7.8222 8.8500 8.8500 9.5936 9.5936 10.3330 10.3330 k =-0.3328 0.6068-0.0000 ( 3293 PWs) bands (ev): -27.9519 -27.9519 -27.9303 -27.9303 -10.8220 -10.8220 -10.7693 -10.7693 -9.7582 -9.7582 -9.6932 -9.6932 -9.6037 -9.6037 -9.5309 -9.5309 -2.1620 -2.1620 1.6201 1.6201 4.4522 4.4522 5.8237 5.8237 6.4855 6.4855 6.6970 6.6970 7.8792 7.8792 8.9255 8.9255 9.5570 9.5570 10.3132 10.3132 k =-0.3252 0.6247-0.0000 ( 3299 PWs) bands (ev): -27.9522 -27.9522 -27.9299 -27.9299 -10.8237 -10.8237 -10.7690 -10.7690 -9.7598 -9.7598 -9.6943 -9.6943 -9.6051 -9.6051 -9.5289 -9.5289 -2.1519 -2.1519 1.6500 1.6500 4.3871 4.3871 5.8126 5.8126 6.4778 6.4778 6.6196 6.6196 7.9380 7.9380 9.0016 9.0016 9.5233 9.5233 10.2898 10.2898 k =-0.3176 0.6427-0.0000 ( 3295 PWs) bands (ev): -27.9525 -27.9525 -27.9295 -27.9295 -10.8253 -10.8253 -10.7685 -10.7685 -9.7614 -9.7614 -9.6952 -9.6952 -9.6064 -9.6064 -9.5270 -9.5270 -2.1426 -2.1426 1.6790 1.6790 4.3256 4.3256 5.8026 5.8026 6.4677 6.4677 6.5506 6.5506 7.9980 7.9980 9.0784 9.0784 9.4926 9.4926 10.2650 10.2650 k =-0.3100 0.6606-0.0000 ( 3303 PWs) bands (ev): -27.9528 -27.9528 -27.9291 -27.9291 -10.8270 -10.8270 -10.7680 -10.7680 -9.7629 -9.7629 -9.6960 -9.6960 -9.6078 -9.6078 -9.5251 -9.5251 -2.1344 -2.1344 1.7071 1.7071 4.2678 4.2678 5.7939 5.7939 6.4444 6.4444 6.5013 6.5013 8.0585 8.0585 9.1558 9.1558 9.4651 9.4651 10.2396 10.2396 k =-0.3024 0.6786-0.0000 ( 3303 PWs) bands (ev): -27.9531 -27.9531 -27.9287 -27.9287 -10.8287 -10.8287 -10.7673 -10.7673 -9.7644 -9.7644 -9.6967 -9.6967 -9.6091 -9.6091 -9.5232 -9.5232 -2.1273 -2.1273 1.7338 1.7338 4.2140 4.2140 5.7863 5.7863 6.3973 6.3973 6.4827 6.4827 8.1190 8.1190 9.2335 9.2335 9.4410 9.4410 10.2140 10.2140 k =-0.2948 0.6966-0.0000 ( 3301 PWs) bands (ev): -27.9535 -27.9535 -27.9283 -27.9283 -10.8304 -10.8304 -10.7665 -10.7665 -9.7658 -9.7658 -9.6972 -9.6972 -9.6104 -9.6104 -9.5212 -9.5212 -2.1215 -2.1215 1.7589 1.7589 4.1645 4.1645 5.7801 5.7801 6.3452 6.3452 6.4762 6.4762 8.1789 8.1789 9.3112 9.3112 9.4208 9.4208 10.1886 10.1886 k =-0.2948 0.6966-0.0000 ( 3301 PWs) bands (ev): -27.9535 -27.9535 -27.9283 -27.9283 -10.8304 -10.8304 -10.7665 -10.7665 -9.7658 -9.7658 -9.6972 -9.6972 -9.6104 -9.6104 -9.5212 -9.5212 -2.1215 -2.1215 1.7589 1.7589 4.1645 4.1645 5.7801 5.7801 6.3452 6.3452 6.4762 6.4762 8.1789 8.1789 9.3112 9.3112 9.4208 9.4208 10.1886 10.1886 k =-0.2948 0.6966 0.0195 ( 3299 PWs) bands (ev): -27.9534 -27.9534 -27.9283 -27.9283 -10.8304 -10.8304 -10.7666 -10.7666 -9.7659 -9.7659 -9.6971 -9.6971 -9.6105 -9.6105 -9.5214 -9.5214 -2.1204 -2.1204 1.7572 1.7572 4.1661 4.1661 5.7695 5.7695 6.3498 6.3498 6.4762 6.4762 8.1883 8.1883 9.2668 9.2668 9.4650 9.4650 10.1787 10.1787 k =-0.2948 0.6966 0.0391 ( 3295 PWs) bands (ev): -27.9534 -27.9534 -27.9283 -27.9283 -10.8304 -10.8304 -10.7668 -10.7668 -9.7662 -9.7662 -9.6970 -9.6970 -9.6108 -9.6108 -9.5218 -9.5218 -2.1170 -2.1170 1.7520 1.7520 4.1711 4.1711 5.7390 5.7390 6.3626 6.3626 6.4763 6.4763 8.2163 8.2163 9.1920 9.1920 9.5391 9.5391 10.1511 10.1511 k =-0.2948 0.6966 0.0586 ( 3291 PWs) bands (ev): -27.9533 -27.9533 -27.9283 -27.9283 -10.8305 -10.8305 -10.7671 -10.7671 -9.7667 -9.7667 -9.6967 -9.6967 -9.6113 -9.6113 -9.5225 -9.5225 -2.1113 -2.1113 1.7433 1.7433 4.1793 4.1793 5.6924 5.6924 6.3805 6.3805 6.4770 6.4770 8.2614 8.2614 9.1129 9.1129 9.6170 9.6170 10.1102 10.1102 k =-0.2948 0.6966 0.0781 ( 3293 PWs) bands (ev): -27.9531 -27.9531 -27.9283 -27.9283 -10.8306 -10.8306 -10.7676 -10.7676 -9.7673 -9.7673 -9.6964 -9.6964 -9.6121 -9.6121 -9.5234 -9.5234 -2.1033 -2.1033 1.7311 1.7311 4.1907 4.1907 5.6338 5.6338 6.3999 6.3999 6.4791 6.4791 8.3215 8.3215 9.0334 9.0334 9.6947 9.6947 10.0609 10.0609 k =-0.2948 0.6966 0.0976 ( 3285 PWs) bands (ev): -27.9529 -27.9529 -27.9283 -27.9283 -10.8307 -10.8307 -10.7681 -10.7681 -9.7681 -9.7681 -9.6961 -9.6961 -9.6130 -9.6130 -9.5246 -9.5246 -2.0930 -2.0930 1.7152 1.7152 4.2054 4.2054 5.5669 5.5669 6.4166 6.4166 6.4849 6.4849 8.3942 8.3942 8.9547 8.9547 9.7704 9.7704 10.0076 10.0076 k =-0.2948 0.6966 0.1172 ( 3285 PWs) bands (ev): -27.9526 -27.9526 -27.9283 -27.9283 -10.8308 -10.8308 -10.7689 -10.7689 -9.7691 -9.7691 -9.6956 -9.6956 -9.6141 -9.6141 -9.5260 -9.5260 -2.0805 -2.0805 1.6955 1.6955 4.2232 4.2232 5.4949 5.4949 6.4266 6.4266 6.4970 6.4970 8.4762 8.4762 8.8776 8.8776 9.8414 9.8414 9.9552 9.9552 k =-0.2948 0.6966 0.1367 ( 3286 PWs) bands (ev): -27.9523 -27.9523 -27.9282 -27.9282 -10.8309 -10.8309 -10.7697 -10.7697 -9.7701 -9.7701 -9.6952 -9.6952 -9.6154 -9.6154 -9.5276 -9.5276 -2.0657 -2.0657 1.6720 1.6720 4.2441 4.2441 5.4203 5.4203 6.4291 6.4291 6.5155 6.5155 8.5642 8.5642 8.8026 8.8026 9.8773 9.8773 9.9358 9.9358 k =-0.2948 0.6966 0.1562 ( 3292 PWs) bands (ev): -27.9520 -27.9520 -27.9282 -27.9282 -10.8311 -10.8311 -10.7707 -10.7707 -9.7713 -9.7713 -9.6948 -9.6948 -9.6168 -9.6168 -9.5294 -9.5294 -2.0486 -2.0486 1.6445 1.6445 4.2680 4.2680 5.3449 5.3449 6.4263 6.4263 6.5378 6.5378 8.6528 8.6528 8.7321 8.7321 9.8382 9.8382 9.9909 9.9909 k =-0.2948 0.6966 0.1757 ( 3294 PWs) bands (ev): -27.9516 -27.9516 -27.9282 -27.9282 -10.8313 -10.8313 -10.7718 -10.7718 -9.7726 -9.7726 -9.6943 -9.6943 -9.6183 -9.6183 -9.5314 -9.5314 -2.0293 -2.0293 1.6129 1.6129 4.2948 4.2948 5.2704 5.2704 6.4198 6.4198 6.5619 6.5619 8.6557 8.6557 8.7483 8.7483 9.7957 9.7957 10.0506 10.0506 k =-0.2948 0.6966 0.1953 ( 3290 PWs) bands (ev): -27.9512 -27.9512 -27.9282 -27.9282 -10.8315 -10.8315 -10.7730 -10.7730 -9.7740 -9.7740 -9.6940 -9.6940 -9.6199 -9.6199 -9.5336 -9.5336 -2.0076 -2.0076 1.5771 1.5771 4.3244 4.3244 5.1980 5.1980 6.4106 6.4106 6.5866 6.5866 8.5908 8.5908 8.8287 8.8287 9.7622 9.7622 10.1049 10.1049 k =-0.2948 0.6966 0.2148 ( 3291 PWs) bands (ev): -27.9508 -27.9508 -27.9282 -27.9282 -10.8317 -10.8317 -10.7743 -10.7743 -9.7755 -9.7755 -9.6937 -9.6937 -9.6217 -9.6217 -9.5359 -9.5359 -1.9837 -1.9837 1.5372 1.5372 4.3567 4.3567 5.1287 5.1287 6.3987 6.3987 6.6115 6.6115 8.5284 8.5284 8.8982 8.8982 9.7426 9.7426 10.1519 10.1519 k =-0.2948 0.6966 0.2343 ( 3295 PWs) bands (ev): -27.9503 -27.9503 -27.9282 -27.9282 -10.8320 -10.8320 -10.7758 -10.7758 -9.7769 -9.7769 -9.6935 -9.6935 -9.6234 -9.6234 -9.5382 -9.5382 -1.9576 -1.9576 1.4929 1.4929 4.3916 4.3916 5.0634 5.0634 6.3843 6.3843 6.6360 6.6360 8.4698 8.4698 8.9499 8.9499 9.7413 9.7413 10.1906 10.1906 k =-0.2948 0.6966 0.2538 ( 3302 PWs) bands (ev): -27.9498 -27.9498 -27.9282 -27.9282 -10.8322 -10.8322 -10.7773 -10.7773 -9.7784 -9.7784 -9.6934 -9.6934 -9.6252 -9.6252 -9.5407 -9.5407 -1.9292 -1.9292 1.4444 1.4444 4.4289 4.4289 5.0026 5.0026 6.3673 6.3673 6.6598 6.6598 8.4158 8.4158 8.9803 8.9803 9.7605 9.7605 10.2208 10.2208 k =-0.2948 0.6966 0.2734 ( 3308 PWs) bands (ev): -27.9492 -27.9492 -27.9282 -27.9282 -10.8325 -10.8325 -10.7790 -10.7790 -9.7800 -9.7800 -9.6935 -9.6935 -9.6269 -9.6269 -9.5432 -9.5432 -1.8985 -1.8985 1.3916 1.3916 4.4685 4.4685 4.9468 4.9468 6.3476 6.3476 6.6826 6.6826 8.3665 8.3665 8.9894 8.9894 9.7988 9.7988 10.2432 10.2432 k =-0.2948 0.6966 0.2929 ( 3308 PWs) bands (ev): -27.9487 -27.9487 -27.9282 -27.9282 -10.8328 -10.8328 -10.7807 -10.7807 -9.7815 -9.7815 -9.6939 -9.6939 -9.6286 -9.6286 -9.5457 -9.5457 -1.8656 -1.8656 1.3348 1.3348 4.5101 4.5101 4.8964 4.8964 6.3254 6.3254 6.7039 6.7039 8.3223 8.3223 8.9812 8.9812 9.8514 9.8514 10.2589 10.2589 k =-0.2948 0.6966 0.3124 ( 3306 PWs) bands (ev): -27.9481 -27.9481 -27.9282 -27.9282 -10.8331 -10.8331 -10.7826 -10.7826 -9.7829 -9.7829 -9.6944 -9.6944 -9.6302 -9.6302 -9.5482 -9.5482 -1.8305 -1.8305 1.2739 1.2739 4.5536 4.5536 4.8516 4.8516 6.3005 6.3005 6.7233 6.7233 8.2833 8.2833 8.9608 8.9608 9.9124 9.9124 10.2693 10.2693 k =-0.2948 0.6966 0.3320 ( 3302 PWs) bands (ev): -27.9474 -27.9474 -27.9282 -27.9282 -10.8334 -10.8334 -10.7845 -10.7845 -9.7844 -9.7844 -9.6952 -9.6952 -9.6317 -9.6317 -9.5507 -9.5507 -1.7931 -1.7931 1.2093 1.2093 4.5986 4.5986 4.8124 4.8124 6.2731 6.2731 6.7404 6.7404 8.2497 8.2497 8.9327 8.9327 9.9765 9.9765 10.2758 10.2758 k =-0.2948 0.6966 0.3515 ( 3305 PWs) bands (ev): -27.9468 -27.9468 -27.9283 -27.9283 -10.8337 -10.8337 -10.7866 -10.7866 -9.7857 -9.7857 -9.6963 -9.6963 -9.6330 -9.6330 -9.5532 -9.5532 -1.7534 -1.7534 1.1411 1.1411 4.6449 4.6449 4.7792 4.7792 6.2434 6.2434 6.7546 6.7546 8.2214 8.2214 8.9005 8.9005 10.0400 10.0400 10.2797 10.2797 k =-0.2948 0.6966 0.3710 ( 3305 PWs) bands (ev): -27.9461 -27.9461 -27.9284 -27.9284 -10.8339 -10.8339 -10.7886 -10.7886 -9.7870 -9.7870 -9.6976 -9.6976 -9.6342 -9.6342 -9.5556 -9.5556 -1.7116 -1.7116 1.0695 1.0695 4.6914 4.6914 4.7523 4.7523 6.2116 6.2116 6.7656 6.7656 8.1985 8.1985 8.8666 8.8666 10.1008 10.1008 10.2819 10.2819 k =-0.2948 0.6966 0.3905 ( 3303 PWs) bands (ev): -27.9455 -27.9455 -27.9284 -27.9284 -10.8342 -10.8342 -10.7908 -10.7908 -9.7882 -9.7882 -9.6992 -9.6992 -9.6352 -9.6352 -9.5579 -9.5579 -1.6676 -1.6676 0.9950 0.9950 4.7219 4.7219 4.7477 4.7477 6.1783 6.1783 6.7727 6.7727 8.1808 8.1808 8.8327 8.8327 10.1574 10.1574 10.2835 10.2835 k =-0.2948 0.6966 0.4101 ( 3299 PWs) bands (ev): -27.9448 -27.9448 -27.9285 -27.9285 -10.8344 -10.8344 -10.7930 -10.7930 -9.7893 -9.7893 -9.7010 -9.7010 -9.6361 -9.6361 -9.5601 -9.5601 -1.6213 -1.6213 0.9178 0.9178 4.7092 4.7092 4.7919 4.7919 6.1438 6.1438 6.7757 6.7757 8.1680 8.1680 8.7996 8.7996 10.2092 10.2092 10.2855 10.2855 k =-0.2948 0.6966 0.4296 ( 3293 PWs) bands (ev): -27.9441 -27.9441 -27.9286 -27.9286 -10.8346 -10.8346 -10.7952 -10.7952 -9.7904 -9.7904 -9.7031 -9.7031 -9.6368 -9.6368 -9.5622 -9.5622 -1.5729 -1.5729 0.8382 0.8382 4.6977 4.6977 4.8398 4.8398 6.1089 6.1089 6.7742 6.7742 8.1599 8.1599 8.7682 8.7682 10.2546 10.2546 10.2900 10.2900 k =-0.2948 0.6966 0.4491 ( 3301 PWs) bands (ev): -27.9434 -27.9434 -27.9288 -27.9288 -10.8348 -10.8348 -10.7975 -10.7975 -9.7913 -9.7913 -9.7053 -9.7053 -9.6373 -9.6373 -9.5642 -9.5642 -1.5223 -1.5223 0.7566 0.7566 4.6907 4.6907 4.8872 4.8872 6.0743 6.0743 6.7680 6.7680 8.1563 8.1563 8.7387 8.7387 10.2810 10.2810 10.3107 10.3107 k =-0.2948 0.6966 0.4686 ( 3305 PWs) bands (ev): -27.9427 -27.9427 -27.9289 -27.9289 -10.8349 -10.8349 -10.7998 -10.7998 -9.7920 -9.7920 -9.7077 -9.7077 -9.6378 -9.6378 -9.5660 -9.5660 -1.4695 -1.4695 0.6733 0.6733 4.6882 4.6882 4.9333 4.9333 6.0408 6.0408 6.7568 6.7568 8.1567 8.1567 8.7111 8.7111 10.2887 10.2887 10.3481 10.3481 k =-0.2948 0.6966 0.4882 ( 3301 PWs) bands (ev): -27.9420 -27.9420 -27.9291 -27.9291 -10.8349 -10.8349 -10.8021 -10.8021 -9.7927 -9.7927 -9.7102 -9.7102 -9.6381 -9.6381 -9.5677 -9.5677 -1.4146 -1.4146 0.5886 0.5886 4.6901 4.6901 4.9769 4.9769 6.0096 6.0096 6.7407 6.7407 8.1608 8.1608 8.6855 8.6855 10.2950 10.2950 10.3857 10.3857 k =-0.2948 0.6966 0.5077 ( 3304 PWs) bands (ev): -27.9412 -27.9412 -27.9293 -27.9293 -10.8349 -10.8349 -10.8044 -10.8044 -9.7933 -9.7933 -9.7127 -9.7127 -9.6384 -9.6384 -9.5693 -9.5693 -1.3576 -1.3576 0.5027 0.5027 4.6959 4.6959 5.0171 5.0171 5.9820 5.9820 6.7197 6.7197 8.1683 8.1683 8.6617 8.6617 10.3026 10.3026 10.4216 10.4216 k =-0.2948 0.6966 0.5272 ( 3302 PWs) bands (ev): -27.9405 -27.9405 -27.9295 -27.9295 -10.8349 -10.8349 -10.8067 -10.8067 -9.7937 -9.7937 -9.7153 -9.7153 -9.6385 -9.6385 -9.5708 -9.5708 -1.2985 -1.2985 0.4161 0.4161 4.7056 4.7056 5.0525 5.0525 5.9592 5.9592 6.6940 6.6940 8.1788 8.1788 8.6392 8.6392 10.3120 10.3120 10.4556 10.4556 k =-0.2948 0.6966 0.5467 ( 3303 PWs) bands (ev): -27.9398 -27.9398 -27.9297 -27.9297 -10.8347 -10.8347 -10.8089 -10.8089 -9.7940 -9.7940 -9.7178 -9.7178 -9.6387 -9.6387 -9.5720 -9.5720 -1.2374 -1.2374 0.3291 0.3291 4.7187 4.7187 5.0818 5.0818 5.9429 5.9429 6.6638 6.6638 8.1920 8.1920 8.6178 8.6178 10.3235 10.3235 10.4876 10.4876 k =-0.2948 0.6966 0.5663 ( 3303 PWs) bands (ev): -27.9391 -27.9391 -27.9300 -27.9300 -10.8345 -10.8345 -10.8111 -10.8111 -9.7942 -9.7942 -9.7203 -9.7203 -9.6388 -9.6388 -9.5732 -9.5732 -1.1742 -1.1742 0.2417 0.2417 4.7351 4.7351 5.1038 5.1038 5.9343 5.9343 6.6294 6.6294 8.2075 8.2075 8.5971 8.5971 10.3370 10.3370 10.5171 10.5171 k =-0.2948 0.6966 0.5858 ( 3301 PWs) bands (ev): -27.9385 -27.9385 -27.9303 -27.9303 -10.8342 -10.8342 -10.8132 -10.8132 -9.7944 -9.7944 -9.7226 -9.7226 -9.6388 -9.6388 -9.5742 -9.5742 -1.1090 -1.1090 0.1544 0.1544 4.7544 4.7544 5.1174 5.1174 5.9347 5.9347 6.5913 6.5913 8.2250 8.2250 8.5767 8.5767 10.3528 10.3528 10.5433 10.5433 k =-0.2948 0.6966 0.6053 ( 3303 PWs) bands (ev): -27.9378 -27.9378 -27.9306 -27.9306 -10.8337 -10.8337 -10.8153 -10.8153 -9.7944 -9.7944 -9.7248 -9.7248 -9.6389 -9.6389 -9.5751 -9.5751 -1.0419 -1.0419 0.0672 0.0672 4.7764 4.7764 5.1222 5.1222 5.9444 5.9444 6.5498 6.5498 8.2441 8.2441 8.5564 8.5564 10.3706 10.3706 10.5649 10.5649 k =-0.2948 0.6966 0.6249 ( 3311 PWs) bands (ev): -27.9371 -27.9371 -27.9310 -27.9310 -10.8332 -10.8332 -10.8173 -10.8173 -9.7944 -9.7944 -9.7268 -9.7268 -9.6389 -9.6389 -9.5758 -9.5758 -0.9728 -0.9728 -0.0195 -0.0195 4.8007 4.8007 5.1186 5.1186 5.9634 5.9634 6.5055 6.5055 8.2647 8.2647 8.5359 8.5359 10.3905 10.3905 10.5808 10.5808 k =-0.2948 0.6966 0.6444 ( 3313 PWs) bands (ev): -27.9365 -27.9365 -27.9313 -27.9313 -10.8325 -10.8325 -10.8192 -10.8192 -9.7944 -9.7944 -9.7286 -9.7286 -9.6390 -9.6390 -9.5764 -9.5764 -0.9019 -0.9019 -0.1056 -0.1056 4.8271 4.8271 5.1073 5.1073 5.9907 5.9907 6.4587 6.4587 8.2863 8.2863 8.5151 8.5151 10.4121 10.4121 10.5899 10.5899 k =-0.2948 0.6966 0.6639 ( 3315 PWs) bands (ev): -27.9359 -27.9359 -27.9317 -27.9317 -10.8318 -10.8318 -10.8210 -10.8210 -9.7943 -9.7943 -9.7301 -9.7301 -9.6390 -9.6390 -9.5769 -9.5769 -0.8292 -0.8292 -0.1909 -0.1909 4.8551 4.8551 5.0897 5.0897 6.0251 6.0251 6.4100 6.4100 8.3087 8.3087 8.4938 8.4938 10.4352 10.4352 10.5916 10.5916 k =-0.2948 0.6966 0.6834 ( 3313 PWs) bands (ev): -27.9353 -27.9353 -27.9322 -27.9322 -10.8309 -10.8309 -10.8227 -10.8227 -9.7942 -9.7942 -9.7313 -9.7313 -9.6390 -9.6390 -9.5773 -9.5773 -0.7547 -0.7547 -0.2752 -0.2752 4.8844 4.8844 5.0673 5.0673 6.0652 6.0652 6.3599 6.3599 8.3316 8.3316 8.4719 8.4719 10.4593 10.4593 10.5862 10.5862 k =-0.2948 0.6966 0.7030 ( 3311 PWs) bands (ev): -27.9347 -27.9347 -27.9326 -27.9326 -10.8300 -10.8300 -10.8242 -10.8242 -9.7942 -9.7942 -9.7321 -9.7321 -9.6390 -9.6390 -9.5776 -9.5776 -0.6786 -0.6786 -0.3584 -0.3584 4.9142 4.9142 5.0416 5.0416 6.1096 6.1096 6.3089 6.3089 8.3548 8.3548 8.4497 8.4497 10.4835 10.4835 10.5747 10.5747 k =-0.2948 0.6966 0.7225 ( 3311 PWs) bands (ev): -27.9341 -27.9341 -27.9331 -27.9331 -10.8290 -10.8290 -10.8256 -10.8256 -9.7941 -9.7941 -9.7327 -9.7327 -9.6390 -9.6390 -9.5778 -9.5778 -0.6009 -0.6009 -0.4404 -0.4404 4.9430 4.9430 5.0150 5.0150 6.1571 6.1571 6.2578 6.2578 8.3776 8.3776 8.4276 8.4276 10.5063 10.5063 10.5592 10.5592 k =-0.2948 0.6966 0.7420 ( 3316 PWs) bands (ev): -27.9336 -27.9336 -27.9336 -27.9336 -10.8285 -10.8285 -10.8262 -10.8262 -9.7941 -9.7941 -9.7329 -9.7329 -9.6390 -9.6390 -9.5778 -9.5778 -0.5274 -0.5274 -0.5153 -0.5153 4.9608 4.9608 4.9979 4.9979 6.2031 6.2031 6.2106 6.2106 8.3940 8.3940 8.4114 8.4114 10.5197 10.5197 10.5481 10.5481 k =-0.2948 0.6966 0.7420 ( 3316 PWs) bands (ev): -27.9336 -27.9336 -27.9336 -27.9336 -10.8285 -10.8285 -10.8262 -10.8262 -9.7941 -9.7941 -9.7329 -9.7329 -9.6390 -9.6390 -9.5778 -9.5778 -0.5274 -0.5274 -0.5153 -0.5153 4.9608 4.9608 4.9979 4.9979 6.2031 6.2031 6.2106 6.2106 8.3940 8.3940 8.4114 8.4114 10.5197 10.5197 10.5481 10.5481 k =-0.3024 0.6786 0.7420 ( 3310 PWs) bands (ev): -27.9336 -27.9336 -27.9336 -27.9336 -10.8285 -10.8285 -10.8266 -10.8266 -9.7947 -9.7947 -9.7349 -9.7349 -9.6363 -9.6363 -9.5761 -9.5761 -0.5227 -0.5227 -0.5102 -0.5102 4.9289 4.9289 4.9652 4.9652 6.2197 6.2197 6.2268 6.2268 8.4192 8.4192 8.4352 8.4352 10.4466 10.4466 10.4733 10.4733 k =-0.3100 0.6606 0.7420 ( 3310 PWs) bands (ev): -27.9337 -27.9337 -27.9337 -27.9337 -10.8286 -10.8286 -10.8269 -10.8269 -9.7952 -9.7952 -9.7369 -9.7369 -9.6334 -9.6334 -9.5743 -9.5743 -0.5179 -0.5179 -0.5049 -0.5049 4.8969 4.8969 4.9325 4.9325 6.2365 6.2365 6.2433 6.2433 8.4471 8.4471 8.4618 8.4618 10.3668 10.3668 10.3919 10.3919 k =-0.3176 0.6427 0.7420 ( 3314 PWs) bands (ev): -27.9337 -27.9337 -27.9337 -27.9337 -10.8286 -10.8286 -10.8272 -10.8272 -9.7956 -9.7956 -9.7389 -9.7389 -9.6305 -9.6305 -9.5727 -9.5727 -0.5130 -0.5130 -0.4997 -0.4997 4.8652 4.8652 4.8999 4.8999 6.2536 6.2536 6.2600 6.2600 8.4778 8.4778 8.4915 8.4915 10.2827 10.2827 10.3064 10.3064 k =-0.3252 0.6247 0.7420 ( 3310 PWs) bands (ev): -27.9337 -27.9337 -27.9337 -27.9337 -10.8286 -10.8286 -10.8274 -10.8274 -9.7959 -9.7959 -9.7409 -9.7409 -9.6275 -9.6275 -9.5711 -9.5711 -0.5081 -0.5081 -0.4945 -0.4945 4.8338 4.8338 4.8676 4.8676 6.2708 6.2708 6.2767 6.2767 8.5116 8.5116 8.5243 8.5243 10.1960 10.1960 10.2185 10.2185 k =-0.3328 0.6068 0.7420 ( 3306 PWs) bands (ev): -27.9338 -27.9338 -27.9338 -27.9338 -10.8286 -10.8286 -10.8276 -10.8276 -9.7960 -9.7960 -9.7429 -9.7429 -9.6245 -9.6245 -9.5695 -9.5695 -0.5031 -0.5031 -0.4893 -0.4893 4.8030 4.8030 4.8359 4.8359 6.2880 6.2880 6.2934 6.2934 8.5486 8.5486 8.5606 8.5606 10.1080 10.1080 10.1293 10.1293 k =-0.3404 0.5888 0.7420 ( 3306 PWs) bands (ev): -27.9338 -27.9338 -27.9338 -27.9338 -10.8285 -10.8285 -10.8278 -10.8278 -9.7961 -9.7961 -9.7448 -9.7448 -9.6214 -9.6214 -9.5680 -9.5680 -0.4982 -0.4982 -0.4842 -0.4842 4.7730 4.7730 4.8048 4.8048 6.3052 6.3052 6.3101 6.3101 8.5890 8.5890 8.6004 8.6004 10.0196 10.0196 10.0397 10.0397 k =-0.3480 0.5708 0.7420 ( 3306 PWs) bands (ev): -27.9339 -27.9339 -27.9339 -27.9339 -10.8285 -10.8285 -10.8280 -10.8280 -9.7960 -9.7960 -9.7467 -9.7467 -9.6183 -9.6183 -9.5666 -9.5666 -0.4933 -0.4933 -0.4793 -0.4793 4.7438 4.7438 4.7746 4.7746 6.3223 6.3223 6.3268 6.3268 8.6329 8.6329 8.6439 8.6439 9.9314 9.9314 9.9503 9.9503 k =-0.3556 0.5529 0.7420 ( 3300 PWs) bands (ev): -27.9339 -27.9339 -27.9339 -27.9339 -10.8285 -10.8285 -10.8282 -10.8282 -9.7958 -9.7958 -9.7485 -9.7485 -9.6151 -9.6151 -9.5653 -9.5653 -0.4885 -0.4885 -0.4745 -0.4745 4.7156 4.7156 4.7454 4.7454 6.3394 6.3394 6.3433 6.3433 8.6803 8.6803 8.6911 8.6911 9.8440 9.8440 9.8617 9.8617 k =-0.3632 0.5349 0.7420 ( 3304 PWs) bands (ev): -27.9340 -27.9340 -27.9340 -27.9340 -10.8284 -10.8284 -10.8283 -10.8283 -9.7955 -9.7955 -9.7503 -9.7503 -9.6120 -9.6120 -9.5641 -9.5641 -0.4838 -0.4838 -0.4699 -0.4699 4.6886 4.6886 4.7172 4.7172 6.3563 6.3563 6.3598 6.3598 8.7313 8.7313 8.7421 8.7421 9.7579 9.7579 9.7744 9.7744 k =-0.3708 0.5169 0.7420 ( 3300 PWs) bands (ev): -27.9340 -27.9340 -27.9340 -27.9340 -10.8285 -10.8285 -10.8284 -10.8284 -9.7952 -9.7952 -9.7521 -9.7521 -9.6088 -9.6088 -9.5630 -9.5630 -0.4792 -0.4792 -0.4654 -0.4654 4.6628 4.6628 4.6902 4.6902 6.3732 6.3732 6.3761 6.3761 8.7858 8.7858 8.7968 8.7968 9.6735 9.6735 9.6886 9.6886 k =-0.3784 0.4990 0.7420 ( 3302 PWs) bands (ev): -27.9341 -27.9341 -27.9341 -27.9341 -10.8286 -10.8286 -10.8284 -10.8284 -9.7947 -9.7947 -9.7539 -9.7539 -9.6057 -9.6057 -9.5619 -9.5619 -0.4748 -0.4748 -0.4612 -0.4612 4.6383 4.6383 4.6644 4.6644 6.3898 6.3898 6.3923 6.3923 8.8439 8.8439 8.8554 8.8554 9.5914 9.5914 9.6049 9.6049 k =-0.3860 0.4810 0.7420 ( 3302 PWs) bands (ev): -27.9342 -27.9342 -27.9342 -27.9342 -10.8287 -10.8287 -10.8284 -10.8284 -9.7941 -9.7941 -9.7556 -9.7556 -9.6025 -9.6025 -9.5610 -9.5610 -0.4705 -0.4705 -0.4573 -0.4573 4.6152 4.6152 4.6401 4.6401 6.4063 6.4063 6.4084 6.4084 8.9052 8.9052 8.9177 8.9177 9.5120 9.5120 9.5236 9.5236 k =-0.3936 0.4631 0.7420 ( 3302 PWs) bands (ev): -27.9342 -27.9342 -27.9342 -27.9342 -10.8287 -10.8287 -10.8283 -10.8283 -9.7935 -9.7935 -9.7573 -9.7573 -9.5994 -9.5994 -9.5602 -9.5602 -0.4664 -0.4664 -0.4536 -0.4536 4.5935 4.5935 4.6171 4.6171 6.4226 6.4226 6.4242 6.4242 8.9695 8.9695 8.9837 8.9837 9.4363 9.4363 9.4452 9.4452 k =-0.4012 0.4451 0.7420 ( 3294 PWs) bands (ev): -27.9343 -27.9343 -27.9343 -27.9343 -10.8288 -10.8288 -10.8283 -10.8283 -9.7928 -9.7928 -9.7590 -9.7590 -9.5964 -9.5964 -9.5596 -9.5596 -0.4625 -0.4625 -0.4502 -0.4502 4.5733 4.5733 4.5955 4.5955 6.4386 6.4386 6.4398 6.4398 9.0354 9.0354 9.0529 9.0529 9.3656 9.3656 9.3704 9.3704 k =-0.4088 0.4271 0.7420 ( 3290 PWs) bands (ev): -27.9343 -27.9343 -27.9343 -27.9343 -10.8288 -10.8288 -10.8283 -10.8283 -9.7920 -9.7920 -9.7606 -9.7606 -9.5934 -9.5934 -9.5590 -9.5590 -0.4589 -0.4589 -0.4471 -0.4471 4.5547 4.5547 4.5755 4.5755 6.4542 6.4542 6.4551 6.4551 9.0990 9.0990 9.1239 9.1239 9.3009 9.3009 9.3044 9.3044 k =-0.4164 0.4092 0.7420 ( 3298 PWs) bands (ev): -27.9344 -27.9344 -27.9344 -27.9344 -10.8289 -10.8289 -10.8283 -10.8283 -9.7911 -9.7911 -9.7622 -9.7622 -9.5904 -9.5904 -9.5587 -9.5587 -0.4554 -0.4554 -0.4443 -0.4443 4.5377 4.5377 4.5569 4.5569 6.4694 6.4694 6.4699 6.4699 9.1401 9.1401 9.1823 9.1823 9.2516 9.2516 9.2732 9.2732 k =-0.4240 0.3912 0.7420 ( 3298 PWs) bands (ev): -27.9344 -27.9344 -27.9344 -27.9344 -10.8289 -10.8289 -10.8283 -10.8283 -9.7902 -9.7902 -9.7638 -9.7638 -9.5875 -9.5875 -9.5584 -9.5584 -0.4522 -0.4522 -0.4418 -0.4418 4.5222 4.5222 4.5399 4.5399 6.4841 6.4841 6.4843 6.4843 9.1215 9.1215 9.1526 9.1526 9.2980 9.2980 9.3094 9.3094 k =-0.4316 0.3732 0.7420 ( 3300 PWs) bands (ev): -27.9344 -27.9344 -27.9344 -27.9344 -10.8289 -10.8289 -10.8284 -10.8284 -9.7892 -9.7892 -9.7653 -9.7653 -9.5847 -9.5847 -9.5583 -9.5583 -0.4492 -0.4492 -0.4396 -0.4396 4.5083 4.5083 4.5244 4.5244 6.4980 6.4980 6.4980 6.4980 9.0748 9.0748 9.0966 9.0966 9.3789 9.3789 9.3818 9.3818 k =-0.4392 0.3553 0.7420 ( 3300 PWs) bands (ev): -27.9345 -27.9345 -27.9345 -27.9345 -10.8289 -10.8289 -10.8284 -10.8284 -9.7882 -9.7882 -9.7669 -9.7669 -9.5820 -9.5820 -9.5584 -9.5584 -0.4464 -0.4464 -0.4378 -0.4378 4.4960 4.4960 4.5105 4.5105 6.5110 6.5110 6.5112 6.5112 9.0256 9.0256 9.0427 9.0427 9.4651 9.4651 9.4661 9.4661 k =-0.4468 0.3373 0.7420 ( 3312 PWs) bands (ev): -27.9345 -27.9345 -27.9345 -27.9345 -10.8289 -10.8289 -10.8284 -10.8284 -9.7871 -9.7871 -9.7684 -9.7684 -9.5794 -9.5794 -9.5587 -9.5587 -0.4439 -0.4439 -0.4362 -0.4362 4.4854 4.4854 4.4981 4.4981 6.5231 6.5231 6.5234 6.5234 8.9793 8.9793 8.9934 8.9934 9.5541 9.5541 9.5572 9.5572 k =-0.4544 0.3194 0.7420 ( 3316 PWs) bands (ev): -27.9346 -27.9346 -27.9346 -27.9346 -10.8289 -10.8289 -10.8284 -10.8284 -9.7860 -9.7860 -9.7699 -9.7699 -9.5770 -9.5770 -9.5591 -9.5591 -0.4416 -0.4416 -0.4349 -0.4349 4.4762 4.4762 4.4873 4.4873 6.5340 6.5340 6.5344 6.5344 8.9378 8.9378 8.9494 8.9494 9.6471 9.6471 9.6518 9.6518 k =-0.4620 0.3014 0.7420 ( 3320 PWs) bands (ev): -27.9346 -27.9346 -27.9346 -27.9346 -10.8289 -10.8289 -10.8285 -10.8285 -9.7848 -9.7848 -9.7714 -9.7714 -9.5746 -9.5746 -9.5596 -9.5596 -0.4396 -0.4396 -0.4340 -0.4340 4.4687 4.4687 4.4779 4.4779 6.5437 6.5437 6.5441 6.5441 8.9018 8.9018 8.9113 8.9113 9.7436 9.7436 9.7495 9.7495 k =-0.4696 0.2834 0.7420 ( 3336 PWs) bands (ev): -27.9346 -27.9346 -27.9346 -27.9346 -10.8288 -10.8288 -10.8285 -10.8285 -9.7836 -9.7836 -9.7728 -9.7728 -9.5724 -9.5724 -9.5604 -9.5604 -0.4379 -0.4379 -0.4333 -0.4333 4.4627 4.4627 4.4702 4.4702 6.5519 6.5519 6.5523 6.5523 8.8719 8.8719 8.8794 8.8794 9.8429 9.8429 9.8498 9.8498 k =-0.4772 0.2655 0.7420 ( 3332 PWs) bands (ev): -27.9346 -27.9346 -27.9346 -27.9346 -10.8288 -10.8288 -10.8285 -10.8285 -9.7823 -9.7823 -9.7743 -9.7743 -9.5703 -9.5703 -9.5613 -9.5613 -0.4364 -0.4364 -0.4329 -0.4329 4.4583 4.4583 4.4639 4.4639 6.5585 6.5585 6.5589 6.5589 8.8484 8.8484 8.8540 8.8540 9.9441 9.9441 9.9518 9.9518 k =-0.4848 0.2475 0.7420 ( 3322 PWs) bands (ev): -27.9346 -27.9346 -27.9346 -27.9346 -10.8288 -10.8288 -10.8286 -10.8286 -9.7811 -9.7811 -9.7757 -9.7757 -9.5684 -9.5684 -9.5624 -9.5624 -0.4351 -0.4351 -0.4328 -0.4328 4.4555 4.4555 4.4592 4.4592 6.5634 6.5634 6.5636 6.5636 8.8317 8.8317 8.8354 8.8354 10.0453 10.0453 10.0534 10.0534 k =-0.4924 0.2296 0.7420 ( 3318 PWs) bands (ev): -27.9346 -27.9346 -27.9346 -27.9346 -10.8287 -10.8287 -10.8286 -10.8286 -9.7798 -9.7798 -9.7771 -9.7771 -9.5667 -9.5667 -9.5636 -9.5636 -0.4341 -0.4341 -0.4330 -0.4330 4.4541 4.4541 4.4560 4.4560 6.5664 6.5664 6.5665 6.5665 8.8220 8.8220 8.8238 8.8238 10.1395 10.1395 10.1467 10.1467 k =-0.5000 0.2116 0.7420 ( 3312 PWs) bands (ev): -27.9346 -27.9346 -27.9346 -27.9346 -10.8287 -10.8287 -10.8287 -10.8287 -9.7784 -9.7784 -9.7784 -9.7784 -9.5651 -9.5651 -9.5651 -9.5651 -0.4334 -0.4334 -0.4334 -0.4334 4.4543 4.4543 4.4543 4.4543 6.5674 6.5674 6.5674 6.5674 8.8194 8.8194 8.8194 8.8194 10.1930 10.1930 10.1930 10.1930 k =-0.5000 0.2116 0.7420 ( 3312 PWs) bands (ev): -27.9346 -27.9346 -27.9346 -27.9346 -10.8287 -10.8287 -10.8287 -10.8287 -9.7784 -9.7784 -9.7784 -9.7784 -9.5651 -9.5651 -9.5651 -9.5651 -0.4334 -0.4334 -0.4334 -0.4334 4.4543 4.4543 4.4543 4.4543 6.5674 6.5674 6.5674 6.5674 8.8194 8.8194 8.8194 8.8194 10.1930 10.1930 10.1930 10.1930 k =-0.5000 0.2116 0.7225 ( 3314 PWs) bands (ev): -27.9349 -27.9349 -27.9344 -27.9344 -10.8293 -10.8293 -10.8279 -10.8279 -9.7808 -9.7808 -9.7758 -9.7758 -9.5669 -9.5669 -9.5633 -9.5633 -0.5249 -0.5249 -0.3409 -0.3409 4.3714 4.3714 4.5401 4.5401 6.5253 6.5253 6.6117 6.6117 8.7734 8.7734 8.8639 8.8639 10.1499 10.1499 10.2401 10.2401 k =-0.5000 0.2116 0.7030 ( 3314 PWs) bands (ev): -27.9352 -27.9352 -27.9341 -27.9341 -10.8298 -10.8298 -10.8269 -10.8269 -9.7829 -9.7829 -9.7729 -9.7729 -9.5689 -9.5689 -9.5616 -9.5616 -0.6151 -0.6151 -0.2476 -0.2476 4.2918 4.2918 4.6286 4.6286 6.4852 6.4852 6.6581 6.6581 8.7262 8.7262 8.9070 8.9070 10.1107 10.1107 10.2725 10.2725 k =-0.5000 0.2116 0.6834 ( 3314 PWs) bands (ev): -27.9356 -27.9356 -27.9339 -27.9339 -10.8301 -10.8301 -10.8257 -10.8257 -9.7847 -9.7847 -9.7697 -9.7697 -9.5708 -9.5708 -9.5599 -9.5599 -0.7039 -0.7039 -0.1538 -0.1538 4.2159 4.2159 4.7195 4.7195 6.4470 6.4470 6.7068 6.7068 8.6778 8.6778 8.9486 8.9486 10.0754 10.0754 10.2136 10.2136 k =-0.5000 0.2116 0.6639 ( 3314 PWs) bands (ev): -27.9360 -27.9360 -27.9337 -27.9337 -10.8302 -10.8302 -10.8244 -10.8244 -9.7862 -9.7862 -9.7662 -9.7662 -9.5729 -9.5729 -9.5583 -9.5583 -0.7912 -0.7912 -0.0596 -0.0596 4.1440 4.1440 4.8123 4.8123 6.4108 6.4108 6.7577 6.7577 8.6285 8.6285 8.9889 8.9889 10.0435 10.0435 10.1563 10.1563 k =-0.5000 0.2116 0.6444 ( 3314 PWs) bands (ev): -27.9363 -27.9363 -27.9336 -27.9336 -10.8301 -10.8301 -10.8229 -10.8229 -9.7874 -9.7874 -9.7626 -9.7626 -9.5750 -9.5750 -9.5568 -9.5568 -0.8768 -0.8768 0.0345 0.0345 4.0766 4.0766 4.9069 4.9069 6.3764 6.3764 6.8110 6.8110 8.5786 8.5786 9.0279 9.0279 10.0145 10.0145 10.1019 10.1019 k =-0.5000 0.2116 0.6249 ( 3306 PWs) bands (ev): -27.9367 -27.9367 -27.9334 -27.9334 -10.8298 -10.8298 -10.8212 -10.8212 -9.7883 -9.7883 -9.7586 -9.7586 -9.5771 -9.5771 -9.5554 -9.5554 -0.9606 -0.9606 0.1282 0.1282 4.0141 4.0141 5.0028 5.0028 6.3438 6.3438 6.8667 6.8667 8.5284 8.5284 9.0658 9.0658 9.9877 9.9877 10.0507 10.0507 k =-0.5000 0.2116 0.6053 ( 3314 PWs) bands (ev): -27.9372 -27.9372 -27.9333 -27.9333 -10.8294 -10.8294 -10.8195 -10.8195 -9.7890 -9.7890 -9.7545 -9.7545 -9.5793 -9.5793 -9.5541 -9.5541 -1.0425 -1.0425 0.2211 0.2211 3.9569 3.9569 5.0998 5.0998 6.3129 6.3129 6.9248 6.9248 8.4781 8.4781 9.1026 9.1026 9.9623 9.9623 10.0027 10.0027 k =-0.5000 0.2116 0.5858 ( 3298 PWs) bands (ev): -27.9376 -27.9376 -27.9332 -27.9332 -10.8288 -10.8288 -10.8176 -10.8176 -9.7893 -9.7893 -9.7501 -9.7501 -9.5816 -9.5816 -9.5528 -9.5528 -1.1224 -1.1224 0.3128 0.3128 3.9056 3.9056 5.1975 5.1975 6.2836 6.2836 6.9854 6.9854 8.4282 8.4282 9.1385 9.1385 9.9372 9.9372 9.9582 9.9582 k =-0.5000 0.2116 0.5663 ( 3302 PWs) bands (ev): -27.9381 -27.9381 -27.9332 -27.9332 -10.8281 -10.8281 -10.8155 -10.8155 -9.7894 -9.7894 -9.7456 -9.7456 -9.5839 -9.5839 -9.5516 -9.5516 -1.2002 -1.2002 0.4026 0.4026 3.8608 3.8608 5.2955 5.2955 6.2558 6.2558 7.0485 7.0485 8.3790 8.3790 9.1734 9.1734 9.9099 9.9099 9.9188 9.9188 k =-0.5000 0.2116 0.5467 ( 3298 PWs) bands (ev): -27.9385 -27.9385 -27.9331 -27.9331 -10.8273 -10.8273 -10.8134 -10.8134 -9.7891 -9.7891 -9.7409 -9.7409 -9.5862 -9.5862 -9.5505 -9.5505 -1.2759 -1.2759 0.4900 0.4900 3.8231 3.8231 5.3933 5.3933 6.2296 6.2296 7.1141 7.1141 8.3308 8.3308 9.2074 9.2074 9.8754 9.8754 9.8888 9.8888 k =-0.5000 0.2116 0.5272 ( 3292 PWs) bands (ev): -27.9390 -27.9390 -27.9331 -27.9331 -10.8263 -10.8263 -10.8112 -10.8112 -9.7886 -9.7886 -9.7360 -9.7360 -9.5885 -9.5885 -9.5495 -9.5495 -1.3494 -1.3494 0.5744 0.5744 3.7932 3.7932 5.4906 5.4906 6.2048 6.2048 7.1823 7.1823 8.2839 8.2839 9.2404 9.2404 9.8407 9.8407 9.8606 9.8606 k =-0.5000 0.2116 0.5077 ( 3284 PWs) bands (ev): -27.9395 -27.9395 -27.9331 -27.9331 -10.8252 -10.8252 -10.8090 -10.8090 -9.7878 -9.7878 -9.7310 -9.7310 -9.5908 -9.5908 -9.5486 -9.5486 -1.4206 -1.4206 0.6553 0.6553 3.7717 3.7717 5.5868 5.5868 6.1814 6.1814 7.2531 7.2531 8.2386 8.2386 9.2720 9.2720 9.8088 9.8088 9.8308 9.8308 k =-0.5000 0.2116 0.4882 ( 3286 PWs) bands (ev): -27.9400 -27.9400 -27.9331 -27.9331 -10.8239 -10.8239 -10.8067 -10.8067 -9.7868 -9.7868 -9.7258 -9.7258 -9.5932 -9.5932 -9.5477 -9.5477 -1.4895 -1.4895 0.7318 0.7318 3.7593 3.7593 5.6813 5.6813 6.1595 6.1595 7.3264 7.3264 8.1951 8.1951 9.3020 9.3020 9.7800 9.7800 9.7992 9.7992 k =-0.5000 0.2116 0.4686 ( 3294 PWs) bands (ev): -27.9405 -27.9405 -27.9332 -27.9332 -10.8226 -10.8226 -10.8043 -10.8043 -9.7854 -9.7854 -9.7206 -9.7206 -9.5955 -9.5955 -9.5470 -9.5470 -1.5561 -1.5561 0.8034 0.8034 3.7567 3.7567 5.7734 5.7734 6.1390 6.1390 7.4024 7.4024 8.1537 8.1537 9.3297 9.3297 9.7541 9.7541 9.7663 9.7663 k =-0.5000 0.2116 0.4491 ( 3302 PWs) bands (ev): -27.9410 -27.9410 -27.9332 -27.9332 -10.8213 -10.8213 -10.8020 -10.8020 -9.7839 -9.7839 -9.7154 -9.7154 -9.5978 -9.5978 -9.5463 -9.5463 -1.6202 -1.6202 0.8694 0.8694 3.7646 3.7646 5.8623 5.8623 6.1203 6.1203 7.4809 7.4809 8.1145 8.1145 9.3543 9.3543 9.7290 9.7290 9.7350 9.7350 k =-0.5000 0.2116 0.4296 ( 3302 PWs) bands (ev): -27.9416 -27.9416 -27.9333 -27.9333 -10.8198 -10.8198 -10.7996 -10.7996 -9.7821 -9.7821 -9.7101 -9.7101 -9.6000 -9.6000 -9.5457 -9.5457 -1.6818 -1.6818 0.9295 0.9295 3.7834 3.7834 5.9461 5.9461 6.1045 6.1045 7.5621 7.5621 8.0777 8.0777 9.3745 9.3745 9.6976 9.6976 9.7135 9.7135 k =-0.5000 0.2116 0.4101 ( 3294 PWs) bands (ev): -27.9421 -27.9421 -27.9334 -27.9334 -10.8183 -10.8183 -10.7972 -10.7972 -9.7800 -9.7800 -9.7049 -9.7049 -9.6021 -9.6021 -9.5453 -9.5453 -1.7410 -1.7410 0.9831 0.9831 3.8136 3.8136 6.0177 6.0177 6.0981 6.0981 7.6457 7.6457 8.0434 8.0434 9.3886 9.3886 9.6663 9.6663 9.6968 9.6968 k =-0.5000 0.2116 0.3905 ( 3298 PWs) bands (ev): -27.9426 -27.9426 -27.9335 -27.9335 -10.8168 -10.8168 -10.7949 -10.7949 -9.7778 -9.7778 -9.6998 -9.6998 -9.6041 -9.6041 -9.5449 -9.5449 -1.7976 -1.7976 1.0300 1.0300 3.8553 3.8553 6.0450 6.0450 6.1324 6.1324 7.7319 7.7319 8.0114 8.0114 9.3944 9.3944 9.6383 9.6383 9.6832 9.6832 k =-0.5000 0.2116 0.3710 ( 3294 PWs) bands (ev): -27.9431 -27.9431 -27.9336 -27.9336 -10.8152 -10.8152 -10.7926 -10.7926 -9.7753 -9.7753 -9.6948 -9.6948 -9.6059 -9.6059 -9.5447 -9.5447 -1.8517 -1.8517 1.0703 1.0703 3.9086 3.9086 6.0378 6.0378 6.1969 6.1969 7.8205 7.8205 7.9819 7.9819 9.3889 9.3889 9.6150 9.6150 9.6723 9.6723 k =-0.5000 0.2116 0.3515 ( 3294 PWs) bands (ev): -27.9436 -27.9436 -27.9337 -27.9337 -10.8137 -10.8137 -10.7903 -10.7903 -9.7727 -9.7727 -9.6900 -9.6900 -9.6075 -9.6075 -9.5445 -9.5445 -1.9031 -1.9031 1.1040 1.1040 3.9733 3.9733 6.0255 6.0255 6.2619 6.2619 7.9108 7.9108 7.9552 7.9552 9.3687 9.3687 9.5980 9.5980 9.6641 9.6641 k =-0.5000 0.2116 0.3320 ( 3298 PWs) bands (ev): -27.9441 -27.9441 -27.9338 -27.9338 -10.8121 -10.8121 -10.7881 -10.7881 -9.7699 -9.7699 -9.6856 -9.6856 -9.6087 -9.6087 -9.5445 -9.5445 -1.9520 -1.9520 1.1315 1.1315 4.0492 4.0492 6.0125 6.0125 6.3224 6.3224 7.9276 7.9276 8.0062 8.0062 9.3300 9.3300 9.5886 9.5886 9.6584 9.6584 k =-0.5000 0.2116 0.3124 ( 3298 PWs) bands (ev): -27.9445 -27.9445 -27.9339 -27.9339 -10.8106 -10.8106 -10.7860 -10.7860 -9.7669 -9.7669 -9.6816 -9.6816 -9.6096 -9.6096 -9.5446 -9.5446 -1.9981 -1.9981 1.1533 1.1533 4.1356 4.1356 5.9999 5.9999 6.3770 6.3770 7.9038 7.9038 8.1015 8.1015 9.2700 9.2700 9.5880 9.5880 9.6551 9.6551 k =-0.5000 0.2116 0.2929 ( 3304 PWs) bands (ev): -27.9450 -27.9450 -27.9340 -27.9340 -10.8091 -10.8091 -10.7840 -10.7840 -9.7639 -9.7639 -9.6781 -9.6781 -9.6100 -9.6100 -9.5448 -9.5448 -2.0416 -2.0416 1.1698 1.1698 4.2321 4.2321 5.9878 5.9878 6.4254 6.4254 7.8809 7.8809 8.1993 8.1993 9.1872 9.1872 9.5969 9.5969 9.6544 9.6544 k =-0.5000 0.2116 0.2734 ( 3302 PWs) bands (ev): -27.9454 -27.9454 -27.9342 -27.9342 -10.8076 -10.8076 -10.7821 -10.7821 -9.7607 -9.7607 -9.6753 -9.6753 -9.6099 -9.6099 -9.5452 -9.5452 -2.0825 -2.0825 1.1818 1.1818 4.3378 4.3378 5.9764 5.9764 6.4676 6.4676 7.8589 7.8589 8.2990 8.2990 9.0828 9.0828 9.6153 9.6153 9.6568 9.6568 k =-0.5000 0.2116 0.2538 ( 3300 PWs) bands (ev): -27.9459 -27.9459 -27.9343 -27.9343 -10.8062 -10.8062 -10.7803 -10.7803 -9.7574 -9.7574 -9.6731 -9.6731 -9.6091 -9.6091 -9.5457 -9.5457 -2.1205 -2.1205 1.1899 1.1899 4.4519 4.4519 5.9658 5.9658 6.5037 6.5037 7.8375 7.8375 8.4001 8.4001 8.9596 8.9596 9.6381 9.6381 9.6673 9.6673 k =-0.5000 0.2116 0.2343 ( 3304 PWs) bands (ev): -27.9463 -27.9463 -27.9344 -27.9344 -10.8048 -10.8048 -10.7786 -10.7786 -9.7541 -9.7541 -9.6717 -9.6717 -9.6077 -9.6077 -9.5464 -9.5464 -2.1559 -2.1559 1.1947 1.1947 4.5738 4.5738 5.9559 5.9559 6.5341 6.5341 7.8166 7.8166 8.5014 8.5014 8.8222 8.8222 9.6513 9.6513 9.6991 9.6991 k =-0.5000 0.2116 0.2148 ( 3294 PWs) bands (ev): -27.9466 -27.9466 -27.9345 -27.9345 -10.8035 -10.8035 -10.7770 -10.7770 -9.7507 -9.7507 -9.6711 -9.6711 -9.6057 -9.6057 -9.5472 -9.5472 -2.1885 -2.1885 1.1969 1.1969 4.7026 4.7026 5.9468 5.9468 6.5593 6.5593 7.7963 7.7963 8.5876 8.5876 8.6890 8.6890 9.6581 9.6581 9.7468 9.7468 k =-0.5000 0.2116 0.1953 ( 3298 PWs) bands (ev): -27.9470 -27.9470 -27.9346 -27.9346 -10.8023 -10.8023 -10.7755 -10.7755 -9.7473 -9.7473 -9.6710 -9.6710 -9.6032 -9.6032 -9.5482 -9.5482 -2.2183 -2.2183 1.1971 1.1971 4.8373 4.8373 5.9385 5.9385 6.5798 6.5798 7.7764 7.7764 8.4940 8.4940 8.7277 8.7277 9.6636 9.6636 9.7528 9.7528 k =-0.5000 0.2116 0.1757 ( 3298 PWs) bands (ev): -27.9473 -27.9473 -27.9348 -27.9348 -10.8012 -10.8012 -10.7742 -10.7742 -9.7440 -9.7440 -9.6716 -9.6716 -9.6002 -9.6002 -9.5494 -9.5494 -2.2453 -2.2453 1.1957 1.1957 4.9772 4.9772 5.9309 5.9309 6.5963 6.5963 7.7573 7.7573 8.3311 8.3311 8.8300 8.8300 9.6664 9.6664 9.7138 9.7138 k =-0.5000 0.2116 0.1562 ( 3282 PWs) bands (ev): -27.9476 -27.9476 -27.9349 -27.9349 -10.8002 -10.8002 -10.7730 -10.7730 -9.7407 -9.7407 -9.6726 -9.6726 -9.5969 -9.5969 -9.5507 -9.5507 -2.2696 -2.2696 1.1933 1.1933 5.1212 5.1212 5.9241 5.9241 6.6094 6.6094 7.7392 7.7392 8.1611 8.1611 8.9356 8.9356 9.6543 9.6543 9.6919 9.6919 k =-0.5000 0.2116 0.1367 ( 3274 PWs) bands (ev): -27.9479 -27.9479 -27.9350 -27.9350 -10.7993 -10.7993 -10.7719 -10.7719 -9.7375 -9.7375 -9.6739 -9.6739 -9.5934 -9.5934 -9.5523 -9.5523 -2.2910 -2.2910 1.1903 1.1903 5.2683 5.2683 5.9181 5.9181 6.6196 6.6196 7.7222 7.7222 7.9888 7.9888 9.0409 9.0409 9.6238 9.6238 9.6923 9.6923 k =-0.5000 0.2116 0.1172 ( 3270 PWs) bands (ev): -27.9481 -27.9481 -27.9350 -27.9350 -10.7984 -10.7984 -10.7710 -10.7710 -9.7345 -9.7345 -9.6754 -9.6754 -9.5898 -9.5898 -9.5540 -9.5540 -2.3095 -2.3095 1.1870 1.1870 5.4168 5.4168 5.9130 5.9130 6.6275 6.6275 7.7064 7.7064 7.8173 7.8173 9.1443 9.1443 9.5929 9.5929 9.6972 9.6972 k =-0.5000 0.2116 0.0976 ( 3274 PWs) bands (ev): -27.9483 -27.9483 -27.9351 -27.9351 -10.7978 -10.7978 -10.7702 -10.7702 -9.7317 -9.7317 -9.6769 -9.6769 -9.5861 -9.5861 -9.5560 -9.5560 -2.3253 -2.3253 1.1838 1.1838 5.5648 5.5648 5.9086 5.9086 6.6336 6.6336 7.6451 7.6451 7.6961 7.6961 9.2437 9.2437 9.5658 9.5658 9.7026 9.7026 k =-0.5000 0.2116 0.0781 ( 3274 PWs) bands (ev): -27.9484 -27.9484 -27.9352 -27.9352 -10.7972 -10.7972 -10.7695 -10.7695 -9.7291 -9.7291 -9.6785 -9.6785 -9.5825 -9.5825 -9.5582 -9.5582 -2.3381 -2.3381 1.1808 1.1808 5.7090 5.7090 5.9051 5.9051 6.6384 6.6384 7.4845 7.4845 7.6831 7.6831 9.3364 9.3364 9.5431 9.5431 9.7075 9.7075 k =-0.5000 0.2116 0.0586 ( 3276 PWs) bands (ev): -27.9486 -27.9486 -27.9352 -27.9352 -10.7967 -10.7967 -10.7690 -10.7690 -9.7270 -9.7270 -9.6799 -9.6799 -9.5789 -9.5789 -9.5605 -9.5605 -2.3482 -2.3482 1.1782 1.1782 5.8435 5.8435 5.9032 5.9032 6.6421 6.6421 7.3347 7.3347 7.6738 7.6738 9.4185 9.4185 9.5254 9.5254 9.7117 9.7117 k =-0.5000 0.2116 0.0391 ( 3276 PWs) bands (ev): -27.9487 -27.9487 -27.9352 -27.9352 -10.7964 -10.7964 -10.7687 -10.7687 -9.7254 -9.7254 -9.6810 -9.6810 -9.5755 -9.5755 -9.5631 -9.5631 -2.3553 -2.3553 1.1763 1.1763 5.8986 5.8986 5.9634 5.9634 6.6453 6.6453 7.2062 7.2062 7.6671 7.6671 9.4845 9.4845 9.5126 9.5126 9.7148 9.7148 k =-0.5000 0.2116 0.0195 ( 3264 PWs) bands (ev): -27.9487 -27.9487 -27.9353 -27.9353 -10.7962 -10.7962 -10.7685 -10.7685 -9.7243 -9.7243 -9.6818 -9.6818 -9.5722 -9.5722 -9.5658 -9.5658 -2.3596 -2.3596 1.1751 1.1751 5.8981 5.8981 6.0468 6.0468 6.6479 6.6479 7.1146 7.1146 7.6630 7.6630 9.5049 9.5049 9.5281 9.5281 9.7168 9.7168 k =-0.5000 0.2116 0.0000 ( 3260 PWs) bands (ev): -27.9487 -27.9487 -27.9353 -27.9353 -10.7962 -10.7962 -10.7684 -10.7684 -9.7240 -9.7240 -9.6820 -9.6820 -9.5699 -9.5699 -9.5679 -9.5679 -2.3611 -2.3611 1.1747 1.1747 5.8978 5.8978 6.0781 6.0781 6.6490 6.6490 7.0804 7.0804 7.6617 7.6617 9.5023 9.5023 9.5435 9.5435 9.7174 9.7174 k = 0.0000 0.0000 0.7420 ( 3320 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8115 -10.8115 -10.8115 -10.8115 -9.7223 -9.7223 -9.7223 -9.7223 -9.6367 -9.6367 -9.6367 -9.6367 -0.5745 -0.5745 -0.5745 -0.5745 5.2116 5.2116 5.2116 5.2116 6.2857 6.2857 6.2857 6.2857 7.6217 7.6217 7.6217 7.6217 10.3115 10.3115 10.3115 10.3115 k =-0.0179 0.0076 0.7420 ( 3312 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8116 -10.8116 -10.8116 -10.8116 -9.7226 -9.7226 -9.7226 -9.7226 -9.6364 -9.6364 -9.6364 -9.6364 -0.5741 -0.5741 -0.5741 -0.5741 5.2086 5.2086 5.2086 5.2086 6.2865 6.2865 6.2865 6.2865 7.6249 7.6249 7.6249 7.6249 10.3134 10.3134 10.3134 10.3134 k =-0.0357 0.0151 0.7420 ( 3312 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8117 -10.8117 -10.8117 -10.8117 -9.7236 -9.7236 -9.7236 -9.7236 -9.6353 -9.6353 -9.6353 -9.6353 -0.5728 -0.5728 -0.5728 -0.5728 5.1999 5.1999 5.1999 5.1999 6.2888 6.2888 6.2888 6.2888 7.6343 7.6343 7.6343 7.6343 10.3189 10.3189 10.3189 10.3189 k =-0.0536 0.0227 0.7420 ( 3308 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8120 -10.8120 -10.8120 -10.8120 -9.7251 -9.7251 -9.7251 -9.7251 -9.6335 -9.6335 -9.6335 -9.6335 -0.5708 -0.5708 -0.5708 -0.5708 5.1857 5.1857 5.1857 5.1857 6.2926 6.2926 6.2926 6.2926 7.6499 7.6499 7.6499 7.6499 10.3280 10.3280 10.3280 10.3280 k =-0.0714 0.0302 0.7420 ( 3308 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8124 -10.8124 -10.8124 -10.8124 -9.7272 -9.7272 -9.7272 -9.7272 -9.6311 -9.6311 -9.6311 -9.6311 -0.5679 -0.5679 -0.5679 -0.5679 5.1662 5.1662 5.1662 5.1662 6.2979 6.2979 6.2979 6.2979 7.6714 7.6714 7.6714 7.6714 10.3403 10.3403 10.3403 10.3403 k =-0.0893 0.0378 0.7420 ( 3314 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8128 -10.8128 -10.8128 -10.8128 -9.7296 -9.7296 -9.7296 -9.7296 -9.6283 -9.6283 -9.6283 -9.6283 -0.5643 -0.5643 -0.5643 -0.5643 5.1418 5.1418 5.1418 5.1418 6.3046 6.3046 6.3046 6.3046 7.6985 7.6985 7.6985 7.6985 10.3555 10.3555 10.3555 10.3555 k =-0.1071 0.0453 0.7420 ( 3314 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8134 -10.8134 -10.8134 -10.8134 -9.7323 -9.7323 -9.7323 -9.7323 -9.6250 -9.6250 -9.6250 -9.6250 -0.5600 -0.5600 -0.5600 -0.5600 5.1132 5.1132 5.1132 5.1132 6.3128 6.3128 6.3128 6.3128 7.7308 7.7308 7.7308 7.7308 10.3732 10.3732 10.3732 10.3732 k =-0.1250 0.0529 0.7420 ( 3318 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8140 -10.8140 -10.8140 -10.8140 -9.7353 -9.7353 -9.7353 -9.7353 -9.6215 -9.6215 -9.6215 -9.6215 -0.5550 -0.5550 -0.5550 -0.5550 5.0808 5.0808 5.0808 5.0808 6.3222 6.3222 6.3222 6.3222 7.7679 7.7679 7.7679 7.7679 10.3927 10.3927 10.3927 10.3927 k =-0.1429 0.0605 0.7420 ( 3314 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8148 -10.8148 -10.8148 -10.8148 -9.7384 -9.7384 -9.7384 -9.7384 -9.6177 -9.6177 -9.6177 -9.6177 -0.5493 -0.5493 -0.5493 -0.5493 5.0453 5.0453 5.0453 5.0453 6.3329 6.3329 6.3329 6.3329 7.8095 7.8095 7.8095 7.8095 10.4135 10.4135 10.4135 10.4135 k =-0.1607 0.0680 0.7420 ( 3306 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8156 -10.8156 -10.8156 -10.8156 -9.7415 -9.7415 -9.7415 -9.7415 -9.6138 -9.6138 -9.6138 -9.6138 -0.5431 -0.5431 -0.5431 -0.5431 5.0073 5.0073 5.0073 5.0073 6.3447 6.3447 6.3447 6.3447 7.8551 7.8551 7.8551 7.8551 10.4346 10.4346 10.4346 10.4346 k =-0.1786 0.0756 0.7420 ( 3306 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8164 -10.8164 -10.8164 -10.8164 -9.7447 -9.7447 -9.7447 -9.7447 -9.6099 -9.6099 -9.6099 -9.6099 -0.5364 -0.5364 -0.5364 -0.5364 4.9674 4.9674 4.9674 4.9674 6.3575 6.3575 6.3575 6.3575 7.9044 7.9044 7.9044 7.9044 10.4552 10.4552 10.4552 10.4552 k =-0.1964 0.0831 0.7420 ( 3300 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8173 -10.8173 -10.8173 -10.8173 -9.7479 -9.7479 -9.7479 -9.7479 -9.6059 -9.6059 -9.6059 -9.6059 -0.5293 -0.5293 -0.5293 -0.5293 4.9261 4.9261 4.9261 4.9261 6.3713 6.3713 6.3713 6.3713 7.9569 7.9569 7.9569 7.9569 10.4743 10.4743 10.4743 10.4743 k =-0.2143 0.0907 0.7420 ( 3296 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8182 -10.8182 -10.8182 -10.8182 -9.7510 -9.7510 -9.7510 -9.7510 -9.6019 -9.6019 -9.6019 -9.6019 -0.5218 -0.5218 -0.5218 -0.5218 4.8841 4.8841 4.8841 4.8841 6.3858 6.3858 6.3858 6.3858 8.0123 8.0123 8.0123 8.0123 10.4909 10.4909 10.4909 10.4909 k =-0.2321 0.0982 0.7420 ( 3292 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8192 -10.8192 -10.8192 -10.8192 -9.7541 -9.7541 -9.7541 -9.7541 -9.5980 -9.5980 -9.5980 -9.5980 -0.5141 -0.5141 -0.5141 -0.5141 4.8418 4.8418 4.8418 4.8418 6.4009 6.4009 6.4009 6.4009 8.0702 8.0702 8.0702 8.0702 10.5037 10.5037 10.5037 10.5037 k =-0.2500 0.1058 0.7420 ( 3288 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8201 -10.8201 -10.8201 -10.8201 -9.7570 -9.7570 -9.7570 -9.7570 -9.5942 -9.5942 -9.5942 -9.5942 -0.5063 -0.5063 -0.5063 -0.5063 4.7999 4.7999 4.7999 4.7999 6.4164 6.4164 6.4164 6.4164 8.1302 8.1302 8.1302 8.1302 10.5116 10.5116 10.5116 10.5116 k =-0.2679 0.1134 0.7420 ( 3280 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8211 -10.8211 -10.8211 -10.8211 -9.7598 -9.7598 -9.7598 -9.7598 -9.5906 -9.5906 -9.5906 -9.5906 -0.4984 -0.4984 -0.4984 -0.4984 4.7587 4.7587 4.7587 4.7587 6.4322 6.4322 6.4322 6.4322 8.1920 8.1920 8.1920 8.1920 10.5136 10.5136 10.5136 10.5136 k =-0.2857 0.1209 0.7420 ( 3288 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8220 -10.8220 -10.8220 -10.8220 -9.7624 -9.7624 -9.7624 -9.7624 -9.5871 -9.5871 -9.5871 -9.5871 -0.4905 -0.4905 -0.4905 -0.4905 4.7188 4.7188 4.7188 4.7188 6.4481 6.4481 6.4481 6.4481 8.2550 8.2550 8.2550 8.2550 10.5088 10.5088 10.5088 10.5088 k =-0.3036 0.1285 0.7420 ( 3296 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8230 -10.8230 -10.8230 -10.8230 -9.7649 -9.7649 -9.7649 -9.7649 -9.5838 -9.5838 -9.5838 -9.5838 -0.4828 -0.4828 -0.4828 -0.4828 4.6805 4.6805 4.6805 4.6805 6.4637 6.4637 6.4637 6.4637 8.3188 8.3188 8.3188 8.3188 10.4969 10.4969 10.4969 10.4969 k =-0.3214 0.1360 0.7420 ( 3300 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8239 -10.8239 -10.8239 -10.8239 -9.7672 -9.7672 -9.7672 -9.7672 -9.5807 -9.5807 -9.5807 -9.5807 -0.4753 -0.4753 -0.4753 -0.4753 4.6442 4.6442 4.6442 4.6442 6.4791 6.4791 6.4791 6.4791 8.3828 8.3828 8.3828 8.3828 10.4776 10.4776 10.4776 10.4776 k =-0.3393 0.1436 0.7420 ( 3296 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8247 -10.8247 -10.8247 -10.8247 -9.7692 -9.7692 -9.7692 -9.7692 -9.5778 -9.5778 -9.5778 -9.5778 -0.4681 -0.4681 -0.4681 -0.4681 4.6103 4.6103 4.6103 4.6103 6.4938 6.4938 6.4938 6.4938 8.4465 8.4465 8.4465 8.4465 10.4516 10.4516 10.4516 10.4516 k =-0.3571 0.1511 0.7420 ( 3296 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8255 -10.8255 -10.8255 -10.8255 -9.7711 -9.7711 -9.7711 -9.7711 -9.5752 -9.5752 -9.5752 -9.5752 -0.4614 -0.4614 -0.4614 -0.4614 4.5791 4.5791 4.5791 4.5791 6.5078 6.5078 6.5078 6.5078 8.5090 8.5090 8.5090 8.5090 10.4199 10.4199 10.4199 10.4199 k =-0.3750 0.1587 0.7420 ( 3294 PWs) bands (ev): -27.9347 -27.9347 -27.9347 -27.9347 -10.8262 -10.8262 -10.8262 -10.8262 -9.7728 -9.7728 -9.7728 -9.7728 -9.5729 -9.5729 -9.5729 -9.5729 -0.4553 -0.4553 -0.4553 -0.4553 4.5509 4.5509 4.5509 4.5509 6.5207 6.5207 6.5207 6.5207 8.5695 8.5695 8.5695 8.5695 10.3839 10.3839 10.3839 10.3839 k =-0.3929 0.1662 0.7420 ( 3290 PWs) bands (ev): -27.9346 -27.9346 -27.9346 -27.9346 -10.8268 -10.8268 -10.8268 -10.8268 -9.7743 -9.7743 -9.7743 -9.7743 -9.5709 -9.5709 -9.5709 -9.5709 -0.4498 -0.4498 -0.4498 -0.4498 4.5260 4.5260 4.5260 4.5260 6.5324 6.5324 6.5324 6.5324 8.6268 8.6268 8.6268 8.6268 10.3455 10.3455 10.3455 10.3455 k =-0.4107 0.1738 0.7420 ( 3302 PWs) bands (ev): -27.9346 -27.9346 -27.9346 -27.9346 -10.8274 -10.8274 -10.8274 -10.8274 -9.7755 -9.7755 -9.7755 -9.7755 -9.5691 -9.5691 -9.5691 -9.5691 -0.4449 -0.4449 -0.4449 -0.4449 4.5045 4.5045 4.5045 4.5045 6.5427 6.5427 6.5427 6.5427 8.6795 8.6795 8.6795 8.6795 10.3070 10.3070 10.3070 10.3070 k =-0.4286 0.1814 0.7420 ( 3310 PWs) bands (ev): -27.9346 -27.9346 -27.9346 -27.9346 -10.8278 -10.8278 -10.8278 -10.8278 -9.7766 -9.7766 -9.7766 -9.7766 -9.5677 -9.5677 -9.5677 -9.5677 -0.4409 -0.4409 -0.4409 -0.4409 4.4866 4.4866 4.4866 4.4866 6.5514 6.5514 6.5514 6.5514 8.7262 8.7262 8.7262 8.7262 10.2707 10.2707 10.2707 10.2707 k =-0.4464 0.1889 0.7420 ( 3310 PWs) bands (ev): -27.9346 -27.9346 -27.9346 -27.9346 -10.8282 -10.8282 -10.8282 -10.8282 -9.7774 -9.7774 -9.7774 -9.7774 -9.5665 -9.5665 -9.5665 -9.5665 -0.4377 -0.4377 -0.4377 -0.4377 4.4726 4.4726 4.4726 4.4726 6.5583 6.5583 6.5583 6.5583 8.7652 8.7652 8.7652 8.7652 10.2390 10.2390 10.2390 10.2390 k =-0.4643 0.1965 0.7420 ( 3306 PWs) bands (ev): -27.9346 -27.9346 -27.9346 -27.9346 -10.8285 -10.8285 -10.8285 -10.8285 -9.7780 -9.7780 -9.7780 -9.7780 -9.5657 -9.5657 -9.5657 -9.5657 -0.4353 -0.4353 -0.4353 -0.4353 4.4624 4.4624 4.4624 4.4624 6.5633 6.5633 6.5633 6.5633 8.7946 8.7946 8.7946 8.7946 10.2142 10.2142 10.2142 10.2142 k =-0.4821 0.2040 0.7420 ( 3314 PWs) bands (ev): -27.9346 -27.9346 -27.9346 -27.9346 -10.8286 -10.8286 -10.8286 -10.8286 -9.7783 -9.7783 -9.7783 -9.7783 -9.5652 -9.5652 -9.5652 -9.5652 -0.4339 -0.4339 -0.4339 -0.4339 4.4563 4.4563 4.4563 4.4563 6.5664 6.5664 6.5664 6.5664 8.8131 8.8131 8.8131 8.8131 10.1984 10.1984 10.1984 10.1984 k =-0.5000 0.2116 0.7420 ( 3312 PWs) bands (ev): -27.9346 -27.9346 -27.9346 -27.9346 -10.8287 -10.8287 -10.8287 -10.8287 -9.7784 -9.7784 -9.7784 -9.7784 -9.5651 -9.5651 -9.5651 -9.5651 -0.4334 -0.4334 -0.4334 -0.4334 4.4543 4.4543 4.4543 4.4543 6.5674 6.5674 6.5674 6.5674 8.8194 8.8194 8.8194 8.8194 10.1930 10.1930 10.1930 10.1930 Writing output data file SrGe.save init_run : 1.24s CPU 1.37s WALL ( 1 calls) electrons : 96.93s CPU 98.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 96.92s CPU 98.68s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 382 calls) cegterg : 87.72s CPU 89.00s WALL ( 533 calls) Called by sum_band: Called by *egterg: h_psi : 46.90s CPU 47.91s WALL ( 8568 calls) s_psi : 2.75s CPU 2.78s WALL ( 8568 calls) g_psi : 0.14s CPU 0.16s WALL ( 7653 calls) cdiaghg : 36.28s CPU 36.70s WALL ( 8035 calls) cegterg:over : 2.97s CPU 3.00s WALL ( 7653 calls) cegterg:upda : 2.25s CPU 2.39s WALL ( 7653 calls) cegterg:last : 1.35s CPU 1.33s WALL ( 1317 calls) cdiaghg:chol : 2.11s CPU 1.93s WALL ( 8035 calls) cdiaghg:inve : 1.03s CPU 1.06s WALL ( 8035 calls) cdiaghg:para : 1.93s CPU 2.06s WALL ( 16070 calls) Called by h_psi: h_psi:vloc : 41.41s CPU 42.30s WALL ( 8568 calls) h_psi:vnl : 5.36s CPU 5.49s WALL ( 8568 calls) add_vuspsi : 2.87s CPU 2.81s WALL ( 8568 calls) General routines calbec : 2.46s CPU 2.66s WALL ( 8568 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 37.79s CPU 38.40s WALL ( 629220 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.18s WALL ( 764 calls) Parallel routines fft_scatter : 15.92s CPU 16.32s WALL ( 629243 calls) PWSCF : 1m49.90s CPU 2m 3.46s WALL This run was terminated on: 18:55:43 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=