Program PWSCF v.5.1.1 starts on 21Jul2015 at 5: 4: 5 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SrSi.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 42 28 8 1120 604 98 Max 43 29 9 1123 627 101 Sum 2041 1379 407 53815 29531 4735 bravais-lattice index = 14 lattice parameter (alat) = 11.6421 a.u. unit-cell volume = 748.0341 (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 = 44.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.642071 celldm(2)= 1.000000 celldm(3)= 0.657715 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.693181 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.693181 0.720763 0.000000 ) a(3) = ( 0.000000 0.000000 0.657715 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.961732 -0.000000 ) b(2) = ( 0.000000 1.387418 -0.000000 ) b(3) = ( 0.000000 0.000000 1.520414 ) PseudoPot. # 1 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: fdd4f0c14d34ff7e95251eb8672b2767 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 1141 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: /home/autes/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 Si 4.00 28.08550 Si( 1.00) Sr 10.00 87.62000 Sr( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3288577 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3288577 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 388 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0075718 0.0177874 -0.0000000), wk = 0.0025773 k( 3) = ( 0.0151437 0.0355748 -0.0000000), wk = 0.0025773 k( 4) = ( 0.0227156 0.0533622 -0.0000000), wk = 0.0025773 k( 5) = ( 0.0302874 0.0711497 -0.0000000), wk = 0.0025773 k( 6) = ( 0.0378592 0.0889371 -0.0000000), wk = 0.0025773 k( 7) = ( 0.0454311 0.1067245 -0.0000000), wk = 0.0025773 k( 8) = ( 0.0530029 0.1245119 -0.0000000), wk = 0.0025773 k( 9) = ( 0.0605748 0.1422993 -0.0000000), wk = 0.0025773 k( 10) = ( 0.0681466 0.1600867 -0.0000000), wk = 0.0025773 k( 11) = ( 0.0757185 0.1778741 -0.0000000), wk = 0.0025773 k( 12) = ( 0.0832903 0.1956615 -0.0000000), wk = 0.0025773 k( 13) = ( 0.0908622 0.2134490 -0.0000000), wk = 0.0025773 k( 14) = ( 0.0984340 0.2312363 -0.0000000), wk = 0.0025773 k( 15) = ( 0.1060059 0.2490238 -0.0000000), wk = 0.0025773 k( 16) = ( 0.1135777 0.2668112 -0.0000000), wk = 0.0025773 k( 17) = ( 0.1211496 0.2845986 -0.0000000), wk = 0.0025773 k( 18) = ( 0.1287214 0.3023860 -0.0000000), wk = 0.0025773 k( 19) = ( 0.1362933 0.3201734 -0.0000000), wk = 0.0025773 k( 20) = ( 0.1438651 0.3379608 -0.0000000), wk = 0.0025773 k( 21) = ( 0.1514370 0.3557482 -0.0000000), wk = 0.0025773 k( 22) = ( 0.1590088 0.3735356 -0.0000000), wk = 0.0025773 k( 23) = ( 0.1665807 0.3913231 -0.0000000), wk = 0.0025773 k( 24) = ( 0.1741525 0.4091105 -0.0000000), wk = 0.0025773 k( 25) = ( 0.1817244 0.4268979 -0.0000000), wk = 0.0025773 k( 26) = ( 0.1892962 0.4446853 -0.0000000), wk = 0.0025773 k( 27) = ( 0.1968681 0.4624727 -0.0000000), wk = 0.0025773 k( 28) = ( 0.2044399 0.4802601 -0.0000000), wk = 0.0025773 k( 29) = ( 0.2120118 0.4980475 -0.0000000), wk = 0.0025773 k( 30) = ( 0.2195836 0.5158349 -0.0000000), wk = 0.0025773 k( 31) = ( 0.2271555 0.5336223 -0.0000000), wk = 0.0025773 k( 32) = ( 0.2347273 0.5514098 -0.0000000), wk = 0.0025773 k( 33) = ( 0.2422992 0.5691972 -0.0000000), wk = 0.0025773 k( 34) = ( 0.2498710 0.5869846 -0.0000000), wk = 0.0025773 k( 35) = ( 0.2574429 0.6047720 -0.0000000), wk = 0.0025773 k( 36) = ( 0.2650147 0.6225594 -0.0000000), wk = 0.0025773 k( 37) = ( 0.2725866 0.6403468 -0.0000000), wk = 0.0025773 k( 38) = ( 0.2801584 0.6581342 -0.0000000), wk = 0.0025773 k( 39) = ( 0.2877303 0.6759216 -0.0000000), wk = 0.0025773 k( 40) = ( 0.2953021 0.6937091 -0.0000000), wk = 0.0025773 k( 41) = ( 0.2953021 0.6937091 -0.0000000), wk = 0.0025773 k( 42) = ( 0.2768457 0.6937091 -0.0000000), wk = 0.0025773 k( 43) = ( 0.2583893 0.6937091 -0.0000000), wk = 0.0025773 k( 44) = ( 0.2399330 0.6937091 -0.0000000), wk = 0.0025773 k( 45) = ( 0.2214766 0.6937091 -0.0000000), wk = 0.0025773 k( 46) = ( 0.2030202 0.6937090 -0.0000000), wk = 0.0025773 k( 47) = ( 0.1845638 0.6937091 -0.0000000), wk = 0.0025773 k( 48) = ( 0.1661074 0.6937091 -0.0000000), wk = 0.0025773 k( 49) = ( 0.1476511 0.6937091 -0.0000000), wk = 0.0025773 k( 50) = ( 0.1291947 0.6937091 -0.0000000), wk = 0.0025773 k( 51) = ( 0.1107383 0.6937091 -0.0000000), wk = 0.0025773 k( 52) = ( 0.0922819 0.6937091 -0.0000000), wk = 0.0025773 k( 53) = ( 0.0738255 0.6937091 -0.0000000), wk = 0.0025773 k( 54) = ( 0.0553691 0.6937091 -0.0000000), wk = 0.0025773 k( 55) = ( 0.0369128 0.6937091 -0.0000000), wk = 0.0025773 k( 56) = ( 0.0184564 0.6937091 -0.0000000), wk = 0.0025773 k( 57) = ( 0.0000000 0.6937091 -0.0000000), wk = 0.0025773 k( 58) = ( 0.0000000 0.6937091 -0.0000000), wk = 0.0025773 k( 59) = ( 0.0000000 0.6937091 0.0194925), wk = 0.0025773 k( 60) = ( 0.0000000 0.6937091 0.0389850), wk = 0.0025773 k( 61) = ( 0.0000000 0.6937091 0.0584775), wk = 0.0025773 k( 62) = ( 0.0000000 0.6937091 0.0779700), wk = 0.0025773 k( 63) = ( 0.0000000 0.6937091 0.0974625), wk = 0.0025773 k( 64) = ( 0.0000000 0.6937091 0.1169550), wk = 0.0025773 k( 65) = ( 0.0000000 0.6937091 0.1364474), wk = 0.0025773 k( 66) = ( 0.0000000 0.6937091 0.1559399), wk = 0.0025773 k( 67) = ( 0.0000000 0.6937091 0.1754324), wk = 0.0025773 k( 68) = ( 0.0000000 0.6937091 0.1949249), wk = 0.0025773 k( 69) = ( 0.0000000 0.6937091 0.2144174), wk = 0.0025773 k( 70) = ( 0.0000000 0.6937091 0.2339099), wk = 0.0025773 k( 71) = ( 0.0000000 0.6937091 0.2534024), wk = 0.0025773 k( 72) = ( 0.0000000 0.6937091 0.2728949), wk = 0.0025773 k( 73) = ( 0.0000000 0.6937091 0.2923874), wk = 0.0025773 k( 74) = ( 0.0000000 0.6937091 0.3118799), wk = 0.0025773 k( 75) = ( 0.0000000 0.6937091 0.3313724), wk = 0.0025773 k( 76) = ( 0.0000000 0.6937091 0.3508649), wk = 0.0025773 k( 77) = ( 0.0000000 0.6937091 0.3703574), wk = 0.0025773 k( 78) = ( 0.0000000 0.6937091 0.3898499), wk = 0.0025773 k( 79) = ( 0.0000000 0.6937091 0.4093423), wk = 0.0025773 k( 80) = ( 0.0000000 0.6937091 0.4288348), wk = 0.0025773 k( 81) = ( 0.0000000 0.6937091 0.4483273), wk = 0.0025773 k( 82) = ( 0.0000000 0.6937091 0.4678198), wk = 0.0025773 k( 83) = ( 0.0000000 0.6937091 0.4873123), wk = 0.0025773 k( 84) = ( 0.0000000 0.6937091 0.5068048), wk = 0.0025773 k( 85) = ( 0.0000000 0.6937091 0.5262973), wk = 0.0025773 k( 86) = ( 0.0000000 0.6937091 0.5457898), wk = 0.0025773 k( 87) = ( 0.0000000 0.6937091 0.5652823), wk = 0.0025773 k( 88) = ( 0.0000000 0.6937091 0.5847748), wk = 0.0025773 k( 89) = ( 0.0000000 0.6937091 0.6042673), wk = 0.0025773 k( 90) = ( 0.0000000 0.6937091 0.6237598), wk = 0.0025773 k( 91) = ( 0.0000000 0.6937091 0.6432522), wk = 0.0025773 k( 92) = ( 0.0000000 0.6937091 0.6627448), wk = 0.0025773 k( 93) = ( 0.0000000 0.6937091 0.6822372), wk = 0.0025773 k( 94) = ( 0.0000000 0.6937091 0.7017297), wk = 0.0025773 k( 95) = ( 0.0000000 0.6937091 0.7212222), wk = 0.0025773 k( 96) = ( 0.0000000 0.6937091 0.7407147), wk = 0.0025773 k( 97) = ( 0.0000000 0.6937091 0.7602072), wk = 0.0025773 k( 98) = ( 0.0000000 0.6937091 0.7602072), wk = 0.0025773 k( 99) = ( 0.0184564 0.6937091 0.7602072), wk = 0.0025773 k( 100) = ( 0.0369128 0.6937091 0.7602072), wk = 0.0025773 k( 101) = ( 0.0553691 0.6937091 0.7602072), wk = 0.0025773 k( 102) = ( 0.0738255 0.6937091 0.7602072), wk = 0.0025773 k( 103) = ( 0.0922819 0.6937091 0.7602072), wk = 0.0025773 k( 104) = ( 0.1107383 0.6937091 0.7602072), wk = 0.0025773 k( 105) = ( 0.1291947 0.6937091 0.7602072), wk = 0.0025773 k( 106) = ( 0.1476511 0.6937091 0.7602072), wk = 0.0025773 k( 107) = ( 0.1661074 0.6937091 0.7602072), wk = 0.0025773 k( 108) = ( 0.1845638 0.6937091 0.7602072), wk = 0.0025773 k( 109) = ( 0.2030202 0.6937090 0.7602072), wk = 0.0025773 k( 110) = ( 0.2214766 0.6937091 0.7602072), wk = 0.0025773 k( 111) = ( 0.2399330 0.6937091 0.7602072), wk = 0.0025773 k( 112) = ( 0.2583893 0.6937091 0.7602072), wk = 0.0025773 k( 113) = ( 0.2768457 0.6937091 0.7602072), wk = 0.0025773 k( 114) = ( 0.2953021 0.6937091 0.7602072), wk = 0.0025773 k( 115) = ( 0.2953021 0.6937091 0.7602072), wk = 0.0025773 k( 116) = ( 0.2877303 0.6759216 0.7602072), wk = 0.0025773 k( 117) = ( 0.2801584 0.6581342 0.7602072), wk = 0.0025773 k( 118) = ( 0.2725866 0.6403468 0.7602072), wk = 0.0025773 k( 119) = ( 0.2650147 0.6225594 0.7602072), wk = 0.0025773 k( 120) = ( 0.2574429 0.6047720 0.7602072), wk = 0.0025773 k( 121) = ( 0.2498710 0.5869846 0.7602072), wk = 0.0025773 k( 122) = ( 0.2422992 0.5691972 0.7602072), wk = 0.0025773 k( 123) = ( 0.2347273 0.5514098 0.7602072), wk = 0.0025773 k( 124) = ( 0.2271555 0.5336223 0.7602072), wk = 0.0025773 k( 125) = ( 0.2195836 0.5158349 0.7602072), wk = 0.0025773 k( 126) = ( 0.2120118 0.4980475 0.7602072), wk = 0.0025773 k( 127) = ( 0.2044399 0.4802601 0.7602072), wk = 0.0025773 k( 128) = ( 0.1968681 0.4624727 0.7602072), wk = 0.0025773 k( 129) = ( 0.1892962 0.4446853 0.7602072), wk = 0.0025773 k( 130) = ( 0.1817244 0.4268979 0.7602072), wk = 0.0025773 k( 131) = ( 0.1741525 0.4091105 0.7602072), wk = 0.0025773 k( 132) = ( 0.1665807 0.3913231 0.7602072), wk = 0.0025773 k( 133) = ( 0.1590088 0.3735356 0.7602072), wk = 0.0025773 k( 134) = ( 0.1514370 0.3557482 0.7602072), wk = 0.0025773 k( 135) = ( 0.1438651 0.3379608 0.7602072), wk = 0.0025773 k( 136) = ( 0.1362933 0.3201734 0.7602072), wk = 0.0025773 k( 137) = ( 0.1287214 0.3023860 0.7602072), wk = 0.0025773 k( 138) = ( 0.1211496 0.2845986 0.7602072), wk = 0.0025773 k( 139) = ( 0.1135777 0.2668112 0.7602072), wk = 0.0025773 k( 140) = ( 0.1060059 0.2490238 0.7602072), wk = 0.0025773 k( 141) = ( 0.0984340 0.2312363 0.7602072), wk = 0.0025773 k( 142) = ( 0.0908622 0.2134490 0.7602072), wk = 0.0025773 k( 143) = ( 0.0832903 0.1956615 0.7602072), wk = 0.0025773 k( 144) = ( 0.0757185 0.1778741 0.7602072), wk = 0.0025773 k( 145) = ( 0.0681466 0.1600867 0.7602072), wk = 0.0025773 k( 146) = ( 0.0605748 0.1422993 0.7602072), wk = 0.0025773 k( 147) = ( 0.0530029 0.1245119 0.7602072), wk = 0.0025773 k( 148) = ( 0.0454311 0.1067245 0.7602072), wk = 0.0025773 k( 149) = ( 0.0378592 0.0889371 0.7602072), wk = 0.0025773 k( 150) = ( 0.0302874 0.0711497 0.7602072), wk = 0.0025773 k( 151) = ( 0.0227156 0.0533622 0.7602072), wk = 0.0025773 k( 152) = ( 0.0151437 0.0355748 0.7602072), wk = 0.0025773 k( 153) = ( 0.0075718 0.0177874 0.7602072), wk = 0.0025773 k( 154) = ( 0.0000000 0.0000000 0.7602072), wk = 0.0025773 k( 155) = ( 0.0000000 0.0000000 0.7602072), wk = 0.0025773 k( 156) = ( 0.0000000 0.0000000 0.7407147), wk = 0.0025773 k( 157) = ( 0.0000000 0.0000000 0.7212222), wk = 0.0025773 k( 158) = ( 0.0000000 0.0000000 0.7017297), wk = 0.0025773 k( 159) = ( 0.0000000 0.0000000 0.6822372), wk = 0.0025773 k( 160) = ( 0.0000000 0.0000000 0.6627448), wk = 0.0025773 k( 161) = ( 0.0000000 0.0000000 0.6432522), wk = 0.0025773 k( 162) = ( 0.0000000 0.0000000 0.6237598), wk = 0.0025773 k( 163) = ( 0.0000000 0.0000000 0.6042673), wk = 0.0025773 k( 164) = ( 0.0000000 0.0000000 0.5847748), wk = 0.0025773 k( 165) = ( 0.0000000 0.0000000 0.5652823), wk = 0.0025773 k( 166) = ( 0.0000000 0.0000000 0.5457898), wk = 0.0025773 k( 167) = ( 0.0000000 0.0000000 0.5262973), wk = 0.0025773 k( 168) = ( 0.0000000 0.0000000 0.5068048), wk = 0.0025773 k( 169) = ( 0.0000000 0.0000000 0.4873123), wk = 0.0025773 k( 170) = ( 0.0000000 0.0000000 0.4678198), wk = 0.0025773 k( 171) = ( 0.0000000 0.0000000 0.4483273), wk = 0.0025773 k( 172) = ( 0.0000000 0.0000000 0.4288348), wk = 0.0025773 k( 173) = ( 0.0000000 0.0000000 0.4093423), wk = 0.0025773 k( 174) = ( 0.0000000 0.0000000 0.3898499), wk = 0.0025773 k( 175) = ( 0.0000000 0.0000000 0.3703574), wk = 0.0025773 k( 176) = ( 0.0000000 0.0000000 0.3508649), wk = 0.0025773 k( 177) = ( 0.0000000 0.0000000 0.3313724), wk = 0.0025773 k( 178) = ( 0.0000000 0.0000000 0.3118799), wk = 0.0025773 k( 179) = ( 0.0000000 0.0000000 0.2923874), wk = 0.0025773 k( 180) = ( 0.0000000 0.0000000 0.2728949), wk = 0.0025773 k( 181) = ( 0.0000000 0.0000000 0.2534024), wk = 0.0025773 k( 182) = ( 0.0000000 0.0000000 0.2339099), wk = 0.0025773 k( 183) = ( 0.0000000 0.0000000 0.2144174), wk = 0.0025773 k( 184) = ( 0.0000000 0.0000000 0.1949249), wk = 0.0025773 k( 185) = ( 0.0000000 0.0000000 0.1754324), wk = 0.0025773 k( 186) = ( 0.0000000 0.0000000 0.1559399), wk = 0.0025773 k( 187) = ( 0.0000000 0.0000000 0.1364474), wk = 0.0025773 k( 188) = ( 0.0000000 0.0000000 0.1169550), wk = 0.0025773 k( 189) = ( 0.0000000 0.0000000 0.0974625), wk = 0.0025773 k( 190) = ( 0.0000000 0.0000000 0.0779700), wk = 0.0025773 k( 191) = ( 0.0000000 0.0000000 0.0584775), wk = 0.0025773 k( 192) = ( 0.0000000 0.0000000 0.0389850), wk = 0.0025773 k( 193) = ( 0.0000000 0.0000000 0.0194925), wk = 0.0025773 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 196) = ( -0.0178571 0.0076015 0.0000000), wk = 0.0025773 k( 197) = ( -0.0357143 0.0152031 0.0000000), wk = 0.0025773 k( 198) = ( -0.0535714 0.0228046 0.0000000), wk = 0.0025773 k( 199) = ( -0.0714286 0.0304061 0.0000000), wk = 0.0025773 k( 200) = ( -0.0892857 0.0380077 0.0000000), wk = 0.0025773 k( 201) = ( -0.1071429 0.0456092 0.0000000), wk = 0.0025773 k( 202) = ( -0.1250000 0.0532107 0.0000000), wk = 0.0025773 k( 203) = ( -0.1428571 0.0608123 0.0000000), wk = 0.0025773 k( 204) = ( -0.1607143 0.0684138 0.0000000), wk = 0.0025773 k( 205) = ( -0.1785714 0.0760153 0.0000000), wk = 0.0025773 k( 206) = ( -0.1964286 0.0836169 0.0000000), wk = 0.0025773 k( 207) = ( -0.2142857 0.0912184 0.0000000), wk = 0.0025773 k( 208) = ( -0.2321429 0.0988199 0.0000000), wk = 0.0025773 k( 209) = ( -0.2500000 0.1064215 0.0000000), wk = 0.0025773 k( 210) = ( -0.2678571 0.1140230 0.0000000), wk = 0.0025773 k( 211) = ( -0.2857143 0.1216245 0.0000000), wk = 0.0025773 k( 212) = ( -0.3035714 0.1292260 0.0000000), wk = 0.0025773 k( 213) = ( -0.3214286 0.1368276 0.0000000), wk = 0.0025773 k( 214) = ( -0.3392857 0.1444291 0.0000000), wk = 0.0025773 k( 215) = ( -0.3571429 0.1520306 0.0000000), wk = 0.0025773 k( 216) = ( -0.3750000 0.1596322 0.0000000), wk = 0.0025773 k( 217) = ( -0.3928571 0.1672337 0.0000000), wk = 0.0025773 k( 218) = ( -0.4107143 0.1748352 0.0000000), wk = 0.0025773 k( 219) = ( -0.4285714 0.1824368 0.0000000), wk = 0.0025773 k( 220) = ( -0.4464286 0.1900383 0.0000000), wk = 0.0025773 k( 221) = ( -0.4642857 0.1976398 0.0000000), wk = 0.0025773 k( 222) = ( -0.4821429 0.2052414 0.0000000), wk = 0.0025773 k( 223) = ( -0.5000000 0.2128429 0.0000000), wk = 0.0025773 k( 224) = ( -0.5000000 0.2128429 0.0000000), wk = 0.0025773 k( 225) = ( -0.4924186 0.2306528 -0.0000000), wk = 0.0025773 k( 226) = ( -0.4848372 0.2484626 -0.0000000), wk = 0.0025773 k( 227) = ( -0.4772558 0.2662725 -0.0000000), wk = 0.0025773 k( 228) = ( -0.4696744 0.2840823 -0.0000000), wk = 0.0025773 k( 229) = ( -0.4620930 0.3018922 -0.0000000), wk = 0.0025773 k( 230) = ( -0.4545116 0.3197020 -0.0000000), wk = 0.0025773 k( 231) = ( -0.4469302 0.3375119 -0.0000000), wk = 0.0025773 k( 232) = ( -0.4393488 0.3553218 -0.0000000), wk = 0.0025773 k( 233) = ( -0.4317674 0.3731316 -0.0000000), wk = 0.0025773 k( 234) = ( -0.4241860 0.3909415 -0.0000000), wk = 0.0025773 k( 235) = ( -0.4166046 0.4087513 -0.0000000), wk = 0.0025773 k( 236) = ( -0.4090232 0.4265612 -0.0000000), wk = 0.0025773 k( 237) = ( -0.4014417 0.4443711 -0.0000000), wk = 0.0025773 k( 238) = ( -0.3938604 0.4621809 -0.0000000), wk = 0.0025773 k( 239) = ( -0.3862790 0.4799908 -0.0000000), wk = 0.0025773 k( 240) = ( -0.3786975 0.4978006 -0.0000000), wk = 0.0025773 k( 241) = ( -0.3711161 0.5156105 -0.0000000), wk = 0.0025773 k( 242) = ( -0.3635347 0.5334204 -0.0000000), wk = 0.0025773 k( 243) = ( -0.3559533 0.5512302 -0.0000000), wk = 0.0025773 k( 244) = ( -0.3483719 0.5690401 -0.0000000), wk = 0.0025773 k( 245) = ( -0.3407905 0.5868499 -0.0000000), wk = 0.0025773 k( 246) = ( -0.3332091 0.6046598 -0.0000000), wk = 0.0025773 k( 247) = ( -0.3256277 0.6224696 -0.0000000), wk = 0.0025773 k( 248) = ( -0.3180463 0.6402795 -0.0000000), wk = 0.0025773 k( 249) = ( -0.3104649 0.6580893 -0.0000000), wk = 0.0025773 k( 250) = ( -0.3028835 0.6758992 -0.0000000), wk = 0.0025773 k( 251) = ( -0.2953021 0.6937091 -0.0000000), wk = 0.0025773 k( 252) = ( -0.2953021 0.6937091 -0.0000000), wk = 0.0025773 k( 253) = ( -0.2953021 0.6937091 0.0194925), wk = 0.0025773 k( 254) = ( -0.2953021 0.6937091 0.0389850), wk = 0.0025773 k( 255) = ( -0.2953021 0.6937091 0.0584775), wk = 0.0025773 k( 256) = ( -0.2953021 0.6937091 0.0779700), wk = 0.0025773 k( 257) = ( -0.2953021 0.6937091 0.0974625), wk = 0.0025773 k( 258) = ( -0.2953021 0.6937091 0.1169550), wk = 0.0025773 k( 259) = ( -0.2953021 0.6937091 0.1364474), wk = 0.0025773 k( 260) = ( -0.2953021 0.6937091 0.1559399), wk = 0.0025773 k( 261) = ( -0.2953021 0.6937091 0.1754324), wk = 0.0025773 k( 262) = ( -0.2953021 0.6937091 0.1949249), wk = 0.0025773 k( 263) = ( -0.2953021 0.6937091 0.2144174), wk = 0.0025773 k( 264) = ( -0.2953021 0.6937091 0.2339099), wk = 0.0025773 k( 265) = ( -0.2953021 0.6937091 0.2534024), wk = 0.0025773 k( 266) = ( -0.2953021 0.6937091 0.2728949), wk = 0.0025773 k( 267) = ( -0.2953021 0.6937091 0.2923874), wk = 0.0025773 k( 268) = ( -0.2953021 0.6937091 0.3118799), wk = 0.0025773 k( 269) = ( -0.2953021 0.6937091 0.3313724), wk = 0.0025773 k( 270) = ( -0.2953021 0.6937091 0.3508649), wk = 0.0025773 k( 271) = ( -0.2953021 0.6937091 0.3703574), wk = 0.0025773 k( 272) = ( -0.2953021 0.6937091 0.3898499), wk = 0.0025773 k( 273) = ( -0.2953021 0.6937091 0.4093423), wk = 0.0025773 k( 274) = ( -0.2953021 0.6937091 0.4288348), wk = 0.0025773 k( 275) = ( -0.2953021 0.6937091 0.4483273), wk = 0.0025773 k( 276) = ( -0.2953021 0.6937091 0.4678198), wk = 0.0025773 k( 277) = ( -0.2953021 0.6937091 0.4873123), wk = 0.0025773 k( 278) = ( -0.2953021 0.6937091 0.5068048), wk = 0.0025773 k( 279) = ( -0.2953021 0.6937091 0.5262973), wk = 0.0025773 k( 280) = ( -0.2953021 0.6937091 0.5457898), wk = 0.0025773 k( 281) = ( -0.2953021 0.6937091 0.5652823), wk = 0.0025773 k( 282) = ( -0.2953021 0.6937091 0.5847748), wk = 0.0025773 k( 283) = ( -0.2953021 0.6937091 0.6042673), wk = 0.0025773 k( 284) = ( -0.2953021 0.6937091 0.6237598), wk = 0.0025773 k( 285) = ( -0.2953021 0.6937091 0.6432522), wk = 0.0025773 k( 286) = ( -0.2953021 0.6937091 0.6627448), wk = 0.0025773 k( 287) = ( -0.2953021 0.6937091 0.6822372), wk = 0.0025773 k( 288) = ( -0.2953021 0.6937091 0.7017297), wk = 0.0025773 k( 289) = ( -0.2953021 0.6937091 0.7212222), wk = 0.0025773 k( 290) = ( -0.2953021 0.6937091 0.7407147), wk = 0.0025773 k( 291) = ( -0.2953021 0.6937091 0.7602072), wk = 0.0025773 k( 292) = ( -0.2953021 0.6937091 0.7602072), wk = 0.0025773 k( 293) = ( -0.3028835 0.6758992 0.7602072), wk = 0.0025773 k( 294) = ( -0.3104649 0.6580893 0.7602072), wk = 0.0025773 k( 295) = ( -0.3180463 0.6402795 0.7602072), wk = 0.0025773 k( 296) = ( -0.3256277 0.6224696 0.7602072), wk = 0.0025773 k( 297) = ( -0.3332091 0.6046598 0.7602072), wk = 0.0025773 k( 298) = ( -0.3407905 0.5868499 0.7602072), wk = 0.0025773 k( 299) = ( -0.3483719 0.5690401 0.7602072), wk = 0.0025773 k( 300) = ( -0.3559533 0.5512302 0.7602072), wk = 0.0025773 k( 301) = ( -0.3635347 0.5334204 0.7602072), wk = 0.0025773 k( 302) = ( -0.3711161 0.5156105 0.7602072), wk = 0.0025773 k( 303) = ( -0.3786975 0.4978006 0.7602072), wk = 0.0025773 k( 304) = ( -0.3862790 0.4799908 0.7602072), wk = 0.0025773 k( 305) = ( -0.3938604 0.4621809 0.7602072), wk = 0.0025773 k( 306) = ( -0.4014417 0.4443711 0.7602072), wk = 0.0025773 k( 307) = ( -0.4090232 0.4265612 0.7602072), wk = 0.0025773 k( 308) = ( -0.4166046 0.4087513 0.7602072), wk = 0.0025773 k( 309) = ( -0.4241860 0.3909415 0.7602072), wk = 0.0025773 k( 310) = ( -0.4317674 0.3731316 0.7602072), wk = 0.0025773 k( 311) = ( -0.4393488 0.3553218 0.7602072), wk = 0.0025773 k( 312) = ( -0.4469302 0.3375119 0.7602072), wk = 0.0025773 k( 313) = ( -0.4545116 0.3197020 0.7602072), wk = 0.0025773 k( 314) = ( -0.4620930 0.3018922 0.7602072), wk = 0.0025773 k( 315) = ( -0.4696744 0.2840823 0.7602072), wk = 0.0025773 k( 316) = ( -0.4772558 0.2662725 0.7602072), wk = 0.0025773 k( 317) = ( -0.4848372 0.2484626 0.7602072), wk = 0.0025773 k( 318) = ( -0.4924186 0.2306528 0.7602072), wk = 0.0025773 k( 319) = ( -0.5000000 0.2128429 0.7602072), wk = 0.0025773 k( 320) = ( -0.5000000 0.2128429 0.7602072), wk = 0.0025773 k( 321) = ( -0.5000000 0.2128429 0.7407147), wk = 0.0025773 k( 322) = ( -0.5000000 0.2128429 0.7212222), wk = 0.0025773 k( 323) = ( -0.5000000 0.2128429 0.7017297), wk = 0.0025773 k( 324) = ( -0.5000000 0.2128429 0.6822372), wk = 0.0025773 k( 325) = ( -0.5000000 0.2128429 0.6627448), wk = 0.0025773 k( 326) = ( -0.5000000 0.2128429 0.6432522), wk = 0.0025773 k( 327) = ( -0.5000000 0.2128429 0.6237598), wk = 0.0025773 k( 328) = ( -0.5000000 0.2128429 0.6042673), wk = 0.0025773 k( 329) = ( -0.5000000 0.2128429 0.5847748), wk = 0.0025773 k( 330) = ( -0.5000000 0.2128429 0.5652823), wk = 0.0025773 k( 331) = ( -0.5000000 0.2128429 0.5457898), wk = 0.0025773 k( 332) = ( -0.5000000 0.2128429 0.5262973), wk = 0.0025773 k( 333) = ( -0.5000000 0.2128429 0.5068048), wk = 0.0025773 k( 334) = ( -0.5000000 0.2128429 0.4873123), wk = 0.0025773 k( 335) = ( -0.5000000 0.2128429 0.4678198), wk = 0.0025773 k( 336) = ( -0.5000000 0.2128429 0.4483273), wk = 0.0025773 k( 337) = ( -0.5000000 0.2128429 0.4288348), wk = 0.0025773 k( 338) = ( -0.5000000 0.2128429 0.4093423), wk = 0.0025773 k( 339) = ( -0.5000000 0.2128429 0.3898499), wk = 0.0025773 k( 340) = ( -0.5000000 0.2128429 0.3703574), wk = 0.0025773 k( 341) = ( -0.5000000 0.2128429 0.3508649), wk = 0.0025773 k( 342) = ( -0.5000000 0.2128429 0.3313724), wk = 0.0025773 k( 343) = ( -0.5000000 0.2128429 0.3118799), wk = 0.0025773 k( 344) = ( -0.5000000 0.2128429 0.2923874), wk = 0.0025773 k( 345) = ( -0.5000000 0.2128429 0.2728949), wk = 0.0025773 k( 346) = ( -0.5000000 0.2128429 0.2534024), wk = 0.0025773 k( 347) = ( -0.5000000 0.2128429 0.2339099), wk = 0.0025773 k( 348) = ( -0.5000000 0.2128429 0.2144174), wk = 0.0025773 k( 349) = ( -0.5000000 0.2128429 0.1949249), wk = 0.0025773 k( 350) = ( -0.5000000 0.2128429 0.1754324), wk = 0.0025773 k( 351) = ( -0.5000000 0.2128429 0.1559399), wk = 0.0025773 k( 352) = ( -0.5000000 0.2128429 0.1364474), wk = 0.0025773 k( 353) = ( -0.5000000 0.2128429 0.1169550), wk = 0.0025773 k( 354) = ( -0.5000000 0.2128429 0.0974625), wk = 0.0025773 k( 355) = ( -0.5000000 0.2128429 0.0779700), wk = 0.0025773 k( 356) = ( -0.5000000 0.2128429 0.0584775), wk = 0.0025773 k( 357) = ( -0.5000000 0.2128429 0.0389850), wk = 0.0025773 k( 358) = ( -0.5000000 0.2128429 0.0194925), wk = 0.0025773 k( 359) = ( -0.5000000 0.2128429 0.0000000), wk = 0.0025773 k( 360) = ( 0.0000000 0.0000000 0.7602072), wk = 0.0025773 k( 361) = ( -0.0178571 0.0076015 0.7602072), wk = 0.0025773 k( 362) = ( -0.0357143 0.0152031 0.7602072), wk = 0.0025773 k( 363) = ( -0.0535714 0.0228046 0.7602072), wk = 0.0025773 k( 364) = ( -0.0714286 0.0304061 0.7602072), wk = 0.0025773 k( 365) = ( -0.0892857 0.0380077 0.7602072), wk = 0.0025773 k( 366) = ( -0.1071429 0.0456092 0.7602072), wk = 0.0025773 k( 367) = ( -0.1250000 0.0532107 0.7602072), wk = 0.0025773 k( 368) = ( -0.1428571 0.0608123 0.7602072), wk = 0.0025773 k( 369) = ( -0.1607143 0.0684138 0.7602072), wk = 0.0025773 k( 370) = ( -0.1785714 0.0760153 0.7602072), wk = 0.0025773 k( 371) = ( -0.1964286 0.0836169 0.7602072), wk = 0.0025773 k( 372) = ( -0.2142857 0.0912184 0.7602072), wk = 0.0025773 k( 373) = ( -0.2321429 0.0988199 0.7602072), wk = 0.0025773 k( 374) = ( -0.2500000 0.1064215 0.7602072), wk = 0.0025773 k( 375) = ( -0.2678571 0.1140230 0.7602072), wk = 0.0025773 k( 376) = ( -0.2857143 0.1216245 0.7602072), wk = 0.0025773 k( 377) = ( -0.3035714 0.1292260 0.7602072), wk = 0.0025773 k( 378) = ( -0.3214286 0.1368276 0.7602072), wk = 0.0025773 k( 379) = ( -0.3392857 0.1444291 0.7602072), wk = 0.0025773 k( 380) = ( -0.3571429 0.1520306 0.7602072), wk = 0.0025773 k( 381) = ( -0.3750000 0.1596322 0.7602072), wk = 0.0025773 k( 382) = ( -0.3928571 0.1672337 0.7602072), wk = 0.0025773 k( 383) = ( -0.4107143 0.1748352 0.7602072), wk = 0.0025773 k( 384) = ( -0.4285714 0.1824368 0.7602072), wk = 0.0025773 k( 385) = ( -0.4464286 0.1900383 0.7602072), wk = 0.0025773 k( 386) = ( -0.4642857 0.1976398 0.7602072), wk = 0.0025773 k( 387) = ( -0.4821429 0.2052414 0.7602072), wk = 0.0025773 k( 388) = ( -0.5000000 0.2128429 0.7602072), wk = 0.0025773 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0075718 0.0075718 0.0000000), wk = 0.0025773 k( 3) = ( 0.0151437 0.0151437 0.0000000), wk = 0.0025773 k( 4) = ( 0.0227156 0.0227156 0.0000000), wk = 0.0025773 k( 5) = ( 0.0302874 0.0302874 0.0000000), wk = 0.0025773 k( 6) = ( 0.0378592 0.0378592 0.0000000), wk = 0.0025773 k( 7) = ( 0.0454311 0.0454311 0.0000000), wk = 0.0025773 k( 8) = ( 0.0530029 0.0530029 0.0000000), wk = 0.0025773 k( 9) = ( 0.0605748 0.0605748 0.0000000), wk = 0.0025773 k( 10) = ( 0.0681466 0.0681466 0.0000000), wk = 0.0025773 k( 11) = ( 0.0757185 0.0757185 0.0000000), wk = 0.0025773 k( 12) = ( 0.0832903 0.0832903 0.0000000), wk = 0.0025773 k( 13) = ( 0.0908622 0.0908622 0.0000000), wk = 0.0025773 k( 14) = ( 0.0984340 0.0984340 -0.0000000), wk = 0.0025773 k( 15) = ( 0.1060059 0.1060059 0.0000000), wk = 0.0025773 k( 16) = ( 0.1135777 0.1135777 0.0000000), wk = 0.0025773 k( 17) = ( 0.1211496 0.1211496 0.0000000), wk = 0.0025773 k( 18) = ( 0.1287214 0.1287214 0.0000000), wk = 0.0025773 k( 19) = ( 0.1362933 0.1362933 0.0000000), wk = 0.0025773 k( 20) = ( 0.1438651 0.1438651 0.0000000), wk = 0.0025773 k( 21) = ( 0.1514370 0.1514370 0.0000000), wk = 0.0025773 k( 22) = ( 0.1590088 0.1590088 0.0000000), wk = 0.0025773 k( 23) = ( 0.1665807 0.1665807 0.0000000), wk = 0.0025773 k( 24) = ( 0.1741525 0.1741525 -0.0000000), wk = 0.0025773 k( 25) = ( 0.1817244 0.1817244 0.0000000), wk = 0.0025773 k( 26) = ( 0.1892962 0.1892962 0.0000000), wk = 0.0025773 k( 27) = ( 0.1968681 0.1968681 0.0000000), wk = 0.0025773 k( 28) = ( 0.2044399 0.2044399 -0.0000000), wk = 0.0025773 k( 29) = ( 0.2120118 0.2120118 0.0000000), wk = 0.0025773 k( 30) = ( 0.2195836 0.2195836 0.0000000), wk = 0.0025773 k( 31) = ( 0.2271555 0.2271555 0.0000000), wk = 0.0025773 k( 32) = ( 0.2347273 0.2347273 0.0000000), wk = 0.0025773 k( 33) = ( 0.2422992 0.2422992 0.0000000), wk = 0.0025773 k( 34) = ( 0.2498710 0.2498710 -0.0000000), wk = 0.0025773 k( 35) = ( 0.2574429 0.2574429 0.0000000), wk = 0.0025773 k( 36) = ( 0.2650147 0.2650147 0.0000000), wk = 0.0025773 k( 37) = ( 0.2725866 0.2725866 0.0000000), wk = 0.0025773 k( 38) = ( 0.2801584 0.2801584 0.0000000), wk = 0.0025773 k( 39) = ( 0.2877303 0.2877302 0.0000000), wk = 0.0025773 k( 40) = ( 0.2953021 0.2953021 0.0000000), wk = 0.0025773 k( 41) = ( 0.2953021 0.2953021 0.0000000), wk = 0.0025773 k( 42) = ( 0.2768457 0.3080957 0.0000000), wk = 0.0025773 k( 43) = ( 0.2583893 0.3208893 0.0000000), wk = 0.0025773 k( 44) = ( 0.2399330 0.3336830 -0.0000000), wk = 0.0025773 k( 45) = ( 0.2214766 0.3464766 0.0000000), wk = 0.0025773 k( 46) = ( 0.2030202 0.3592702 0.0000000), wk = 0.0025773 k( 47) = ( 0.1845638 0.3720638 0.0000000), wk = 0.0025773 k( 48) = ( 0.1661074 0.3848574 0.0000000), wk = 0.0025773 k( 49) = ( 0.1476511 0.3976510 0.0000000), wk = 0.0025773 k( 50) = ( 0.1291947 0.4104447 0.0000000), wk = 0.0025773 k( 51) = ( 0.1107383 0.4232383 -0.0000000), wk = 0.0025773 k( 52) = ( 0.0922819 0.4360319 0.0000000), wk = 0.0025773 k( 53) = ( 0.0738255 0.4488255 0.0000000), wk = 0.0025773 k( 54) = ( 0.0553691 0.4616191 0.0000000), wk = 0.0025773 k( 55) = ( 0.0369128 0.4744128 -0.0000000), wk = 0.0025773 k( 56) = ( 0.0184564 0.4872064 0.0000000), wk = 0.0025773 k( 57) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025773 k( 58) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025773 k( 59) = ( 0.0000000 0.5000000 0.0128205), wk = 0.0025773 k( 60) = ( 0.0000000 0.5000000 0.0256410), wk = 0.0025773 k( 61) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0025773 k( 62) = ( 0.0000000 0.5000000 0.0512821), wk = 0.0025773 k( 63) = ( 0.0000000 0.5000000 0.0641026), wk = 0.0025773 k( 64) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0025773 k( 65) = ( 0.0000000 0.5000000 0.0897436), wk = 0.0025773 k( 66) = ( 0.0000000 0.5000000 0.1025641), wk = 0.0025773 k( 67) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0025773 k( 68) = ( 0.0000000 0.5000000 0.1282051), wk = 0.0025773 k( 69) = ( 0.0000000 0.5000000 0.1410256), wk = 0.0025773 k( 70) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0025773 k( 71) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0025773 k( 72) = ( 0.0000000 0.5000000 0.1794872), wk = 0.0025773 k( 73) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0025773 k( 74) = ( 0.0000000 0.5000000 0.2051282), wk = 0.0025773 k( 75) = ( 0.0000000 0.5000000 0.2179487), wk = 0.0025773 k( 76) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0025773 k( 77) = ( 0.0000000 0.5000000 0.2435897), wk = 0.0025773 k( 78) = ( 0.0000000 0.5000000 0.2564103), wk = 0.0025773 k( 79) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0025773 k( 80) = ( 0.0000000 0.5000000 0.2820513), wk = 0.0025773 k( 81) = ( 0.0000000 0.5000000 0.2948718), wk = 0.0025773 k( 82) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0025773 k( 83) = ( 0.0000000 0.5000000 0.3205128), wk = 0.0025773 k( 84) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0025773 k( 85) = ( 0.0000000 0.5000000 0.3461539), wk = 0.0025773 k( 86) = ( 0.0000000 0.5000000 0.3589744), wk = 0.0025773 k( 87) = ( 0.0000000 0.5000000 0.3717949), wk = 0.0025773 k( 88) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0025773 k( 89) = ( 0.0000000 0.5000000 0.3974359), wk = 0.0025773 k( 90) = ( 0.0000000 0.5000000 0.4102564), wk = 0.0025773 k( 91) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0025773 k( 92) = ( 0.0000000 0.5000000 0.4358974), wk = 0.0025773 k( 93) = ( 0.0000000 0.5000000 0.4487180), wk = 0.0025773 k( 94) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0025773 k( 95) = ( 0.0000000 0.5000000 0.4743590), wk = 0.0025773 k( 96) = ( 0.0000000 0.5000000 0.4871795), wk = 0.0025773 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025773 k( 98) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025773 k( 99) = ( 0.0184564 0.4872064 0.5000000), wk = 0.0025773 k( 100) = ( 0.0369128 0.4744128 0.5000000), wk = 0.0025773 k( 101) = ( 0.0553691 0.4616191 0.5000000), wk = 0.0025773 k( 102) = ( 0.0738255 0.4488255 0.5000000), wk = 0.0025773 k( 103) = ( 0.0922819 0.4360319 0.5000000), wk = 0.0025773 k( 104) = ( 0.1107383 0.4232383 0.5000000), wk = 0.0025773 k( 105) = ( 0.1291947 0.4104447 0.5000000), wk = 0.0025773 k( 106) = ( 0.1476511 0.3976510 0.5000000), wk = 0.0025773 k( 107) = ( 0.1661074 0.3848574 0.5000000), wk = 0.0025773 k( 108) = ( 0.1845638 0.3720638 0.5000000), wk = 0.0025773 k( 109) = ( 0.2030202 0.3592702 0.5000000), wk = 0.0025773 k( 110) = ( 0.2214766 0.3464766 0.5000000), wk = 0.0025773 k( 111) = ( 0.2399330 0.3336830 0.5000000), wk = 0.0025773 k( 112) = ( 0.2583893 0.3208893 0.5000000), wk = 0.0025773 k( 113) = ( 0.2768457 0.3080957 0.5000000), wk = 0.0025773 k( 114) = ( 0.2953021 0.2953021 0.5000000), wk = 0.0025773 k( 115) = ( 0.2953021 0.2953021 0.5000000), wk = 0.0025773 k( 116) = ( 0.2877303 0.2877302 0.5000000), wk = 0.0025773 k( 117) = ( 0.2801584 0.2801584 0.5000000), wk = 0.0025773 k( 118) = ( 0.2725866 0.2725866 0.5000000), wk = 0.0025773 k( 119) = ( 0.2650147 0.2650147 0.5000000), wk = 0.0025773 k( 120) = ( 0.2574429 0.2574429 0.5000000), wk = 0.0025773 k( 121) = ( 0.2498710 0.2498710 0.5000000), wk = 0.0025773 k( 122) = ( 0.2422992 0.2422992 0.5000000), wk = 0.0025773 k( 123) = ( 0.2347273 0.2347273 0.5000000), wk = 0.0025773 k( 124) = ( 0.2271555 0.2271555 0.5000000), wk = 0.0025773 k( 125) = ( 0.2195836 0.2195836 0.5000000), wk = 0.0025773 k( 126) = ( 0.2120118 0.2120118 0.5000000), wk = 0.0025773 k( 127) = ( 0.2044399 0.2044399 0.5000000), wk = 0.0025773 k( 128) = ( 0.1968681 0.1968681 0.5000000), wk = 0.0025773 k( 129) = ( 0.1892962 0.1892962 0.5000000), wk = 0.0025773 k( 130) = ( 0.1817244 0.1817244 0.5000000), wk = 0.0025773 k( 131) = ( 0.1741525 0.1741525 0.5000000), wk = 0.0025773 k( 132) = ( 0.1665807 0.1665807 0.5000000), wk = 0.0025773 k( 133) = ( 0.1590088 0.1590088 0.5000000), wk = 0.0025773 k( 134) = ( 0.1514370 0.1514370 0.5000000), wk = 0.0025773 k( 135) = ( 0.1438651 0.1438651 0.5000000), wk = 0.0025773 k( 136) = ( 0.1362933 0.1362933 0.5000000), wk = 0.0025773 k( 137) = ( 0.1287214 0.1287214 0.5000000), wk = 0.0025773 k( 138) = ( 0.1211496 0.1211496 0.5000000), wk = 0.0025773 k( 139) = ( 0.1135777 0.1135777 0.5000000), wk = 0.0025773 k( 140) = ( 0.1060059 0.1060059 0.5000000), wk = 0.0025773 k( 141) = ( 0.0984340 0.0984340 0.5000000), wk = 0.0025773 k( 142) = ( 0.0908622 0.0908622 0.5000000), wk = 0.0025773 k( 143) = ( 0.0832903 0.0832903 0.5000000), wk = 0.0025773 k( 144) = ( 0.0757185 0.0757185 0.5000000), wk = 0.0025773 k( 145) = ( 0.0681466 0.0681466 0.5000000), wk = 0.0025773 k( 146) = ( 0.0605748 0.0605748 0.5000000), wk = 0.0025773 k( 147) = ( 0.0530029 0.0530029 0.5000000), wk = 0.0025773 k( 148) = ( 0.0454311 0.0454311 0.5000000), wk = 0.0025773 k( 149) = ( 0.0378592 0.0378592 0.5000000), wk = 0.0025773 k( 150) = ( 0.0302874 0.0302874 0.5000000), wk = 0.0025773 k( 151) = ( 0.0227156 0.0227156 0.5000000), wk = 0.0025773 k( 152) = ( 0.0151437 0.0151437 0.5000000), wk = 0.0025773 k( 153) = ( 0.0075718 0.0075718 0.5000000), wk = 0.0025773 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 156) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0025773 k( 157) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0025773 k( 158) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0025773 k( 159) = ( 0.0000000 0.0000000 0.4487180), wk = 0.0025773 k( 160) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0025773 k( 161) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0025773 k( 162) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0025773 k( 163) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0025773 k( 164) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0025773 k( 165) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0025773 k( 166) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0025773 k( 167) = ( 0.0000000 0.0000000 0.3461539), wk = 0.0025773 k( 168) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025773 k( 169) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0025773 k( 170) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0025773 k( 171) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0025773 k( 172) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0025773 k( 173) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0025773 k( 174) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0025773 k( 175) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0025773 k( 176) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0025773 k( 177) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0025773 k( 178) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0025773 k( 179) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0025773 k( 180) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0025773 k( 181) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025773 k( 182) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0025773 k( 183) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0025773 k( 184) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0025773 k( 185) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0025773 k( 186) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0025773 k( 187) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0025773 k( 188) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0025773 k( 189) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0025773 k( 190) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0025773 k( 191) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0025773 k( 192) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0025773 k( 193) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0025773 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 196) = ( -0.0178571 0.0178571 -0.0000000), wk = 0.0025773 k( 197) = ( -0.0357143 0.0357143 -0.0000000), wk = 0.0025773 k( 198) = ( -0.0535714 0.0535714 -0.0000000), wk = 0.0025773 k( 199) = ( -0.0714286 0.0714286 -0.0000000), wk = 0.0025773 k( 200) = ( -0.0892857 0.0892857 -0.0000000), wk = 0.0025773 k( 201) = ( -0.1071429 0.1071429 -0.0000000), wk = 0.0025773 k( 202) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0025773 k( 203) = ( -0.1428571 0.1428571 -0.0000000), wk = 0.0025773 k( 204) = ( -0.1607143 0.1607143 -0.0000000), wk = 0.0025773 k( 205) = ( -0.1785714 0.1785714 -0.0000000), wk = 0.0025773 k( 206) = ( -0.1964286 0.1964286 -0.0000000), wk = 0.0025773 k( 207) = ( -0.2142857 0.2142857 -0.0000000), wk = 0.0025773 k( 208) = ( -0.2321429 0.2321429 -0.0000000), wk = 0.0025773 k( 209) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0025773 k( 210) = ( -0.2678571 0.2678571 0.0000000), wk = 0.0025773 k( 211) = ( -0.2857143 0.2857143 -0.0000000), wk = 0.0025773 k( 212) = ( -0.3035714 0.3035714 -0.0000000), wk = 0.0025773 k( 213) = ( -0.3214286 0.3214286 -0.0000000), wk = 0.0025773 k( 214) = ( -0.3392857 0.3392857 -0.0000000), wk = 0.0025773 k( 215) = ( -0.3571429 0.3571429 -0.0000000), wk = 0.0025773 k( 216) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0025773 k( 217) = ( -0.3928571 0.3928571 -0.0000000), wk = 0.0025773 k( 218) = ( -0.4107143 0.4107143 -0.0000000), wk = 0.0025773 k( 219) = ( -0.4285714 0.4285714 -0.0000000), wk = 0.0025773 k( 220) = ( -0.4464286 0.4464286 -0.0000000), wk = 0.0025773 k( 221) = ( -0.4642857 0.4642857 -0.0000000), wk = 0.0025773 k( 222) = ( -0.4821429 0.4821429 -0.0000000), wk = 0.0025773 k( 223) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0025773 k( 224) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0025773 k( 225) = ( -0.4924186 0.5075814 -0.0000000), wk = 0.0025773 k( 226) = ( -0.4848372 0.5151628 -0.0000000), wk = 0.0025773 k( 227) = ( -0.4772558 0.5227442 -0.0000000), wk = 0.0025773 k( 228) = ( -0.4696744 0.5303256 -0.0000000), wk = 0.0025773 k( 229) = ( -0.4620930 0.5379070 -0.0000000), wk = 0.0025773 k( 230) = ( -0.4545116 0.5454884 -0.0000000), wk = 0.0025773 k( 231) = ( -0.4469302 0.5530698 -0.0000000), wk = 0.0025773 k( 232) = ( -0.4393488 0.5606512 -0.0000000), wk = 0.0025773 k( 233) = ( -0.4317674 0.5682326 -0.0000000), wk = 0.0025773 k( 234) = ( -0.4241860 0.5758140 -0.0000000), wk = 0.0025773 k( 235) = ( -0.4166046 0.5833954 -0.0000000), wk = 0.0025773 k( 236) = ( -0.4090232 0.5909768 -0.0000000), wk = 0.0025773 k( 237) = ( -0.4014417 0.5985582 -0.0000000), wk = 0.0025773 k( 238) = ( -0.3938604 0.6061397 -0.0000000), wk = 0.0025773 k( 239) = ( -0.3862790 0.6137210 -0.0000000), wk = 0.0025773 k( 240) = ( -0.3786975 0.6213025 0.0000000), wk = 0.0025773 k( 241) = ( -0.3711161 0.6288839 0.0000000), wk = 0.0025773 k( 242) = ( -0.3635347 0.6364653 -0.0000000), wk = 0.0025773 k( 243) = ( -0.3559533 0.6440467 -0.0000000), wk = 0.0025773 k( 244) = ( -0.3483719 0.6516281 -0.0000000), wk = 0.0025773 k( 245) = ( -0.3407905 0.6592095 -0.0000000), wk = 0.0025773 k( 246) = ( -0.3332091 0.6667909 0.0000000), wk = 0.0025773 k( 247) = ( -0.3256277 0.6743723 -0.0000000), wk = 0.0025773 k( 248) = ( -0.3180463 0.6819537 -0.0000000), wk = 0.0025773 k( 249) = ( -0.3104649 0.6895351 0.0000000), wk = 0.0025773 k( 250) = ( -0.3028835 0.6971165 -0.0000000), wk = 0.0025773 k( 251) = ( -0.2953021 0.7046979 -0.0000000), wk = 0.0025773 k( 252) = ( -0.2953021 0.7046979 -0.0000000), wk = 0.0025773 k( 253) = ( -0.2953021 0.7046979 0.0128205), wk = 0.0025773 k( 254) = ( -0.2953021 0.7046979 0.0256410), wk = 0.0025773 k( 255) = ( -0.2953021 0.7046979 0.0384615), wk = 0.0025773 k( 256) = ( -0.2953021 0.7046979 0.0512821), wk = 0.0025773 k( 257) = ( -0.2953021 0.7046979 0.0641026), wk = 0.0025773 k( 258) = ( -0.2953021 0.7046979 0.0769231), wk = 0.0025773 k( 259) = ( -0.2953021 0.7046979 0.0897436), wk = 0.0025773 k( 260) = ( -0.2953021 0.7046979 0.1025641), wk = 0.0025773 k( 261) = ( -0.2953021 0.7046979 0.1153846), wk = 0.0025773 k( 262) = ( -0.2953021 0.7046979 0.1282051), wk = 0.0025773 k( 263) = ( -0.2953021 0.7046979 0.1410256), wk = 0.0025773 k( 264) = ( -0.2953021 0.7046979 0.1538461), wk = 0.0025773 k( 265) = ( -0.2953021 0.7046979 0.1666667), wk = 0.0025773 k( 266) = ( -0.2953021 0.7046979 0.1794872), wk = 0.0025773 k( 267) = ( -0.2953021 0.7046979 0.1923077), wk = 0.0025773 k( 268) = ( -0.2953021 0.7046979 0.2051282), wk = 0.0025773 k( 269) = ( -0.2953021 0.7046979 0.2179487), wk = 0.0025773 k( 270) = ( -0.2953021 0.7046979 0.2307692), wk = 0.0025773 k( 271) = ( -0.2953021 0.7046979 0.2435897), wk = 0.0025773 k( 272) = ( -0.2953021 0.7046979 0.2564103), wk = 0.0025773 k( 273) = ( -0.2953021 0.7046979 0.2692308), wk = 0.0025773 k( 274) = ( -0.2953021 0.7046979 0.2820513), wk = 0.0025773 k( 275) = ( -0.2953021 0.7046979 0.2948718), wk = 0.0025773 k( 276) = ( -0.2953021 0.7046979 0.3076923), wk = 0.0025773 k( 277) = ( -0.2953021 0.7046979 0.3205128), wk = 0.0025773 k( 278) = ( -0.2953021 0.7046979 0.3333333), wk = 0.0025773 k( 279) = ( -0.2953021 0.7046979 0.3461539), wk = 0.0025773 k( 280) = ( -0.2953021 0.7046979 0.3589744), wk = 0.0025773 k( 281) = ( -0.2953021 0.7046979 0.3717949), wk = 0.0025773 k( 282) = ( -0.2953021 0.7046979 0.3846154), wk = 0.0025773 k( 283) = ( -0.2953021 0.7046979 0.3974359), wk = 0.0025773 k( 284) = ( -0.2953021 0.7046979 0.4102564), wk = 0.0025773 k( 285) = ( -0.2953021 0.7046979 0.4230769), wk = 0.0025773 k( 286) = ( -0.2953021 0.7046979 0.4358974), wk = 0.0025773 k( 287) = ( -0.2953021 0.7046979 0.4487180), wk = 0.0025773 k( 288) = ( -0.2953021 0.7046979 0.4615385), wk = 0.0025773 k( 289) = ( -0.2953021 0.7046979 0.4743590), wk = 0.0025773 k( 290) = ( -0.2953021 0.7046979 0.4871795), wk = 0.0025773 k( 291) = ( -0.2953021 0.7046979 0.5000000), wk = 0.0025773 k( 292) = ( -0.2953021 0.7046979 0.5000000), wk = 0.0025773 k( 293) = ( -0.3028835 0.6971165 0.5000000), wk = 0.0025773 k( 294) = ( -0.3104649 0.6895351 0.5000000), wk = 0.0025773 k( 295) = ( -0.3180463 0.6819537 0.5000000), wk = 0.0025773 k( 296) = ( -0.3256277 0.6743723 0.5000000), wk = 0.0025773 k( 297) = ( -0.3332091 0.6667909 0.5000000), wk = 0.0025773 k( 298) = ( -0.3407905 0.6592095 0.5000000), wk = 0.0025773 k( 299) = ( -0.3483719 0.6516281 0.5000000), wk = 0.0025773 k( 300) = ( -0.3559533 0.6440467 0.5000000), wk = 0.0025773 k( 301) = ( -0.3635347 0.6364653 0.5000000), wk = 0.0025773 k( 302) = ( -0.3711161 0.6288839 0.5000000), wk = 0.0025773 k( 303) = ( -0.3786975 0.6213025 0.5000000), wk = 0.0025773 k( 304) = ( -0.3862790 0.6137210 0.5000000), wk = 0.0025773 k( 305) = ( -0.3938604 0.6061397 0.5000000), wk = 0.0025773 k( 306) = ( -0.4014417 0.5985582 0.5000000), wk = 0.0025773 k( 307) = ( -0.4090232 0.5909768 0.5000000), wk = 0.0025773 k( 308) = ( -0.4166046 0.5833954 0.5000000), wk = 0.0025773 k( 309) = ( -0.4241860 0.5758140 0.5000000), wk = 0.0025773 k( 310) = ( -0.4317674 0.5682326 0.5000000), wk = 0.0025773 k( 311) = ( -0.4393488 0.5606512 0.5000000), wk = 0.0025773 k( 312) = ( -0.4469302 0.5530698 0.5000000), wk = 0.0025773 k( 313) = ( -0.4545116 0.5454884 0.5000000), wk = 0.0025773 k( 314) = ( -0.4620930 0.5379070 0.5000000), wk = 0.0025773 k( 315) = ( -0.4696744 0.5303256 0.5000000), wk = 0.0025773 k( 316) = ( -0.4772558 0.5227442 0.5000000), wk = 0.0025773 k( 317) = ( -0.4848372 0.5151628 0.5000000), wk = 0.0025773 k( 318) = ( -0.4924186 0.5075814 0.5000000), wk = 0.0025773 k( 319) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025773 k( 320) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025773 k( 321) = ( -0.5000000 0.5000000 0.4871795), wk = 0.0025773 k( 322) = ( -0.5000000 0.5000000 0.4743590), wk = 0.0025773 k( 323) = ( -0.5000000 0.5000000 0.4615385), wk = 0.0025773 k( 324) = ( -0.5000000 0.5000000 0.4487180), wk = 0.0025773 k( 325) = ( -0.5000000 0.5000000 0.4358974), wk = 0.0025773 k( 326) = ( -0.5000000 0.5000000 0.4230769), wk = 0.0025773 k( 327) = ( -0.5000000 0.5000000 0.4102564), wk = 0.0025773 k( 328) = ( -0.5000000 0.5000000 0.3974359), wk = 0.0025773 k( 329) = ( -0.5000000 0.5000000 0.3846154), wk = 0.0025773 k( 330) = ( -0.5000000 0.5000000 0.3717949), wk = 0.0025773 k( 331) = ( -0.5000000 0.5000000 0.3589744), wk = 0.0025773 k( 332) = ( -0.5000000 0.5000000 0.3461539), wk = 0.0025773 k( 333) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0025773 k( 334) = ( -0.5000000 0.5000000 0.3205128), wk = 0.0025773 k( 335) = ( -0.5000000 0.5000000 0.3076923), wk = 0.0025773 k( 336) = ( -0.5000000 0.5000000 0.2948718), wk = 0.0025773 k( 337) = ( -0.5000000 0.5000000 0.2820513), wk = 0.0025773 k( 338) = ( -0.5000000 0.5000000 0.2692308), wk = 0.0025773 k( 339) = ( -0.5000000 0.5000000 0.2564103), wk = 0.0025773 k( 340) = ( -0.5000000 0.5000000 0.2435897), wk = 0.0025773 k( 341) = ( -0.5000000 0.5000000 0.2307692), wk = 0.0025773 k( 342) = ( -0.5000000 0.5000000 0.2179487), wk = 0.0025773 k( 343) = ( -0.5000000 0.5000000 0.2051282), wk = 0.0025773 k( 344) = ( -0.5000000 0.5000000 0.1923077), wk = 0.0025773 k( 345) = ( -0.5000000 0.5000000 0.1794872), wk = 0.0025773 k( 346) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0025773 k( 347) = ( -0.5000000 0.5000000 0.1538461), wk = 0.0025773 k( 348) = ( -0.5000000 0.5000000 0.1410256), wk = 0.0025773 k( 349) = ( -0.5000000 0.5000000 0.1282051), wk = 0.0025773 k( 350) = ( -0.5000000 0.5000000 0.1153846), wk = 0.0025773 k( 351) = ( -0.5000000 0.5000000 0.1025641), wk = 0.0025773 k( 352) = ( -0.5000000 0.5000000 0.0897436), wk = 0.0025773 k( 353) = ( -0.5000000 0.5000000 0.0769231), wk = 0.0025773 k( 354) = ( -0.5000000 0.5000000 0.0641026), wk = 0.0025773 k( 355) = ( -0.5000000 0.5000000 0.0512821), wk = 0.0025773 k( 356) = ( -0.5000000 0.5000000 0.0384615), wk = 0.0025773 k( 357) = ( -0.5000000 0.5000000 0.0256410), wk = 0.0025773 k( 358) = ( -0.5000000 0.5000000 0.0128205), wk = 0.0025773 k( 359) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0025773 k( 360) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 361) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0025773 k( 362) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0025773 k( 363) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0025773 k( 364) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0025773 k( 365) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0025773 k( 366) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0025773 k( 367) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0025773 k( 368) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0025773 k( 369) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0025773 k( 370) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0025773 k( 371) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0025773 k( 372) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0025773 k( 373) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0025773 k( 374) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0025773 k( 375) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0025773 k( 376) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0025773 k( 377) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0025773 k( 378) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0025773 k( 379) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0025773 k( 380) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0025773 k( 381) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0025773 k( 382) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0025773 k( 383) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0025773 k( 384) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0025773 k( 385) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0025773 k( 386) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0025773 k( 387) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0025773 k( 388) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025773 Dense grid: 53815 G-vectors FFT dimensions: ( 64, 64, 40) Smooth grid: 29531 G-vectors FFT dimensions: ( 50, 50, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 166, 36) NL pseudopotentials 0.12 Mb ( 83, 96) Each V/rho on FFT grid 0.06 Mb ( 4096) Each G-vector array 0.01 Mb ( 1123) G-vector shells 0.00 Mb ( 583) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 166, 144) Each subspace H/S matrix 0.32 Mb ( 144, 144) Each matrix 0.11 Mb ( 96, 2, 36) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SrSi.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.3 secs Computing kpt #: 2 total cpu time spent up to now is 43.6 secs Computing kpt #: 3 total cpu time spent up to now is 44.9 secs Computing kpt #: 4 total cpu time spent up to now is 46.2 secs Computing kpt #: 5 total cpu time spent up to now is 47.5 secs Computing kpt #: 6 total cpu time spent up to now is 49.0 secs Computing kpt #: 7 total cpu time spent up to now is 50.3 secs Computing kpt #: 8 total cpu time spent up to now is 51.6 secs Computing kpt #: 9 total cpu time spent up to now is 52.9 secs Computing kpt #: 10 total cpu time spent up to now is 54.1 secs Computing kpt #: 11 total cpu time spent up to now is 55.3 secs Computing kpt #: 12 total cpu time spent up to now is 56.4 secs Computing kpt #: 13 total cpu time spent up to now is 57.7 secs Computing kpt #: 14 total cpu time spent up to now is 58.9 secs Computing kpt #: 15 total cpu time spent up to now is 60.0 secs Computing kpt #: 16 total cpu time spent up to now is 61.0 secs Computing kpt #: 17 total cpu time spent up to now is 62.1 secs Computing kpt #: 18 total cpu time spent up to now is 63.3 secs Computing kpt #: 19 total cpu time spent up to now is 64.4 secs Computing kpt #: 20 total cpu time spent up to now is 65.5 secs Computing kpt #: 21 total cpu time spent up to now is 66.7 secs Computing kpt #: 22 total cpu time spent up to now is 67.9 secs Computing kpt #: 23 total cpu time spent up to now is 69.1 secs Computing kpt #: 24 total cpu time spent up to now is 70.4 secs Computing kpt #: 25 total cpu time spent up to now is 71.7 secs Computing kpt #: 26 total cpu time spent up to now is 73.0 secs Computing kpt #: 27 total cpu time spent up to now is 74.1 secs Computing kpt #: 28 total cpu time spent up to now is 75.1 secs Computing kpt #: 29 total cpu time spent up to now is 76.1 secs Computing kpt #: 30 total cpu time spent up to now is 77.1 secs Computing kpt #: 31 total cpu time spent up to now is 78.1 secs Computing kpt #: 32 total cpu time spent up to now is 79.0 secs Computing kpt #: 33 total cpu time spent up to now is 79.9 secs Computing kpt #: 34 total cpu time spent up to now is 80.8 secs Computing kpt #: 35 total cpu time spent up to now is 81.8 secs Computing kpt #: 36 total cpu time spent up to now is 83.0 secs Computing kpt #: 37 total cpu time spent up to now is 84.4 secs Computing kpt #: 38 total cpu time spent up to now is 85.3 secs Computing kpt #: 39 total cpu time spent up to now is 86.2 secs Computing kpt #: 40 total cpu time spent up to now is 87.1 secs Computing kpt #: 41 total cpu time spent up to now is 88.0 secs Computing kpt #: 42 total cpu time spent up to now is 89.1 secs Computing kpt #: 43 total cpu time spent up to now is 90.2 secs Computing kpt #: 44 total cpu time spent up to now is 91.2 secs Computing kpt #: 45 total cpu time spent up to now is 92.7 secs Computing kpt #: 46 total cpu time spent up to now is 93.9 secs Computing kpt #: 47 total cpu time spent up to now is 95.1 secs Computing kpt #: 48 total cpu time spent up to now is 96.2 secs Computing kpt #: 49 total cpu time spent up to now is 97.3 secs Computing kpt #: 50 total cpu time spent up to now is 98.4 secs Computing kpt #: 51 total cpu time spent up to now is 99.3 secs Computing kpt #: 52 total cpu time spent up to now is 100.5 secs Computing kpt #: 53 total cpu time spent up to now is 101.7 secs Computing kpt #: 54 total cpu time spent up to now is 103.2 secs Computing kpt #: 55 total cpu time spent up to now is 105.0 secs Computing kpt #: 56 total cpu time spent up to now is 106.5 secs Computing kpt #: 57 total cpu time spent up to now is 108.2 secs Computing kpt #: 58 total cpu time spent up to now is 109.8 secs Computing kpt #: 59 total cpu time spent up to now is 111.5 secs Computing kpt #: 60 total cpu time spent up to now is 113.3 secs Computing kpt #: 61 total cpu time spent up to now is 115.4 secs Computing kpt #: 62 total cpu time spent up to now is 117.4 secs Computing kpt #: 63 total cpu time spent up to now is 119.1 secs Computing kpt #: 64 total cpu time spent up to now is 120.4 secs Computing kpt #: 65 total cpu time spent up to now is 122.5 secs Computing kpt #: 66 total cpu time spent up to now is 124.2 secs Computing kpt #: 67 total cpu time spent up to now is 125.5 secs Computing kpt #: 68 total cpu time spent up to now is 126.6 secs Computing kpt #: 69 total cpu time spent up to now is 127.8 secs Computing kpt #: 70 total cpu time spent up to now is 128.9 secs Computing kpt #: 71 total cpu time spent up to now is 130.0 secs Computing kpt #: 72 total cpu time spent up to now is 131.1 secs Computing kpt #: 73 total cpu time spent up to now is 132.1 secs Computing kpt #: 74 total cpu time spent up to now is 133.0 secs Computing kpt #: 75 total cpu time spent up to now is 134.0 secs Computing kpt #: 76 total cpu time spent up to now is 135.1 secs Computing kpt #: 77 total cpu time spent up to now is 136.1 secs Computing kpt #: 78 total cpu time spent up to now is 137.1 secs Computing kpt #: 79 total cpu time spent up to now is 138.2 secs Computing kpt #: 80 total cpu time spent up to now is 139.3 secs Computing kpt #: 81 total cpu time spent up to now is 140.3 secs Computing kpt #: 82 total cpu time spent up to now is 141.3 secs Computing kpt #: 83 total cpu time spent up to now is 142.3 secs Computing kpt #: 84 total cpu time spent up to now is 143.3 secs Computing kpt #: 85 total cpu time spent up to now is 144.3 secs Computing kpt #: 86 total cpu time spent up to now is 145.3 secs Computing kpt #: 87 total cpu time spent up to now is 146.8 secs Computing kpt #: 88 total cpu time spent up to now is 149.3 secs Computing kpt #: 89 total cpu time spent up to now is 150.5 secs Computing kpt #: 90 total cpu time spent up to now is 151.9 secs Computing kpt #: 91 total cpu time spent up to now is 152.9 secs Computing kpt #: 92 total cpu time spent up to now is 154.0 secs Computing kpt #: 93 total cpu time spent up to now is 155.2 secs Computing kpt #: 94 total cpu time spent up to now is 156.5 secs Computing kpt #: 95 total cpu time spent up to now is 157.8 secs Computing kpt #: 96 total cpu time spent up to now is 158.9 secs Computing kpt #: 97 total cpu time spent up to now is 160.0 secs Computing kpt #: 98 total cpu time spent up to now is 161.1 secs Computing kpt #: 99 total cpu time spent up to now is 162.4 secs Computing kpt #: 100 total cpu time spent up to now is 163.8 secs Computing kpt #: 101 total cpu time spent up to now is 165.1 secs Computing kpt #: 102 total cpu time spent up to now is 166.6 secs Computing kpt #: 103 total cpu time spent up to now is 167.9 secs Computing kpt #: 104 total cpu time spent up to now is 169.1 secs Computing kpt #: 105 total cpu time spent up to now is 170.3 secs Computing kpt #: 106 total cpu time spent up to now is 171.4 secs Computing kpt #: 107 total cpu time spent up to now is 172.5 secs Computing kpt #: 108 total cpu time spent up to now is 173.6 secs Computing kpt #: 109 total cpu time spent up to now is 174.7 secs Computing kpt #: 110 total cpu time spent up to now is 175.9 secs Computing kpt #: 111 total cpu time spent up to now is 176.9 secs Computing kpt 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total cpu time spent up to now is 193.3 secs Computing kpt #: 128 total cpu time spent up to now is 194.2 secs Computing kpt #: 129 total cpu time spent up to now is 195.5 secs Computing kpt #: 130 total cpu time spent up to now is 196.4 secs Computing kpt #: 131 total cpu time spent up to now is 197.6 secs Computing kpt #: 132 total cpu time spent up to now is 198.9 secs Computing kpt #: 133 total cpu time spent up to now is 199.8 secs Computing kpt #: 134 total cpu time spent up to now is 200.8 secs Computing kpt #: 135 total cpu time spent up to now is 201.9 secs Computing kpt #: 136 total cpu time spent up to now is 202.9 secs Computing kpt #: 137 total cpu time spent up to now is 204.0 secs Computing kpt #: 138 total cpu time spent up to now is 204.9 secs Computing kpt #: 139 total cpu time spent up to now is 205.7 secs Computing kpt #: 140 total cpu time spent up to now is 206.6 secs Computing kpt #: 141 total cpu time spent up to now is 207.5 secs Computing kpt #: 142 total cpu time spent up to now is 208.6 secs Computing kpt #: 143 total cpu time spent up to now is 209.6 secs Computing kpt #: 144 total cpu time spent up to now is 210.8 secs Computing kpt #: 145 total cpu time spent up to now is 211.8 secs Computing kpt #: 146 total cpu time spent up to now is 212.7 secs Computing kpt #: 147 total cpu time spent up to now is 213.6 secs Computing kpt #: 148 total cpu time spent up to now is 214.5 secs Computing kpt #: 149 total cpu time spent up to now is 215.4 secs Computing kpt #: 150 total cpu time spent up to now is 216.3 secs Computing kpt #: 151 total cpu time spent up to now is 217.2 secs Computing kpt #: 152 total cpu time spent up to now is 218.1 secs Computing kpt #: 153 total cpu time spent up to now is 219.0 secs Computing kpt #: 154 total cpu time spent up to now is 220.2 secs Computing kpt #: 155 total cpu time spent up to now is 221.2 secs Computing kpt #: 156 total cpu time spent up to now is 222.3 secs Computing kpt #: 157 total cpu time spent up to now is 223.2 secs Computing kpt #: 158 total cpu time spent up to now is 224.5 secs Computing kpt #: 159 total cpu time spent up to now is 225.8 secs Computing kpt #: 160 total cpu time spent up to now is 227.4 secs Computing kpt #: 161 total cpu time spent up to now is 228.4 secs Computing kpt #: 162 total cpu time spent up to now is 229.3 secs Computing kpt #: 163 total cpu time spent up to now is 230.2 secs Computing kpt #: 164 total cpu time spent up to now is 231.1 secs Computing kpt #: 165 total cpu time spent up to now is 232.0 secs Computing kpt #: 166 total cpu time spent up to now is 232.9 secs Computing kpt #: 167 total cpu time spent up to now is 233.9 secs Computing kpt #: 168 total cpu time spent up to now is 234.9 secs Computing kpt #: 169 total cpu time spent up to now is 236.1 secs Computing kpt #: 170 total cpu time spent up to now is 237.1 secs Computing kpt #: 171 total cpu time spent up to now is 238.1 secs Computing kpt #: 172 total cpu time spent up to now is 239.0 secs Computing kpt #: 173 total cpu time spent up to now is 239.8 secs Computing kpt #: 174 total cpu time spent up to now is 240.7 secs Computing kpt #: 175 total cpu time spent up to now is 241.6 secs Computing kpt #: 176 total cpu time spent up to now is 243.2 secs Computing kpt #: 177 total cpu time spent up to now is 244.2 secs Computing kpt #: 178 total cpu time spent up to now is 245.1 secs Computing kpt #: 179 total cpu time spent up to now is 246.0 secs Computing kpt #: 180 total cpu time spent up to now is 247.2 secs Computing kpt #: 181 total cpu time spent up to now is 248.2 secs Computing kpt #: 182 total cpu time spent up to now is 249.2 secs Computing kpt #: 183 total cpu time spent up to now is 250.3 secs Computing kpt #: 184 total cpu time spent up to now is 251.5 secs Computing kpt #: 185 total cpu time spent up to now is 252.5 secs Computing kpt #: 186 total cpu time spent up to now is 253.7 secs Computing kpt #: 187 total cpu time spent up to now is 255.1 secs Computing kpt #: 188 total cpu time spent up to now is 256.6 secs Computing kpt #: 189 total cpu time spent up to now is 257.9 secs Computing kpt #: 190 total cpu time spent up to now is 259.4 secs Computing kpt #: 191 total cpu time spent up to now is 260.8 secs Computing kpt #: 192 total cpu time spent up to now is 262.1 secs Computing kpt #: 193 total cpu time spent up to now is 263.3 secs Computing kpt #: 194 total cpu time spent up to now is 264.6 secs Computing kpt #: 195 total cpu time spent up to now is 265.8 secs Computing kpt #: 196 total cpu time spent up to now is 267.0 secs Computing kpt #: 197 total cpu time spent up to now is 268.3 secs Computing kpt #: 198 total cpu time spent up to now is 269.6 secs Computing kpt #: 199 total cpu time spent up to now is 270.9 secs Computing kpt #: 200 total cpu time spent up to now is 271.9 secs Computing kpt #: 201 total cpu time spent up to now is 273.0 secs Computing kpt #: 202 total cpu time spent up to now is 274.1 secs Computing kpt #: 203 total cpu time spent up to now is 275.1 secs Computing kpt #: 204 total cpu time spent up to now is 276.2 secs Computing kpt #: 205 total cpu time spent up to now is 277.4 secs Computing kpt #: 206 total cpu time spent up to now is 278.6 secs Computing kpt #: 207 total cpu time spent up to now is 279.6 secs Computing kpt #: 208 total cpu time spent up to now is 280.7 secs Computing kpt #: 209 total cpu time spent up to now is 281.8 secs Computing kpt #: 210 total cpu time spent up to now is 283.1 secs Computing kpt #: 211 total cpu time spent up to now is 284.7 secs Computing kpt #: 212 total cpu time spent up to now is 286.3 secs Computing kpt #: 213 total cpu time spent up to now is 287.6 secs Computing kpt #: 214 total cpu time spent up to now is 288.9 secs Computing kpt #: 215 total cpu time spent up to now is 290.1 secs Computing kpt #: 216 total cpu time spent up to now is 291.4 secs Computing kpt #: 217 total cpu time spent up to now is 292.5 secs Computing kpt #: 218 total cpu time spent up to now is 293.6 secs Computing kpt #: 219 total cpu time spent up to now is 294.7 secs Computing kpt #: 220 total cpu time spent up to now is 295.8 secs Computing kpt #: 221 total cpu time spent up to now is 296.8 secs Computing kpt #: 222 total cpu time spent up to now is 297.7 secs Computing kpt #: 223 total cpu time spent up to now is 298.7 secs Computing kpt #: 224 total cpu time spent up to now is 299.7 secs Computing kpt #: 225 total cpu time spent up to now is 300.7 secs Computing kpt #: 226 total cpu time spent up to now is 301.6 secs Computing kpt #: 227 total cpu time spent up to now is 302.6 secs Computing kpt #: 228 total cpu time spent up to now is 303.9 secs Computing kpt #: 229 total cpu time spent up to now is 305.3 secs Computing kpt #: 230 total cpu time spent up to now is 306.4 secs Computing kpt #: 231 total cpu time spent up to now is 307.5 secs Computing kpt #: 232 total cpu time spent up to now is 308.6 secs Computing kpt #: 233 total cpu time spent up to now is 309.8 secs Computing kpt #: 234 total cpu time spent up to now is 311.0 secs Computing kpt #: 235 total cpu time spent up to now is 312.3 secs Computing kpt #: 236 total cpu time spent up to now is 313.7 secs Computing kpt #: 237 total cpu time spent up to now is 314.9 secs Computing kpt #: 238 total cpu time spent up to now is 316.2 secs Computing kpt #: 239 total cpu time spent up to now is 317.8 secs Computing kpt #: 240 total cpu time spent up to now is 319.3 secs Computing kpt #: 241 total cpu time spent up to now is 320.5 secs Computing kpt #: 242 total cpu time spent up to now is 321.6 secs Computing kpt #: 243 total cpu time spent up to now is 322.6 secs Computing kpt #: 244 total cpu time spent up to now is 323.6 secs Computing kpt #: 245 total cpu time spent up to now is 324.5 secs Computing kpt #: 246 total cpu time spent up to now is 325.5 secs Computing kpt #: 247 total cpu time spent up to now is 326.7 secs Computing kpt #: 248 total cpu time spent up to now is 327.6 secs Computing kpt #: 249 total cpu time spent up to now is 328.7 secs Computing kpt #: 250 total cpu time spent up to now is 330.0 secs Computing kpt #: 251 total cpu time spent up to now is 331.0 secs Computing kpt #: 252 total cpu time spent up to now is 331.9 secs Computing kpt #: 253 total cpu time spent up to now is 332.8 secs Computing kpt #: 254 total cpu time spent up to now is 333.7 secs Computing kpt #: 255 total cpu time spent up to now is 334.6 secs Computing kpt #: 256 total cpu time spent up to now is 335.6 secs Computing kpt #: 257 total cpu time spent up to now is 336.5 secs Computing kpt #: 258 total cpu time spent up to now is 337.5 secs Computing kpt #: 259 total cpu time spent up to now is 338.4 secs Computing kpt #: 260 total cpu time spent up to now is 339.5 secs Computing kpt #: 261 total cpu time spent up to now is 340.5 secs Computing kpt #: 262 total cpu time spent up to now is 341.5 secs Computing kpt #: 263 total cpu time spent up to now is 342.5 secs Computing kpt #: 264 total cpu time spent up to now is 344.0 secs Computing kpt #: 265 total cpu time spent up to now is 345.1 secs Computing kpt #: 266 total cpu time spent up to now is 346.1 secs Computing kpt #: 267 total cpu time spent up to now is 347.2 secs Computing kpt #: 268 total cpu time spent up to now is 348.2 secs Computing kpt #: 269 total cpu time spent up to now is 349.2 secs Computing kpt #: 270 total cpu time spent up to now is 350.2 secs Computing kpt #: 271 total cpu time spent up to now is 351.1 secs Computing kpt #: 272 total cpu time spent up to now is 352.1 secs Computing kpt #: 273 total cpu time spent up to now is 353.1 secs Computing kpt #: 274 total cpu time spent up to now is 354.0 secs Computing kpt #: 275 total cpu time spent up to now is 355.0 secs Computing kpt #: 276 total cpu time spent up to now is 356.0 secs Computing kpt #: 277 total cpu time spent up to now is 356.9 secs Computing kpt #: 278 total cpu time spent up to now is 357.8 secs Computing kpt #: 279 total cpu time spent up to now is 358.8 secs Computing kpt #: 280 total cpu time spent up to now is 359.7 secs Computing kpt #: 281 total cpu time spent up to now is 360.6 secs Computing kpt #: 282 total cpu time spent up to now is 361.6 secs Computing kpt #: 283 total cpu time spent up to now is 362.6 secs Computing kpt #: 284 total cpu time spent up to now is 363.6 secs Computing kpt #: 285 total cpu time spent up to now is 364.8 secs Computing kpt #: 286 total cpu time spent up to now is 366.1 secs Computing kpt #: 287 total cpu time spent up to now is 367.2 secs Computing kpt #: 288 total cpu time spent up to now is 368.8 secs Computing kpt #: 289 total cpu time spent up to now is 369.8 secs Computing kpt #: 290 total cpu time spent up to now is 370.7 secs Computing kpt #: 291 total cpu time spent up to now is 371.7 secs Computing kpt #: 292 total cpu time spent up to now is 372.7 secs Computing kpt #: 293 total cpu time spent up to now is 373.6 secs Computing kpt #: 294 total cpu time spent up to now is 374.6 secs Computing kpt #: 295 total cpu time spent up to now is 375.6 secs Computing kpt #: 296 total cpu time spent up to now is 376.7 secs Computing kpt #: 297 total cpu time spent up to now is 377.7 secs Computing kpt #: 298 total cpu time spent up to now is 378.9 secs Computing kpt #: 299 total cpu time spent up to now is 379.7 secs Computing kpt #: 300 total cpu time spent up to now is 380.6 secs Computing kpt #: 301 total cpu time spent up to now is 381.4 secs Computing kpt #: 302 total cpu time spent up to now is 382.3 secs Computing kpt #: 303 total cpu time spent up to now is 383.1 secs Computing kpt #: 304 total cpu time spent up to now is 384.3 secs Computing kpt #: 305 total cpu time spent up to now is 385.1 secs Computing kpt #: 306 total cpu time spent up to now is 385.8 secs Computing kpt #: 307 total cpu time spent up to now is 386.7 secs Computing kpt #: 308 total cpu time spent up to now is 387.8 secs Computing kpt #: 309 total cpu time spent up to now is 388.6 secs Computing kpt #: 310 total cpu time spent up to now is 389.5 secs Computing kpt #: 311 total cpu time spent up to now is 390.5 secs Computing kpt #: 312 total cpu time spent up to now is 391.4 secs Computing kpt #: 313 total cpu time spent up to now is 392.3 secs Computing kpt #: 314 total cpu time spent up to now is 393.2 secs Computing kpt #: 315 total cpu time spent up to now is 394.3 secs Computing kpt #: 316 total cpu time spent up to now is 395.2 secs Computing kpt #: 317 total cpu time spent up to now is 396.5 secs Computing kpt #: 318 total cpu time spent up to now is 397.6 secs Computing kpt #: 319 total cpu time spent up to now is 398.8 secs Computing kpt #: 320 total cpu time spent up to now is 399.8 secs Computing kpt #: 321 total cpu time spent up to now is 401.1 secs Computing kpt #: 322 total cpu time spent up to now is 402.3 secs Computing kpt #: 323 total cpu time spent up to now is 403.4 secs Computing kpt #: 324 total cpu time spent up to now is 404.5 secs Computing kpt #: 325 total cpu time spent up to now is 405.7 secs Computing kpt #: 326 total cpu time spent up to now is 406.8 secs Computing kpt #: 327 total cpu time spent up to now is 408.3 secs Computing kpt #: 328 total cpu time spent up to now is 409.6 secs Computing kpt #: 329 total cpu time spent up to now is 410.6 secs Computing kpt #: 330 total cpu time spent up to now is 411.6 secs Computing kpt #: 331 total cpu time spent up to now is 412.6 secs Computing kpt #: 332 total cpu time spent up to now is 413.7 secs Computing kpt #: 333 total cpu time spent up to now is 414.9 secs Computing kpt #: 334 total cpu time spent up to now is 415.9 secs Computing kpt #: 335 total cpu time spent up to now is 417.0 secs Computing kpt #: 336 total cpu time spent up to now is 418.1 secs Computing kpt #: 337 total cpu time spent up to now is 419.2 secs Computing kpt #: 338 total cpu time spent up to now is 420.3 secs Computing kpt #: 339 total cpu time spent up to now is 421.3 secs Computing kpt #: 340 total cpu time spent up to now is 422.9 secs Computing kpt #: 341 total cpu time spent up to now is 424.0 secs Computing kpt #: 342 total cpu time spent up to now is 425.2 secs Computing kpt #: 343 total cpu time spent up to now is 426.4 secs Computing kpt #: 344 total cpu time spent up to now is 427.5 secs Computing kpt #: 345 total cpu time spent up to now is 428.7 secs Computing kpt #: 346 total cpu time spent up to now is 429.9 secs Computing kpt #: 347 total cpu time spent up to now is 431.1 secs Computing kpt #: 348 total cpu time spent up to now is 432.4 secs Computing kpt #: 349 total cpu time spent up to now is 433.7 secs Computing kpt #: 350 total cpu time spent up to now is 434.9 secs Computing kpt #: 351 total cpu time spent up to now is 436.2 secs Computing kpt #: 352 total cpu time spent up to now is 437.3 secs Computing kpt #: 353 total cpu time spent up to now is 438.4 secs Computing kpt #: 354 total cpu time spent up to now is 439.5 secs Computing kpt #: 355 total cpu time spent up to now is 440.5 secs Computing kpt #: 356 total cpu time spent up to now is 441.7 secs Computing kpt #: 357 total cpu time spent up to now is 442.8 secs Computing kpt #: 358 total cpu time spent up to now is 443.8 secs Computing kpt #: 359 total cpu time spent up to now is 444.7 secs Computing kpt #: 360 total cpu time spent up to now is 445.6 secs Computing kpt #: 361 total cpu time spent up to now is 446.5 secs Computing kpt #: 362 total cpu time spent up to now is 447.4 secs Computing kpt #: 363 total cpu time spent up to now is 448.4 secs Computing kpt #: 364 total cpu time spent up to now is 449.6 secs Computing kpt #: 365 total cpu time spent up to now is 450.5 secs Computing kpt #: 366 total cpu time spent up to now is 451.8 secs Computing kpt #: 367 total cpu time spent up to now is 452.7 secs Computing kpt #: 368 total cpu time spent up to now is 453.6 secs Computing kpt #: 369 total cpu time spent up to now is 454.5 secs Computing kpt #: 370 total cpu time spent up to now is 455.5 secs Computing kpt #: 371 total cpu time spent up to now is 456.6 secs Computing kpt #: 372 total cpu time spent up to now is 457.9 secs Computing kpt #: 373 total cpu time spent up to now is 459.0 secs Computing kpt #: 374 total cpu time spent up to now is 460.1 secs Computing kpt #: 375 total cpu time spent up to now is 461.1 secs Computing kpt #: 376 total cpu time spent up to now is 462.1 secs Computing kpt #: 377 total cpu time spent up to now is 463.2 secs Computing kpt #: 378 total cpu time spent up to now is 464.3 secs Computing kpt #: 379 total cpu time spent up to now is 465.6 secs Computing kpt #: 380 total cpu time spent up to now is 466.9 secs Computing kpt #: 381 total cpu time spent up to now is 468.2 secs Computing kpt #: 382 total cpu time spent up to now is 469.6 secs Computing kpt #: 383 total cpu time spent up to now is 470.5 secs Computing kpt #: 384 total cpu time spent up to now is 471.5 secs Computing kpt #: 385 total cpu time spent up to now is 472.5 secs Computing kpt #: 386 total cpu time spent up to now is 473.5 secs Computing kpt #: 387 total cpu time spent up to now is 474.5 secs Computing kpt #: 388 total cpu time spent up to now is 475.5 secs ethr = 3.57E-11, avg # of iterations = 34.8 total cpu time spent up to now is 475.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3679 PWs) bands (ev): -27.6935 -27.6935 -27.6446 -27.6446 -10.5966 -10.5966 -10.4104 -10.4104 -9.5418 -9.5418 -9.3738 -9.3738 -9.3022 -9.3022 -9.1995 -9.1995 -1.8885 -1.8885 2.6545 2.6545 5.6142 5.6142 5.6369 5.6369 6.0054 6.0054 7.4107 7.4107 8.8526 8.8526 8.9032 8.9032 10.3371 10.3371 10.8398 10.8398 k = 0.0076 0.0178-0.0000 ( 3679 PWs) bands (ev): -27.6935 -27.6935 -27.6446 -27.6446 -10.5966 -10.5966 -10.4105 -10.4105 -9.5418 -9.5418 -9.3739 -9.3739 -9.3023 -9.3023 -9.1995 -9.1995 -1.8876 -1.8876 2.6555 2.6555 5.5435 5.5435 5.7066 5.7066 6.0048 6.0048 7.4111 7.4111 8.8484 8.8484 8.9005 8.9005 10.3482 10.3482 10.8322 10.8322 k = 0.0151 0.0356-0.0000 ( 3675 PWs) bands (ev): -27.6935 -27.6935 -27.6446 -27.6446 -10.5965 -10.5965 -10.4108 -10.4108 -9.5416 -9.5416 -9.3740 -9.3740 -9.3028 -9.3028 -9.1995 -9.1995 -1.8848 -1.8848 2.6587 2.6587 5.4619 5.4619 5.7851 5.7851 6.0032 6.0032 7.4125 7.4125 8.8288 8.8288 8.9004 8.9004 10.3805 10.3805 10.8111 10.8111 k = 0.0227 0.0534-0.0000 ( 3679 PWs) bands (ev): -27.6934 -27.6934 -27.6447 -27.6447 -10.5963 -10.5963 -10.4114 -10.4114 -9.5414 -9.5414 -9.3742 -9.3742 -9.3034 -9.3034 -9.1996 -9.1996 -1.8803 -1.8803 2.6640 2.6640 5.3799 5.3799 5.8620 5.8620 6.0005 6.0005 7.4144 7.4144 8.7889 8.7889 8.9108 8.9108 10.4311 10.4311 10.7800 10.7800 k = 0.0303 0.0711-0.0000 ( 3687 PWs) bands (ev): -27.6933 -27.6933 -27.6448 -27.6448 -10.5961 -10.5961 -10.4122 -10.4122 -9.5411 -9.5411 -9.3746 -9.3746 -9.3044 -9.3044 -9.1998 -9.1998 -1.8740 -1.8740 2.6713 2.6713 5.2978 5.2978 5.9366 5.9366 5.9969 5.9969 7.4167 7.4167 8.7340 8.7340 8.9301 8.9301 10.4963 10.4963 10.7430 10.7430 k = 0.0379 0.0889-0.0000 ( 3699 PWs) bands (ev): -27.6932 -27.6932 -27.6449 -27.6449 -10.5959 -10.5959 -10.4133 -10.4133 -9.5407 -9.5407 -9.3750 -9.3750 -9.3056 -9.3056 -9.2000 -9.2000 -1.8660 -1.8660 2.6806 2.6806 5.2161 5.2161 5.9906 5.9906 6.0103 6.0103 7.4186 7.4186 8.6698 8.6698 8.9568 8.9568 10.5722 10.5722 10.7034 10.7034 k = 0.0454 0.1067-0.0000 ( 3687 PWs) bands (ev): -27.6930 -27.6930 -27.6450 -27.6450 -10.5955 -10.5955 -10.4146 -10.4146 -9.5402 -9.5402 -9.3755 -9.3755 -9.3070 -9.3070 -9.2002 -9.2002 -1.8563 -1.8563 2.6920 2.6920 5.1351 5.1351 5.9856 5.9856 6.0790 6.0790 7.4195 7.4195 8.6008 8.6008 8.9901 8.9901 10.6513 10.6513 10.6677 10.6677 k = 0.0530 0.1245-0.0000 ( 3687 PWs) bands (ev): -27.6928 -27.6928 -27.6451 -27.6451 -10.5951 -10.5951 -10.4160 -10.4160 -9.5396 -9.5396 -9.3761 -9.3761 -9.3086 -9.3086 -9.2004 -9.2004 -1.8450 -1.8450 2.7052 2.7052 5.0551 5.0551 5.9789 5.9789 6.1451 6.1451 7.4183 7.4183 8.5306 8.5306 9.0299 9.0299 10.6228 10.6228 10.7449 10.7449 k = 0.0606 0.1423-0.0000 ( 3687 PWs) bands (ev): -27.6926 -27.6926 -27.6452 -27.6452 -10.5947 -10.5947 -10.4177 -10.4177 -9.5390 -9.5390 -9.3768 -9.3768 -9.3104 -9.3104 -9.2008 -9.2008 -1.8322 -1.8322 2.7202 2.7202 4.9765 4.9765 5.9712 5.9712 6.2079 6.2079 7.4137 7.4137 8.4625 8.4625 9.0759 9.0759 10.5857 10.5857 10.7107 10.7107 k = 0.0681 0.1601-0.0000 ( 3687 PWs) bands (ev): -27.6923 -27.6923 -27.6454 -27.6454 -10.5942 -10.5942 -10.4196 -10.4196 -9.5383 -9.5383 -9.3776 -9.3776 -9.3124 -9.3124 -9.2011 -9.2011 -1.8180 -1.8180 2.7369 2.7369 4.8994 4.8994 5.9627 5.9627 6.2669 6.2669 7.4042 7.4042 8.3996 8.3996 9.1281 9.1281 10.5510 10.5510 10.6315 10.6315 k = 0.0757 0.1779-0.0000 ( 3695 PWs) bands (ev): -27.6921 -27.6921 -27.6456 -27.6456 -10.5936 -10.5936 -10.4217 -10.4217 -9.5374 -9.5374 -9.3786 -9.3786 -9.3145 -9.3145 -9.2015 -9.2015 -1.8026 -1.8026 2.7552 2.7552 4.8243 4.8243 5.9534 5.9534 6.3221 6.3221 7.3881 7.3881 8.3448 8.3448 9.1863 9.1863 10.5193 10.5193 10.5551 10.5551 k = 0.0833 0.1957-0.0000 ( 3691 PWs) bands (ev): -27.6918 -27.6918 -27.6458 -27.6458 -10.5929 -10.5929 -10.4239 -10.4239 -9.5365 -9.5365 -9.3796 -9.3796 -9.3166 -9.3166 -9.2020 -9.2020 -1.7859 -1.7859 2.7749 2.7749 4.7512 4.7512 5.9433 5.9433 6.3732 6.3732 7.3639 7.3639 8.3002 8.3002 9.2502 9.2502 10.4788 10.4788 10.4935 10.4935 k = 0.0909 0.2134-0.0000 ( 3695 PWs) bands (ev): -27.6914 -27.6914 -27.6460 -27.6460 -10.5923 -10.5923 -10.4263 -10.4263 -9.5356 -9.5356 -9.3808 -9.3808 -9.3187 -9.3187 -9.2025 -9.2025 -1.7682 -1.7682 2.7960 2.7960 4.6806 4.6806 5.9327 5.9327 6.4202 6.4202 7.3307 7.3307 8.2676 8.2676 9.3198 9.3198 10.4089 10.4089 10.4679 10.4679 k = 0.0984 0.2312-0.0000 ( 3695 PWs) bands (ev): -27.6911 -27.6911 -27.6463 -27.6463 -10.5915 -10.5915 -10.4289 -10.4289 -9.5345 -9.5345 -9.3822 -9.3822 -9.3209 -9.3209 -9.2031 -9.2031 -1.7496 -1.7496 2.8182 2.8182 4.6125 4.6125 5.9215 5.9215 6.4631 6.4631 7.2884 7.2884 8.2476 8.2476 9.3947 9.3947 10.3409 10.3409 10.4471 10.4471 k = 0.1060 0.2490-0.0000 ( 3705 PWs) bands (ev): -27.6907 -27.6907 -27.6465 -27.6465 -10.5907 -10.5907 -10.4316 -10.4316 -9.5334 -9.5334 -9.3837 -9.3837 -9.3230 -9.3230 -9.2038 -9.2038 -1.7302 -1.7302 2.8413 2.8413 4.5473 4.5473 5.9098 5.9098 6.5020 6.5020 7.2377 7.2377 8.2398 8.2398 9.4744 9.4744 10.2759 10.2759 10.4303 10.4303 k = 0.1136 0.2668-0.0000 ( 3699 PWs) bands (ev): -27.6903 -27.6903 -27.6468 -27.6468 -10.5898 -10.5898 -10.4344 -10.4344 -9.5322 -9.5322 -9.3853 -9.3853 -9.3250 -9.3250 -9.2045 -9.2045 -1.7102 -1.7102 2.8652 2.8652 4.4851 4.4851 5.8978 5.8978 6.5369 6.5369 7.1800 7.1800 8.2432 8.2432 9.5587 9.5587 10.2141 10.2141 10.4175 10.4175 k = 0.1211 0.2846-0.0000 ( 3693 PWs) bands (ev): -27.6899 -27.6899 -27.6471 -27.6471 -10.5888 -10.5888 -10.4373 -10.4373 -9.5309 -9.5309 -9.3871 -9.3871 -9.3268 -9.3268 -9.2052 -9.2052 -1.6898 -1.6898 2.8896 2.8896 4.4261 4.4261 5.8855 5.8855 6.5680 6.5680 7.1173 7.1173 8.2561 8.2561 9.6469 9.6469 10.1555 10.1555 10.4085 10.4085 k = 0.1287 0.3024-0.0000 ( 3685 PWs) bands (ev): -27.6895 -27.6895 -27.6474 -27.6474 -10.5878 -10.5878 -10.4403 -10.4403 -9.5296 -9.5296 -9.3891 -9.3891 -9.3285 -9.3285 -9.2061 -9.2061 -1.6691 -1.6691 2.9142 2.9142 4.3706 4.3706 5.8731 5.8731 6.5954 6.5954 7.0512 7.0512 8.2768 8.2768 9.7385 9.7385 10.1003 10.1003 10.4034 10.4034 k = 0.1363 0.3202-0.0000 ( 3677 PWs) bands (ev): -27.6890 -27.6890 -27.6478 -27.6478 -10.5868 -10.5868 -10.4433 -10.4433 -9.5282 -9.5282 -9.3913 -9.3913 -9.3300 -9.3300 -9.2070 -9.2070 -1.6483 -1.6483 2.9389 2.9389 4.3187 4.3187 5.8606 5.8606 6.6194 6.6194 6.9836 6.9836 8.3040 8.3040 9.8327 9.8327 10.0485 10.0485 10.4021 10.4021 k = 0.1439 0.3380-0.0000 ( 3677 PWs) bands (ev): -27.6886 -27.6886 -27.6481 -27.6481 -10.5856 -10.5856 -10.4464 -10.4464 -9.5267 -9.5267 -9.3935 -9.3935 -9.3313 -9.3313 -9.2080 -9.2080 -1.6275 -1.6275 2.9632 2.9632 4.2707 4.2707 5.8481 5.8481 6.6401 6.6401 6.9159 6.9159 8.3361 8.3361 9.9274 9.9274 10.0014 10.0014 10.4046 10.4046 k = 0.1514 0.3557-0.0000 ( 3677 PWs) bands (ev): -27.6881 -27.6881 -27.6485 -27.6485 -10.5844 -10.5844 -10.4496 -10.4496 -9.5252 -9.5252 -9.3960 -9.3960 -9.3324 -9.3324 -9.2090 -9.2090 -1.6070 -1.6070 2.9868 2.9868 4.2266 4.2266 5.8358 5.8358 6.6578 6.6578 6.8495 6.8495 8.3719 8.3719 9.9516 9.9516 10.0287 10.0287 10.4107 10.4107 k = 0.1590 0.3735-0.0000 ( 3669 PWs) bands (ev): -27.6876 -27.6876 -27.6489 -27.6489 -10.5832 -10.5832 -10.4527 -10.4527 -9.5236 -9.5236 -9.3985 -9.3985 -9.3332 -9.3332 -9.2101 -9.2101 -1.5869 -1.5869 3.0095 3.0095 4.1867 4.1867 5.8237 5.8237 6.6726 6.6726 6.7855 6.7855 8.4103 8.4103 9.9112 9.9112 10.1225 10.1225 10.4204 10.4204 k = 0.1666 0.3913-0.0000 ( 3661 PWs) bands (ev): -27.6871 -27.6871 -27.6493 -27.6493 -10.5819 -10.5819 -10.4559 -10.4559 -9.5220 -9.5220 -9.4011 -9.4011 -9.3338 -9.3338 -9.2113 -9.2113 -1.5674 -1.5674 3.0309 3.0309 4.1510 4.1510 5.8119 5.8119 6.6839 6.6839 6.7257 6.7257 8.4504 8.4504 9.8730 9.8730 10.2110 10.2110 10.4334 10.4334 k = 0.1742 0.4091-0.0000 ( 3661 PWs) bands (ev): -27.6866 -27.6866 -27.6497 -27.6497 -10.5805 -10.5805 -10.4591 -10.4591 -9.5203 -9.5203 -9.4037 -9.4037 -9.3342 -9.3342 -9.2126 -9.2126 -1.5486 -1.5486 3.0505 3.0505 4.1198 4.1198 5.8005 5.8005 6.6640 6.6640 6.6988 6.6988 8.4913 8.4913 9.8381 9.8381 10.2799 10.2799 10.4500 10.4500 k = 0.1817 0.4269-0.0000 ( 3673 PWs) bands (ev): -27.6861 -27.6861 -27.6501 -27.6501 -10.5791 -10.5791 -10.4622 -10.4622 -9.5185 -9.5185 -9.4064 -9.4064 -9.3344 -9.3344 -9.2140 -9.2140 -1.5307 -1.5307 3.0681 3.0681 4.0932 4.0932 5.7896 5.7896 6.6134 6.6134 6.7055 6.7055 8.5320 8.5320 9.8067 9.8067 10.2972 10.2972 10.4713 10.4713 k = 0.1893 0.4447-0.0000 ( 3664 PWs) bands (ev): -27.6856 -27.6856 -27.6506 -27.6506 -10.5776 -10.5776 -10.4653 -10.4653 -9.5167 -9.5167 -9.4091 -9.4091 -9.3344 -9.3344 -9.2154 -9.2154 -1.5139 -1.5139 3.0832 3.0832 4.0711 4.0711 5.7793 5.7793 6.5669 6.5669 6.7117 6.7117 8.5716 8.5716 9.7787 9.7787 10.2568 10.2568 10.4872 10.4872 k = 0.1969 0.4625-0.0000 ( 3662 PWs) bands (ev): -27.6850 -27.6850 -27.6510 -27.6510 -10.5760 -10.5760 -10.4683 -10.4683 -9.5149 -9.5149 -9.4116 -9.4116 -9.3342 -9.3342 -9.2169 -9.2169 -1.4983 -1.4983 3.0955 3.0955 4.0539 4.0539 5.7697 5.7697 6.5263 6.5263 6.7166 6.7166 8.6094 8.6094 9.7541 9.7541 10.1911 10.1911 10.4309 10.4309 k = 0.2044 0.4803-0.0000 ( 3654 PWs) bands (ev): -27.6845 -27.6845 -27.6515 -27.6515 -10.5744 -10.5744 -10.4712 -10.4712 -9.5130 -9.5130 -9.4141 -9.4141 -9.3339 -9.3339 -9.2184 -9.2184 -1.4839 -1.4839 3.1046 3.1046 4.0414 4.0414 5.7608 5.7608 6.4921 6.4921 6.7202 6.7202 8.6443 8.6443 9.7330 9.7330 10.1170 10.1170 10.3743 10.3743 k = 0.2120 0.4980-0.0000 ( 3660 PWs) bands (ev): -27.6840 -27.6840 -27.6520 -27.6520 -10.5728 -10.5728 -10.4740 -10.4740 -9.5111 -9.5111 -9.4165 -9.4165 -9.3334 -9.3334 -9.2200 -9.2200 -1.4710 -1.4710 3.1102 3.1102 4.0338 4.0338 5.7527 5.7527 6.4650 6.4650 6.7226 6.7226 8.6754 8.6754 9.7154 9.7154 10.0397 10.0397 10.3199 10.3199 k = 0.2196 0.5158-0.0000 ( 3660 PWs) bands (ev): -27.6834 -27.6834 -27.6525 -27.6525 -10.5711 -10.5711 -10.4767 -10.4767 -9.5092 -9.5092 -9.4188 -9.4188 -9.3328 -9.3328 -9.2217 -9.2217 -1.4596 -1.4596 3.1122 3.1122 4.0311 4.0311 5.7454 5.7454 6.4453 6.4453 6.7242 6.7242 8.7018 8.7018 9.7013 9.7013 9.9612 9.9612 10.2688 10.2688 k = 0.2272 0.5336-0.0000 ( 3660 PWs) bands (ev): -27.6829 -27.6829 -27.6530 -27.6530 -10.5693 -10.5693 -10.4793 -10.4793 -9.5073 -9.5073 -9.4208 -9.4208 -9.3321 -9.3321 -9.2234 -9.2234 -1.4497 -1.4497 3.1103 3.1103 4.0333 4.0333 5.7391 5.7391 6.4333 6.4333 6.7250 6.7250 8.7225 8.7225 9.6906 9.6906 9.8823 9.8823 10.2216 10.2216 k = 0.2347 0.5514-0.0000 ( 3652 PWs) bands (ev): -27.6824 -27.6824 -27.6535 -27.6535 -10.5675 -10.5675 -10.4818 -10.4818 -9.5053 -9.5053 -9.4227 -9.4227 -9.3313 -9.3313 -9.2252 -9.2252 -1.4415 -1.4415 3.1043 3.1043 4.0404 4.0404 5.7337 5.7337 6.4293 6.4293 6.7253 6.7253 8.7368 8.7368 9.6833 9.6833 9.8034 9.8034 10.1794 10.1794 k = 0.2423 0.5692-0.0000 ( 3664 PWs) bands (ev): -27.6818 -27.6818 -27.6540 -27.6540 -10.5657 -10.5657 -10.4842 -10.4842 -9.5034 -9.5034 -9.4244 -9.4244 -9.3303 -9.3303 -9.2271 -9.2271 -1.4350 -1.4350 3.0943 3.0943 4.0524 4.0524 5.7293 5.7293 6.4332 6.4332 6.7252 6.7252 8.7438 8.7438 9.6790 9.6790 9.7251 9.7251 10.1429 10.1429 k = 0.2499 0.5870-0.0000 ( 3666 PWs) bands (ev): -27.6813 -27.6813 -27.6545 -27.6545 -10.5638 -10.5638 -10.4864 -10.4864 -9.5015 -9.5015 -9.4258 -9.4258 -9.3294 -9.3294 -9.2289 -9.2289 -1.4301 -1.4301 3.0803 3.0803 4.0692 4.0692 5.7259 5.7259 6.4453 6.4453 6.7248 6.7248 8.7430 8.7430 9.6447 9.6447 9.6805 9.6805 10.1127 10.1127 k = 0.2574 0.6048-0.0000 ( 3658 PWs) bands (ev): -27.6808 -27.6808 -27.6550 -27.6550 -10.5619 -10.5619 -10.4884 -10.4884 -9.4995 -9.4995 -9.4270 -9.4270 -9.3283 -9.3283 -9.2309 -9.2309 -1.4269 -1.4269 3.0624 3.0624 4.0907 4.0907 5.7236 5.7236 6.4654 6.4654 6.7243 6.7243 8.7343 8.7343 9.5673 9.5673 9.6829 9.6829 10.0894 10.0894 k = 0.2650 0.6226-0.0000 ( 3664 PWs) bands (ev): -27.6803 -27.6803 -27.6556 -27.6556 -10.5599 -10.5599 -10.4903 -10.4903 -9.4976 -9.4976 -9.4279 -9.4279 -9.3272 -9.3272 -9.2328 -9.2328 -1.4254 -1.4254 3.0407 3.0407 4.1168 4.1168 5.7223 5.7223 6.4934 6.4934 6.7238 6.7238 8.7177 8.7177 9.4898 9.4898 9.6893 9.6893 10.0731 10.0731 k = 0.2726 0.6403-0.0000 ( 3662 PWs) bands (ev): -27.6798 -27.6798 -27.6561 -27.6561 -10.5580 -10.5580 -10.4921 -10.4921 -9.4958 -9.4958 -9.4286 -9.4286 -9.3261 -9.3261 -9.2348 -9.2348 -1.4255 -1.4255 3.0156 3.0156 4.1474 4.1474 5.7220 5.7220 6.5292 6.5292 6.7234 6.7234 8.6936 8.6936 9.4127 9.4127 9.6991 9.6991 10.0636 10.0636 k = 0.2802 0.6581-0.0000 ( 3654 PWs) bands (ev): -27.6793 -27.6793 -27.6566 -27.6566 -10.5560 -10.5560 -10.4936 -10.4936 -9.4939 -9.4939 -9.4291 -9.4291 -9.3249 -9.3249 -9.2368 -9.2368 -1.4271 -1.4271 2.9874 2.9874 4.1824 4.1824 5.7229 5.7229 6.5723 6.5723 6.7233 6.7233 8.6626 8.6626 9.3361 9.3361 9.7123 9.7123 10.0606 10.0606 k = 0.2877 0.6759-0.0000 ( 3662 PWs) bands (ev): -27.6788 -27.6788 -27.6572 -27.6572 -10.5539 -10.5539 -10.4951 -10.4951 -9.4921 -9.4921 -9.4293 -9.4293 -9.3237 -9.3237 -9.2389 -9.2389 -1.4303 -1.4303 2.9563 2.9563 4.2216 4.2216 5.7247 5.7247 6.6226 6.6226 6.7235 6.7235 8.6257 8.6257 9.2600 9.2600 9.7288 9.7288 10.0635 10.0635 k = 0.2953 0.6937-0.0000 ( 3662 PWs) bands (ev): -27.6783 -27.6783 -27.6577 -27.6577 -10.5519 -10.5519 -10.4963 -10.4963 -9.4902 -9.4902 -9.4292 -9.4292 -9.3225 -9.3225 -9.2409 -9.2409 -1.4348 -1.4348 2.9228 2.9228 4.2648 4.2648 5.7276 5.7276 6.6794 6.6794 6.7244 6.7244 8.5838 8.5838 9.1845 9.1845 9.7485 9.7485 10.0716 10.0716 k = 0.2953 0.6937-0.0000 ( 3662 PWs) bands (ev): -27.6783 -27.6783 -27.6577 -27.6577 -10.5519 -10.5519 -10.4963 -10.4963 -9.4902 -9.4902 -9.4292 -9.4292 -9.3225 -9.3225 -9.2409 -9.2409 -1.4348 -1.4348 2.9228 2.9228 4.2648 4.2648 5.7276 5.7276 6.6794 6.6794 6.7244 6.7244 8.5838 8.5838 9.1845 9.1845 9.7485 9.7485 10.0716 10.0716 k = 0.2768 0.6937-0.0000 ( 3664 PWs) bands (ev): -27.6785 -27.6785 -27.6575 -27.6575 -10.5527 -10.5527 -10.4958 -10.4958 -9.4910 -9.4910 -9.4292 -9.4292 -9.3230 -9.3230 -9.2401 -9.2401 -1.4331 -1.4331 2.9353 2.9353 4.2495 4.2495 5.7265 5.7265 6.6291 6.6291 6.7510 6.7510 8.5996 8.5996 9.2119 9.2119 9.7396 9.7396 10.0738 10.0738 k = 0.2584 0.6937-0.0000 ( 3660 PWs) bands (ev): -27.6788 -27.6788 -27.6572 -27.6572 -10.5536 -10.5536 -10.4952 -10.4952 -9.4919 -9.4919 -9.4290 -9.4290 -9.3235 -9.3235 -9.2392 -9.2392 -1.4317 -1.4317 2.9467 2.9467 4.2377 4.2377 5.7257 5.7257 6.5669 6.5669 6.7876 6.7876 8.6139 8.6139 9.2368 9.2368 9.7290 9.7290 10.0893 10.0893 k = 0.2399 0.6937-0.0000 ( 3662 PWs) bands (ev): -27.6790 -27.6790 -27.6570 -27.6570 -10.5546 -10.5546 -10.4944 -10.4944 -9.4930 -9.4930 -9.4287 -9.4287 -9.3240 -9.3240 -9.2383 -9.2383 -1.4306 -1.4306 2.9569 2.9569 4.2295 4.2295 5.7251 5.7251 6.5041 6.5041 6.8233 6.8233 8.6270 8.6270 9.2580 9.2580 9.7167 9.7167 10.1186 10.1186 k = 0.2215 0.6937-0.0000 ( 3661 PWs) bands (ev): -27.6793 -27.6793 -27.6567 -27.6567 -10.5556 -10.5556 -10.4937 -10.4937 -9.4941 -9.4941 -9.4282 -9.4282 -9.3245 -9.3245 -9.2374 -9.2374 -1.4298 -1.4298 2.9656 2.9656 4.2249 4.2249 5.7248 5.7248 6.4420 6.4420 6.8570 6.8570 8.6390 8.6390 9.2750 9.2750 9.7032 9.7032 10.1618 10.1618 k = 0.2030 0.6937-0.0000 ( 3659 PWs) bands (ev): -27.6795 -27.6795 -27.6564 -27.6564 -10.5566 -10.5566 -10.4929 -10.4929 -9.4953 -9.4953 -9.4277 -9.4277 -9.3250 -9.3250 -9.2364 -9.2364 -1.4292 -1.4292 2.9729 2.9729 4.2237 4.2237 5.7246 5.7246 6.3815 6.3815 6.8881 6.8881 8.6500 8.6500 9.2878 9.2878 9.6886 9.6886 10.2181 10.2181 k = 0.1846 0.6937-0.0000 ( 3661 PWs) bands (ev): -27.6798 -27.6798 -27.6561 -27.6561 -10.5575 -10.5575 -10.4921 -10.4921 -9.4965 -9.4965 -9.4272 -9.4272 -9.3254 -9.3254 -9.2355 -9.2355 -1.4288 -1.4288 2.9788 2.9788 4.2257 4.2257 5.7246 5.7246 6.3231 6.3231 6.9166 6.9166 8.6603 8.6603 9.2971 9.2971 9.6735 9.6735 10.2861 10.2861 k = 0.1661 0.6937-0.0000 ( 3668 PWs) bands (ev): -27.6800 -27.6800 -27.6559 -27.6559 -10.5584 -10.5584 -10.4913 -10.4913 -9.4977 -9.4977 -9.4266 -9.4266 -9.3259 -9.3259 -9.2346 -9.2346 -1.4286 -1.4286 2.9833 2.9833 4.2305 4.2305 5.7248 5.7248 6.2674 6.2674 6.9422 6.9422 8.6697 8.6697 9.3037 9.3037 9.6583 9.6583 10.3643 10.3643 k = 0.1477 0.6937-0.0000 ( 3670 PWs) bands (ev): -27.6803 -27.6803 -27.6556 -27.6556 -10.5593 -10.5593 -10.4906 -10.4906 -9.4989 -9.4989 -9.4260 -9.4260 -9.3263 -9.3263 -9.2338 -9.2338 -1.4285 -1.4285 2.9865 2.9865 4.2376 4.2376 5.7250 5.7250 6.2152 6.2152 6.9649 6.9649 8.6783 8.6783 9.3084 9.3084 9.6433 9.6433 10.4507 10.4507 k = 0.1292 0.6937-0.0000 ( 3671 PWs) bands (ev): -27.6805 -27.6805 -27.6554 -27.6554 -10.5601 -10.5601 -10.4899 -10.4899 -9.4999 -9.4999 -9.4255 -9.4255 -9.3267 -9.3267 -9.2331 -9.2331 -1.4284 -1.4284 2.9887 2.9887 4.2463 4.2463 5.7253 5.7253 6.1669 6.1669 6.9847 6.9847 8.6861 8.6861 9.3119 9.3119 9.6290 9.6290 10.5439 10.5439 k = 0.1107 0.6937-0.0000 ( 3670 PWs) bands (ev): -27.6807 -27.6807 -27.6552 -27.6552 -10.5608 -10.5608 -10.4893 -10.4893 -9.5009 -9.5009 -9.4250 -9.4250 -9.3270 -9.3270 -9.2324 -9.2324 -1.4285 -1.4285 2.9901 2.9901 4.2560 4.2560 5.7257 5.7257 6.1232 6.1232 7.0017 7.0017 8.6930 8.6930 9.3148 9.3148 9.6159 9.6159 10.6421 10.6421 k = 0.0923 0.6937-0.0000 ( 3668 PWs) bands (ev): -27.6809 -27.6809 -27.6550 -27.6550 -10.5613 -10.5613 -10.4888 -10.4888 -9.5017 -9.5017 -9.4245 -9.4245 -9.3273 -9.3273 -9.2318 -9.2318 -1.4286 -1.4286 2.9907 2.9907 4.2658 4.2658 5.7260 5.7260 6.0848 6.0848 7.0158 7.0158 8.6988 8.6988 9.3172 9.3172 9.6042 9.6042 10.7438 10.7438 k = 0.0738 0.6937-0.0000 ( 3673 PWs) bands (ev): -27.6810 -27.6810 -27.6548 -27.6548 -10.5618 -10.5618 -10.4883 -10.4883 -9.5025 -9.5025 -9.4242 -9.4242 -9.3275 -9.3275 -9.2313 -9.2313 -1.4287 -1.4287 2.9910 2.9910 4.2752 4.2752 5.7263 5.7263 6.0523 6.0523 7.0272 7.0272 8.7037 8.7037 9.3193 9.3193 9.5942 9.5942 10.8471 10.8471 k = 0.0554 0.6937-0.0000 ( 3678 PWs) bands (ev): -27.6812 -27.6812 -27.6547 -27.6547 -10.5622 -10.5622 -10.4880 -10.4880 -9.5030 -9.5030 -9.4238 -9.4238 -9.3277 -9.3277 -9.2309 -9.2309 -1.4288 -1.4288 2.9910 2.9910 4.2833 4.2833 5.7266 5.7266 6.0263 6.0263 7.0360 7.0360 8.7075 8.7075 9.3211 9.3211 9.5862 9.5862 10.9488 10.9488 k = 0.0369 0.6937-0.0000 ( 3673 PWs) bands (ev): -27.6812 -27.6812 -27.6546 -27.6546 -10.5625 -10.5625 -10.4877 -10.4877 -9.5034 -9.5034 -9.4236 -9.4236 -9.3278 -9.3278 -9.2306 -9.2306 -1.4288 -1.4288 2.9909 2.9909 4.2896 4.2896 5.7268 5.7268 6.0073 6.0073 7.0422 7.0422 8.7103 8.7103 9.3225 9.3225 9.5803 9.5803 11.0337 11.0337 k = 0.0185 0.6937-0.0000 ( 3676 PWs) bands (ev): -27.6813 -27.6813 -27.6545 -27.6545 -10.5627 -10.5627 -10.4876 -10.4876 -9.5037 -9.5037 -9.4235 -9.4235 -9.3279 -9.3279 -9.2304 -9.2304 -1.4289 -1.4289 2.9907 2.9907 4.2936 4.2936 5.7269 5.7269 5.9958 5.9958 7.0459 7.0459 8.7119 8.7119 9.3234 9.3234 9.5768 9.5768 11.0627 11.0627 k = 0.0000 0.6937-0.0000 ( 3674 PWs) bands (ev): -27.6813 -27.6813 -27.6545 -27.6545 -10.5627 -10.5627 -10.4875 -10.4875 -9.5038 -9.5038 -9.4234 -9.4234 -9.3279 -9.3279 -9.2304 -9.2304 -1.4289 -1.4289 2.9907 2.9907 4.2950 4.2950 5.7269 5.7269 5.9919 5.9919 7.0471 7.0471 8.7125 8.7125 9.3237 9.3237 9.5756 9.5756 11.0672 11.0672 k = 0.0000 0.6937-0.0000 ( 3674 PWs) bands (ev): -27.6813 -27.6813 -27.6545 -27.6545 -10.5627 -10.5627 -10.4875 -10.4875 -9.5038 -9.5038 -9.4234 -9.4234 -9.3279 -9.3279 -9.2304 -9.2304 -1.4289 -1.4289 2.9907 2.9907 4.2950 4.2950 5.7269 5.7269 5.9919 5.9919 7.0471 7.0471 8.7125 8.7125 9.3237 9.3237 9.5756 9.5756 11.0672 11.0672 k = 0.0000 0.6937 0.0195 ( 3674 PWs) bands (ev): -27.6813 -27.6813 -27.6545 -27.6545 -10.5627 -10.5627 -10.4876 -10.4876 -9.5038 -9.5038 -9.4234 -9.4234 -9.3281 -9.3281 -9.2306 -9.2306 -1.4278 -1.4278 2.9892 2.9892 4.2959 4.2959 5.7203 5.7203 5.9932 5.9932 7.0465 7.0465 8.7240 8.7240 9.3237 9.3237 9.5679 9.5679 11.0668 11.0668 k = 0.0000 0.6937 0.0390 ( 3676 PWs) bands (ev): -27.6812 -27.6812 -27.6545 -27.6545 -10.5628 -10.5628 -10.4878 -10.4878 -9.5040 -9.5040 -9.4232 -9.4232 -9.3287 -9.3287 -9.2311 -9.2311 -1.4244 -1.4244 2.9845 2.9845 4.2989 4.2989 5.7007 5.7007 5.9973 5.9973 7.0445 7.0445 8.7583 8.7583 9.3238 9.3238 9.5452 9.5452 11.0656 11.0656 k = 0.0000 0.6937 0.0585 ( 3678 PWs) bands (ev): -27.6811 -27.6811 -27.6545 -27.6545 -10.5628 -10.5628 -10.4881 -10.4881 -9.5042 -9.5042 -9.4230 -9.4230 -9.3297 -9.3297 -9.2320 -9.2320 -1.4187 -1.4187 2.9767 2.9767 4.3038 4.3038 5.6694 5.6694 6.0039 6.0039 7.0411 7.0411 8.8140 8.8140 9.3239 9.3239 9.5089 9.5089 11.0628 11.0628 k = 0.0000 0.6937 0.0780 ( 3678 PWs) bands (ev): -27.6809 -27.6809 -27.6544 -27.6544 -10.5629 -10.5629 -10.4886 -10.4886 -9.5045 -9.5045 -9.4227 -9.4227 -9.3311 -9.3311 -9.2332 -9.2332 -1.4107 -1.4107 2.9654 2.9654 4.3107 4.3107 5.6283 5.6283 6.0131 6.0131 7.0365 7.0365 8.8892 8.8892 9.3241 9.3241 9.4607 9.4607 11.0542 11.0542 k = 0.0000 0.6937 0.0975 ( 3676 PWs) bands (ev): -27.6806 -27.6806 -27.6544 -27.6544 -10.5630 -10.5630 -10.4893 -10.4893 -9.5049 -9.5049 -9.4223 -9.4223 -9.3329 -9.3329 -9.2348 -9.2348 -1.4005 -1.4005 2.9504 2.9504 4.3196 4.3196 5.5796 5.5796 6.0246 6.0246 7.0306 7.0306 8.9814 8.9814 9.3245 9.3245 9.4026 9.4026 11.0297 11.0297 k = 0.0000 0.6937 0.1170 ( 3668 PWs) bands (ev): -27.6803 -27.6803 -27.6543 -27.6543 -10.5632 -10.5632 -10.4900 -10.4900 -9.5054 -9.5054 -9.4218 -9.4218 -9.3351 -9.3351 -9.2367 -9.2367 -1.3880 -1.3880 2.9314 2.9314 4.3304 4.3304 5.5258 5.5258 6.0383 6.0383 7.0235 7.0235 9.0870 9.0870 9.3243 9.3243 9.3388 9.3388 10.9965 10.9965 k = 0.0000 0.6937 0.1364 ( 3672 PWs) bands (ev): -27.6800 -27.6800 -27.6543 -27.6543 -10.5633 -10.5633 -10.4909 -10.4909 -9.5060 -9.5060 -9.4213 -9.4213 -9.3375 -9.3375 -9.2389 -9.2389 -1.3732 -1.3732 2.9079 2.9079 4.3430 4.3430 5.4691 5.4691 6.0538 6.0538 7.0153 7.0153 9.1978 9.1978 9.2640 9.2640 9.3364 9.3364 10.9618 10.9618 k = 0.0000 0.6937 0.1559 ( 3674 PWs) bands (ev): -27.6796 -27.6796 -27.6542 -27.6542 -10.5635 -10.5635 -10.4920 -10.4920 -9.5067 -9.5067 -9.4206 -9.4206 -9.3404 -9.3404 -9.2413 -9.2413 -1.3561 -1.3561 2.8797 2.8797 4.3576 4.3576 5.4119 5.4119 6.0708 6.0708 7.0062 7.0062 9.1867 9.1867 9.2765 9.2765 9.3886 9.3886 10.9273 10.9273 k = 0.0000 0.6937 0.1754 ( 3680 PWs) bands (ev): -27.6792 -27.6792 -27.6541 -27.6541 -10.5637 -10.5637 -10.4932 -10.4932 -9.5074 -9.5074 -9.4199 -9.4199 -9.3435 -9.3435 -9.2440 -9.2440 -1.3367 -1.3367 2.8463 2.8463 4.3739 4.3739 5.3559 5.3559 6.0889 6.0889 6.9962 6.9962 9.1074 9.1074 9.2922 9.2922 9.5106 9.5106 10.8937 10.8937 k = 0.0000 0.6937 0.1949 ( 3680 PWs) bands (ev): -27.6787 -27.6787 -27.6540 -27.6540 -10.5640 -10.5640 -10.4945 -10.4945 -9.5082 -9.5082 -9.4191 -9.4191 -9.3469 -9.3469 -9.2470 -9.2470 -1.3151 -1.3151 2.8073 2.8073 4.3919 4.3919 5.3031 5.3031 6.1075 6.1075 6.9857 6.9857 9.0259 9.0259 9.2914 9.2914 9.6547 9.6547 10.8617 10.8617 k = 0.0000 0.6937 0.2144 ( 3678 PWs) bands (ev): -27.6781 -27.6781 -27.6539 -27.6539 -10.5642 -10.5642 -10.4959 -10.4959 -9.5090 -9.5090 -9.4183 -9.4183 -9.3506 -9.3506 -9.2501 -9.2501 -1.2912 -1.2912 2.7626 2.7626 4.4115 4.4115 5.2549 5.2549 6.1261 6.1261 6.9750 6.9750 8.9435 8.9435 9.2859 9.2859 9.8068 9.8068 10.8317 10.8317 k = 0.0000 0.6937 0.2339 ( 3674 PWs) bands (ev): -27.6776 -27.6776 -27.6538 -27.6538 -10.5645 -10.5645 -10.4975 -10.4975 -9.5099 -9.5099 -9.4175 -9.4175 -9.3545 -9.3545 -9.2534 -9.2534 -1.2650 -1.2650 2.7120 2.7120 4.4325 4.4325 5.2125 5.2125 6.1440 6.1440 6.9644 6.9644 8.8609 8.8609 9.2774 9.2774 9.9625 9.9625 10.8042 10.8042 k = 0.0000 0.6937 0.2534 ( 3678 PWs) bands (ev): -27.6769 -27.6769 -27.6537 -27.6537 -10.5648 -10.5648 -10.4992 -10.4992 -9.5108 -9.5108 -9.4166 -9.4166 -9.3586 -9.3586 -9.2569 -9.2569 -1.2366 -1.2366 2.6553 2.6553 4.4548 4.4548 5.1768 5.1768 6.1602 6.1602 6.9545 6.9545 8.7789 8.7789 9.2663 9.2663 10.1186 10.1186 10.7798 10.7798 k = 0.0000 0.6937 0.2729 ( 3680 PWs) bands (ev): -27.6763 -27.6763 -27.6536 -27.6536 -10.5651 -10.5651 -10.5011 -10.5011 -9.5117 -9.5117 -9.4157 -9.4157 -9.3628 -9.3628 -9.2605 -9.2605 -1.2058 -1.2058 2.5928 2.5928 4.4781 4.4781 5.1486 5.1486 6.1740 6.1740 6.9459 6.9459 8.6979 8.6979 9.2528 9.2528 10.2718 10.2718 10.7588 10.7588 k = 0.0000 0.6937 0.2924 ( 3676 PWs) bands (ev): -27.6756 -27.6756 -27.6536 -27.6536 -10.5654 -10.5654 -10.5030 -10.5030 -9.5127 -9.5127 -9.4150 -9.4150 -9.3670 -9.3670 -9.2641 -9.2641 -1.1728 -1.1728 2.5245 2.5245 4.5022 4.5022 5.1284 5.1284 6.1844 6.1844 6.9389 6.9389 8.6185 8.6185 9.2367 9.2367 10.4179 10.4179 10.7416 10.7416 k = 0.0000 0.6937 0.3119 ( 3676 PWs) bands (ev): -27.6749 -27.6749 -27.6535 -27.6535 -10.5658 -10.5658 -10.5051 -10.5051 -9.5136 -9.5136 -9.4144 -9.4144 -9.3712 -9.3712 -9.2679 -9.2679 -1.1375 -1.1375 2.4509 2.4509 4.5269 4.5269 5.1164 5.1164 6.1904 6.1904 6.9343 6.9343 8.5413 8.5413 9.2181 9.2181 10.5520 10.5520 10.7285 10.7285 k = 0.0000 0.6937 0.3314 ( 3672 PWs) bands (ev): -27.6742 -27.6742 -27.6534 -27.6534 -10.5661 -10.5661 -10.5073 -10.5073 -9.5145 -9.5145 -9.4140 -9.4140 -9.3751 -9.3751 -9.2717 -9.2717 -1.1000 -1.1000 2.3724 2.3724 4.5520 4.5520 5.1127 5.1127 6.1912 6.1912 6.9322 6.9322 8.4667 8.4667 9.1970 9.1970 10.6694 10.6694 10.7200 10.7200 k = 0.0000 0.6937 0.3509 ( 3672 PWs) bands (ev): -27.6734 -27.6734 -27.6533 -27.6533 -10.5665 -10.5665 -10.5096 -10.5096 -9.5154 -9.5154 -9.4141 -9.4141 -9.3787 -9.3787 -9.2755 -9.2755 -1.0601 -1.0601 2.2894 2.2894 4.5773 4.5773 5.1171 5.1171 6.1863 6.1863 6.9329 6.9329 8.3953 8.3953 9.1734 9.1734 10.7156 10.7156 10.7678 10.7678 k = 0.0000 0.6937 0.3704 ( 3678 PWs) bands (ev): -27.6726 -27.6726 -27.6533 -27.6533 -10.5668 -10.5668 -10.5120 -10.5120 -9.5162 -9.5162 -9.4149 -9.4149 -9.3817 -9.3817 -9.2794 -9.2794 -1.0180 -1.0180 2.2025 2.2025 4.6029 4.6029 5.1294 5.1294 6.1753 6.1753 6.9358 6.9358 8.3276 8.3276 9.1474 9.1474 10.7165 10.7165 10.8466 10.8466 k = 0.0000 0.6937 0.3898 ( 3680 PWs) bands (ev): -27.6718 -27.6718 -27.6533 -27.6533 -10.5672 -10.5672 -10.5144 -10.5144 -9.5169 -9.5169 -9.4164 -9.4164 -9.3839 -9.3839 -9.2832 -9.2832 -0.9736 -0.9736 2.1123 2.1123 4.6287 4.6287 5.1492 5.1492 6.1583 6.1583 6.9404 6.9404 8.2642 8.2642 9.1192 9.1192 10.7222 10.7222 10.9100 10.9100 k = 0.0000 0.6937 0.4093 ( 3688 PWs) bands (ev): -27.6710 -27.6710 -27.6532 -27.6532 -10.5675 -10.5675 -10.5169 -10.5169 -9.5175 -9.5175 -9.4188 -9.4188 -9.3851 -9.3851 -9.2871 -9.2871 -0.9269 -0.9269 2.0192 2.0192 4.6548 4.6548 5.1758 5.1758 6.1356 6.1356 6.9456 6.9456 8.2061 8.2061 9.0888 9.0888 10.7328 10.7328 10.9620 10.9620 k = 0.0000 0.6937 0.4288 ( 3686 PWs) bands (ev): -27.6702 -27.6702 -27.6532 -27.6532 -10.5678 -10.5678 -10.5195 -10.5195 -9.5181 -9.5181 -9.4221 -9.4221 -9.3854 -9.3854 -9.2909 -9.2909 -0.8780 -0.8780 1.9238 1.9238 4.6815 4.6815 5.2086 5.2086 6.1075 6.1075 6.9499 6.9499 8.1539 8.1539 9.0564 9.0564 10.7484 10.7484 11.0062 11.0062 k = 0.0000 0.6937 0.4483 ( 3690 PWs) bands (ev): -27.6694 -27.6694 -27.6533 -27.6533 -10.5680 -10.5680 -10.5222 -10.5222 -9.5184 -9.5184 -9.4261 -9.4261 -9.3851 -9.3851 -9.2947 -9.2947 -0.8268 -0.8268 1.8266 1.8266 4.7088 4.7088 5.2470 5.2470 6.0747 6.0747 6.9518 6.9518 8.1088 8.1088 9.0222 9.0222 10.7688 10.7688 11.0449 11.0449 k = 0.0000 0.6937 0.4678 ( 3692 PWs) bands (ev): -27.6685 -27.6685 -27.6533 -27.6533 -10.5682 -10.5682 -10.5249 -10.5249 -9.5187 -9.5187 -9.4305 -9.4305 -9.3841 -9.3841 -9.2984 -9.2984 -0.7734 -0.7734 1.7281 1.7281 4.7370 4.7370 5.2903 5.2903 6.0379 6.0379 6.9497 6.9497 8.0716 8.0716 8.9864 8.9864 10.7939 10.7939 11.0797 11.0797 k = 0.0000 0.6937 0.4873 ( 3696 PWs) bands (ev): -27.6677 -27.6677 -27.6534 -27.6534 -10.5684 -10.5684 -10.5276 -10.5276 -9.5188 -9.5188 -9.4353 -9.4353 -9.3828 -9.3828 -9.3021 -9.3021 -0.7177 -0.7177 1.6286 1.6286 4.7662 4.7662 5.3380 5.3380 5.9976 5.9976 6.9420 6.9420 8.0431 8.0431 8.9492 8.9492 10.8236 10.8236 11.1115 11.1115 k = 0.0000 0.6937 0.5068 ( 3692 PWs) bands (ev): -27.6669 -27.6669 -27.6535 -27.6535 -10.5685 -10.5685 -10.5303 -10.5303 -9.5187 -9.5187 -9.4402 -9.4402 -9.3811 -9.3811 -9.3058 -9.3058 -0.6598 -0.6598 1.5286 1.5286 4.7966 4.7966 5.3895 5.3895 5.9545 5.9545 6.9277 6.9277 8.0239 8.0239 8.9106 8.9106 10.8576 10.8576 11.1408 11.1408 k = 0.0000 0.6937 0.5263 ( 3690 PWs) bands (ev): -27.6661 -27.6661 -27.6536 -27.6536 -10.5685 -10.5685 -10.5330 -10.5330 -9.5184 -9.5184 -9.4452 -9.4452 -9.3792 -9.3792 -9.3093 -9.3093 -0.5997 -0.5997 1.4283 1.4283 4.8283 4.8283 5.4444 5.4444 5.9091 5.9091 6.9059 6.9059 8.0142 8.0142 8.8710 8.8710 10.8955 10.8955 11.1680 11.1680 k = 0.0000 0.6937 0.5458 ( 3690 PWs) bands (ev): -27.6652 -27.6652 -27.6537 -27.6537 -10.5685 -10.5685 -10.5357 -10.5357 -9.5179 -9.5179 -9.4502 -9.4502 -9.3771 -9.3771 -9.3129 -9.3129 -0.5373 -0.5373 1.3282 1.3282 4.8613 4.8613 5.5020 5.5020 5.8620 5.8620 6.8766 6.8766 8.0136 8.0136 8.8304 8.8304 10.9369 10.9369 11.1935 11.1935 k = 0.0000 0.6937 0.5653 ( 3702 PWs) bands (ev): -27.6644 -27.6644 -27.6539 -27.6539 -10.5683 -10.5683 -10.5383 -10.5383 -9.5172 -9.5172 -9.4552 -9.4552 -9.3749 -9.3749 -9.3164 -9.3164 -0.4727 -0.4727 1.2283 1.2283 4.8957 4.8957 5.5622 5.5622 5.8135 5.8135 6.8401 6.8401 8.0216 8.0216 8.7890 8.7890 10.9814 10.9814 11.2176 11.2176 k = 0.0000 0.6937 0.5848 ( 3700 PWs) bands (ev): -27.6636 -27.6636 -27.6541 -27.6541 -10.5681 -10.5681 -10.5409 -10.5409 -9.5163 -9.5163 -9.4601 -9.4601 -9.3726 -9.3726 -9.3198 -9.3198 -0.4060 -0.4060 1.1291 1.1291 4.9315 4.9315 5.6242 5.6242 5.7642 5.7642 6.7969 6.7969 8.0370 8.0370 8.7469 8.7469 11.0284 11.0284 11.2406 11.2406 k = 0.0000 0.6937 0.6043 ( 3702 PWs) bands (ev): -27.6629 -27.6629 -27.6544 -27.6544 -10.5677 -10.5677 -10.5435 -10.5435 -9.5151 -9.5151 -9.4649 -9.4649 -9.3702 -9.3702 -9.3232 -9.3232 -0.3370 -0.3370 1.0306 1.0306 4.9687 4.9687 5.6847 5.6847 5.7176 5.7176 6.7479 6.7479 8.0588 8.0588 8.7042 8.7042 11.0773 11.0773 11.2628 11.2628 k = 0.0000 0.6937 0.6238 ( 3696 PWs) bands (ev): -27.6621 -27.6621 -27.6546 -27.6546 -10.5672 -10.5672 -10.5459 -10.5459 -9.5138 -9.5138 -9.4696 -9.4696 -9.3676 -9.3676 -9.3265 -9.3265 -0.2659 -0.2659 0.9331 0.9331 5.0072 5.0072 5.6608 5.6608 5.7567 5.7567 6.6939 6.6939 8.0859 8.0859 8.6611 8.6611 11.1271 11.1271 11.2843 11.2843 k = 0.0000 0.6937 0.6433 ( 3702 PWs) bands (ev): -27.6614 -27.6614 -27.6550 -27.6550 -10.5666 -10.5666 -10.5483 -10.5483 -9.5121 -9.5121 -9.4742 -9.4742 -9.3651 -9.3651 -9.3298 -9.3298 -0.1927 -0.1927 0.8368 0.8368 5.0472 5.0472 5.6106 5.6106 5.8231 5.8231 6.6360 6.6360 8.1173 8.1173 8.6176 8.6176 11.1771 11.1771 11.3054 11.3054 k = 0.0000 0.6937 0.6627 ( 3704 PWs) bands (ev): -27.6607 -27.6607 -27.6553 -27.6553 -10.5658 -10.5658 -10.5505 -10.5505 -9.5103 -9.5103 -9.4785 -9.4785 -9.3624 -9.3624 -9.3330 -9.3330 -0.1174 -0.1174 0.7417 0.7417 5.0885 5.0885 5.5600 5.5600 5.8911 5.8911 6.5747 6.5747 8.1521 8.1521 8.5738 8.5738 11.2259 11.2259 11.3260 11.3260 k = 0.0000 0.6937 0.6822 ( 3706 PWs) bands (ev): -27.6600 -27.6600 -27.6557 -27.6557 -10.5650 -10.5650 -10.5527 -10.5527 -9.5082 -9.5082 -9.4827 -9.4827 -9.3597 -9.3597 -9.3361 -9.3361 -0.0401 -0.0401 0.6480 0.6480 5.1311 5.1311 5.5095 5.5095 5.9601 5.9601 6.5109 6.5109 8.1895 8.1895 8.5299 8.5299 11.2721 11.2721 11.3457 11.3457 k = 0.0000 0.6937 0.7017 ( 3704 PWs) bands (ev): -27.6594 -27.6594 -27.6561 -27.6561 -10.5639 -10.5639 -10.5547 -10.5547 -9.5058 -9.5058 -9.4867 -9.4867 -9.3569 -9.3569 -9.3392 -9.3392 0.0394 0.0394 0.5559 0.5559 5.1749 5.1749 5.4594 5.4594 6.0296 6.0296 6.4450 6.4450 8.2289 8.2289 8.4858 8.4858 11.3140 11.3140 11.3638 11.3638 k = 0.0000 0.6937 0.7212 ( 3698 PWs) bands (ev): -27.6587 -27.6587 -27.6566 -27.6566 -10.5628 -10.5628 -10.5566 -10.5566 -9.5032 -9.5032 -9.4904 -9.4904 -9.3541 -9.3541 -9.3423 -9.3423 0.1208 0.1208 0.4653 0.4653 5.2198 5.2198 5.4099 5.4099 6.0996 6.0996 6.3775 6.3775 8.2698 8.2698 8.4419 8.4419 11.3489 11.3489 11.3787 11.3787 k = 0.0000 0.6937 0.7407 ( 3702 PWs) bands (ev): -27.6581 -27.6581 -27.6571 -27.6571 -10.5614 -10.5614 -10.5584 -10.5584 -9.5004 -9.5004 -9.4940 -9.4940 -9.3512 -9.3512 -9.3453 -9.3453 0.2041 0.2041 0.3765 0.3765 5.2659 5.2659 5.3610 5.3610 6.1696 6.1696 6.3089 6.3089 8.3119 8.3119 8.3981 8.3981 11.3742 11.3742 11.3877 11.3877 k = 0.0000 0.6937 0.7602 ( 3708 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5600 -10.5600 -10.5600 -10.5600 -9.4973 -9.4973 -9.4973 -9.4973 -9.3483 -9.3483 -9.3483 -9.3483 0.2894 0.2894 0.2894 0.2894 5.3130 5.3130 5.3130 5.3130 6.2395 6.2395 6.2395 6.2395 8.3547 8.3547 8.3547 8.3547 11.3871 11.3871 11.3871 11.3871 k = 0.0000 0.6937 0.7602 ( 3708 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5600 -10.5600 -10.5600 -10.5600 -9.4973 -9.4973 -9.4973 -9.4973 -9.3483 -9.3483 -9.3483 -9.3483 0.2894 0.2894 0.2894 0.2894 5.3130 5.3130 5.3130 5.3130 6.2395 6.2395 6.2395 6.2395 8.3547 8.3547 8.3547 8.3547 11.3871 11.3871 11.3871 11.3871 k = 0.0185 0.6937 0.7602 ( 3698 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5602 -10.5602 -10.5598 -10.5598 -9.5011 -9.5011 -9.4934 -9.4934 -9.3520 -9.3520 -9.3446 -9.3446 0.2890 0.2890 0.2901 0.2901 5.3111 5.3111 5.3125 5.3125 6.2392 6.2392 6.2410 6.2410 8.3555 8.3555 8.3573 8.3573 11.3874 11.3874 11.3888 11.3888 k = 0.0369 0.6937 0.7602 ( 3700 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5605 -10.5605 -10.5596 -10.5596 -9.5047 -9.5047 -9.4896 -9.4896 -9.3557 -9.3557 -9.3410 -9.3410 0.2889 0.2889 0.2911 0.2911 5.3067 5.3067 5.3095 5.3095 6.2401 6.2401 6.2438 6.2438 8.3595 8.3595 8.3632 8.3632 11.3895 11.3895 11.3924 11.3924 k = 0.0554 0.6937 0.7602 ( 3704 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5607 -10.5607 -10.5594 -10.5594 -9.5083 -9.5083 -9.4857 -9.4857 -9.3594 -9.3594 -9.3375 -9.3375 0.2891 0.2891 0.2925 0.2925 5.3001 5.3001 5.3042 5.3042 6.2423 6.2423 6.2477 6.2477 8.3668 8.3668 8.3723 8.3723 11.3931 11.3931 11.3977 11.3977 k = 0.0738 0.6937 0.7602 ( 3704 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5610 -10.5610 -10.5593 -10.5593 -9.5116 -9.5116 -9.4818 -9.4818 -9.3630 -9.3630 -9.3341 -9.3341 0.2897 0.2897 0.2941 0.2941 5.2913 5.2913 5.2967 5.2967 6.2456 6.2456 6.2527 6.2527 8.3771 8.3771 8.3843 8.3843 11.3967 11.3967 11.4039 11.4039 k = 0.0923 0.6937 0.7602 ( 3702 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5613 -10.5613 -10.5592 -10.5592 -9.5149 -9.5149 -9.4780 -9.4780 -9.3665 -9.3665 -9.3309 -9.3309 0.2905 0.2905 0.2960 0.2960 5.2807 5.2807 5.2873 5.2873 6.2498 6.2498 6.2585 6.2585 8.3901 8.3901 8.3989 8.3989 11.3893 11.3893 11.4011 11.4011 k = 0.1107 0.6937 0.7602 ( 3702 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5616 -10.5616 -10.5591 -10.5591 -9.5179 -9.5179 -9.4743 -9.4743 -9.3699 -9.3699 -9.3277 -9.3277 0.2916 0.2916 0.2981 0.2981 5.2685 5.2685 5.2763 5.2763 6.2549 6.2549 6.2651 6.2651 8.4056 8.4056 8.4158 8.4158 11.3438 11.3438 11.3535 11.3535 k = 0.1292 0.6937 0.7602 ( 3694 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5619 -10.5619 -10.5591 -10.5591 -9.5207 -9.5207 -9.4708 -9.4708 -9.3731 -9.3731 -9.3248 -9.3248 0.2929 0.2929 0.3004 0.3004 5.2551 5.2551 5.2640 5.2640 6.2607 6.2607 6.2723 6.2723 8.4229 8.4229 8.4344 8.4344 11.2801 11.2801 11.2886 11.2886 k = 0.1477 0.6937 0.7602 ( 3696 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5622 -10.5622 -10.5590 -10.5590 -9.5233 -9.5233 -9.4675 -9.4675 -9.3760 -9.3760 -9.3220 -9.3220 0.2945 0.2945 0.3028 0.3028 5.2408 5.2408 5.2507 5.2507 6.2670 6.2670 6.2798 6.2798 8.4418 8.4418 8.4544 8.4544 11.2120 11.2120 11.2201 11.2201 k = 0.1661 0.6937 0.7602 ( 3696 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5624 -10.5624 -10.5591 -10.5591 -9.5257 -9.5257 -9.4645 -9.4645 -9.3787 -9.3787 -9.3194 -9.3194 0.2962 0.2962 0.3053 0.3053 5.2259 5.2259 5.2367 5.2367 6.2736 6.2736 6.2876 6.2876 8.4615 8.4615 8.4751 8.4751 11.1432 11.1432 11.1509 11.1509 k = 0.1846 0.6937 0.7602 ( 3692 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5627 -10.5627 -10.5591 -10.5591 -9.5278 -9.5278 -9.4619 -9.4619 -9.3809 -9.3809 -9.3170 -9.3170 0.2980 0.2980 0.3079 0.3079 5.2109 5.2109 5.2223 5.2223 6.2805 6.2805 6.2956 6.2956 8.4814 8.4814 8.4958 8.4958 11.0756 11.0756 11.0831 11.0831 k = 0.2030 0.6937 0.7602 ( 3698 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5630 -10.5630 -10.5591 -10.5591 -9.5297 -9.5297 -9.4597 -9.4597 -9.3827 -9.3827 -9.3148 -9.3148 0.2999 0.2999 0.3105 0.3105 5.1959 5.1959 5.2080 5.2080 6.2875 6.2875 6.3034 6.3034 8.5010 8.5010 8.5159 8.5159 11.0109 11.0109 11.0181 11.0181 k = 0.2215 0.6937 0.7602 ( 3696 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5632 -10.5632 -10.5592 -10.5592 -9.5313 -9.5313 -9.4581 -9.4581 -9.3840 -9.3840 -9.3129 -9.3129 0.3018 0.3018 0.3131 0.3131 5.1814 5.1814 5.1939 5.1939 6.2944 6.2944 6.3112 6.3112 8.5194 8.5194 8.5347 8.5347 10.9504 10.9504 10.9573 10.9573 k = 0.2399 0.6937 0.7602 ( 3694 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5634 -10.5634 -10.5593 -10.5593 -9.5326 -9.5326 -9.4570 -9.4570 -9.3848 -9.3848 -9.3112 -9.3112 0.3038 0.3038 0.3155 0.3155 5.1676 5.1676 5.1805 5.1805 6.3013 6.3013 6.3187 6.3187 8.5359 8.5359 8.5515 8.5515 10.8953 10.8953 10.9017 10.9017 k = 0.2584 0.6937 0.7602 ( 3692 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5635 -10.5635 -10.5594 -10.5594 -9.5337 -9.5337 -9.4565 -9.4565 -9.3849 -9.3849 -9.3098 -9.3098 0.3056 0.3056 0.3178 0.3178 5.1548 5.1548 5.1678 5.1678 6.3079 6.3079 6.3259 6.3259 8.5500 8.5500 8.5656 8.5656 10.8463 10.8463 10.8523 10.8523 k = 0.2768 0.6937 0.7602 ( 3688 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5636 -10.5636 -10.5595 -10.5595 -9.5344 -9.5344 -9.4565 -9.4565 -9.3846 -9.3846 -9.3087 -9.3087 0.3074 0.3074 0.3199 0.3199 5.1431 5.1431 5.1563 5.1563 6.3143 6.3143 6.3326 6.3326 8.5610 8.5610 8.5764 8.5764 10.8043 10.8043 10.8098 10.8098 k = 0.2953 0.6937 0.7602 ( 3686 PWs) bands (ev): -27.6577 -27.6577 -27.6577 -27.6577 -10.5637 -10.5637 -10.5596 -10.5596 -9.5349 -9.5349 -9.4571 -9.4571 -9.3837 -9.3837 -9.3078 -9.3078 0.3090 0.3090 0.3218 0.3218 5.1330 5.1330 5.1460 5.1460 6.3203 6.3203 6.3389 6.3389 8.5684 8.5684 8.5834 8.5834 10.7699 10.7699 10.7748 10.7748 k = 0.2953 0.6937 0.7602 ( 3686 PWs) bands (ev): -27.6577 -27.6577 -27.6577 -27.6577 -10.5637 -10.5637 -10.5596 -10.5596 -9.5349 -9.5349 -9.4571 -9.4571 -9.3837 -9.3837 -9.3078 -9.3078 0.3090 0.3090 0.3218 0.3218 5.1330 5.1330 5.1460 5.1460 6.3203 6.3203 6.3389 6.3389 8.5684 8.5684 8.5834 8.5834 10.7699 10.7699 10.7748 10.7748 k = 0.2877 0.6759 0.7602 ( 3690 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5636 -10.5636 -10.5593 -10.5593 -9.5339 -9.5339 -9.4549 -9.4549 -9.3866 -9.3866 -9.3098 -9.3098 0.3050 0.3050 0.3172 0.3172 5.1582 5.1582 5.1718 5.1718 6.3050 6.3050 6.3229 6.3229 8.5545 8.5545 8.5709 8.5709 10.8468 10.8468 10.8535 10.8535 k = 0.2802 0.6581 0.7602 ( 3698 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5634 -10.5634 -10.5590 -10.5590 -9.5328 -9.5328 -9.4529 -9.4529 -9.3893 -9.3893 -9.3119 -9.3119 0.3010 0.3010 0.3125 0.3125 5.1836 5.1836 5.1978 5.1978 6.2903 6.2903 6.3073 6.3073 8.5417 8.5417 8.5595 8.5595 10.9086 10.9086 10.9178 10.9178 k = 0.2726 0.6403 0.7602 ( 3698 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5632 -10.5632 -10.5586 -10.5586 -9.5316 -9.5316 -9.4509 -9.4509 -9.3919 -9.3919 -9.3140 -9.3140 0.2970 0.2970 0.3079 0.3079 5.2090 5.2090 5.2239 5.2239 6.2762 6.2762 6.2923 6.2923 8.5296 8.5296 8.5489 8.5489 10.9443 10.9443 10.9566 10.9566 k = 0.2650 0.6226 0.7602 ( 3688 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5630 -10.5630 -10.5583 -10.5583 -9.5302 -9.5302 -9.4489 -9.4489 -9.3942 -9.3942 -9.3161 -9.3161 0.2931 0.2931 0.3032 0.3032 5.2341 5.2341 5.2498 5.2498 6.2631 6.2631 6.2780 6.2780 8.5179 8.5179 8.5388 8.5388 10.9439 10.9439 10.9585 10.9585 k = 0.2574 0.6048 0.7602 ( 3696 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5627 -10.5627 -10.5579 -10.5579 -9.5286 -9.5286 -9.4471 -9.4471 -9.3964 -9.3964 -9.3183 -9.3183 0.2892 0.2892 0.2986 0.2986 5.2588 5.2588 5.2752 5.2752 6.2510 6.2510 6.2647 6.2647 8.5061 8.5061 8.5286 8.5286 10.9102 10.9102 10.9252 10.9252 k = 0.2499 0.5870 0.7602 ( 3696 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5624 -10.5624 -10.5574 -10.5574 -9.5270 -9.5270 -9.4455 -9.4455 -9.3983 -9.3983 -9.3205 -9.3205 0.2854 0.2854 0.2940 0.2940 5.2827 5.2827 5.3001 5.3001 6.2401 6.2401 6.2524 6.2524 8.4939 8.4939 8.5181 8.5181 10.8567 10.8567 10.8706 10.8706 k = 0.2423 0.5692 0.7602 ( 3700 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5621 -10.5621 -10.5570 -10.5570 -9.5252 -9.5252 -9.4440 -9.4440 -9.3999 -9.3999 -9.3228 -9.3228 0.2818 0.2818 0.2895 0.2895 5.3057 5.3057 5.3241 5.3241 6.2305 6.2305 6.2413 6.2413 8.4809 8.4809 8.5067 8.5067 10.7953 10.7953 10.8077 10.8077 k = 0.2347 0.5514 0.7602 ( 3700 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5617 -10.5617 -10.5565 -10.5565 -9.5232 -9.5232 -9.4427 -9.4427 -9.4012 -9.4012 -9.3250 -9.3250 0.2782 0.2782 0.2851 0.2851 5.3276 5.3276 5.3469 5.3469 6.2224 6.2224 6.2316 6.2316 8.4667 8.4667 8.4941 8.4941 10.7330 10.7330 10.7438 10.7438 k = 0.2272 0.5336 0.7602 ( 3704 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5613 -10.5613 -10.5560 -10.5560 -9.5212 -9.5212 -9.4417 -9.4417 -9.4022 -9.4022 -9.3273 -9.3273 0.2748 0.2748 0.2809 0.2809 5.3482 5.3482 5.3685 5.3685 6.2159 6.2159 6.2235 6.2235 8.4511 8.4511 8.4800 8.4800 10.6736 10.6736 10.6830 10.6830 k = 0.2196 0.5158 0.7602 ( 3708 PWs) bands (ev): -27.6576 -27.6576 -27.6576 -27.6576 -10.5609 -10.5609 -10.5555 -10.5555 -9.5190 -9.5190 -9.4409 -9.4409 -9.4028 -9.4028 -9.3295 -9.3295 0.2716 0.2716 0.2768 0.2768 5.3672 5.3672 5.3884 5.3884 6.2111 6.2111 6.2171 6.2171 8.4337 8.4337 8.4641 8.4641 10.6190 10.6190 10.6272 10.6272 k = 0.2120 0.4980 0.7602 ( 3696 PWs) bands (ev): -27.6577 -27.6577 -27.6577 -27.6577 -10.5604 -10.5604 -10.5549 -10.5549 -9.5168 -9.5168 -9.4404 -9.4404 -9.4031 -9.4031 -9.3318 -9.3318 0.2685 0.2685 0.2729 0.2729 5.3846 5.3846 5.4067 5.4067 6.2080 6.2080 6.2124 6.2124 8.4144 8.4144 8.4461 8.4461 10.5705 10.5705 10.5776 10.5776 k = 0.2044 0.4803 0.7602 ( 3692 PWs) bands (ev): -27.6577 -27.6577 -27.6577 -27.6577 -10.5599 -10.5599 -10.5544 -10.5544 -9.5144 -9.5144 -9.4402 -9.4402 -9.4030 -9.4030 -9.3340 -9.3340 0.2655 0.2655 0.2692 0.2692 5.4002 5.4002 5.4231 5.4231 6.2068 6.2068 6.2097 6.2097 8.3932 8.3932 8.4259 8.4259 10.5287 10.5287 10.5350 10.5350 k = 0.1969 0.4625 0.7602 ( 3690 PWs) bands (ev): -27.6577 -27.6577 -27.6577 -27.6577 -10.5594 -10.5594 -10.5538 -10.5538 -9.5120 -9.5120 -9.4402 -9.4402 -9.4026 -9.4026 -9.3362 -9.3362 0.2627 0.2627 0.2656 0.2656 5.4140 5.4140 5.4375 5.4375 6.2074 6.2074 6.2088 6.2088 8.3699 8.3699 8.4034 8.4034 10.4937 10.4937 10.4996 10.4996 k = 0.1893 0.4447 0.7602 ( 3688 PWs) bands (ev): -27.6577 -27.6577 -27.6577 -27.6577 -10.5588 -10.5588 -10.5533 -10.5533 -9.5095 -9.5095 -9.4404 -9.4404 -9.4019 -9.4019 -9.3384 -9.3384 0.2601 0.2601 0.2622 0.2622 5.4259 5.4259 5.4499 5.4499 6.2097 6.2097 6.2098 6.2098 8.3447 8.3447 8.3787 8.3787 10.4657 10.4657 10.4714 10.4714 k = 0.1817 0.4269 0.7602 ( 3692 PWs) bands (ev): -27.6578 -27.6578 -27.6578 -27.6578 -10.5582 -10.5582 -10.5527 -10.5527 -9.5069 -9.5069 -9.4408 -9.4408 -9.4010 -9.4010 -9.3406 -9.3406 0.2577 0.2577 0.2591 0.2591 5.4360 5.4360 5.4603 5.4603 6.2126 6.2126 6.2136 6.2136 8.3177 8.3177 8.3520 8.3520 10.4444 10.4444 10.4503 10.4503 k = 0.1742 0.4091 0.7602 ( 3692 PWs) bands (ev): -27.6578 -27.6578 -27.6578 -27.6578 -10.5576 -10.5576 -10.5521 -10.5521 -9.5043 -9.5043 -9.4413 -9.4413 -9.3999 -9.3999 -9.3428 -9.3428 0.2554 0.2554 0.2561 0.2561 5.4444 5.4444 5.4687 5.4687 6.2171 6.2171 6.2190 6.2190 8.2892 8.2892 8.3235 8.3235 10.4295 10.4295 10.4359 10.4359 k = 0.1666 0.3913 0.7602 ( 3684 PWs) bands (ev): -27.6579 -27.6579 -27.6579 -27.6579 -10.5570 -10.5570 -10.5515 -10.5515 -9.5016 -9.5016 -9.4419 -9.4419 -9.3986 -9.3986 -9.3449 -9.3449 0.2533 0.2533 0.2533 0.2533 5.4512 5.4512 5.4753 5.4753 6.2231 6.2231 6.2257 6.2257 8.2594 8.2594 8.2934 8.2934 10.4206 10.4206 10.4277 10.4277 k = 0.1590 0.3735 0.7602 ( 3680 PWs) bands (ev): -27.6579 -27.6579 -27.6579 -27.6579 -10.5563 -10.5563 -10.5509 -10.5509 -9.4989 -9.4989 -9.4426 -9.4426 -9.3973 -9.3973 -9.3469 -9.3469 0.2507 0.2507 0.2513 0.2513 5.4565 5.4565 5.4802 5.4802 6.2303 6.2303 6.2335 6.2335 8.2287 8.2287 8.2621 8.2621 10.4171 10.4171 10.4252 10.4252 k = 0.1514 0.3557 0.7602 ( 3684 PWs) bands (ev): -27.6580 -27.6580 -27.6580 -27.6580 -10.5556 -10.5556 -10.5503 -10.5503 -9.4962 -9.4962 -9.4433 -9.4433 -9.3959 -9.3959 -9.3489 -9.3489 0.2484 0.2484 0.2494 0.2494 5.4606 5.4606 5.4837 5.4837 6.2386 6.2386 6.2422 6.2422 8.1975 8.1975 8.2301 8.2301 10.4184 10.4184 10.4276 10.4276 k = 0.1439 0.3380 0.7602 ( 3700 PWs) bands (ev): -27.6580 -27.6580 -27.6580 -27.6580 -10.5550 -10.5550 -10.5498 -10.5498 -9.4935 -9.4935 -9.4440 -9.4440 -9.3944 -9.3944 -9.3509 -9.3509 0.2462 0.2462 0.2477 0.2477 5.4635 5.4635 5.4858 5.4858 6.2477 6.2477 6.2515 6.2515 8.1660 8.1660 8.1977 8.1977 10.4237 10.4237 10.4342 10.4342 k = 0.1363 0.3202 0.7602 ( 3698 PWs) bands (ev): -27.6581 -27.6581 -27.6581 -27.6581 -10.5543 -10.5543 -10.5492 -10.5492 -9.4907 -9.4907 -9.4447 -9.4447 -9.3930 -9.3930 -9.3528 -9.3528 0.2442 0.2442 0.2461 0.2461 5.4655 5.4655 5.4869 5.4869 6.2574 6.2574 6.2612 6.2612 8.1347 8.1347 8.1652 8.1652 10.4324 10.4324 10.4443 10.4443 k = 0.1287 0.3024 0.7602 ( 3698 PWs) bands (ev): -27.6581 -27.6581 -27.6581 -27.6581 -10.5536 -10.5536 -10.5487 -10.5487 -9.4880 -9.4880 -9.4454 -9.4454 -9.3915 -9.3915 -9.3546 -9.3546 0.2423 0.2423 0.2447 0.2447 5.4667 5.4667 5.4870 5.4870 6.2673 6.2673 6.2711 6.2711 8.1038 8.1038 8.1330 8.1330 10.4437 10.4437 10.4570 10.4570 k = 0.1211 0.2846 0.7602 ( 3698 PWs) bands (ev): -27.6582 -27.6582 -27.6582 -27.6582 -10.5529 -10.5529 -10.5482 -10.5482 -9.4854 -9.4854 -9.4461 -9.4461 -9.3901 -9.3901 -9.3564 -9.3564 0.2406 0.2406 0.2433 0.2433 5.4674 5.4674 5.4865 5.4865 6.2774 6.2774 6.2810 6.2810 8.0738 8.0738 8.1016 8.1016 10.4569 10.4569 10.4716 10.4716 k = 0.1136 0.2668 0.7602 ( 3698 PWs) bands (ev): -27.6582 -27.6582 -27.6582 -27.6582 -10.5522 -10.5522 -10.5477 -10.5477 -9.4828 -9.4828 -9.4467 -9.4467 -9.3887 -9.3887 -9.3581 -9.3581 0.2391 0.2391 0.2420 0.2420 5.4677 5.4677 5.4855 5.4855 6.2873 6.2873 6.2906 6.2906 8.0448 8.0448 8.0710 8.0710 10.4713 10.4713 10.4872 10.4872 k = 0.1060 0.2490 0.7602 ( 3698 PWs) bands (ev): -27.6583 -27.6583 -27.6583 -27.6583 -10.5516 -10.5516 -10.5472 -10.5472 -9.4802 -9.4802 -9.4473 -9.4473 -9.3874 -9.3874 -9.3597 -9.3597 0.2378 0.2378 0.2409 0.2409 5.4676 5.4676 5.4842 5.4842 6.2969 6.2969 6.3000 6.3000 8.0171 8.0171 8.0417 8.0417 10.4862 10.4862 10.5031 10.5031 k = 0.0984 0.2312 0.7602 ( 3690 PWs) bands (ev): -27.6583 -27.6583 -27.6583 -27.6583 -10.5509 -10.5509 -10.5468 -10.5468 -9.4777 -9.4777 -9.4479 -9.4479 -9.3861 -9.3861 -9.3613 -9.3613 0.2366 0.2366 0.2398 0.2398 5.4673 5.4673 5.4826 5.4826 6.3061 6.3061 6.3088 6.3088 7.9909 7.9909 8.0139 8.0139 10.5009 10.5009 10.5187 10.5187 k = 0.0909 0.2134 0.7602 ( 3686 PWs) bands (ev): -27.6584 -27.6584 -27.6584 -27.6584 -10.5503 -10.5503 -10.5464 -10.5464 -9.4753 -9.4753 -9.4484 -9.4484 -9.3848 -9.3848 -9.3628 -9.3628 0.2355 0.2355 0.2388 0.2388 5.4670 5.4670 5.4809 5.4809 6.3147 6.3147 6.3171 6.3171 7.9664 7.9664 7.9877 7.9877 10.5149 10.5149 10.5332 10.5332 k = 0.0833 0.1957 0.7602 ( 3690 PWs) bands (ev): -27.6584 -27.6584 -27.6584 -27.6584 -10.5496 -10.5496 -10.5460 -10.5460 -9.4730 -9.4730 -9.4489 -9.4489 -9.3837 -9.3837 -9.3641 -9.3641 0.2346 0.2346 0.2378 0.2378 5.4666 5.4666 5.4791 5.4791 6.3226 6.3226 6.3247 6.3247 7.9437 7.9437 7.9632 7.9632 10.5278 10.5278 10.5464 10.5464 k = 0.0757 0.1779 0.7602 ( 3694 PWs) bands (ev): -27.6585 -27.6585 -27.6585 -27.6585 -10.5490 -10.5490 -10.5457 -10.5457 -9.4708 -9.4708 -9.4495 -9.4495 -9.3826 -9.3826 -9.3654 -9.3654 0.2338 0.2338 0.2369 0.2369 5.4662 5.4662 5.4774 5.4774 6.3298 6.3298 6.3316 6.3316 7.9230 7.9230 7.9407 7.9407 10.5393 10.5393 10.5577 10.5577 k = 0.0681 0.1601 0.7602 ( 3706 PWs) bands (ev): -27.6585 -27.6585 -27.6585 -27.6585 -10.5485 -10.5485 -10.5454 -10.5454 -9.4687 -9.4687 -9.4500 -9.4500 -9.3815 -9.3815 -9.3666 -9.3666 0.2331 0.2331 0.2361 0.2361 5.4659 5.4659 5.4758 5.4758 6.3362 6.3362 6.3377 6.3377 7.9042 7.9042 7.9201 7.9201 10.5492 10.5492 10.5669 10.5669 k = 0.0606 0.1423 0.7602 ( 3714 PWs) bands (ev): -27.6585 -27.6585 -27.6585 -27.6585 -10.5479 -10.5479 -10.5452 -10.5452 -9.4668 -9.4668 -9.4505 -9.4505 -9.3806 -9.3806 -9.3678 -9.3678 0.2325 0.2325 0.2353 0.2353 5.4657 5.4657 5.4744 5.4744 6.3419 6.3419 6.3431 6.3431 7.8874 7.8874 7.9015 7.9015 10.5574 10.5574 10.5742 10.5742 k = 0.0530 0.1245 0.7602 ( 3714 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5474 -10.5474 -10.5450 -10.5450 -9.4649 -9.4649 -9.4510 -9.4510 -9.3797 -9.3797 -9.3688 -9.3688 0.2320 0.2320 0.2346 0.2346 5.4656 5.4656 5.4730 5.4730 6.3468 6.3468 6.3478 6.3478 7.8727 7.8727 7.8851 7.8851 10.5640 10.5640 10.5794 10.5794 k = 0.0454 0.1067 0.7602 ( 3710 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5470 -10.5470 -10.5449 -10.5449 -9.4632 -9.4632 -9.4515 -9.4515 -9.3788 -9.3788 -9.3698 -9.3698 0.2316 0.2316 0.2340 0.2340 5.4656 5.4656 5.4718 5.4718 6.3510 6.3510 6.3517 6.3517 7.8602 7.8602 7.8707 7.8707 10.5691 10.5691 10.5829 10.5829 k = 0.0379 0.0889 0.7602 ( 3710 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5465 -10.5465 -10.5448 -10.5448 -9.4616 -9.4616 -9.4520 -9.4520 -9.3780 -9.3780 -9.3707 -9.3707 0.2314 0.2314 0.2334 0.2334 5.4656 5.4656 5.4708 5.4708 6.3544 6.3544 6.3550 6.3550 7.8497 7.8497 7.8584 7.8584 10.5731 10.5731 10.5850 10.5850 k = 0.0303 0.0711 0.7602 ( 3718 PWs) bands (ev): -27.6587 -27.6587 -27.6587 -27.6587 -10.5462 -10.5462 -10.5447 -10.5447 -9.4602 -9.4602 -9.4526 -9.4526 -9.3773 -9.3773 -9.3716 -9.3716 0.2312 0.2312 0.2329 0.2329 5.4658 5.4658 5.4699 5.4699 6.3571 6.3571 6.3576 6.3576 7.8412 7.8412 7.8482 7.8482 10.5760 10.5760 10.5858 10.5858 k = 0.0227 0.0534 0.7602 ( 3710 PWs) bands (ev): -27.6587 -27.6587 -27.6587 -27.6587 -10.5458 -10.5458 -10.5447 -10.5447 -9.4589 -9.4589 -9.4533 -9.4533 -9.3766 -9.3766 -9.3723 -9.3723 0.2311 0.2311 0.2324 0.2324 5.4660 5.4660 5.4691 5.4691 6.3592 6.3592 6.3595 6.3595 7.8349 7.8349 7.8402 7.8402 10.5783 10.5783 10.5858 10.5858 k = 0.0151 0.0356 0.7602 ( 3710 PWs) bands (ev): -27.6587 -27.6587 -27.6587 -27.6587 -10.5455 -10.5455 -10.5448 -10.5448 -9.4577 -9.4577 -9.4540 -9.4540 -9.3759 -9.3759 -9.3731 -9.3731 0.2312 0.2312 0.2320 0.2320 5.4664 5.4664 5.4684 5.4684 6.3607 6.3607 6.3609 6.3609 7.8306 7.8306 7.8341 7.8341 10.5801 10.5801 10.5851 10.5851 k = 0.0076 0.0178 0.7602 ( 3702 PWs) bands (ev): -27.6587 -27.6587 -27.6587 -27.6587 -10.5453 -10.5453 -10.5449 -10.5449 -9.4566 -9.4566 -9.4548 -9.4548 -9.3752 -9.3752 -9.3738 -9.3738 0.2312 0.2312 0.2317 0.2317 5.4668 5.4668 5.4678 5.4678 6.3616 6.3616 6.3617 6.3617 7.8284 7.8284 7.8302 7.8302 10.5816 10.5816 10.5842 10.5842 k = 0.0000 0.0000 0.7602 ( 3704 PWs) bands (ev): -27.6587 -27.6587 -27.6587 -27.6587 -10.5451 -10.5451 -10.5451 -10.5451 -9.4556 -9.4556 -9.4556 -9.4556 -9.3745 -9.3745 -9.3745 -9.3745 0.2314 0.2314 0.2314 0.2314 5.4672 5.4672 5.4672 5.4672 6.3619 6.3619 6.3619 6.3619 7.8283 7.8283 7.8283 7.8283 10.5830 10.5830 10.5830 10.5830 k = 0.0000 0.0000 0.7602 ( 3704 PWs) bands (ev): -27.6587 -27.6587 -27.6587 -27.6587 -10.5451 -10.5451 -10.5451 -10.5451 -9.4556 -9.4556 -9.4556 -9.4556 -9.3745 -9.3745 -9.3745 -9.3745 0.2314 0.2314 0.2314 0.2314 5.4672 5.4672 5.4672 5.4672 6.3619 6.3619 6.3619 6.3619 7.8283 7.8283 7.8283 7.8283 10.5830 10.5830 10.5830 10.5830 k = 0.0000 0.0000 0.7407 ( 3702 PWs) bands (ev): -27.6597 -27.6597 -27.6577 -27.6577 -10.5486 -10.5486 -10.5414 -10.5414 -9.4599 -9.4599 -9.4512 -9.4512 -9.3779 -9.3779 -9.3710 -9.3710 0.1318 0.1318 0.3327 0.3327 5.3863 5.3863 5.5488 5.5488 6.3179 6.3179 6.4079 6.4079 7.7719 7.7719 7.8874 7.8874 10.5356 10.5356 10.6270 10.6270 k = 0.0000 0.0000 0.7212 ( 3698 PWs) bands (ev): -27.6607 -27.6607 -27.6568 -27.6568 -10.5519 -10.5519 -10.5376 -10.5376 -9.4638 -9.4638 -9.4466 -9.4466 -9.3811 -9.3811 -9.3674 -9.3674 0.0340 0.0340 0.4355 0.4355 5.3065 5.3065 5.6304 5.6304 6.2757 6.2757 6.4558 6.4558 7.7187 7.7187 7.9488 7.9488 10.4858 10.4858 10.6668 10.6668 k = 0.0000 0.0000 0.7017 ( 3706 PWs) bands (ev): -27.6618 -27.6618 -27.6559 -27.6559 -10.5551 -10.5551 -10.5336 -10.5336 -9.4676 -9.4676 -9.4419 -9.4419 -9.3840 -9.3840 -9.3637 -9.3637 -0.0620 -0.0620 0.5398 0.5398 5.2284 5.2284 5.7114 5.7114 6.2353 6.2353 6.5057 6.5057 7.6693 7.6693 8.0121 8.0121 10.4342 10.4342 10.7009 10.7009 k = 0.0000 0.0000 0.6822 ( 3706 PWs) bands (ev): -27.6629 -27.6629 -27.6550 -27.6550 -10.5581 -10.5581 -10.5295 -10.5295 -9.4711 -9.4711 -9.4370 -9.4370 -9.3867 -9.3867 -9.3600 -9.3600 -0.1561 -0.1561 0.6453 0.6453 5.1522 5.1522 5.7907 5.7907 6.1968 6.1968 6.5575 6.5575 7.6246 7.6246 8.0770 8.0770 10.3813 10.3813 10.7282 10.7282 k = 0.0000 0.0000 0.6627 ( 3712 PWs) bands (ev): -27.6640 -27.6640 -27.6542 -27.6542 -10.5609 -10.5609 -10.5252 -10.5252 -9.4744 -9.4744 -9.4322 -9.4322 -9.3890 -9.3890 -9.3562 -9.3562 -0.2482 -0.2482 0.7519 0.7519 5.0784 5.0784 5.8675 5.8675 6.1600 6.1600 6.6114 6.6114 7.5857 7.5857 8.1433 8.1433 10.3278 10.3278 10.7469 10.7469 k = 0.0000 0.0000 0.6433 ( 3716 PWs) bands (ev): -27.6652 -27.6652 -27.6534 -27.6534 -10.5636 -10.5636 -10.5209 -10.5209 -9.4776 -9.4776 -9.4275 -9.4275 -9.3906 -9.3906 -9.3523 -9.3523 -0.3382 -0.3382 0.8595 0.8595 5.0073 5.0073 5.9402 5.9402 6.1250 6.1250 6.6673 6.6673 7.5536 7.5536 8.2106 8.2106 10.2739 10.2739 10.7555 10.7555 k = 0.0000 0.0000 0.6238 ( 3716 PWs) bands (ev): -27.6663 -27.6663 -27.6527 -27.6527 -10.5661 -10.5661 -10.5164 -10.5164 -9.4805 -9.4805 -9.4233 -9.4233 -9.3914 -9.3914 -9.3485 -9.3485 -0.4261 -0.4261 0.9679 0.9679 4.9392 4.9392 6.0069 6.0069 6.0922 6.0922 6.7252 6.7252 7.5299 7.5299 8.2789 8.2789 10.2200 10.2200 10.7525 10.7525 k = 0.0000 0.0000 0.6043 ( 3708 PWs) bands (ev): -27.6675 -27.6675 -27.6520 -27.6520 -10.5684 -10.5684 -10.5118 -10.5118 -9.4833 -9.4833 -9.4199 -9.4199 -9.3909 -9.3909 -9.3446 -9.3446 -0.5118 -0.5118 1.0767 1.0767 4.8744 4.8744 6.0521 6.0521 6.0755 6.0755 6.7851 6.7851 7.5163 7.5163 8.3478 8.3478 10.1665 10.1665 10.7366 10.7366 k = 0.0000 0.0000 0.5848 ( 3704 PWs) bands (ev): -27.6687 -27.6687 -27.6513 -27.6513 -10.5706 -10.5706 -10.5071 -10.5071 -9.4859 -9.4859 -9.4176 -9.4176 -9.3890 -9.3890 -9.3406 -9.3406 -0.5953 -0.5953 1.1857 1.1857 4.8134 4.8134 6.0273 6.0273 6.1215 6.1215 6.8471 6.8471 7.5143 7.5143 8.4169 8.4169 10.1135 10.1135 10.7073 10.7073 k = 0.0000 0.0000 0.5653 ( 3708 PWs) bands (ev): -27.6699 -27.6699 -27.6507 -27.6507 -10.5727 -10.5727 -10.5024 -10.5024 -9.4885 -9.4885 -9.4164 -9.4164 -9.3856 -9.3856 -9.3366 -9.3366 -0.6765 -0.6765 1.2945 1.2945 4.7566 4.7566 5.9989 5.9989 6.1622 6.1622 6.9110 6.9110 7.5256 7.5256 8.4861 8.4861 10.0614 10.0614 10.6649 10.6649 k = 0.0000 0.0000 0.5458 ( 3700 PWs) bands (ev): -27.6711 -27.6711 -27.6501 -27.6501 -10.5746 -10.5746 -10.4976 -10.4976 -9.4910 -9.4910 -9.4159 -9.4159 -9.3810 -9.3810 -9.3325 -9.3325 -0.7554 -0.7554 1.4029 1.4029 4.7042 4.7042 5.9716 5.9716 6.1918 6.1918 6.9770 6.9770 7.5509 7.5509 8.5547 8.5547 10.0104 10.0104 10.6104 10.6104 k = 0.0000 0.0000 0.5263 ( 3704 PWs) bands (ev): -27.6723 -27.6723 -27.6495 -27.6495 -10.5764 -10.5764 -10.4928 -10.4928 -9.4934 -9.4934 -9.4157 -9.4157 -9.3757 -9.3757 -9.3283 -9.3283 -0.8319 -0.8319 1.5103 1.5103 4.6569 4.6569 5.9456 5.9456 6.2097 6.2097 7.0449 7.0449 7.5908 7.5908 8.6224 8.6224 9.9607 9.9607 10.5459 10.5459 k = 0.0000 0.0000 0.5068 ( 3700 PWs) bands (ev): -27.6736 -27.6736 -27.6490 -27.6490 -10.5781 -10.5781 -10.4880 -10.4880 -9.4958 -9.4958 -9.4157 -9.4157 -9.3700 -9.3700 -9.3240 -9.3240 -0.9061 -0.9061 1.6162 1.6162 4.6150 4.6150 5.9210 5.9210 6.2163 6.2163 7.1148 7.1148 7.6445 7.6445 8.6882 8.6882 9.9127 9.9127 10.4736 10.4736 k = 0.0000 0.0000 0.4873 ( 3694 PWs) bands (ev): -27.6748 -27.6748 -27.6486 -27.6486 -10.5797 -10.5797 -10.4832 -10.4832 -9.4982 -9.4982 -9.4155 -9.4155 -9.3641 -9.3641 -9.3195 -9.3195 -0.9778 -0.9778 1.7201 1.7201 4.5793 4.5793 5.8976 5.8976 6.2127 6.2127 7.1866 7.1866 7.7109 7.7109 8.7512 8.7512 9.8667 9.8667 10.3966 10.3966 k = 0.0000 0.0000 0.4678 ( 3694 PWs) bands (ev): -27.6760 -27.6760 -27.6481 -27.6481 -10.5811 -10.5811 -10.4784 -10.4784 -9.5006 -9.5006 -9.4152 -9.4152 -9.3582 -9.3582 -9.3147 -9.3147 -1.0470 -1.0470 1.8214 1.8214 4.5503 4.5503 5.8754 5.8754 6.2003 6.2003 7.2601 7.2601 7.7883 7.7883 8.8100 8.8100 9.8229 9.8229 10.3180 10.3180 k = 0.0000 0.0000 0.4483 ( 3690 PWs) bands (ev): -27.6772 -27.6772 -27.6477 -27.6477 -10.5825 -10.5825 -10.4737 -10.4737 -9.5030 -9.5030 -9.4146 -9.4146 -9.3526 -9.3526 -9.3097 -9.3097 -1.1137 -1.1137 1.9192 1.9192 4.5288 4.5288 5.8544 5.8544 6.1809 6.1809 7.3354 7.3354 7.8748 7.8748 8.8627 8.8627 9.7819 9.7819 10.2412 10.2412 k = 0.0000 0.0000 0.4288 ( 3692 PWs) bands (ev): -27.6783 -27.6783 -27.6473 -27.6473 -10.5838 -10.5838 -10.4690 -10.4690 -9.5054 -9.5054 -9.4137 -9.4137 -9.3471 -9.3471 -9.3044 -9.3044 -1.1779 -1.1779 2.0128 2.0128 4.5154 4.5154 5.8346 5.8346 6.1558 6.1558 7.4124 7.4124 7.9686 7.9686 8.9068 8.9068 9.7441 9.7441 10.1700 10.1700 k = 0.0000 0.0000 0.4093 ( 3688 PWs) bands (ev): -27.6795 -27.6795 -27.6470 -27.6470 -10.5850 -10.5850 -10.4644 -10.4644 -9.5079 -9.5079 -9.4125 -9.4125 -9.3421 -9.3421 -9.2987 -9.2987 -1.2395 -1.2395 2.1015 2.1015 4.5110 4.5110 5.8160 5.8160 6.1265 6.1265 7.4909 7.4909 8.0677 8.0677 8.9390 8.9390 9.7102 9.7102 10.1087 10.1087 k = 0.0000 0.0000 0.3898 ( 3704 PWs) bands (ev): -27.6806 -27.6806 -27.6467 -27.6467 -10.5861 -10.5861 -10.4599 -10.4599 -9.5104 -9.5104 -9.4110 -9.4110 -9.3374 -9.3374 -9.2927 -9.2927 -1.2985 -1.2985 2.1843 2.1843 4.5162 4.5162 5.7984 5.7984 6.0943 6.0943 7.5708 7.5708 8.1703 8.1703 8.9558 8.9558 9.6811 9.6811 10.0615 10.0615 k = 0.0000 0.0000 0.3704 ( 3714 PWs) bands (ev): -27.6818 -27.6818 -27.6464 -27.6464 -10.5872 -10.5872 -10.4555 -10.4555 -9.5128 -9.5128 -9.4093 -9.4093 -9.3332 -9.3332 -9.2865 -9.2865 -1.3548 -1.3548 2.2606 2.2606 4.5319 4.5319 5.7818 5.7818 6.0600 6.0600 7.6520 7.6520 8.2744 8.2744 8.9540 8.9540 9.6578 9.6578 10.0321 10.0321 k = 0.0000 0.0000 0.3509 ( 3714 PWs) bands (ev): -27.6828 -27.6828 -27.6462 -27.6462 -10.5881 -10.5881 -10.4513 -10.4513 -9.5153 -9.5153 -9.4073 -9.4073 -9.3293 -9.3293 -9.2800 -9.2800 -1.4085 -1.4085 2.3296 2.3296 4.5585 4.5585 5.7663 5.7663 6.0244 6.0244 7.7342 7.7342 8.3778 8.3778 8.9318 8.9318 9.6420 9.6420 10.0226 10.0226 k = 0.0000 0.0000 0.3314 ( 3704 PWs) bands (ev): -27.6839 -27.6839 -27.6459 -27.6459 -10.5891 -10.5891 -10.4472 -10.4472 -9.5177 -9.5177 -9.4052 -9.4052 -9.3258 -9.3258 -9.2733 -9.2733 -1.4595 -1.4595 2.3911 2.3911 4.5963 4.5963 5.7517 5.7517 5.9884 5.9884 7.8174 7.8174 8.4780 8.4780 8.8895 8.8895 9.6357 9.6357 10.0326 10.0326 k = 0.0000 0.0000 0.3119 ( 3710 PWs) bands (ev): -27.6849 -27.6849 -27.6457 -27.6457 -10.5899 -10.5899 -10.4432 -10.4432 -9.5201 -9.5201 -9.4028 -9.4028 -9.3227 -9.3227 -9.2666 -9.2666 -1.5077 -1.5077 2.4446 2.4446 4.6454 4.6454 5.7382 5.7382 5.9523 5.9523 7.9012 7.9012 8.5720 8.5720 8.8298 8.8298 9.6414 9.6414 10.0595 10.0595 k = 0.0000 0.0000 0.2924 ( 3710 PWs) bands (ev): -27.6859 -27.6859 -27.6456 -27.6456 -10.5907 -10.5907 -10.4394 -10.4394 -9.5224 -9.5224 -9.4004 -9.4004 -9.3199 -9.3199 -9.2599 -9.2599 -1.5532 -1.5532 2.4904 2.4904 4.7056 4.7056 5.7255 5.7255 5.9167 5.9167 7.9853 7.9853 8.6565 8.6565 8.7557 8.7557 9.6621 9.6621 10.0999 10.0999 k = 0.0000 0.0000 0.2729 ( 3710 PWs) bands (ev): -27.6868 -27.6868 -27.6454 -27.6454 -10.5915 -10.5915 -10.4359 -10.4359 -9.5246 -9.5246 -9.3978 -9.3978 -9.3174 -9.3174 -9.2532 -9.2532 -1.5959 -1.5959 2.5287 2.5287 4.7763 4.7763 5.7137 5.7137 5.8820 5.8820 8.0694 8.0694 8.6704 8.6704 8.7287 8.7287 9.7006 9.7006 10.1499 10.1499 k = 0.0000 0.0000 0.2534 ( 3706 PWs) bands (ev): -27.6877 -27.6877 -27.6453 -27.6453 -10.5922 -10.5922 -10.4325 -10.4325 -9.5268 -9.5268 -9.3953 -9.3953 -9.3151 -9.3151 -9.2468 -9.2468 -1.6358 -1.6358 2.5601 2.5601 4.8567 4.8567 5.7029 5.7029 5.8485 5.8485 8.1531 8.1531 8.5771 8.5771 8.7861 8.7861 9.7586 9.7586 10.2066 10.2066 k = 0.0000 0.0000 0.2339 ( 3702 PWs) bands (ev): -27.6885 -27.6885 -27.6451 -27.6451 -10.5928 -10.5928 -10.4293 -10.4293 -9.5289 -9.5289 -9.3927 -9.3927 -9.3131 -9.3131 -9.2405 -9.2405 -1.6728 -1.6728 2.5852 2.5852 4.9458 4.9458 5.6929 5.6929 5.8165 5.8165 8.2360 8.2360 8.4775 8.4775 8.8286 8.8286 9.8363 9.8363 10.2670 10.2670 k = 0.0000 0.0000 0.2144 ( 3696 PWs) bands (ev): -27.6893 -27.6893 -27.6450 -27.6450 -10.5934 -10.5934 -10.4264 -10.4264 -9.5308 -9.5308 -9.3901 -9.3901 -9.3112 -9.3112 -9.2345 -9.2345 -1.7070 -1.7070 2.6049 2.6049 5.0424 5.0424 5.6837 5.6837 5.7863 5.7863 8.3171 8.3171 8.3735 8.3735 8.8578 8.8578 9.9318 9.9318 10.3289 10.3289 k = 0.0000 0.0000 0.1949 ( 3692 PWs) bands (ev): -27.6900 -27.6900 -27.6450 -27.6450 -10.5940 -10.5940 -10.4236 -10.4236 -9.5326 -9.5326 -9.3876 -9.3876 -9.3096 -9.3096 -9.2289 -9.2289 -1.7383 -1.7383 2.6200 2.6200 5.1450 5.1450 5.6754 5.6754 5.7580 5.7580 8.2650 8.2650 8.3973 8.3973 8.8762 8.8762 10.0424 10.0424 10.3898 10.3898 k = 0.0000 0.0000 0.1754 ( 3690 PWs) bands (ev): -27.6906 -27.6906 -27.6449 -27.6449 -10.5945 -10.5945 -10.4212 -10.4212 -9.5343 -9.5343 -9.3853 -9.3853 -9.3081 -9.3081 -9.2236 -9.2236 -1.7667 -1.7667 2.6312 2.6312 5.2522 5.2522 5.6679 5.6679 5.7319 5.7319 8.1551 8.1551 8.4739 8.4739 8.8866 8.8866 10.1649 10.1649 10.4466 10.4466 k = 0.0000 0.0000 0.1559 ( 3696 PWs) bands (ev): -27.6912 -27.6912 -27.6448 -27.6448 -10.5949 -10.5949 -10.4189 -10.4189 -9.5358 -9.5358 -9.3831 -9.3831 -9.3069 -9.3069 -9.2187 -9.2187 -1.7921 -1.7921 2.6393 2.6393 5.3624 5.3624 5.6612 5.6612 5.7082 5.7082 8.0440 8.0440 8.5469 8.5469 8.8916 8.8916 10.2966 10.2966 10.4941 10.4941 k = 0.0000 0.0000 0.1364 ( 3690 PWs) bands (ev): -27.6918 -27.6918 -27.6448 -27.6448 -10.5953 -10.5953 -10.4169 -10.4169 -9.5372 -9.5372 -9.3810 -9.3810 -9.3057 -9.3057 -9.2144 -9.2144 -1.8146 -1.8146 2.6450 2.6450 5.4735 5.4735 5.6553 5.6553 5.6871 5.6871 7.9332 7.9332 8.6153 8.6153 8.8930 8.8930 10.4350 10.4350 10.5206 10.5206 k = 0.0000 0.0000 0.1170 ( 3687 PWs) bands (ev): -27.6922 -27.6922 -27.6447 -27.6447 -10.5956 -10.5956 -10.4152 -10.4152 -9.5384 -9.5384 -9.3792 -9.3792 -9.3048 -9.3048 -9.2105 -9.2105 -1.8342 -1.8342 2.6489 2.6489 5.5831 5.5831 5.6505 5.6505 5.6687 5.6687 7.8243 7.8243 8.6778 8.6778 8.8925 8.8925 10.5101 10.5101 10.5780 10.5780 k = 0.0000 0.0000 0.0975 ( 3687 PWs) bands (ev): -27.6926 -27.6926 -27.6447 -27.6447 -10.5959 -10.5959 -10.4137 -10.4137 -9.5394 -9.5394 -9.3776 -9.3776 -9.3040 -9.3040 -9.2072 -9.2072 -1.8508 -1.8508 2.6514 2.6514 5.6431 5.6431 5.6536 5.6536 5.6915 5.6915 7.7199 7.7199 8.7332 8.7332 8.8912 8.8912 10.4717 10.4717 10.7231 10.7231 k = 0.0000 0.0000 0.0780 ( 3689 PWs) bands (ev): -27.6930 -27.6930 -27.6446 -27.6446 -10.5962 -10.5962 -10.4125 -10.4125 -9.5403 -9.5403 -9.3763 -9.3763 -9.3033 -9.3033 -9.2044 -9.2044 -1.8643 -1.8643 2.6529 2.6529 5.6362 5.6362 5.6446 5.6446 5.7893 5.7893 7.6230 7.6230 8.7797 8.7797 8.8904 8.8904 10.4278 10.4278 10.7751 10.7751 k = 0.0000 0.0000 0.0585 ( 3679 PWs) bands (ev): -27.6932 -27.6932 -27.6446 -27.6446 -10.5964 -10.5964 -10.4116 -10.4116 -9.5409 -9.5409 -9.3752 -9.3752 -9.3028 -9.3028 -9.2023 -9.2023 -1.8749 -1.8749 2.6538 2.6538 5.6271 5.6271 5.6408 5.6408 5.8758 5.8758 7.5379 7.5379 8.8155 8.8155 8.8914 8.8914 10.3894 10.3894 10.8014 10.8014 k = 0.0000 0.0000 0.0390 ( 3683 PWs) bands (ev): -27.6934 -27.6934 -27.6446 -27.6446 -10.5965 -10.5965 -10.4109 -10.4109 -9.5414 -9.5414 -9.3745 -9.3745 -9.3025 -9.3025 -9.2007 -9.2007 -1.8824 -1.8824 2.6542 2.6542 5.6200 5.6200 5.6386 5.6386 5.9447 5.9447 7.4703 7.4703 8.8386 8.8386 8.8952 8.8952 10.3607 10.3607 10.8222 10.8222 k = 0.0000 0.0000 0.0195 ( 3683 PWs) bands (ev): -27.6935 -27.6935 -27.6446 -27.6446 -10.5966 -10.5966 -10.4105 -10.4105 -9.5417 -9.5417 -9.3740 -9.3740 -9.3023 -9.3023 -9.1998 -9.1998 -1.8870 -1.8870 2.6544 2.6544 5.6157 5.6157 5.6373 5.6373 5.9897 5.9897 7.4261 7.4261 8.8496 8.8496 8.9006 8.9006 10.3431 10.3431 10.8354 10.8354 k = 0.0000 0.0000 0.0000 ( 3679 PWs) bands (ev): -27.6935 -27.6935 -27.6446 -27.6446 -10.5966 -10.5966 -10.4104 -10.4104 -9.5418 -9.5418 -9.3738 -9.3738 -9.3022 -9.3022 -9.1995 -9.1995 -1.8885 -1.8885 2.6545 2.6545 5.6142 5.6142 5.6369 5.6369 6.0054 6.0054 7.4107 7.4107 8.8526 8.8526 8.9032 8.9032 10.3371 10.3371 10.8398 10.8398 k = 0.0000 0.0000 0.0000 ( 3679 PWs) bands (ev): -27.6935 -27.6935 -27.6446 -27.6446 -10.5966 -10.5966 -10.4104 -10.4104 -9.5418 -9.5418 -9.3738 -9.3738 -9.3022 -9.3022 -9.1995 -9.1995 -1.8885 -1.8885 2.6545 2.6545 5.6142 5.6142 5.6369 5.6369 6.0054 6.0054 7.4107 7.4107 8.8526 8.8526 8.9032 8.9032 10.3371 10.3371 10.8398 10.8398 k =-0.0179 0.0076 0.0000 ( 3683 PWs) bands (ev): -27.6935 -27.6935 -27.6446 -27.6446 -10.5965 -10.5965 -10.4105 -10.4105 -9.5416 -9.5416 -9.3738 -9.3738 -9.3022 -9.3022 -9.1997 -9.1997 -1.8878 -1.8878 2.6526 2.6526 5.6175 5.6175 5.6374 5.6374 6.0051 6.0051 7.4119 7.4119 8.8505 8.8505 8.9010 8.9010 10.3362 10.3362 10.8364 10.8364 k =-0.0357 0.0152 0.0000 ( 3679 PWs) bands (ev): -27.6934 -27.6934 -27.6447 -27.6447 -10.5961 -10.5961 -10.4110 -10.4110 -9.5411 -9.5411 -9.3738 -9.3738 -9.3023 -9.3023 -9.2003 -9.2003 -1.8858 -1.8858 2.6471 2.6471 5.6272 5.6272 5.6392 5.6392 6.0044 6.0044 7.4154 7.4154 8.8417 8.8417 8.8973 8.8973 10.3331 10.3331 10.8268 10.8268 k =-0.0536 0.0228 0.0000 ( 3685 PWs) bands (ev): -27.6932 -27.6932 -27.6449 -27.6449 -10.5954 -10.5954 -10.4118 -10.4118 -9.5402 -9.5402 -9.3739 -9.3739 -9.3025 -9.3025 -9.2013 -9.2013 -1.8825 -1.8825 2.6380 2.6380 5.6382 5.6382 5.6470 5.6470 6.0032 6.0032 7.4211 7.4211 8.8223 8.8223 8.8967 8.8967 10.3271 10.3271 10.8128 10.8128 k =-0.0714 0.0304 0.0000 ( 3683 PWs) bands (ev): -27.6929 -27.6929 -27.6452 -27.6452 -10.5944 -10.5944 -10.4129 -10.4129 -9.5389 -9.5389 -9.3739 -9.3739 -9.3028 -9.3028 -9.2027 -9.2027 -1.8779 -1.8779 2.6255 2.6255 5.6424 5.6424 5.6690 5.6690 6.0015 6.0015 7.4289 7.4289 8.7916 8.7916 8.9012 8.9012 10.3170 10.3170 10.7965 10.7965 k =-0.0893 0.0380 0.0000 ( 3687 PWs) bands (ev): -27.6926 -27.6926 -27.6455 -27.6455 -10.5932 -10.5932 -10.4143 -10.4143 -9.5373 -9.5373 -9.3739 -9.3739 -9.3031 -9.3031 -9.2046 -9.2046 -1.8722 -1.8722 2.6100 2.6100 5.6462 5.6462 5.6981 5.6981 5.9994 5.9994 7.4385 7.4385 8.7520 8.7520 8.9096 8.9096 10.3019 10.3019 10.7797 10.7797 k =-0.1071 0.0456 0.0000 ( 3691 PWs) bands (ev): -27.6922 -27.6922 -27.6460 -27.6460 -10.5917 -10.5917 -10.4160 -10.4160 -9.5353 -9.5353 -9.3740 -9.3740 -9.3034 -9.3034 -9.2067 -9.2067 -1.8652 -1.8652 2.5916 2.5916 5.6506 5.6506 5.7331 5.7331 5.9968 5.9968 7.4496 7.4496 8.7059 8.7059 8.9212 8.9212 10.2806 10.2806 10.7635 10.7635 k =-0.1250 0.0532 0.0000 ( 3705 PWs) bands (ev): -27.6917 -27.6917 -27.6464 -27.6464 -10.5900 -10.5900 -10.4180 -10.4180 -9.5330 -9.5330 -9.3742 -9.3742 -9.3038 -9.3038 -9.2093 -9.2093 -1.8572 -1.8572 2.5709 2.5709 5.6557 5.6557 5.7735 5.7735 5.9939 5.9939 7.4618 7.4618 8.6553 8.6553 8.9356 8.9356 10.2529 10.2529 10.7490 10.7490 k =-0.1429 0.0608 0.0000 ( 3701 PWs) bands (ev): -27.6911 -27.6911 -27.6470 -27.6470 -10.5879 -10.5879 -10.4203 -10.4203 -9.5304 -9.5304 -9.3744 -9.3744 -9.3042 -9.3042 -9.2121 -9.2121 -1.8482 -1.8482 2.5480 2.5480 5.6613 5.6613 5.8188 5.8188 5.9906 5.9906 7.4745 7.4745 8.6020 8.6020 8.9525 8.9525 10.2186 10.2186 10.7366 10.7366 k =-0.1607 0.0684 0.0000 ( 3695 PWs) bands (ev): -27.6905 -27.6905 -27.6476 -27.6476 -10.5857 -10.5857 -10.4229 -10.4229 -9.5274 -9.5274 -9.3747 -9.3747 -9.3047 -9.3047 -9.2153 -9.2153 -1.8383 -1.8383 2.5235 2.5235 5.6675 5.6675 5.8685 5.8685 5.9870 5.9870 7.4872 7.4872 8.5474 8.5474 8.9719 8.9719 10.1783 10.1783 10.7267 10.7267 k =-0.1786 0.0760 0.0000 ( 3691 PWs) bands (ev): -27.6898 -27.6898 -27.6483 -27.6483 -10.5832 -10.5832 -10.4257 -10.4257 -9.5241 -9.5241 -9.3751 -9.3751 -9.3051 -9.3051 -9.2187 -9.2187 -1.8276 -1.8276 2.4978 2.4978 5.6741 5.6741 5.9221 5.9221 5.9832 5.9832 7.4992 7.4992 8.4930 8.4930 8.9937 8.9937 10.1331 10.1331 10.7197 10.7197 k =-0.1964 0.0836 0.0000 ( 3687 PWs) bands (ev): -27.6891 -27.6891 -27.6491 -27.6491 -10.5804 -10.5804 -10.4288 -10.4288 -9.5205 -9.5205 -9.3757 -9.3757 -9.3055 -9.3055 -9.2223 -9.2223 -1.8162 -1.8162 2.4711 2.4711 5.6812 5.6812 5.9786 5.9786 5.9796 5.9796 7.5098 7.5098 8.4399 8.4399 9.0178 9.0178 10.0843 10.0843 10.7154 10.7154 k =-0.2143 0.0912 0.0000 ( 3679 PWs) bands (ev): -27.6883 -27.6883 -27.6499 -27.6499 -10.5774 -10.5774 -10.4322 -10.4322 -9.5167 -9.5167 -9.3764 -9.3764 -9.3059 -9.3059 -9.2262 -9.2262 -1.8044 -1.8044 2.4439 2.4439 5.6886 5.6886 5.9750 5.9750 6.0389 6.0389 7.5181 7.5181 8.3890 8.3890 9.0443 9.0443 10.0336 10.0336 10.7140 10.7140 k =-0.2321 0.0988 0.0000 ( 3681 PWs) bands (ev): -27.6874 -27.6874 -27.6508 -27.6508 -10.5742 -10.5742 -10.4357 -10.4357 -9.5125 -9.5125 -9.3774 -9.3774 -9.3061 -9.3061 -9.2302 -9.2302 -1.7922 -1.7922 2.4166 2.4166 5.6963 5.6963 5.9707 5.9707 6.1012 6.1012 7.5235 7.5235 8.3410 8.3410 9.0731 9.0731 9.9828 9.9828 10.7154 10.7154 k =-0.2500 0.1064 0.0000 ( 3679 PWs) bands (ev): -27.6865 -27.6865 -27.6517 -27.6517 -10.5708 -10.5708 -10.4395 -10.4395 -9.5081 -9.5081 -9.3786 -9.3786 -9.3063 -9.3063 -9.2343 -9.2343 -1.7797 -1.7797 2.3894 2.3894 5.7041 5.7041 5.9663 5.9663 6.1652 6.1652 7.5257 7.5257 8.2961 8.2961 9.1043 9.1043 9.9336 9.9336 10.7194 10.7194 k =-0.2679 0.1140 0.0000 ( 3679 PWs) bands (ev): -27.6855 -27.6855 -27.6527 -27.6527 -10.5672 -10.5672 -10.4435 -10.4435 -9.5034 -9.5034 -9.3801 -9.3801 -9.3064 -9.3064 -9.2385 -9.2385 -1.7672 -1.7672 2.3628 2.3628 5.7119 5.7119 5.9619 5.9619 6.2306 6.2306 7.5243 7.5243 8.2542 8.2542 9.1378 9.1378 9.8880 9.8880 10.7255 10.7255 k =-0.2857 0.1216 0.0000 ( 3679 PWs) bands (ev): -27.6845 -27.6845 -27.6537 -27.6537 -10.5634 -10.5634 -10.4477 -10.4477 -9.4985 -9.4985 -9.3819 -9.3819 -9.3064 -9.3064 -9.2427 -9.2427 -1.7548 -1.7548 2.3369 2.3369 5.7197 5.7197 5.9577 5.9577 6.2966 6.2966 7.5197 7.5197 8.2146 8.2146 9.1736 9.1736 9.8476 9.8476 10.7308 10.7308 k =-0.3036 0.1292 0.0000 ( 3675 PWs) bands (ev): -27.6834 -27.6834 -27.6548 -27.6548 -10.5594 -10.5594 -10.4520 -10.4520 -9.4934 -9.4934 -9.3841 -9.3841 -9.3062 -9.3062 -9.2469 -9.2469 -1.7426 -1.7426 2.3121 2.3121 5.7274 5.7274 5.9535 5.9535 6.3626 6.3626 7.5125 7.5125 8.1763 8.1763 9.2117 9.2117 9.8137 9.8137 10.6756 10.6756 k =-0.3214 0.1368 0.0000 ( 3674 PWs) bands (ev): -27.6823 -27.6823 -27.6559 -27.6559 -10.5552 -10.5552 -10.4565 -10.4565 -9.4882 -9.4882 -9.3866 -9.3866 -9.3059 -9.3059 -9.2511 -9.2511 -1.7309 -1.7309 2.2886 2.2886 5.7348 5.7348 5.9495 5.9495 6.4279 6.4279 7.5038 7.5038 8.1380 8.1380 9.2521 9.2521 9.7875 9.7875 10.5880 10.5880 k =-0.3393 0.1444 0.0000 ( 3678 PWs) bands (ev): -27.6811 -27.6811 -27.6570 -27.6570 -10.5509 -10.5509 -10.4612 -10.4612 -9.4827 -9.4827 -9.3894 -9.3894 -9.3054 -9.3054 -9.2552 -9.2552 -1.7196 -1.7196 2.2666 2.2666 5.7419 5.7419 5.9457 5.9457 6.4917 6.4917 7.4951 7.4951 8.0985 8.0985 9.2949 9.2949 9.7695 9.7695 10.5006 10.5006 k =-0.3571 0.1520 0.0000 ( 3688 PWs) bands (ev): -27.6799 -27.6799 -27.6582 -27.6582 -10.5464 -10.5464 -10.4660 -10.4660 -9.4771 -9.4771 -9.3926 -9.3926 -9.3047 -9.3047 -9.2591 -9.2591 -1.7091 -1.7091 2.2464 2.2464 5.7485 5.7485 5.9421 5.9421 6.5531 6.5531 7.4879 7.4879 8.0566 8.0566 9.3400 9.3400 9.7597 9.7597 10.4149 10.4149 k =-0.3750 0.1596 0.0000 ( 3696 PWs) bands (ev): -27.6787 -27.6787 -27.6594 -27.6594 -10.5418 -10.5418 -10.4709 -10.4709 -9.4714 -9.4714 -9.3962 -9.3962 -9.3039 -9.3039 -9.2629 -9.2629 -1.6995 -1.6995 2.2282 2.2282 5.7546 5.7546 5.9389 5.9389 6.6108 6.6108 7.4840 7.4840 8.0119 8.0119 9.3874 9.3874 9.7575 9.7575 10.3312 10.3312 k =-0.3929 0.1672 0.0000 ( 3682 PWs) bands (ev): -27.6775 -27.6775 -27.6607 -27.6607 -10.5371 -10.5371 -10.4758 -10.4758 -9.4657 -9.4657 -9.4001 -9.4001 -9.3029 -9.3029 -9.2665 -9.2665 -1.6908 -1.6908 2.2120 2.2120 5.7601 5.7601 5.9360 5.9360 6.6638 6.6638 7.4848 7.4848 7.9642 7.9642 9.4370 9.4370 9.7617 9.7617 10.2497 10.2497 k =-0.4107 0.1748 0.0000 ( 3678 PWs) bands (ev): -27.6763 -27.6763 -27.6619 -27.6619 -10.5322 -10.5322 -10.4809 -10.4809 -9.4598 -9.4598 -9.4043 -9.4043 -9.3018 -9.3018 -9.2698 -9.2698 -1.6833 -1.6833 2.1981 2.1981 5.7648 5.7648 5.9335 5.9335 6.7106 6.7106 7.4920 7.4920 7.9137 7.9137 9.4888 9.4888 9.7705 9.7705 10.1707 10.1707 k =-0.4286 0.1824 0.0000 ( 3676 PWs) bands (ev): -27.6751 -27.6751 -27.6631 -27.6631 -10.5273 -10.5273 -10.4860 -10.4860 -9.4540 -9.4540 -9.4089 -9.4089 -9.3006 -9.3006 -9.2728 -9.2728 -1.6770 -1.6770 2.1865 2.1865 5.7688 5.7688 5.9314 5.9314 6.7502 6.7502 7.5066 7.5066 7.8612 7.8612 9.5426 9.5426 9.7819 9.7819 10.0947 10.0947 k =-0.4464 0.1900 0.0000 ( 3680 PWs) bands (ev): -27.6739 -27.6739 -27.6643 -27.6643 -10.5223 -10.5223 -10.4911 -10.4911 -9.4482 -9.4482 -9.4136 -9.4136 -9.2995 -9.2995 -9.2755 -9.2755 -1.6719 -1.6719 2.1775 2.1775 5.7720 5.7720 5.9298 5.9298 6.7815 6.7815 7.5292 7.5292 7.8077 7.8077 9.5978 9.5978 9.7936 9.7936 10.0222 10.0222 k =-0.4643 0.1976 0.0000 ( 3688 PWs) bands (ev): -27.6728 -27.6728 -27.6654 -27.6654 -10.5172 -10.5172 -10.4963 -10.4963 -9.4426 -9.4426 -9.4185 -9.4185 -9.2984 -9.2984 -9.2775 -9.2775 -1.6683 -1.6683 2.1709 2.1709 5.7743 5.7743 5.9286 5.9286 6.8041 6.8041 7.5592 7.5592 7.7550 7.7550 9.6533 9.6533 9.8032 9.8032 9.9549 9.9549 k =-0.4821 0.2052 0.0000 ( 3688 PWs) bands (ev): -27.6720 -27.6720 -27.6662 -27.6662 -10.5122 -10.5122 -10.5014 -10.5014 -9.4375 -9.4375 -9.4232 -9.4232 -9.2977 -9.2977 -9.2789 -9.2789 -1.6661 -1.6661 2.1670 2.1670 5.7757 5.7757 5.9278 5.9278 6.8176 6.8176 7.5941 7.5941 7.7062 7.7062 9.7046 9.7046 9.8078 9.8078 9.8984 9.8984 k =-0.5000 0.2128 0.0000 ( 3692 PWs) bands (ev): -27.6716 -27.6716 -27.6666 -27.6666 -10.5083 -10.5083 -10.5053 -10.5053 -9.4347 -9.4347 -9.4258 -9.4258 -9.2974 -9.2974 -9.2794 -9.2794 -1.6653 -1.6653 2.1656 2.1656 5.7762 5.7762 5.9276 5.9276 6.8221 6.8221 7.6179 7.6179 7.6778 7.6778 9.7316 9.7316 9.8066 9.8066 9.8726 9.8726 k =-0.5000 0.2128 0.0000 ( 3692 PWs) bands (ev): -27.6716 -27.6716 -27.6666 -27.6666 -10.5083 -10.5083 -10.5053 -10.5053 -9.4347 -9.4347 -9.4258 -9.4258 -9.2974 -9.2974 -9.2794 -9.2794 -1.6653 -1.6653 2.1656 2.1656 5.7762 5.7762 5.9276 5.9276 6.8221 6.8221 7.6179 7.6179 7.6778 7.6778 9.7316 9.7316 9.8066 9.8066 9.8726 9.8726 k =-0.4924 0.2307-0.0000 ( 3690 PWs) bands (ev): -27.6716 -27.6716 -27.6666 -27.6666 -10.5086 -10.5086 -10.5051 -10.5051 -9.4352 -9.4352 -9.4255 -9.4255 -9.2975 -9.2975 -9.2793 -9.2793 -1.6648 -1.6648 2.1670 2.1670 5.7711 5.7711 5.9270 5.9270 6.8219 6.8219 7.6195 7.6195 7.6820 7.6820 9.6356 9.6356 9.8605 9.8605 9.9111 9.9111 k =-0.4848 0.2485-0.0000 ( 3694 PWs) bands (ev): -27.6717 -27.6717 -27.6665 -27.6665 -10.5092 -10.5092 -10.5048 -10.5048 -9.4364 -9.4364 -9.4246 -9.4246 -9.2977 -9.2977 -9.2791 -9.2791 -1.6631 -1.6631 2.1712 2.1712 5.7560 5.7560 5.9253 5.9253 6.8214 6.8214 7.6242 7.6242 7.6943 7.6943 9.5055 9.5055 9.8699 9.8699 10.0207 10.0207 k =-0.4773 0.2663-0.0000 ( 3694 PWs) bands (ev): -27.6717 -27.6717 -27.6664 -27.6664 -10.5101 -10.5101 -10.5043 -10.5043 -9.4382 -9.4382 -9.4235 -9.4235 -9.2980 -9.2980 -9.2787 -9.2787 -1.6603 -1.6603 2.1782 2.1782 5.7314 5.7314 5.9224 5.9224 6.8204 6.8204 7.6321 7.6321 7.7144 7.7144 9.3713 9.3713 9.8783 9.8783 10.1263 10.1263 k =-0.4697 0.2841-0.0000 ( 3696 PWs) bands (ev): -27.6718 -27.6718 -27.6663 -27.6663 -10.5111 -10.5111 -10.5039 -10.5039 -9.4402 -9.4402 -9.4224 -9.4224 -9.2984 -9.2984 -9.2781 -9.2781 -1.6565 -1.6565 2.1879 2.1879 5.6980 5.6980 5.9184 5.9184 6.8188 6.8188 7.6432 7.6432 7.7419 7.7419 9.2355 9.2355 9.8895 9.8895 10.2195 10.2195 k =-0.4621 0.3019-0.0000 ( 3696 PWs) bands (ev): -27.6719 -27.6719 -27.6662 -27.6662 -10.5122 -10.5122 -10.5035 -10.5035 -9.4424 -9.4424 -9.4214 -9.4214 -9.2990 -9.2990 -9.2774 -9.2774 -1.6515 -1.6515 2.2003 2.2003 5.6568 5.6568 5.9133 5.9133 6.8167 6.8167 7.6572 7.6572 7.7758 7.7758 9.0991 9.0991 9.9035 9.9035 10.2967 10.2967 k =-0.4545 0.3197-0.0000 ( 3684 PWs) bands (ev): -27.6720 -27.6720 -27.6660 -27.6660 -10.5135 -10.5135 -10.5032 -10.5032 -9.4447 -9.4447 -9.4205 -9.4205 -9.2996 -9.2996 -9.2766 -9.2766 -1.6456 -1.6456 2.2154 2.2154 5.6087 5.6087 5.9072 5.9072 6.8139 6.8139 7.6744 7.6744 7.8156 7.8156 8.9631 8.9631 9.9207 9.9207 10.3560 10.3560 k =-0.4469 0.3375-0.0000 ( 3684 PWs) bands (ev): -27.6721 -27.6721 -27.6658 -27.6658 -10.5148 -10.5148 -10.5029 -10.5029 -9.4471 -9.4471 -9.4197 -9.4197 -9.3004 -9.3004 -9.2757 -9.2757 -1.6387 -1.6387 2.2331 2.2331 5.5548 5.5548 5.9003 5.9003 6.8105 6.8105 7.6944 7.6944 7.8605 7.8605 8.8280 8.8280 9.9408 9.9408 10.3971 10.3971 k =-0.4393 0.3553-0.0000 ( 3684 PWs) bands (ev): -27.6722 -27.6722 -27.6656 -27.6656 -10.5162 -10.5162 -10.5027 -10.5027 -9.4496 -9.4496 -9.4191 -9.4191 -9.3012 -9.3012 -9.2746 -9.2746 -1.6309 -1.6309 2.2533 2.2533 5.4959 5.4959 5.8924 5.8924 6.8065 6.8065 7.7171 7.7171 7.9096 7.9096 8.6944 8.6944 9.9640 9.9640 10.4219 10.4219 k =-0.4318 0.3731-0.0000 ( 3682 PWs) bands (ev): -27.6724 -27.6724 -27.6654 -27.6654 -10.5177 -10.5177 -10.5026 -10.5026 -9.4521 -9.4521 -9.4187 -9.4187 -9.3020 -9.3020 -9.2734 -9.2734 -1.6222 -1.6222 2.2760 2.2760 5.4331 5.4331 5.8839 5.8839 6.8019 6.8019 7.7424 7.7424 7.9625 7.9625 8.5627 8.5627 9.9900 9.9900 10.4327 10.4327 k =-0.4242 0.3909-0.0000 ( 3686 PWs) bands (ev): -27.6726 -27.6726 -27.6651 -27.6651 -10.5192 -10.5192 -10.5024 -10.5024 -9.4545 -9.4545 -9.4185 -9.4185 -9.3029 -9.3029 -9.2722 -9.2722 -1.6128 -1.6128 2.3010 2.3010 5.3670 5.3670 5.8747 5.8747 6.7968 6.7968 7.7698 7.7698 8.0184 8.0184 8.4336 8.4336 10.0190 10.0190 10.4313 10.4313 k =-0.4166 0.4088-0.0000 ( 3686 PWs) bands (ev): -27.6728 -27.6728 -27.6648 -27.6648 -10.5209 -10.5209 -10.5024 -10.5024 -9.4570 -9.4570 -9.4185 -9.4185 -9.3039 -9.3039 -9.2708 -9.2708 -1.6027 -1.6027 2.3283 2.3283 5.2985 5.2985 5.8650 5.8650 6.7913 6.7913 7.7983 7.7983 8.0769 8.0769 8.3084 8.3084 10.0508 10.0508 10.4153 10.4153 k =-0.4090 0.4266-0.0000 ( 3678 PWs) bands (ev): -27.6730 -27.6730 -27.6645 -27.6645 -10.5225 -10.5225 -10.5023 -10.5023 -9.4595 -9.4595 -9.4186 -9.4186 -9.3049 -9.3049 -9.2693 -9.2693 -1.5920 -1.5920 2.3577 2.3577 5.2282 5.2282 5.8549 5.8549 6.7855 6.7855 7.8258 7.8258 8.1373 8.1373 8.1895 8.1895 10.0852 10.0852 10.3757 10.3757 k =-0.4014 0.4444-0.0000 ( 3690 PWs) bands (ev): -27.6732 -27.6732 -27.6642 -27.6642 -10.5243 -10.5243 -10.5023 -10.5023 -9.4619 -9.4619 -9.4189 -9.4189 -9.3060 -9.3060 -9.2678 -9.2678 -1.5807 -1.5807 2.3890 2.3890 5.1567 5.1567 5.8445 5.8445 6.7796 6.7796 7.8448 7.8448 8.0833 8.0833 8.2004 8.2004 10.1218 10.1218 10.3246 10.3246 k =-0.3939 0.4622-0.0000 ( 3678 PWs) bands (ev): -27.6735 -27.6735 -27.6638 -27.6638 -10.5261 -10.5261 -10.5022 -10.5022 -9.4642 -9.4642 -9.4194 -9.4194 -9.3070 -9.3070 -9.2662 -9.2662 -1.5691 -1.5691 2.4223 2.4223 5.0845 5.0845 5.8339 5.8339 6.7735 6.7735 7.8297 7.8297 8.0174 8.0174 8.2645 8.2645 10.1594 10.1594 10.2730 10.2730 k =-0.3863 0.4800-0.0000 ( 3686 PWs) bands (ev): -27.6738 -27.6738 -27.6634 -27.6634 -10.5279 -10.5279 -10.5022 -10.5022 -9.4666 -9.4666 -9.4200 -9.4200 -9.3081 -9.3081 -9.2645 -9.2645 -1.5571 -1.5571 2.4572 2.4572 5.0122 5.0122 5.8232 5.8232 6.7675 6.7675 7.7567 7.7567 8.0146 8.0146 8.3299 8.3299 10.1868 10.1868 10.2341 10.2341 k =-0.3787 0.4978-0.0000 ( 3682 PWs) bands (ev): -27.6740 -27.6740 -27.6630 -27.6630 -10.5298 -10.5298 -10.5021 -10.5021 -9.4688 -9.4688 -9.4208 -9.4208 -9.3093 -9.3093 -9.2627 -9.2627 -1.5450 -1.5450 2.4936 2.4936 4.9401 4.9401 5.8126 5.8126 6.7616 6.7616 7.6568 7.6568 8.0440 8.0440 8.3966 8.3966 10.1567 10.1567 10.2543 10.2543 k =-0.3711 0.5156-0.0000 ( 3682 PWs) bands (ev): -27.6744 -27.6744 -27.6626 -27.6626 -10.5317 -10.5317 -10.5020 -10.5020 -9.4710 -9.4710 -9.4216 -9.4216 -9.3104 -9.3104 -9.2609 -9.2609 -1.5328 -1.5328 2.5312 2.5312 4.8687 4.8687 5.8022 5.8022 6.7560 6.7560 7.5513 7.5513 8.0844 8.0844 8.4643 8.4643 10.1093 10.1093 10.2806 10.2806 k =-0.3635 0.5334-0.0000 ( 3686 PWs) bands (ev): -27.6747 -27.6747 -27.6622 -27.6622 -10.5336 -10.5336 -10.5019 -10.5019 -9.4731 -9.4731 -9.4225 -9.4225 -9.3116 -9.3116 -9.2591 -9.2591 -1.5206 -1.5206 2.5700 2.5700 4.7983 4.7983 5.7920 5.7920 6.7506 6.7506 7.4463 7.4463 8.1299 8.1299 8.5330 8.5330 10.0620 10.0620 10.2684 10.2684 k =-0.3560 0.5512-0.0000 ( 3684 PWs) bands (ev): -27.6750 -27.6750 -27.6617 -27.6617 -10.5356 -10.5356 -10.5017 -10.5017 -9.4752 -9.4752 -9.4235 -9.4235 -9.3128 -9.3128 -9.2572 -9.2572 -1.5086 -1.5086 2.6097 2.6097 4.7293 4.7293 5.7822 5.7822 6.7456 6.7456 7.3436 7.3436 8.1785 8.1785 8.6025 8.6025 10.0165 10.0165 10.2437 10.2437 k =-0.3484 0.5690-0.0000 ( 3680 PWs) bands (ev): -27.6754 -27.6754 -27.6612 -27.6612 -10.5376 -10.5376 -10.5014 -10.5014 -9.4772 -9.4772 -9.4245 -9.4245 -9.3139 -9.3139 -9.2552 -9.2552 -1.4969 -1.4969 2.6499 2.6499 4.6621 4.6621 5.7729 5.7729 6.7410 6.7410 7.2442 7.2442 8.2290 8.2290 8.6729 8.6729 9.9733 9.9733 10.2173 10.2173 k =-0.3408 0.5868-0.0000 ( 3684 PWs) bands (ev): -27.6758 -27.6758 -27.6608 -27.6608 -10.5396 -10.5396 -10.5010 -10.5010 -9.4792 -9.4792 -9.4254 -9.4254 -9.3151 -9.3151 -9.2532 -9.2532 -1.4857 -1.4857 2.6904 2.6904 4.5969 4.5969 5.7641 5.7641 6.7369 6.7369 7.1488 7.1488 8.2808 8.2808 8.7439 8.7439 9.9325 9.9325 10.1910 10.1910 k =-0.3332 0.6047-0.0000 ( 3666 PWs) bands (ev): -27.6762 -27.6762 -27.6603 -27.6603 -10.5416 -10.5416 -10.5005 -10.5005 -9.4811 -9.4811 -9.4264 -9.4264 -9.3164 -9.3164 -9.2512 -9.2512 -1.4750 -1.4750 2.7310 2.7310 4.5341 4.5341 5.7560 5.7560 6.7334 6.7334 7.0577 7.0577 8.3334 8.3334 8.8157 8.8157 9.8945 9.8945 10.1657 10.1657 k =-0.3256 0.6225-0.0000 ( 3670 PWs) bands (ev): -27.6766 -27.6766 -27.6598 -27.6598 -10.5437 -10.5437 -10.5000 -10.5000 -9.4829 -9.4829 -9.4272 -9.4272 -9.3176 -9.3176 -9.2492 -9.2492 -1.4651 -1.4651 2.7713 2.7713 4.4740 4.4740 5.7486 5.7486 6.7303 6.7303 6.9713 6.9713 8.3861 8.3861 8.8882 8.8882 9.8593 9.8593 10.1418 10.1418 k =-0.3180 0.6403-0.0000 ( 3660 PWs) bands (ev): -27.6770 -27.6770 -27.6593 -27.6593 -10.5457 -10.5457 -10.4993 -10.4993 -9.4848 -9.4848 -9.4279 -9.4279 -9.3188 -9.3188 -9.2471 -9.2471 -1.4559 -1.4559 2.8110 2.8110 4.4167 4.4167 5.7420 5.7420 6.7278 6.7278 6.8901 6.8901 8.4383 8.4383 8.9613 8.9613 9.8270 9.8270 10.1198 10.1198 k =-0.3105 0.6581-0.0000 ( 3662 PWs) bands (ev): -27.6774 -27.6774 -27.6587 -27.6587 -10.5478 -10.5478 -10.4984 -10.4984 -9.4866 -9.4866 -9.4286 -9.4286 -9.3200 -9.3200 -9.2451 -9.2451 -1.4478 -1.4478 2.8497 2.8497 4.3626 4.3626 5.7363 5.7363 6.7256 6.7256 6.8145 6.8145 8.4892 8.4892 9.0351 9.0351 9.7977 9.7977 10.1004 10.1004 k =-0.3029 0.6759-0.0000 ( 3670 PWs) bands (ev): -27.6779 -27.6779 -27.6582 -27.6582 -10.5498 -10.5498 -10.4975 -10.4975 -9.4884 -9.4884 -9.4290 -9.4290 -9.3213 -9.3213 -9.2430 -9.2430 -1.4407 -1.4407 2.8871 2.8871 4.3119 4.3119 5.7315 5.7315 6.7230 6.7230 6.7457 6.7457 8.5380 8.5380 9.1095 9.1095 9.7715 9.7715 10.0841 10.0841 k =-0.2953 0.6937-0.0000 ( 3662 PWs) bands (ev): -27.6783 -27.6783 -27.6577 -27.6577 -10.5519 -10.5519 -10.4963 -10.4963 -9.4902 -9.4902 -9.4292 -9.4292 -9.3225 -9.3225 -9.2409 -9.2409 -1.4348 -1.4348 2.9228 2.9228 4.2648 4.2648 5.7276 5.7276 6.6794 6.6794 6.7244 6.7244 8.5838 8.5838 9.1845 9.1845 9.7485 9.7485 10.0716 10.0716 k =-0.2953 0.6937-0.0000 ( 3662 PWs) bands (ev): -27.6783 -27.6783 -27.6577 -27.6577 -10.5519 -10.5519 -10.4963 -10.4963 -9.4902 -9.4902 -9.4292 -9.4292 -9.3225 -9.3225 -9.2409 -9.2409 -1.4348 -1.4348 2.9228 2.9228 4.2648 4.2648 5.7276 5.7276 6.6794 6.6794 6.7244 6.7244 8.5838 8.5838 9.1845 9.1845 9.7485 9.7485 10.0716 10.0716 k =-0.2953 0.6937 0.0195 ( 3663 PWs) bands (ev): -27.6783 -27.6783 -27.6577 -27.6577 -10.5519 -10.5519 -10.4964 -10.4964 -9.4903 -9.4903 -9.4292 -9.4292 -9.3227 -9.3227 -9.2411 -9.2411 -1.4337 -1.4337 2.9215 2.9215 4.2663 4.2663 5.7185 5.7185 6.6819 6.6819 6.7241 6.7241 8.5955 8.5955 9.1757 9.1757 9.7566 9.7566 10.0638 10.0638 k =-0.2953 0.6937 0.0390 ( 3659 PWs) bands (ev): -27.6782 -27.6782 -27.6577 -27.6577 -10.5520 -10.5520 -10.4966 -10.4966 -9.4907 -9.4907 -9.4290 -9.4290 -9.3232 -9.3232 -9.2416 -9.2416 -1.4302 -1.4302 2.9176 2.9176 4.2710 4.2710 5.6919 5.6919 6.6891 6.6891 6.7233 6.7233 8.6300 8.6300 9.1508 9.1508 9.7793 9.7793 10.0414 10.0414 k =-0.2953 0.6937 0.0585 ( 3665 PWs) bands (ev): -27.6781 -27.6781 -27.6576 -27.6576 -10.5521 -10.5521 -10.4970 -10.4970 -9.4912 -9.4912 -9.4287 -9.4287 -9.3240 -9.3240 -9.2424 -9.2424 -1.4243 -1.4243 2.9110 2.9110 4.2789 4.2789 5.6498 5.6498 6.6998 6.6998 6.7224 6.7224 8.6860 8.6860 9.1133 9.1133 9.8131 9.8131 10.0063 10.0063 k =-0.2953 0.6937 0.0780 ( 3663 PWs) bands (ev): -27.6779 -27.6779 -27.6576 -27.6576 -10.5522 -10.5522 -10.4975 -10.4975 -9.4919 -9.4919 -9.4283 -9.4283 -9.3251 -9.3251 -9.2435 -9.2435 -1.4161 -1.4161 2.9015 2.9015 4.2898 4.2898 5.5948 5.5948 6.7100 6.7100 6.7245 6.7245 8.7613 8.7613 9.0670 9.0670 9.8539 9.8539 9.9618 9.9618 k =-0.2953 0.6937 0.0975 ( 3671 PWs) bands (ev): -27.6777 -27.6777 -27.6575 -27.6575 -10.5524 -10.5524 -10.4981 -10.4981 -9.4929 -9.4929 -9.4277 -9.4277 -9.3265 -9.3265 -9.2450 -9.2450 -1.4056 -1.4056 2.8888 2.8888 4.3038 4.3038 5.5300 5.5300 6.7109 6.7109 6.7375 6.7375 8.8530 8.8530 9.0150 9.0150 9.8904 9.8904 9.9190 9.9190 k =-0.2953 0.6937 0.1170 ( 3666 PWs) bands (ev): -27.6774 -27.6774 -27.6574 -27.6574 -10.5526 -10.5526 -10.4989 -10.4989 -9.4940 -9.4940 -9.4271 -9.4271 -9.3283 -9.3283 -9.2467 -9.2467 -1.3928 -1.3928 2.8728 2.8728 4.3207 4.3207 5.4584 5.4584 6.7070 6.7070 6.7564 6.7564 8.9555 8.9555 8.9621 8.9621 9.8489 9.8489 9.9525 9.9525 k =-0.2953 0.6937 0.1364 ( 3666 PWs) bands (ev): -27.6771 -27.6771 -27.6573 -27.6573 -10.5529 -10.5529 -10.4998 -10.4998 -9.4952 -9.4952 -9.4265 -9.4265 -9.3303 -9.3303 -9.2487 -9.2487 -1.3776 -1.3776 2.8530 2.8530 4.3407 4.3407 5.3826 5.3826 6.7011 6.7011 6.7776 6.7776 8.9023 8.9023 9.0721 9.0721 9.7927 9.7927 10.0007 10.0007 k =-0.2953 0.6937 0.1559 ( 3670 PWs) bands (ev): -27.6768 -27.6768 -27.6572 -27.6572 -10.5532 -10.5532 -10.5008 -10.5008 -9.4966 -9.4966 -9.4258 -9.4258 -9.3325 -9.3325 -9.2509 -9.2509 -1.3600 -1.3600 2.8291 2.8291 4.3635 4.3635 5.3050 5.3050 6.6935 6.6935 6.8002 6.8002 8.8449 8.8449 9.1884 9.1884 9.7411 9.7411 10.0489 10.0489 k =-0.2953 0.6937 0.1754 ( 3666 PWs) bands (ev): -27.6764 -27.6764 -27.6571 -27.6571 -10.5536 -10.5536 -10.5020 -10.5020 -9.4982 -9.4982 -9.4251 -9.4251 -9.3350 -9.3350 -9.2533 -9.2533 -1.3402 -1.3402 2.8007 2.8007 4.3891 4.3891 5.2278 5.2278 6.6842 6.6842 6.8240 6.8240 8.7881 8.7881 9.2934 9.2934 9.7069 9.7069 10.0956 10.0956 k =-0.2953 0.6937 0.1949 ( 3670 PWs) bands (ev): -27.6759 -27.6759 -27.6569 -27.6569 -10.5540 -10.5540 -10.5033 -10.5033 -9.4998 -9.4998 -9.4244 -9.4244 -9.3377 -9.3377 -9.2559 -9.2559 -1.3180 -1.3180 2.7674 2.7674 4.4173 4.4173 5.1526 5.1526 6.6730 6.6730 6.8485 6.8485 8.7328 8.7328 9.3585 9.3585 9.7179 9.7179 10.1398 10.1398 k =-0.2953 0.6937 0.2144 ( 3670 PWs) bands (ev): -27.6754 -27.6754 -27.6568 -27.6568 -10.5544 -10.5544 -10.5047 -10.5047 -9.5016 -9.5016 -9.4237 -9.4237 -9.3405 -9.3405 -9.2587 -9.2587 -1.2935 -1.2935 2.7288 2.7288 4.4482 4.4482 5.0810 5.0810 6.6597 6.6597 6.8735 6.8735 8.6798 8.6798 9.3613 9.3613 9.7948 9.7948 10.1807 10.1807 k =-0.2953 0.6937 0.2339 ( 3670 PWs) bands (ev): -27.6749 -27.6749 -27.6566 -27.6566 -10.5549 -10.5549 -10.5063 -10.5063 -9.5034 -9.5034 -9.4231 -9.4231 -9.3435 -9.3435 -9.2616 -9.2616 -1.2666 -1.2666 2.6846 2.6846 4.4816 4.4816 5.0142 5.0142 6.6440 6.6440 6.8987 6.8987 8.6295 8.6295 9.3234 9.3234 9.9146 9.9146 10.2176 10.2176 k =-0.2953 0.6937 0.2534 ( 3671 PWs) bands (ev): -27.6744 -27.6744 -27.6565 -27.6565 -10.5554 -10.5554 -10.5079 -10.5079 -9.5052 -9.5052 -9.4226 -9.4226 -9.3466 -9.3466 -9.2645 -9.2645 -1.2374 -1.2374 2.6346 2.6346 4.5174 4.5174 4.9531 4.9531 6.6259 6.6259 6.9235 6.9235 8.5826 8.5826 9.2693 9.2693 10.0506 10.0506 10.2503 10.2503 k =-0.2953 0.6937 0.2729 ( 3669 PWs) bands (ev): -27.6738 -27.6738 -27.6563 -27.6563 -10.5560 -10.5560 -10.5097 -10.5097 -9.5072 -9.5072 -9.4222 -9.4222 -9.3497 -9.3497 -9.2676 -9.2676 -1.2059 -1.2059 2.5787 2.5787 4.5553 4.5553 4.8984 4.8984 6.6052 6.6052 6.9476 6.9476 8.5396 8.5396 9.2097 9.2097 10.1897 10.1897 10.2788 10.2788 k =-0.2953 0.6937 0.2924 ( 3673 PWs) bands (ev): -27.6732 -27.6732 -27.6562 -27.6562 -10.5566 -10.5566 -10.5116 -10.5116 -9.5091 -9.5091 -9.4220 -9.4220 -9.3528 -9.3528 -9.2706 -9.2706 -1.1721 -1.1721 2.5170 2.5170 4.5953 4.5953 4.8506 4.8506 6.5818 6.5818 6.9704 6.9704 8.5007 8.5007 9.1490 9.1490 10.2996 10.2996 10.3283 10.3283 k =-0.2953 0.6937 0.3119 ( 3671 PWs) bands (ev): -27.6725 -27.6725 -27.6560 -27.6560 -10.5572 -10.5572 -10.5136 -10.5136 -9.5110 -9.5110 -9.4220 -9.4220 -9.3560 -9.3560 -9.2736 -9.2736 -1.1360 -1.1360 2.4496 2.4496 4.6371 4.6371 4.8100 4.8100 6.5557 6.5557 6.9914 6.9914 8.4662 8.4662 9.0894 9.0894 10.3211 10.3211 10.4531 10.4531 k =-0.2953 0.6937 0.3314 ( 3676 PWs) bands (ev): -27.6719 -27.6719 -27.6559 -27.6559 -10.5578 -10.5578 -10.5157 -10.5157 -9.5130 -9.5130 -9.4221 -9.4221 -9.3590 -9.3590 -9.2766 -9.2766 -1.0975 -1.0975 2.3768 2.3768 4.6803 4.6803 4.7768 4.7768 6.5268 6.5268 7.0099 7.0099 8.4364 8.4364 9.0323 9.0323 10.3375 10.3375 10.5659 10.5659 k =-0.2953 0.6937 0.3509 ( 3682 PWs) bands (ev): -27.6712 -27.6712 -27.6557 -27.6557 -10.5585 -10.5585 -10.5179 -10.5179 -9.5149 -9.5149 -9.4226 -9.4226 -9.3619 -9.3619 -9.2795 -9.2795 -1.0567 -1.0567 2.2990 2.2990 4.7225 4.7225 4.7531 4.7531 6.4954 6.4954 7.0252 7.0252 8.4113 8.4113 8.9784 8.9784 10.3510 10.3510 10.6622 10.6622 k =-0.2953 0.6937 0.3704 ( 3682 PWs) bands (ev): -27.6705 -27.6705 -27.6556 -27.6556 -10.5592 -10.5592 -10.5201 -10.5201 -9.5168 -9.5168 -9.4233 -9.4233 -9.3646 -9.3646 -9.2824 -9.2824 -1.0137 -1.0137 2.2167 2.2167 4.7264 4.7264 4.7758 4.7758 6.4617 6.4617 7.0367 7.0367 8.3909 8.3909 8.9287 8.9287 10.3624 10.3624 10.7404 10.7404 k =-0.2953 0.6937 0.3898 ( 3686 PWs) bands (ev): -27.6698 -27.6698 -27.6555 -27.6555 -10.5599 -10.5599 -10.5224 -10.5224 -9.5186 -9.5186 -9.4243 -9.4243 -9.3672 -9.3672 -9.2851 -9.2851 -0.9683 -0.9683 2.1304 2.1304 4.7140 4.7140 4.8221 4.8221 6.4258 6.4258 7.0437 7.0437 8.3751 8.3751 8.8835 8.8835 10.3723 10.3723 10.8009 10.8009 k =-0.2953 0.6937 0.4093 ( 3688 PWs) bands (ev): -27.6691 -27.6691 -27.6554 -27.6554 -10.5606 -10.5606 -10.5248 -10.5248 -9.5203 -9.5203 -9.4256 -9.4256 -9.3695 -9.3695 -9.2877 -9.2877 -0.9206 -0.9206 2.0407 2.0407 4.7065 4.7065 4.8701 4.8701 6.3883 6.3883 7.0457 7.0457 8.3638 8.3638 8.8432 8.8432 10.3813 10.3813 10.8458 10.8458 k =-0.2953 0.6937 0.4288 ( 3688 PWs) bands (ev): -27.6683 -27.6683 -27.6553 -27.6553 -10.5613 -10.5613 -10.5272 -10.5272 -9.5220 -9.5220 -9.4271 -9.4271 -9.3715 -9.3715 -9.2902 -9.2902 -0.8707 -0.8707 1.9481 1.9481 4.7044 4.7044 4.9187 4.9187 6.3496 6.3496 7.0423 7.0423 8.3567 8.3567 8.8081 8.8081 10.3901 10.3901 10.8783 10.8783 k =-0.2953 0.6937 0.4483 ( 3687 PWs) bands (ev): -27.6676 -27.6676 -27.6552 -27.6552 -10.5620 -10.5620 -10.5296 -10.5296 -9.5236 -9.5236 -9.4290 -9.4290 -9.3733 -9.3733 -9.2925 -9.2925 -0.8184 -0.8184 1.8532 1.8532 4.7072 4.7072 4.9674 4.9674 6.3103 6.3103 7.0330 7.0330 8.3536 8.3536 8.7781 8.7781 10.3991 10.3991 10.9016 10.9016 k =-0.2953 0.6937 0.4678 ( 3685 PWs) bands (ev): -27.6669 -27.6669 -27.6551 -27.6551 -10.5627 -10.5627 -10.5321 -10.5321 -9.5251 -9.5251 -9.4311 -9.4311 -9.3749 -9.3749 -9.2946 -9.2946 -0.7639 -0.7639 1.7564 1.7564 4.7146 4.7146 5.0156 5.0156 6.2711 6.2711 7.0177 7.0177 8.3541 8.3541 8.7530 8.7530 10.4087 10.4087 10.9184 10.9184 k =-0.2953 0.6937 0.4873 ( 3692 PWs) bands (ev): -27.6661 -27.6661 -27.6551 -27.6551 -10.5633 -10.5633 -10.5345 -10.5345 -9.5265 -9.5265 -9.4333 -9.4333 -9.3763 -9.3763 -9.2965 -9.2965 -0.7071 -0.7071 1.6583 1.6583 4.7262 4.7262 5.0627 5.0627 6.2328 6.2328 6.9965 6.9965 8.3579 8.3579 8.7325 8.7325 10.4194 10.4194 10.9311 10.9311 k =-0.2953 0.6937 0.5068 ( 3692 PWs) bands (ev): -27.6654 -27.6654 -27.6551 -27.6551 -10.5639 -10.5639 -10.5369 -10.5369 -9.5278 -9.5278 -9.4357 -9.4357 -9.3775 -9.3775 -9.2983 -9.2983 -0.6481 -0.6481 1.5593 1.5593 4.7415 4.7415 5.1080 5.1080 6.1962 6.1962 6.9696 6.9696 8.3647 8.3647 8.7159 8.7159 10.4314 10.4314 10.9414 10.9414 k =-0.2953 0.6937 0.5263 ( 3694 PWs) bands (ev): -27.6647 -27.6647 -27.6551 -27.6551 -10.5644 -10.5644 -10.5394 -10.5394 -9.5289 -9.5289 -9.4382 -9.4382 -9.3785 -9.3785 -9.2999 -9.2999 -0.5868 -0.5868 1.4597 1.4597 4.7604 4.7604 5.1504 5.1504 6.1626 6.1626 6.9374 6.9374 8.3742 8.3742 8.7027 8.7027 10.4450 10.4450 10.9504 10.9504 k =-0.2953 0.6937 0.5458 ( 3697 PWs) bands (ev): -27.6640 -27.6640 -27.6551 -27.6551 -10.5648 -10.5648 -10.5417 -10.5417 -9.5300 -9.5300 -9.4406 -9.4406 -9.3794 -9.3794 -9.3013 -9.3013 -0.5233 -0.5233 1.3600 1.3600 4.7822 4.7822 5.1888 5.1888 6.1333 6.1333 6.9002 6.9002 8.3859 8.3859 8.6919 8.6919 10.4606 10.4606 10.9583 10.9583 k =-0.2953 0.6937 0.5653 ( 3699 PWs) bands (ev): -27.6633 -27.6633 -27.6552 -27.6552 -10.5652 -10.5652 -10.5440 -10.5440 -9.5309 -9.5309 -9.4431 -9.4431 -9.3802 -9.3802 -9.3026 -9.3026 -0.4576 -0.4576 1.2603 1.2603 4.8069 4.8069 5.2220 5.2220 6.1096 6.1096 6.8586 6.8586 8.3996 8.3996 8.6830 8.6830 10.4781 10.4781 10.9649 10.9649 k =-0.2953 0.6937 0.5848 ( 3699 PWs) bands (ev): -27.6626 -27.6626 -27.6553 -27.6553 -10.5654 -10.5654 -10.5462 -10.5462 -9.5318 -9.5318 -9.4454 -9.4454 -9.3808 -9.3808 -9.3037 -9.3037 -0.3897 -0.3897 1.1610 1.1610 4.8341 4.8341 5.2485 5.2485 6.0931 6.0931 6.8132 6.8132 8.4149 8.4149 8.6750 8.6750 10.4979 10.4979 10.9693 10.9693 k =-0.2953 0.6937 0.6043 ( 3699 PWs) bands (ev): -27.6620 -27.6620 -27.6554 -27.6554 -10.5656 -10.5656 -10.5484 -10.5484 -9.5325 -9.5325 -9.4477 -9.4477 -9.3814 -9.3814 -9.3046 -9.3046 -0.3197 -0.3197 1.0623 1.0623 4.8634 4.8634 5.2671 5.2671 6.0853 6.0853 6.7647 6.7647 8.4315 8.4315 8.6675 8.6675 10.5199 10.5199 10.9701 10.9701 k =-0.2953 0.6937 0.6238 ( 3695 PWs) bands (ev): -27.6613 -27.6613 -27.6556 -27.6556 -10.5657 -10.5657 -10.5504 -10.5504 -9.5331 -9.5331 -9.4497 -9.4497 -9.3820 -9.3820 -9.3054 -9.3054 -0.2475 -0.2475 0.9645 0.9645 4.8946 4.8946 5.2768 5.2768 6.0871 6.0871 6.7135 6.7135 8.4490 8.4490 8.6597 8.6597 10.5443 10.5443 10.9654 10.9654 k =-0.2953 0.6937 0.6433 ( 3697 PWs) bands (ev): -27.6607 -27.6607 -27.6558 -27.6558 -10.5656 -10.5656 -10.5523 -10.5523 -9.5336 -9.5336 -9.4516 -9.4516 -9.3824 -9.3824 -9.3061 -9.3061 -0.1731 -0.1731 0.8676 0.8676 4.9275 4.9275 5.2773 5.2773 6.0989 6.0989 6.6603 6.6603 8.4673 8.4673 8.6514 8.6514 10.5710 10.5710 10.9540 10.9540 k =-0.2953 0.6937 0.6627 ( 3697 PWs) bands (ev): -27.6601 -27.6601 -27.6560 -27.6560 -10.5654 -10.5654 -10.5541 -10.5541 -9.5340 -9.5340 -9.4532 -9.4532 -9.3828 -9.3828 -9.3066 -9.3066 -0.0967 -0.0967 0.7719 0.7719 4.9616 4.9616 5.2691 5.2691 6.1203 6.1203 6.6056 6.6056 8.4858 8.4858 8.6420 8.6420 10.6001 10.6001 10.9353 10.9353 k =-0.2953 0.6937 0.6822 ( 3698 PWs) bands (ev): -27.6596 -27.6596 -27.6563 -27.6563 -10.5651 -10.5651 -10.5558 -10.5558 -9.5343 -9.5343 -9.4546 -9.4546 -9.3831 -9.3831 -9.3070 -9.3070 -0.0183 -0.0183 0.6776 0.6776 4.9968 4.9968 5.2532 5.2532 6.1503 6.1503 6.5500 6.5500 8.5045 8.5045 8.6316 8.6316 10.6312 10.6312 10.9100 10.9100 k =-0.2953 0.6937 0.7017 ( 3696 PWs) bands (ev): -27.6591 -27.6591 -27.6566 -27.6566 -10.5647 -10.5647 -10.5572 -10.5572 -9.5346 -9.5346 -9.4557 -9.4557 -9.3834 -9.3834 -9.3074 -9.3074 0.0622 0.0622 0.5847 0.5847 5.0325 5.0325 5.2310 5.2310 6.1876 6.1876 6.4940 6.4940 8.5229 8.5229 8.6199 8.6199 10.6644 10.6644 10.8796 10.8796 k =-0.2953 0.6937 0.7212 ( 3698 PWs) bands (ev): -27.6586 -27.6586 -27.6569 -27.6569 -10.5643 -10.5643 -10.5584 -10.5584 -9.5348 -9.5348 -9.4564 -9.4564 -9.3835 -9.3835 -9.3076 -9.3076 0.1446 0.1446 0.4933 0.4933 5.0685 5.0685 5.2039 5.2039 6.2306 6.2306 6.4384 6.4384 8.5408 8.5408 8.6069 8.6069 10.6992 10.6992 10.8455 10.8455 k =-0.2953 0.6937 0.7407 ( 3692 PWs) bands (ev): -27.6581 -27.6581 -27.6573 -27.6573 -10.5639 -10.5639 -10.5593 -10.5593 -9.5349 -9.5349 -9.4569 -9.4569 -9.3836 -9.3836 -9.3077 -9.3077 0.2289 0.2289 0.4036 0.4036 5.1040 5.1040 5.1734 5.1734 6.2778 6.2778 6.3838 6.3838 8.5576 8.5576 8.5933 8.5933 10.7353 10.7353 10.8094 10.8094 k =-0.2953 0.6937 0.7602 ( 3686 PWs) bands (ev): -27.6577 -27.6577 -27.6577 -27.6577 -10.5637 -10.5637 -10.5596 -10.5596 -9.5349 -9.5349 -9.4571 -9.4571 -9.3837 -9.3837 -9.3078 -9.3078 0.3090 0.3090 0.3218 0.3218 5.1330 5.1330 5.1460 5.1460 6.3203 6.3203 6.3389 6.3389 8.5684 8.5684 8.5834 8.5834 10.7699 10.7699 10.7748 10.7748 k =-0.2953 0.6937 0.7602 ( 3686 PWs) bands (ev): -27.6577 -27.6577 -27.6577 -27.6577 -10.5637 -10.5637 -10.5596 -10.5596 -9.5349 -9.5349 -9.4571 -9.4571 -9.3837 -9.3837 -9.3078 -9.3078 0.3090 0.3090 0.3218 0.3218 5.1330 5.1330 5.1460 5.1460 6.3203 6.3203 6.3389 6.3389 8.5684 8.5684 8.5834 8.5834 10.7699 10.7699 10.7748 10.7748 k =-0.3029 0.6759 0.7602 ( 3682 PWs) bands (ev): -27.6577 -27.6577 -27.6577 -27.6577 -10.5638 -10.5638 -10.5599 -10.5599 -9.5357 -9.5357 -9.4593 -9.4593 -9.3806 -9.3806 -9.3058 -9.3058 0.3129 0.3129 0.3263 0.3263 5.1081 5.1081 5.1206 5.1206 6.3361 6.3361 6.3553 6.3553 8.5839 8.5839 8.5976 8.5976 10.6845 10.6845 10.6883 10.6883 k =-0.3105 0.6581 0.7602 ( 3678 PWs) bands (ev): -27.6577 -27.6577 -27.6577 -27.6577 -10.5639 -10.5639 -10.5602 -10.5602 -9.5364 -9.5364 -9.4615 -9.4615 -9.3775 -9.3775 -9.3039 -9.3039 0.3168 0.3168 0.3307 0.3307 5.0837 5.0837 5.0957 5.0957 6.3522 6.3522 6.3717 6.3717 8.6011 8.6011 8.6137 8.6137 10.5946 10.5946 10.5976 10.5976 k =-0.3180 0.6403 0.7602 ( 3690 PWs) bands (ev): -27.6578 -27.6578 -27.6578 -27.6578 -10.5639 -10.5639 -10.5604 -10.5604 -9.5369 -9.5369 -9.4637 -9.4637 -9.3743 -9.3743 -9.3021 -9.3021 0.3207 0.3207 0.3350 0.3350 5.0600 5.0600 5.0717 5.0717 6.3684 6.3684 6.3883 6.3883 8.6205 8.6205 8.6320 8.6320 10.5022 10.5022 10.5045 10.5045 k =-0.3256 0.6225 0.7602 ( 3686 PWs) bands (ev): -27.6578 -27.6578 -27.6578 -27.6578 -10.5640 -10.5640 -10.5606 -10.5606 -9.5373 -9.5373 -9.4659 -9.4659 -9.3709 -9.3709 -9.3003 -9.3003 0.3244 0.3244 0.3390 0.3390 5.0371 5.0371 5.0485 5.0485 6.3848 6.3848 6.4048 6.4048 8.6423 8.6423 8.6528 8.6528 10.4086 10.4086 10.4104 10.4104 k =-0.3332 0.6047 0.7602 ( 3698 PWs) bands (ev): -27.6578 -27.6578 -27.6578 -27.6578 -10.5640 -10.5640 -10.5608 -10.5608 -9.5375 -9.5375 -9.4682 -9.4682 -9.3675 -9.3675 -9.2987 -9.2987 0.3280 0.3280 0.3429 0.3429 5.0153 5.0153 5.0263 5.0263 6.4011 6.4011 6.4211 6.4211 8.6668 8.6668 8.6764 8.6764 10.3147 10.3147 10.3161 10.3161 k =-0.3408 0.5868 0.7602 ( 3696 PWs) bands (ev): -27.6579 -27.6579 -27.6579 -27.6579 -10.5640 -10.5640 -10.5610 -10.5610 -9.5376 -9.5376 -9.4704 -9.4704 -9.3640 -9.3640 -9.2971 -9.2971 0.3314 0.3314 0.3466 0.3466 4.9944 4.9944 5.0052 5.0052 6.4174 6.4174 6.4372 6.4372 8.6943 8.6943 8.7031 8.7031 10.2210 10.2210 10.2221 10.2221 k =-0.3484 0.5690 0.7602 ( 3704 PWs) bands (ev): -27.6579 -27.6579 -27.6579 -27.6579 -10.5640 -10.5640 -10.5612 -10.5612 -9.5376 -9.5376 -9.4726 -9.4726 -9.3605 -9.3605 -9.2957 -9.2957 0.3347 0.3347 0.3500 0.3500 4.9748 4.9748 4.9852 4.9852 6.4334 6.4334 6.4531 6.4531 8.7249 8.7249 8.7330 8.7330 10.1280 10.1280 10.1289 10.1289 k =-0.3560 0.5512 0.7602 ( 3700 PWs) bands (ev): -27.6580 -27.6580 -27.6580 -27.6580 -10.5640 -10.5640 -10.5613 -10.5613 -9.5374 -9.5374 -9.4749 -9.4749 -9.3569 -9.3569 -9.2943 -9.2943 0.3379 0.3379 0.3531 0.3531 4.9564 4.9564 4.9666 4.9666 6.4493 6.4493 6.4686 6.4686 8.7588 8.7588 8.7663 8.7663 10.0363 10.0363 10.0370 10.0370 k =-0.3635 0.5334 0.7602 ( 3700 PWs) bands (ev): -27.6580 -27.6580 -27.6580 -27.6580 -10.5639 -10.5639 -10.5615 -10.5615 -9.5370 -9.5370 -9.4771 -9.4771 -9.3533 -9.3533 -9.2931 -9.2931 0.3408 0.3408 0.3560 0.3560 4.9392 4.9392 4.9492 4.9492 6.4649 6.4649 6.4837 6.4837 8.7963 8.7963 8.8031 8.8031 9.9460 9.9460 9.9466 9.9466 k =-0.3711 0.5156 0.7602 ( 3704 PWs) bands (ev): -27.6581 -27.6581 -27.6581 -27.6581 -10.5639 -10.5639 -10.5616 -10.5616 -9.5366 -9.5366 -9.4793 -9.4793 -9.3497 -9.3497 -9.2920 -9.2920 0.3435 0.3435 0.3586 0.3586 4.9234 4.9234 4.9331 4.9331 6.4801 6.4801 6.4984 6.4984 8.8374 8.8374 8.8437 8.8437 9.8577 9.8577 9.8581 9.8581 k =-0.3787 0.4978 0.7602 ( 3708 PWs) bands (ev): -27.6581 -27.6581 -27.6581 -27.6581 -10.5638 -10.5638 -10.5617 -10.5617 -9.5360 -9.5360 -9.4815 -9.4815 -9.3461 -9.3461 -9.2910 -9.2910 0.3461 0.3461 0.3608 0.3608 4.9089 4.9089 4.9183 4.9183 6.4950 6.4950 6.5126 6.5126 8.8822 8.8822 8.8880 8.8880 9.7716 9.7716 9.7719 9.7719 k =-0.3863 0.4800 0.7602 ( 3708 PWs) bands (ev): -27.6582 -27.6582 -27.6582 -27.6582 -10.5638 -10.5638 -10.5619 -10.5619 -9.5353 -9.5353 -9.4837 -9.4837 -9.3425 -9.3425 -9.2902 -9.2902 0.3484 0.3484 0.3628 0.3628 4.8958 4.8958 4.9048 4.9048 6.5095 6.5095 6.5264 6.5264 8.9307 8.9307 8.9362 8.9362 9.6881 9.6881 9.6883 9.6883 k =-0.3939 0.4622 0.7602 ( 3700 PWs) bands (ev): -27.6582 -27.6582 -27.6582 -27.6582 -10.5637 -10.5637 -10.5620 -10.5620 -9.5345 -9.5345 -9.4858 -9.4858 -9.3389 -9.3389 -9.2895 -9.2895 0.3506 0.3506 0.3645 0.3645 4.8839 4.8839 4.8926 4.8926 6.5236 6.5236 6.5397 6.5397 8.9832 8.9832 8.9883 8.9883 9.6076 9.6076 9.6077 9.6077 k =-0.4014 0.4444 0.7602 ( 3696 PWs) bands (ev): -27.6583 -27.6583 -27.6583 -27.6583 -10.5637 -10.5637 -10.5621 -10.5621 -9.5335 -9.5335 -9.4880 -9.4880 -9.3353 -9.3353 -9.2890 -9.2890 0.3525 0.3525 0.3659 0.3659 4.8733 4.8733 4.8816 4.8816 6.5373 6.5373 6.5525 6.5525 9.0394 9.0394 9.0444 9.0444 9.5303 9.5303 9.5304 9.5304 k =-0.4090 0.4266 0.7602 ( 3696 PWs) bands (ev): -27.6583 -27.6583 -27.6583 -27.6583 -10.5636 -10.5636 -10.5621 -10.5621 -9.5325 -9.5325 -9.4901 -9.4901 -9.3319 -9.3319 -9.2886 -9.2886 0.3543 0.3543 0.3671 0.3671 4.8640 4.8640 4.8719 4.8719 6.5505 6.5505 6.5647 6.5647 9.0994 9.0994 9.1043 9.1043 9.4566 9.4566 9.4570 9.4570 k =-0.4166 0.4088 0.7602 ( 3692 PWs) bands (ev): -27.6584 -27.6584 -27.6584 -27.6584 -10.5635 -10.5635 -10.5622 -10.5622 -9.5314 -9.5314 -9.4922 -9.4922 -9.3284 -9.3284 -9.2884 -9.2884 0.3559 0.3559 0.3680 0.3680 4.8558 4.8558 4.8632 4.8632 6.5631 6.5631 6.5764 6.5764 9.1631 9.1631 9.1682 9.1682 9.3870 9.3870 9.3878 9.3878 k =-0.4242 0.3909 0.7602 ( 3694 PWs) bands (ev): -27.6584 -27.6584 -27.6584 -27.6584 -10.5635 -10.5635 -10.5623 -10.5623 -9.5301 -9.5301 -9.4943 -9.4943 -9.3251 -9.3251 -9.2884 -9.2884 0.3574 0.3574 0.3686 0.3686 4.8488 4.8488 4.8556 4.8556 6.5752 6.5752 6.5875 6.5875 9.2291 9.2291 9.2359 9.2359 9.3217 9.3217 9.3243 9.3243 k =-0.4318 0.3731 0.7602 ( 3698 PWs) bands (ev): -27.6584 -27.6584 -27.6584 -27.6584 -10.5634 -10.5634 -10.5624 -10.5624 -9.5288 -9.5288 -9.4964 -9.4964 -9.3218 -9.3218 -9.2885 -9.2885 0.3587 0.3587 0.3690 0.3690 4.8427 4.8427 4.8491 4.8491 6.5866 6.5866 6.5978 6.5978 9.2546 9.2546 9.2608 9.2608 9.3078 9.3078 9.3099 9.3099 k =-0.4393 0.3553 0.7602 ( 3690 PWs) bands (ev): -27.6585 -27.6585 -27.6585 -27.6585 -10.5634 -10.5634 -10.5625 -10.5625 -9.5274 -9.5274 -9.4984 -9.4984 -9.3187 -9.3187 -9.2889 -9.2889 0.3599 0.3599 0.3693 0.3693 4.8376 4.8376 4.8434 4.8434 6.5973 6.5973 6.6074 6.6074 9.2035 9.2035 9.2055 9.2055 9.3810 9.3810 9.3830 9.3830 k =-0.4469 0.3375 0.7602 ( 3698 PWs) bands (ev): -27.6585 -27.6585 -27.6585 -27.6585 -10.5633 -10.5633 -10.5625 -10.5625 -9.5260 -9.5260 -9.5005 -9.5005 -9.3156 -9.3156 -9.2894 -9.2894 0.3610 0.3610 0.3693 0.3693 4.8334 4.8334 4.8386 4.8386 6.6072 6.6072 6.6161 6.6161 9.1542 9.1542 9.1555 9.1555 9.4593 9.4593 9.4618 9.4618 k =-0.4545 0.3197 0.7602 ( 3698 PWs) bands (ev): -27.6585 -27.6585 -27.6585 -27.6585 -10.5633 -10.5633 -10.5626 -10.5626 -9.5244 -9.5244 -9.5025 -9.5025 -9.3127 -9.3127 -9.2901 -9.2901 0.3619 0.3619 0.3692 0.3692 4.8300 4.8300 4.8345 4.8345 6.6162 6.6162 6.6238 6.6238 9.1103 9.1103 9.1113 9.1113 9.5413 9.5413 9.5441 9.5441 k =-0.4621 0.3019 0.7602 ( 3698 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5632 -10.5632 -10.5626 -10.5626 -9.5228 -9.5228 -9.5045 -9.5045 -9.3099 -9.3099 -9.2910 -9.2910 0.3629 0.3629 0.3690 0.3690 4.8274 4.8274 4.8311 4.8311 6.6241 6.6241 6.6306 6.6306 9.0725 9.0725 9.0732 9.0732 9.6265 9.6265 9.6295 9.6295 k =-0.4697 0.2841 0.7602 ( 3694 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5631 -10.5631 -10.5627 -10.5627 -9.5212 -9.5212 -9.5064 -9.5064 -9.3072 -9.3072 -9.2920 -9.2920 0.3637 0.3637 0.3687 0.3687 4.8254 4.8254 4.8284 4.8284 6.6309 6.6309 6.6361 6.6361 9.0410 9.0410 9.0416 9.0416 9.7145 9.7145 9.7177 9.7177 k =-0.4773 0.2663 0.7602 ( 3692 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5631 -10.5631 -10.5628 -10.5628 -9.5195 -9.5195 -9.5084 -9.5084 -9.3047 -9.3047 -9.2933 -9.2933 0.3645 0.3645 0.3683 0.3683 4.8239 4.8239 4.8263 4.8263 6.6365 6.6365 6.6404 6.6404 9.0163 9.0163 9.0167 9.0167 9.8043 9.8043 9.8076 9.8076 k =-0.4848 0.2485 0.7602 ( 3692 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5630 -10.5630 -10.5628 -10.5628 -9.5177 -9.5177 -9.5103 -9.5103 -9.3024 -9.3024 -9.2948 -9.2948 0.3652 0.3652 0.3678 0.3678 4.8231 4.8231 4.8246 4.8246 6.6407 6.6407 6.6433 6.6433 8.9985 8.9985 8.9988 8.9988 9.8937 9.8937 9.8970 9.8970 k =-0.4924 0.2307 0.7602 ( 3692 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5630 -10.5630 -10.5629 -10.5629 -9.5159 -9.5159 -9.5122 -9.5122 -9.3002 -9.3002 -9.2964 -9.2964 0.3659 0.3659 0.3672 0.3672 4.8227 4.8227 4.8235 4.8235 6.6435 6.6435 6.6448 6.6448 8.9877 8.9877 8.9879 8.9879 9.9751 9.9751 9.9777 9.9777 k =-0.5000 0.2128 0.7602 ( 3692 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5629 -10.5629 -10.5629 -10.5629 -9.5141 -9.5141 -9.5141 -9.5141 -9.2982 -9.2982 -9.2982 -9.2982 0.3666 0.3666 0.3666 0.3666 4.8229 4.8229 4.8229 4.8229 6.6449 6.6449 6.6449 6.6449 8.9842 8.9842 8.9842 8.9842 10.0174 10.0174 10.0174 10.0174 k =-0.5000 0.2128 0.7602 ( 3692 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5629 -10.5629 -10.5629 -10.5629 -9.5141 -9.5141 -9.5141 -9.5141 -9.2982 -9.2982 -9.2982 -9.2982 0.3666 0.3666 0.3666 0.3666 4.8229 4.8229 4.8229 4.8229 6.6449 6.6449 6.6449 6.6449 8.9842 8.9842 8.9842 8.9842 10.0174 10.0174 10.0174 10.0174 k =-0.5000 0.2128 0.7407 ( 3692 PWs) bands (ev): -27.6587 -27.6587 -27.6585 -27.6585 -10.5633 -10.5633 -10.5624 -10.5624 -9.5163 -9.5163 -9.5116 -9.5116 -9.3001 -9.3001 -9.2964 -9.2964 0.2689 0.2689 0.4661 0.4661 4.7323 4.7323 4.9152 4.9152 6.5987 6.5987 6.6929 6.6929 8.9355 8.9355 9.0311 9.0311 9.9746 9.9746 10.0655 10.0655 k =-0.5000 0.2128 0.7212 ( 3684 PWs) bands (ev): -27.6589 -27.6589 -27.6585 -27.6585 -10.5634 -10.5634 -10.5616 -10.5616 -9.5181 -9.5181 -9.5088 -9.5088 -9.3020 -9.3020 -9.2947 -9.2947 0.1730 0.1730 0.5673 0.5673 4.6438 4.6438 5.0089 5.0089 6.5542 6.5542 6.7427 6.7427 8.8851 8.8851 9.0760 9.0760 9.9370 9.9370 10.1172 10.1172 k =-0.5000 0.2128 0.7017 ( 3684 PWs) bands (ev): -27.6591 -27.6591 -27.6585 -27.6585 -10.5633 -10.5633 -10.5607 -10.5607 -9.5197 -9.5197 -9.5057 -9.5057 -9.3039 -9.3039 -9.2930 -9.2930 0.0791 0.0791 0.6700 0.6700 4.5574 4.5574 5.1039 5.1039 6.5115 6.5115 6.7945 6.7945 8.8332 8.8332 9.1191 9.1191 9.9044 9.9044 10.0685 10.0685 k =-0.5000 0.2128 0.6822 ( 3678 PWs) bands (ev): -27.6593 -27.6593 -27.6585 -27.6585 -10.5630 -10.5630 -10.5595 -10.5595 -9.5209 -9.5209 -9.5023 -9.5023 -9.3059 -9.3059 -9.2914 -9.2914 -0.0128 -0.0128 0.7740 0.7740 4.4736 4.4736 5.1998 5.1998 6.4703 6.4703 6.8482 6.8482 8.7802 8.7802 9.1605 9.1605 9.8763 9.8763 10.0187 10.0187 k =-0.5000 0.2128 0.6627 ( 3682 PWs) bands (ev): -27.6595 -27.6595 -27.6585 -27.6585 -10.5625 -10.5625 -10.5582 -10.5582 -9.5219 -9.5219 -9.4987 -9.4987 -9.3080 -9.3080 -9.2899 -9.2899 -0.1025 -0.1025 0.8792 0.8792 4.3925 4.3925 5.2965 5.2965 6.4306 6.4306 6.9040 6.9040 8.7265 8.7265 9.2003 9.2003 9.8524 9.8524 9.9722 9.9722 k =-0.5000 0.2128 0.6433 ( 3678 PWs) bands (ev): -27.6598 -27.6598 -27.6586 -27.6586 -10.5617 -10.5617 -10.5567 -10.5567 -9.5225 -9.5225 -9.4947 -9.4947 -9.3100 -9.3100 -9.2884 -9.2884 -0.1900 -0.1900 0.9853 0.9853 4.3146 4.3146 5.3935 5.3935 6.3925 6.3925 6.9618 6.9618 8.6724 8.6724 9.2389 9.2389 9.8320 9.8320 9.9291 9.9291 k =-0.5000 0.2128 0.6238 ( 3684 PWs) bands (ev): -27.6601 -27.6601 -27.6587 -27.6587 -10.5608 -10.5608 -10.5550 -10.5550 -9.5227 -9.5227 -9.4906 -9.4906 -9.3122 -9.3122 -9.2869 -9.2869 -0.2754 -0.2754 1.0919 1.0919 4.2401 4.2401 5.4907 5.4907 6.3558 6.3558 7.0218 7.0218 8.6183 8.6183 9.2765 9.2765 9.8145 9.8145 9.8896 9.8896 k =-0.5000 0.2128 0.6043 ( 3692 PWs) bands (ev): -27.6605 -27.6605 -27.6589 -27.6589 -10.5597 -10.5597 -10.5531 -10.5531 -9.5227 -9.5227 -9.4861 -9.4861 -9.3143 -9.3143 -9.2855 -9.2855 -0.3584 -0.3584 1.1988 1.1988 4.1696 4.1696 5.5875 5.5875 6.3204 6.3204 7.0840 7.0840 8.5647 8.5647 9.3134 9.3134 9.7993 9.7993 9.8536 9.8536 k =-0.5000 0.2128 0.5848 ( 3688 PWs) bands (ev): -27.6608 -27.6608 -27.6590 -27.6590 -10.5585 -10.5585 -10.5512 -10.5512 -9.5224 -9.5224 -9.4814 -9.4814 -9.3165 -9.3165 -9.2842 -9.2842 -0.4391 -0.4391 1.3055 1.3055 4.1035 4.1035 5.6838 5.6838 6.2864 6.2864 7.1483 7.1483 8.5120 8.5120 9.3496 9.3496 9.7858 9.7858 9.8212 9.8212 k =-0.5000 0.2128 0.5653 ( 3696 PWs) bands (ev): -27.6612 -27.6612 -27.6592 -27.6592 -10.5570 -10.5570 -10.5491 -10.5491 -9.5218 -9.5218 -9.4766 -9.4766 -9.3187 -9.3187 -9.2829 -9.2829 -0.5175 -0.5175 1.4114 1.4114 4.0424 4.0424 5.7789 5.7789 6.2537 6.2537 7.2150 7.2150 8.4604 8.4604 9.3854 9.3854 9.7733 9.7733 9.7924 9.7924 k =-0.5000 0.2128 0.5458 ( 3704 PWs) bands (ev): -27.6616 -27.6616 -27.6595 -27.6595 -10.5554 -10.5554 -10.5469 -10.5469 -9.5208 -9.5208 -9.4715 -9.4715 -9.3210 -9.3210 -9.2817 -9.2817 -0.5935 -0.5935 1.5159 1.5159 3.9871 3.9871 5.8726 5.8726 6.2223 6.2223 7.2839 7.2839 8.4104 8.4104 9.4209 9.4209 9.7606 9.7606 9.7680 9.7680 k =-0.5000 0.2128 0.5263 ( 3700 PWs) bands (ev): -27.6621 -27.6621 -27.6597 -27.6597 -10.5537 -10.5537 -10.5446 -10.5446 -9.5196 -9.5196 -9.4663 -9.4663 -9.3232 -9.3232 -9.2805 -9.2805 -0.6671 -0.6671 1.6183 1.6183 3.9382 3.9382 5.9640 5.9640 6.1924 6.1924 7.3551 7.3551 8.3621 8.3621 9.4559 9.4559 9.7430 9.7430 9.7524 9.7524 k =-0.5000 0.2128 0.5068 ( 3704 PWs) bands (ev): -27.6625 -27.6625 -27.6600 -27.6600 -10.5519 -10.5519 -10.5423 -10.5423 -9.5181 -9.5181 -9.4609 -9.4609 -9.3254 -9.3254 -9.2794 -9.2794 -0.7382 -0.7382 1.7174 1.7174 3.8970 3.8970 6.0520 6.0520 6.1645 6.1645 7.4287 7.4287 8.3158 8.3158 9.4903 9.4903 9.7249 9.7249 9.7410 9.7410 k =-0.5000 0.2128 0.4873 ( 3702 PWs) bands (ev): -27.6630 -27.6630 -27.6603 -27.6603 -10.5499 -10.5499 -10.5400 -10.5400 -9.5163 -9.5163 -9.4554 -9.4554 -9.3275 -9.3275 -9.2783 -9.2783 -0.8069 -0.8069 1.8123 1.8123 3.8644 3.8644 6.1197 6.1197 6.1550 6.1550 7.5046 7.5046 8.2716 8.2716 9.5239 9.5239 9.7098 9.7098 9.7303 9.7303 k =-0.5000 0.2128 0.4678 ( 3698 PWs) bands (ev): -27.6634 -27.6634 -27.6606 -27.6606 -10.5479 -10.5479 -10.5376 -10.5376 -9.5143 -9.5143 -9.4499 -9.4499 -9.3297 -9.3297 -9.2773 -9.2773 -0.8730 -0.8730 1.9015 1.9015 3.8419 3.8419 6.1040 6.1040 6.2263 6.2263 7.5829 7.5829 8.2298 8.2298 9.5562 9.5562 9.6978 9.6978 9.7203 9.7203 k =-0.5000 0.2128 0.4483 ( 3690 PWs) bands (ev): -27.6639 -27.6639 -27.6609 -27.6609 -10.5458 -10.5458 -10.5351 -10.5351 -9.5120 -9.5120 -9.4443 -9.4443 -9.3317 -9.3317 -9.2763 -9.2763 -0.9366 -0.9366 1.9836 1.9836 3.8310 3.8310 6.0791 6.0791 6.3037 6.3037 7.6635 7.6635 8.1903 8.1903 9.5862 9.5862 9.6892 9.6892 9.7116 9.7116 k =-0.5000 0.2128 0.4288 ( 3702 PWs) bands (ev): -27.6644 -27.6644 -27.6612 -27.6612 -10.5436 -10.5436 -10.5327 -10.5327 -9.5095 -9.5095 -9.4388 -9.4388 -9.3336 -9.3336 -9.2754 -9.2754 -0.9977 -0.9977 2.0573 2.0573 3.8329 3.8329 6.0545 6.0545 6.3770 6.3770 7.7465 7.7465 8.1531 8.1531 9.6128 9.6128 9.6840 9.6840 9.7050 9.7050 k =-0.5000 0.2128 0.4093 ( 3706 PWs) bands (ev): -27.6649 -27.6649 -27.6616 -27.6616 -10.5414 -10.5414 -10.5304 -10.5304 -9.5068 -9.5068 -9.4333 -9.4333 -9.3354 -9.3354 -9.2746 -9.2746 -1.0562 -1.0562 2.1211 2.1211 3.8491 3.8491 6.0308 6.0308 6.4451 6.4451 7.8318 7.8318 8.1182 8.1182 9.6337 9.6337 9.6823 9.6823 9.7016 9.7016 k =-0.5000 0.2128 0.3898 ( 3706 PWs) bands (ev): -27.6654 -27.6654 -27.6619 -27.6619 -10.5392 -10.5392 -10.5281 -10.5281 -9.5039 -9.5039 -9.4281 -9.4281 -9.3369 -9.3369 -9.2738 -9.2738 -1.1122 -1.1122 2.1743 2.1743 3.8804 3.8804 6.0079 6.0079 6.5074 6.5074 7.9195 7.9195 8.0853 8.0853 9.6467 9.6467 9.6838 9.6838 9.7025 9.7025 k =-0.5000 0.2128 0.3704 ( 3702 PWs) bands (ev): -27.6659 -27.6659 -27.6622 -27.6622 -10.5369 -10.5369 -10.5258 -10.5258 -9.5008 -9.5008 -9.4231 -9.4231 -9.3382 -9.3382 -9.2731 -9.2731 -1.1655 -1.1655 2.2163 2.2163 3.9273 3.9273 5.9861 5.9861 6.5636 6.5636 8.0094 8.0094 8.0542 8.0542 9.6502 9.6502 9.6858 9.6858 9.7088 9.7088 k =-0.5000 0.2128 0.3509 ( 3690 PWs) bands (ev): -27.6664 -27.6664 -27.6626 -27.6626 -10.5347 -10.5347 -10.5236 -10.5236 -9.4976 -9.4976 -9.4184 -9.4184 -9.3391 -9.3391 -9.2724 -9.2724 -1.2162 -1.2162 2.2473 2.2473 3.9895 3.9895 5.9653 5.9653 6.6134 6.6134 8.0246 8.0246 8.1015 8.1015 9.6394 9.6394 9.6870 9.6870 9.7214 9.7214 k =-0.5000 0.2128 0.3314 ( 3694 PWs) bands (ev): -27.6669 -27.6669 -27.6629 -27.6629 -10.5324 -10.5324 -10.5215 -10.5215 -9.4942 -9.4942 -9.4142 -9.4142 -9.3396 -9.3396 -9.2719 -9.2719 -1.2643 -1.2643 2.2683 2.2683 4.0660 4.0660 5.9455 5.9455 6.6567 6.6567 7.9962 7.9962 8.1959 8.1959 9.6043 9.6043 9.6909 9.6909 9.7416 9.7416 k =-0.5000 0.2128 0.3119 ( 3698 PWs) bands (ev): -27.6673 -27.6673 -27.6633 -27.6633 -10.5302 -10.5302 -10.5195 -10.5195 -9.4906 -9.4906 -9.4106 -9.4106 -9.3396 -9.3396 -9.2714 -9.2714 -1.3097 -1.3097 2.2805 2.2805 4.1556 4.1556 5.9267 5.9267 6.6936 6.6936 7.9686 7.9686 8.2923 8.2923 9.5398 9.5398 9.6981 9.6981 9.7701 9.7701 k =-0.5000 0.2128 0.2924 ( 3694 PWs) bands (ev): -27.6678 -27.6678 -27.6636 -27.6636 -10.5281 -10.5281 -10.5176 -10.5176 -9.4870 -9.4870 -9.4077 -9.4077 -9.3390 -9.3390 -9.2711 -9.2711 -1.3525 -1.3525 2.2852 2.2852 4.2566 4.2566 5.9089 5.9089 6.7245 6.7245 7.9417 7.9417 8.3907 8.3907 9.4485 9.4485 9.7076 9.7076 9.8075 9.8075 k =-0.5000 0.2128 0.2729 ( 3686 PWs) bands (ev): -27.6682 -27.6682 -27.6640 -27.6640 -10.5260 -10.5260 -10.5158 -10.5158 -9.4833 -9.4833 -9.4056 -9.4056 -9.3377 -9.3377 -9.2708 -9.2708 -1.3925 -1.3925 2.2841 2.2841 4.3674 4.3674 5.8922 5.8922 6.7498 6.7498 7.9152 7.9152 8.4910 8.4910 9.3362 9.3362 9.7188 9.7188 9.8538 9.8538 k =-0.5000 0.2128 0.2534 ( 3678 PWs) bands (ev): -27.6687 -27.6687 -27.6643 -27.6643 -10.5240 -10.5240 -10.5141 -10.5141 -9.4795 -9.4795 -9.4042 -9.4042 -9.3357 -9.3357 -9.2706 -9.2706 -1.4299 -1.4299 2.2786 2.2786 4.4863 4.4863 5.8765 5.8765 6.7701 6.7701 7.8891 7.8891 8.5930 8.5930 9.2086 9.2086 9.7313 9.7313 9.9088 9.9088 k =-0.5000 0.2128 0.2339 ( 3674 PWs) bands (ev): -27.6691 -27.6691 -27.6646 -27.6646 -10.5220 -10.5220 -10.5126 -10.5126 -9.4757 -9.4757 -9.4037 -9.4037 -9.3332 -9.3332 -9.2706 -9.2706 -1.4646 -1.4646 2.2699 2.2699 4.6118 4.6118 5.8619 5.8619 6.7859 6.7859 7.8634 7.8634 8.6964 8.6964 9.0703 9.0703 9.7446 9.7446 9.9714 9.9714 k =-0.5000 0.2128 0.2144 ( 3682 PWs) bands (ev): -27.6695 -27.6695 -27.6649 -27.6649 -10.5201 -10.5201 -10.5113 -10.5113 -9.4718 -9.4718 -9.4038 -9.4038 -9.3301 -9.3301 -9.2708 -9.2708 -1.4965 -1.4965 2.2591 2.2591 4.7425 4.7425 5.8484 5.8484 6.7979 6.7979 7.8383 7.8383 8.8006 8.8006 8.9251 8.9251 9.7584 9.7584 10.0250 10.0250 k =-0.5000 0.2128 0.1949 ( 3684 PWs) bands (ev): -27.6698 -27.6698 -27.6652 -27.6652 -10.5184 -10.5184 -10.5100 -10.5100 -9.4680 -9.4680 -9.4045 -9.4045 -9.3267 -9.3267 -9.2710 -9.2710 -1.5257 -1.5257 2.2470 2.2470 4.8770 4.8770 5.8361 5.8361 6.8068 6.8068 7.8140 7.8140 8.7726 8.7726 8.9082 8.9082 9.7725 9.7725 10.0084 10.0084 k =-0.5000 0.2128 0.1754 ( 3686 PWs) bands (ev): -27.6701 -27.6701 -27.6654 -27.6654 -10.5167 -10.5167 -10.5089 -10.5089 -9.4641 -9.4641 -9.4058 -9.4058 -9.3231 -9.3231 -9.2715 -9.2715 -1.5522 -1.5522 2.2344 2.2344 5.0138 5.0138 5.8248 5.8248 6.8131 6.8131 7.7909 7.7909 8.6197 8.6197 9.0140 9.0140 9.7863 9.7863 9.9825 9.9825 k =-0.5000 0.2128 0.1559 ( 3686 PWs) bands (ev): -27.6704 -27.6704 -27.6656 -27.6656 -10.5151 -10.5151 -10.5080 -10.5080 -9.4602 -9.4602 -9.4075 -9.4075 -9.3193 -9.3193 -9.2721 -9.2721 -1.5759 -1.5759 2.2219 2.2219 5.1516 5.1516 5.8147 5.8147 6.8173 6.8173 7.7691 7.7691 8.4658 8.4658 9.1201 9.1201 9.7995 9.7995 9.9549 9.9549 k =-0.5000 0.2128 0.1364 ( 3676 PWs) bands (ev): -27.6707 -27.6707 -27.6659 -27.6659 -10.5137 -10.5137 -10.5072 -10.5072 -9.4564 -9.4564 -9.4095 -9.4095 -9.3154 -9.3154 -9.2728 -9.2728 -1.5968 -1.5968 2.2100 2.2100 5.2885 5.2885 5.8057 5.8057 6.8200 6.8200 7.7490 7.7490 8.3136 8.3136 9.2255 9.2255 9.8117 9.8117 9.9278 9.9278 k =-0.5000 0.2128 0.1170 ( 3664 PWs) bands (ev): -27.6710 -27.6710 -27.6660 -27.6660 -10.5124 -10.5124 -10.5066 -10.5066 -9.4526 -9.4526 -9.4118 -9.4118 -9.3117 -9.3117 -9.2737 -9.2737 -1.6150 -1.6150 2.1990 2.1990 5.4224 5.4224 5.7979 5.7979 6.8215 6.8215 7.7310 7.7310 8.1657 8.1657 9.3287 9.3287 9.8219 9.8219 9.9030 9.9030 k =-0.5000 0.2128 0.0975 ( 3670 PWs) bands (ev): -27.6712 -27.6712 -27.6662 -27.6662 -10.5113 -10.5113 -10.5061 -10.5061 -9.4489 -9.4489 -9.4143 -9.4143 -9.3081 -9.3081 -9.2748 -9.2748 -1.6303 -1.6303 2.1892 2.1892 5.5504 5.5504 5.7913 5.7913 6.8222 6.8222 7.7153 7.7153 8.0252 8.0252 9.4282 9.4282 9.8287 9.8287 9.8830 9.8830 k =-0.5000 0.2128 0.0780 ( 3676 PWs) bands (ev): -27.6713 -27.6713 -27.6663 -27.6663 -10.5103 -10.5103 -10.5057 -10.5057 -9.4453 -9.4453 -9.4169 -9.4169 -9.3048 -9.3048 -9.2760 -9.2760 -1.6429 -1.6429 2.1810 2.1810 5.6688 5.6688 5.7859 5.7859 6.8225 6.8225 7.7020 7.7020 7.8963 7.8963 9.5212 9.5212 9.8291 9.8291 9.8712 9.8712 k =-0.5000 0.2128 0.0585 ( 3680 PWs) bands (ev): -27.6715 -27.6715 -27.6664 -27.6664 -10.5095 -10.5095 -10.5055 -10.5055 -9.4418 -9.4418 -9.4197 -9.4197 -9.3019 -9.3019 -9.2772 -9.2772 -1.6527 -1.6527 2.1744 2.1744 5.7725 5.7725 5.7818 5.7818 6.8224 6.8224 7.6915 7.6915 7.7841 7.7841 9.6040 9.6040 9.8226 9.8226 9.8686 9.8686 k =-0.5000 0.2128 0.0390 ( 3684 PWs) bands (ev): -27.6715 -27.6715 -27.6665 -27.6665 -10.5088 -10.5088 -10.5054 -10.5054 -9.4386 -9.4386 -9.4224 -9.4224 -9.2995 -9.2995 -9.2783 -9.2783 -1.6597 -1.6597 2.1695 2.1695 5.7786 5.7786 5.8550 5.8550 6.8223 6.8223 7.6838 7.6838 7.6957 7.6957 9.6711 9.6711 9.8144 9.8144 9.8701 9.8701 k =-0.5000 0.2128 0.0195 ( 3684 PWs) bands (ev): -27.6716 -27.6716 -27.6665 -27.6665 -10.5084 -10.5084 -10.5053 -10.5053 -9.4359 -9.4359 -9.4247 -9.4247 -9.2980 -9.2980 -9.2791 -9.2791 -1.6639 -1.6639 2.1666 2.1666 5.7768 5.7768 5.9088 5.9088 6.8222 6.8222 7.6380 7.6380 7.6794 7.6794 9.7158 9.7158 9.8086 9.8086 9.8719 9.8719 k =-0.5000 0.2128 0.0000 ( 3692 PWs) bands (ev): -27.6716 -27.6716 -27.6666 -27.6666 -10.5083 -10.5083 -10.5053 -10.5053 -9.4347 -9.4347 -9.4258 -9.4258 -9.2974 -9.2974 -9.2794 -9.2794 -1.6653 -1.6653 2.1656 2.1656 5.7762 5.7762 5.9276 5.9276 6.8221 6.8221 7.6179 7.6179 7.6778 7.6778 9.7316 9.7316 9.8066 9.8066 9.8726 9.8726 k = 0.0000 0.0000 0.7602 ( 3704 PWs) bands (ev): -27.6587 -27.6587 -27.6587 -27.6587 -10.5451 -10.5451 -10.5451 -10.5451 -9.4556 -9.4556 -9.4556 -9.4556 -9.3745 -9.3745 -9.3745 -9.3745 0.2314 0.2314 0.2314 0.2314 5.4672 5.4672 5.4672 5.4672 6.3619 6.3619 6.3619 6.3619 7.8283 7.8283 7.8283 7.8283 10.5830 10.5830 10.5830 10.5830 k =-0.0179 0.0076 0.7602 ( 3700 PWs) bands (ev): -27.6587 -27.6587 -27.6587 -27.6587 -10.5451 -10.5451 -10.5451 -10.5451 -9.4560 -9.4560 -9.4560 -9.4560 -9.3741 -9.3741 -9.3741 -9.3741 0.2318 0.2318 0.2318 0.2318 5.4649 5.4649 5.4649 5.4649 6.3627 6.3627 6.3627 6.3627 7.8307 7.8307 7.8307 7.8307 10.5842 10.5842 10.5842 10.5842 k =-0.0357 0.0152 0.7602 ( 3704 PWs) bands (ev): -27.6587 -27.6587 -27.6587 -27.6587 -10.5453 -10.5453 -10.5453 -10.5453 -9.4571 -9.4571 -9.4571 -9.4571 -9.3729 -9.3729 -9.3729 -9.3729 0.2330 0.2330 0.2330 0.2330 5.4580 5.4580 5.4580 5.4580 6.3650 6.3650 6.3650 6.3650 7.8381 7.8381 7.8381 7.8381 10.5879 10.5879 10.5879 10.5879 k =-0.0536 0.0228 0.7602 ( 3696 PWs) bands (ev): -27.6587 -27.6587 -27.6587 -27.6587 -10.5456 -10.5456 -10.5456 -10.5456 -9.4587 -9.4587 -9.4587 -9.4587 -9.3709 -9.3709 -9.3709 -9.3709 0.2350 0.2350 0.2350 0.2350 5.4466 5.4466 5.4466 5.4466 6.3689 6.3689 6.3689 6.3689 7.8503 7.8503 7.8503 7.8503 10.5939 10.5939 10.5939 10.5939 k =-0.0714 0.0304 0.7602 ( 3696 PWs) bands (ev): -27.6587 -27.6587 -27.6587 -27.6587 -10.5459 -10.5459 -10.5459 -10.5459 -9.4609 -9.4609 -9.4609 -9.4609 -9.3683 -9.3683 -9.3683 -9.3683 0.2377 0.2377 0.2377 0.2377 5.4310 5.4310 5.4310 5.4310 6.3742 6.3742 6.3742 6.3742 7.8672 7.8672 7.8672 7.8672 10.6017 10.6017 10.6017 10.6017 k =-0.0893 0.0380 0.7602 ( 3704 PWs) bands (ev): -27.6587 -27.6587 -27.6587 -27.6587 -10.5464 -10.5464 -10.5464 -10.5464 -9.4636 -9.4636 -9.4636 -9.4636 -9.3652 -9.3652 -9.3652 -9.3652 0.2411 0.2411 0.2411 0.2411 5.4115 5.4115 5.4115 5.4115 6.3810 6.3810 6.3810 6.3810 7.8888 7.8888 7.8888 7.8888 10.6108 10.6108 10.6108 10.6108 k =-0.1071 0.0456 0.7602 ( 3700 PWs) bands (ev): -27.6587 -27.6587 -27.6587 -27.6587 -10.5470 -10.5470 -10.5470 -10.5470 -9.4665 -9.4665 -9.4665 -9.4665 -9.3617 -9.3617 -9.3617 -9.3617 0.2453 0.2453 0.2453 0.2453 5.3883 5.3883 5.3883 5.3883 6.3891 6.3891 6.3891 6.3891 7.9148 7.9148 7.9148 7.9148 10.6208 10.6208 10.6208 10.6208 k =-0.1250 0.0532 0.7602 ( 3690 PWs) bands (ev): -27.6587 -27.6587 -27.6587 -27.6587 -10.5477 -10.5477 -10.5477 -10.5477 -9.4696 -9.4696 -9.4696 -9.4696 -9.3579 -9.3579 -9.3579 -9.3579 0.2501 0.2501 0.2501 0.2501 5.3619 5.3619 5.3619 5.3619 6.3986 6.3986 6.3986 6.3986 7.9451 7.9451 7.9451 7.9451 10.6307 10.6307 10.6307 10.6307 k =-0.1429 0.0608 0.7602 ( 3686 PWs) bands (ev): -27.6587 -27.6587 -27.6587 -27.6587 -10.5484 -10.5484 -10.5484 -10.5484 -9.4729 -9.4729 -9.4729 -9.4729 -9.3539 -9.3539 -9.3539 -9.3539 0.2555 0.2555 0.2555 0.2555 5.3328 5.3328 5.3328 5.3328 6.4093 6.4093 6.4093 6.4093 7.9796 7.9796 7.9796 7.9796 10.6397 10.6397 10.6397 10.6397 k =-0.1607 0.0684 0.7602 ( 3686 PWs) bands (ev): -27.6587 -27.6587 -27.6587 -27.6587 -10.5493 -10.5493 -10.5493 -10.5493 -9.4762 -9.4762 -9.4762 -9.4762 -9.3497 -9.3497 -9.3497 -9.3497 0.2614 0.2614 0.2614 0.2614 5.3014 5.3014 5.3014 5.3014 6.4212 6.4212 6.4212 6.4212 8.0180 8.0180 8.0180 8.0180 10.6468 10.6468 10.6468 10.6468 k =-0.1786 0.0760 0.7602 ( 3698 PWs) bands (ev): -27.6587 -27.6587 -27.6587 -27.6587 -10.5502 -10.5502 -10.5502 -10.5502 -9.4796 -9.4796 -9.4796 -9.4796 -9.3455 -9.3455 -9.3455 -9.3455 0.2678 0.2678 0.2678 0.2678 5.2681 5.2681 5.2681 5.2681 6.4340 6.4340 6.4340 6.4340 8.0601 8.0601 8.0601 8.0601 10.6510 10.6510 10.6510 10.6510 k =-0.1964 0.0836 0.7602 ( 3708 PWs) bands (ev): -27.6587 -27.6587 -27.6587 -27.6587 -10.5511 -10.5511 -10.5511 -10.5511 -9.4829 -9.4829 -9.4829 -9.4829 -9.3413 -9.3413 -9.3413 -9.3413 0.2746 0.2746 0.2746 0.2746 5.2335 5.2335 5.2335 5.2335 6.4478 6.4478 6.4478 6.4478 8.1058 8.1058 8.1058 8.1058 10.6511 10.6511 10.6511 10.6511 k =-0.2143 0.0912 0.7602 ( 3700 PWs) bands (ev): -27.6587 -27.6587 -27.6587 -27.6587 -10.5521 -10.5521 -10.5521 -10.5521 -9.4861 -9.4861 -9.4861 -9.4861 -9.3371 -9.3371 -9.3371 -9.3371 0.2817 0.2817 0.2817 0.2817 5.1980 5.1980 5.1980 5.1980 6.4624 6.4624 6.4624 6.4624 8.1547 8.1547 8.1547 8.1547 10.6461 10.6461 10.6461 10.6461 k =-0.2321 0.0988 0.7602 ( 3690 PWs) bands (ev): -27.6587 -27.6587 -27.6587 -27.6587 -10.5530 -10.5530 -10.5530 -10.5530 -9.4892 -9.4892 -9.4892 -9.4892 -9.3330 -9.3330 -9.3330 -9.3330 0.2891 0.2891 0.2891 0.2891 5.1620 5.1620 5.1620 5.1620 6.4775 6.4775 6.4775 6.4775 8.2068 8.2068 8.2068 8.2068 10.6349 10.6349 10.6349 10.6349 k =-0.2500 0.1064 0.7602 ( 3688 PWs) bands (ev): -27.6587 -27.6587 -27.6587 -27.6587 -10.5540 -10.5540 -10.5540 -10.5540 -9.4922 -9.4922 -9.4922 -9.4922 -9.3289 -9.3289 -9.3289 -9.3289 0.2966 0.2966 0.2966 0.2966 5.1261 5.1261 5.1261 5.1261 6.4931 6.4931 6.4931 6.4931 8.2617 8.2617 8.2617 8.2617 10.6168 10.6168 10.6168 10.6168 k =-0.2679 0.1140 0.7602 ( 3680 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5550 -10.5550 -10.5550 -10.5550 -9.4951 -9.4951 -9.4951 -9.4951 -9.3251 -9.3251 -9.3251 -9.3251 0.3042 0.3042 0.3042 0.3042 5.0907 5.0907 5.0907 5.0907 6.5089 6.5089 6.5089 6.5089 8.3192 8.3192 8.3192 8.3192 10.5913 10.5913 10.5913 10.5913 k =-0.2857 0.1216 0.7602 ( 3686 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5560 -10.5560 -10.5560 -10.5560 -9.4978 -9.4978 -9.4978 -9.4978 -9.3214 -9.3214 -9.3214 -9.3214 0.3117 0.3117 0.3117 0.3117 5.0561 5.0561 5.0561 5.0561 6.5248 6.5248 6.5248 6.5248 8.3789 8.3789 8.3789 8.3789 10.5583 10.5583 10.5583 10.5583 k =-0.3036 0.1292 0.7602 ( 3682 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5570 -10.5570 -10.5570 -10.5570 -9.5003 -9.5003 -9.5003 -9.5003 -9.3179 -9.3179 -9.3179 -9.3179 0.3192 0.3192 0.3192 0.3192 5.0227 5.0227 5.0227 5.0227 6.5406 6.5406 6.5406 6.5406 8.4406 8.4406 8.4406 8.4406 10.5181 10.5181 10.5181 10.5181 k =-0.3214 0.1368 0.7602 ( 3682 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5579 -10.5579 -10.5579 -10.5579 -9.5026 -9.5026 -9.5026 -9.5026 -9.3147 -9.3147 -9.3147 -9.3147 0.3263 0.3263 0.3263 0.3263 4.9910 4.9910 4.9910 4.9910 6.5560 6.5560 6.5560 6.5560 8.5037 8.5037 8.5037 8.5037 10.4715 10.4715 10.4715 10.4715 k =-0.3393 0.1444 0.7602 ( 3686 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5588 -10.5588 -10.5588 -10.5588 -9.5048 -9.5048 -9.5048 -9.5048 -9.3117 -9.3117 -9.3117 -9.3117 0.3332 0.3332 0.3332 0.3332 4.9613 4.9613 4.9613 4.9613 6.5708 6.5708 6.5708 6.5708 8.5678 8.5678 8.5678 8.5678 10.4195 10.4195 10.4195 10.4195 k =-0.3571 0.1520 0.7602 ( 3686 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5596 -10.5596 -10.5596 -10.5596 -9.5067 -9.5067 -9.5067 -9.5067 -9.3089 -9.3089 -9.3089 -9.3089 0.3396 0.3396 0.3396 0.3396 4.9338 4.9338 4.9338 4.9338 6.5848 6.5848 6.5848 6.5848 8.6321 8.6321 8.6321 8.6321 10.3635 10.3635 10.3635 10.3635 k =-0.3750 0.1596 0.7602 ( 3682 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5603 -10.5603 -10.5603 -10.5603 -9.5084 -9.5084 -9.5084 -9.5084 -9.3065 -9.3065 -9.3065 -9.3065 0.3456 0.3456 0.3456 0.3456 4.9089 4.9089 4.9089 4.9089 6.5978 6.5978 6.5978 6.5978 8.6958 8.6958 8.6958 8.6958 10.3049 10.3049 10.3049 10.3049 k =-0.3929 0.1672 0.7602 ( 3682 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5610 -10.5610 -10.5610 -10.5610 -9.5099 -9.5099 -9.5099 -9.5099 -9.3043 -9.3043 -9.3043 -9.3043 0.3509 0.3509 0.3509 0.3509 4.8867 4.8867 4.8867 4.8867 6.6096 6.6096 6.6096 6.6096 8.7578 8.7578 8.7578 8.7578 10.2456 10.2456 10.2456 10.2456 k =-0.4107 0.1748 0.7602 ( 3684 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5616 -10.5616 -10.5616 -10.5616 -9.5112 -9.5112 -9.5112 -9.5112 -9.3025 -9.3025 -9.3025 -9.3025 0.3555 0.3555 0.3555 0.3555 4.8676 4.8676 4.8676 4.8676 6.6199 6.6199 6.6199 6.6199 8.8167 8.8167 8.8167 8.8167 10.1877 10.1877 10.1877 10.1877 k =-0.4286 0.1824 0.7602 ( 3684 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5621 -10.5621 -10.5621 -10.5621 -9.5122 -9.5122 -9.5122 -9.5122 -9.3010 -9.3010 -9.3010 -9.3010 0.3594 0.3594 0.3594 0.3594 4.8517 4.8517 4.8517 4.8517 6.6287 6.6287 6.6287 6.6287 8.8704 8.8704 8.8704 8.8704 10.1337 10.1337 10.1337 10.1337 k =-0.4464 0.1900 0.7602 ( 3680 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5624 -10.5624 -10.5624 -10.5624 -9.5130 -9.5130 -9.5130 -9.5130 -9.2998 -9.2998 -9.2998 -9.2998 0.3625 0.3625 0.3625 0.3625 4.8392 4.8392 4.8392 4.8392 6.6357 6.6357 6.6357 6.6357 8.9168 8.9168 8.9168 8.9168 10.0865 10.0865 10.0865 10.0865 k =-0.4643 0.1976 0.7602 ( 3688 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5627 -10.5627 -10.5627 -10.5627 -9.5136 -9.5136 -9.5136 -9.5136 -9.2989 -9.2989 -9.2989 -9.2989 0.3648 0.3648 0.3648 0.3648 4.8302 4.8302 4.8302 4.8302 6.6408 6.6408 6.6408 6.6408 8.9530 8.9530 8.9530 8.9530 10.0495 10.0495 10.0495 10.0495 k =-0.4821 0.2052 0.7602 ( 3688 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5629 -10.5629 -10.5629 -10.5629 -9.5140 -9.5140 -9.5140 -9.5140 -9.2984 -9.2984 -9.2984 -9.2984 0.3661 0.3661 0.3661 0.3661 4.8247 4.8247 4.8247 4.8247 6.6439 6.6439 6.6439 6.6439 8.9762 8.9762 8.9762 8.9762 10.0256 10.0256 10.0256 10.0256 k =-0.5000 0.2128 0.7602 ( 3692 PWs) bands (ev): -27.6586 -27.6586 -27.6586 -27.6586 -10.5629 -10.5629 -10.5629 -10.5629 -9.5141 -9.5141 -9.5141 -9.5141 -9.2982 -9.2982 -9.2982 -9.2982 0.3666 0.3666 0.3666 0.3666 4.8229 4.8229 4.8229 4.8229 6.6449 6.6449 6.6449 6.6449 8.9842 8.9842 8.9842 8.9842 10.0174 10.0174 10.0174 10.0174 Writing output data file SrSi.save init_run : 3.17s CPU 13.08s WALL ( 1 calls) electrons : 430.29s CPU 437.37s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.16s WALL ( 1 calls) potinit : 0.40s CPU 1.41s WALL ( 1 calls) Called by electrons: c_bands : 430.27s CPU 437.12s WALL ( 1 calls) v_of_rho : 0.22s CPU 0.89s WALL ( 1 calls) v_h : 0.00s CPU 0.02s WALL ( 1 calls) v_xc : 0.21s CPU 0.50s WALL ( 1 calls) newd : 0.21s CPU 0.44s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.07s WALL ( 388 calls) cegterg : 375.89s CPU 378.76s WALL ( 854 calls) Called by sum_band: Called by *egterg: h_psi : 203.43s CPU 210.41s WALL ( 14735 calls) s_psi : 15.08s CPU 16.15s WALL ( 14735 calls) g_psi : 0.45s CPU 0.54s WALL ( 13493 calls) cdiaghg : 110.74s CPU 108.53s WALL ( 13881 calls) cegterg:over : 31.40s CPU 27.20s WALL ( 13493 calls) cegterg:upda : 4.45s CPU 8.04s WALL ( 13493 calls) cegterg:last : 4.75s CPU 5.72s WALL ( 2417 calls) Called by h_psi: h_psi:vloc : 171.29s CPU 177.77s WALL ( 14735 calls) h_psi:vnl : 31.94s CPU 32.07s WALL ( 14735 calls) add_vuspsi : 8.51s CPU 12.58s WALL ( 14735 calls) General routines calbec : 23.39s CPU 19.37s WALL ( 14735 calls) fft : 0.31s CPU 1.29s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 161.80s CPU 167.23s WALL ( 1022140 calls) interpolate : 0.08s CPU 0.09s WALL ( 4 calls) davcio : 0.02s CPU 2.96s WALL ( 776 calls) Parallel routines fft_scatter : 98.34s CPU 100.12s WALL ( 1022163 calls) PWSCF : 8m 5.71s CPU 10m39.48s WALL This run was terminated on: 5:14:44 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=