Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 4:52 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./PbS.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 46 41 12 1206 999 158 Max 47 42 13 1209 1013 162 Sum 1683 1481 441 43465 36265 5751 bravais-lattice index = 14 lattice parameter (alat) = 12.8421 a.u. unit-cell volume = 833.6704 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 212.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.842145 celldm(2)= 1.000000 celldm(3)= 0.650405 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.796074 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.796074 0.605199 0.000000 ) a(3) = ( 0.000000 0.000000 0.650405 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.315393 -0.000000 ) b(2) = ( 0.000000 1.652349 -0.000000 ) b(3) = ( 0.000000 0.000000 1.537505 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 PseudoPot. # 2 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 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 S 6.00 32.06500 S( 1.00) Pb 14.00 207.20000 Pb( 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 ) ( 0.3252023 ) 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 ) ( 0.3252023 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 380 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 2) = ( 0.0067899 0.0201506 -0.0000000), wk = 0.0026316 k( 3) = ( 0.0135797 0.0403012 -0.0000000), wk = 0.0026316 k( 4) = ( 0.0203696 0.0604518 -0.0000000), wk = 0.0026316 k( 5) = ( 0.0271595 0.0806024 -0.0000000), wk = 0.0026316 k( 6) = ( 0.0339494 0.1007530 -0.0000000), wk = 0.0026316 k( 7) = ( 0.0407393 0.1209036 -0.0000000), wk = 0.0026316 k( 8) = ( 0.0475291 0.1410542 -0.0000000), wk = 0.0026316 k( 9) = ( 0.0543190 0.1612048 -0.0000000), wk = 0.0026316 k( 10) = ( 0.0611089 0.1813554 -0.0000000), wk = 0.0026316 k( 11) = ( 0.0678988 0.2015060 -0.0000000), wk = 0.0026316 k( 12) = ( 0.0746886 0.2216566 -0.0000000), wk = 0.0026316 k( 13) = ( 0.0814785 0.2418072 -0.0000000), wk = 0.0026316 k( 14) = ( 0.0882684 0.2619578 -0.0000000), wk = 0.0026316 k( 15) = ( 0.0950583 0.2821084 -0.0000000), wk = 0.0026316 k( 16) = ( 0.1018481 0.3022590 -0.0000000), wk = 0.0026316 k( 17) = ( 0.1086380 0.3224096 -0.0000000), wk = 0.0026316 k( 18) = ( 0.1154279 0.3425602 -0.0000000), wk = 0.0026316 k( 19) = ( 0.1222178 0.3627108 -0.0000000), wk = 0.0026316 k( 20) = ( 0.1290077 0.3828614 -0.0000000), wk = 0.0026316 k( 21) = ( 0.1357975 0.4030120 -0.0000000), wk = 0.0026316 k( 22) = ( 0.1425874 0.4231626 -0.0000000), wk = 0.0026316 k( 23) = ( 0.1493773 0.4433132 -0.0000000), wk = 0.0026316 k( 24) = ( 0.1561672 0.4634638 -0.0000000), wk = 0.0026316 k( 25) = ( 0.1629570 0.4836144 -0.0000000), wk = 0.0026316 k( 26) = ( 0.1697469 0.5037650 -0.0000000), wk = 0.0026316 k( 27) = ( 0.1765368 0.5239156 -0.0000000), wk = 0.0026316 k( 28) = ( 0.1833267 0.5440662 -0.0000000), wk = 0.0026316 k( 29) = ( 0.1901165 0.5642168 -0.0000000), wk = 0.0026316 k( 30) = ( 0.1969064 0.5843674 -0.0000000), wk = 0.0026316 k( 31) = ( 0.2036963 0.6045180 -0.0000000), wk = 0.0026316 k( 32) = ( 0.2104862 0.6246686 -0.0000000), wk = 0.0026316 k( 33) = ( 0.2172760 0.6448192 -0.0000000), wk = 0.0026316 k( 34) = ( 0.2240659 0.6649698 -0.0000000), wk = 0.0026316 k( 35) = ( 0.2308558 0.6851204 -0.0000000), wk = 0.0026316 k( 36) = ( 0.2376457 0.7052710 -0.0000000), wk = 0.0026316 k( 37) = ( 0.2444355 0.7254216 -0.0000000), wk = 0.0026316 k( 38) = ( 0.2512254 0.7455722 -0.0000000), wk = 0.0026316 k( 39) = ( 0.2580153 0.7657228 -0.0000000), wk = 0.0026316 k( 40) = ( 0.2648052 0.7858734 -0.0000000), wk = 0.0026316 k( 41) = ( 0.2715951 0.8060240 -0.0000000), wk = 0.0026316 k( 42) = ( 0.2783849 0.8261746 -0.0000000), wk = 0.0026316 k( 43) = ( 0.2783849 0.8261746 -0.0000000), wk = 0.0026316 k( 44) = ( 0.2569707 0.8261746 -0.0000000), wk = 0.0026316 k( 45) = ( 0.2355565 0.8261746 -0.0000000), wk = 0.0026316 k( 46) = ( 0.2141423 0.8261746 -0.0000000), wk = 0.0026316 k( 47) = ( 0.1927280 0.8261746 -0.0000000), wk = 0.0026316 k( 48) = ( 0.1713138 0.8261746 -0.0000000), wk = 0.0026316 k( 49) = ( 0.1498996 0.8261746 -0.0000000), wk = 0.0026316 k( 50) = ( 0.1284853 0.8261746 -0.0000000), wk = 0.0026316 k( 51) = ( 0.1070711 0.8261746 -0.0000000), wk = 0.0026316 k( 52) = ( 0.0856569 0.8261746 -0.0000000), wk = 0.0026316 k( 53) = ( 0.0642427 0.8261746 -0.0000000), wk = 0.0026316 k( 54) = ( 0.0428284 0.8261746 -0.0000000), wk = 0.0026316 k( 55) = ( 0.0214142 0.8261746 -0.0000000), wk = 0.0026316 k( 56) = ( 0.0000000 0.8261746 -0.0000000), wk = 0.0026316 k( 57) = ( 0.0000000 0.8261746 -0.0000000), wk = 0.0026316 k( 58) = ( 0.0000000 0.8261746 0.0213542), wk = 0.0026316 k( 59) = ( 0.0000000 0.8261746 0.0427085), wk = 0.0026316 k( 60) = ( 0.0000000 0.8261746 0.0640627), wk = 0.0026316 k( 61) = ( 0.0000000 0.8261746 0.0854169), wk = 0.0026316 k( 62) = ( 0.0000000 0.8261746 0.1067712), wk = 0.0026316 k( 63) = ( 0.0000000 0.8261746 0.1281254), wk = 0.0026316 k( 64) = ( 0.0000000 0.8261746 0.1494796), wk = 0.0026316 k( 65) = ( 0.0000000 0.8261746 0.1708339), wk = 0.0026316 k( 66) = ( 0.0000000 0.8261746 0.1921881), wk = 0.0026316 k( 67) = ( 0.0000000 0.8261746 0.2135423), wk = 0.0026316 k( 68) = ( 0.0000000 0.8261746 0.2348966), wk = 0.0026316 k( 69) = ( 0.0000000 0.8261746 0.2562508), wk = 0.0026316 k( 70) = ( 0.0000000 0.8261746 0.2776050), wk = 0.0026316 k( 71) = ( 0.0000000 0.8261746 0.2989592), wk = 0.0026316 k( 72) = ( 0.0000000 0.8261746 0.3203135), wk = 0.0026316 k( 73) = ( 0.0000000 0.8261746 0.3416677), wk = 0.0026316 k( 74) = ( 0.0000000 0.8261746 0.3630219), wk = 0.0026316 k( 75) = ( 0.0000000 0.8261746 0.3843762), wk = 0.0026316 k( 76) = ( 0.0000000 0.8261746 0.4057304), wk = 0.0026316 k( 77) = ( 0.0000000 0.8261746 0.4270846), wk = 0.0026316 k( 78) = ( 0.0000000 0.8261746 0.4484389), wk = 0.0026316 k( 79) = ( 0.0000000 0.8261746 0.4697931), wk = 0.0026316 k( 80) = ( 0.0000000 0.8261746 0.4911473), wk = 0.0026316 k( 81) = ( 0.0000000 0.8261746 0.5125016), wk = 0.0026316 k( 82) = ( 0.0000000 0.8261746 0.5338558), wk = 0.0026316 k( 83) = ( 0.0000000 0.8261746 0.5552100), wk = 0.0026316 k( 84) = ( 0.0000000 0.8261746 0.5765643), wk = 0.0026316 k( 85) = ( 0.0000000 0.8261746 0.5979185), wk = 0.0026316 k( 86) = ( 0.0000000 0.8261746 0.6192727), wk = 0.0026316 k( 87) = ( 0.0000000 0.8261746 0.6406270), wk = 0.0026316 k( 88) = ( 0.0000000 0.8261746 0.6619812), wk = 0.0026316 k( 89) = ( 0.0000000 0.8261746 0.6833354), wk = 0.0026316 k( 90) = ( 0.0000000 0.8261746 0.7046896), wk = 0.0026316 k( 91) = ( 0.0000000 0.8261746 0.7260439), wk = 0.0026316 k( 92) = ( 0.0000000 0.8261746 0.7473981), wk = 0.0026316 k( 93) = ( 0.0000000 0.8261746 0.7687523), wk = 0.0026316 k( 94) = ( 0.0000000 0.8261746 0.7687523), wk = 0.0026316 k( 95) = ( 0.0214142 0.8261746 0.7687523), wk = 0.0026316 k( 96) = ( 0.0428284 0.8261746 0.7687523), wk = 0.0026316 k( 97) = ( 0.0642427 0.8261746 0.7687523), wk = 0.0026316 k( 98) = ( 0.0856569 0.8261746 0.7687523), wk = 0.0026316 k( 99) = ( 0.1070711 0.8261746 0.7687523), wk = 0.0026316 k( 100) = ( 0.1284853 0.8261746 0.7687523), wk = 0.0026316 k( 101) = ( 0.1498996 0.8261746 0.7687523), wk = 0.0026316 k( 102) = ( 0.1713138 0.8261746 0.7687523), wk = 0.0026316 k( 103) = ( 0.1927280 0.8261746 0.7687523), wk = 0.0026316 k( 104) = ( 0.2141423 0.8261746 0.7687523), wk = 0.0026316 k( 105) = ( 0.2355565 0.8261746 0.7687523), wk = 0.0026316 k( 106) = ( 0.2569707 0.8261746 0.7687523), wk = 0.0026316 k( 107) = ( 0.2783849 0.8261746 0.7687523), wk = 0.0026316 k( 108) = ( 0.2783849 0.8261746 0.7687523), wk = 0.0026316 k( 109) = ( 0.2715951 0.8060240 0.7687523), wk = 0.0026316 k( 110) = ( 0.2648052 0.7858734 0.7687523), wk = 0.0026316 k( 111) = ( 0.2580153 0.7657228 0.7687523), wk = 0.0026316 k( 112) = ( 0.2512254 0.7455722 0.7687523), wk = 0.0026316 k( 113) = ( 0.2444355 0.7254216 0.7687523), wk = 0.0026316 k( 114) = ( 0.2376457 0.7052710 0.7687523), wk = 0.0026316 k( 115) = ( 0.2308558 0.6851204 0.7687523), wk = 0.0026316 k( 116) = ( 0.2240659 0.6649698 0.7687523), wk = 0.0026316 k( 117) = ( 0.2172760 0.6448192 0.7687523), wk = 0.0026316 k( 118) = ( 0.2104862 0.6246686 0.7687523), wk = 0.0026316 k( 119) = ( 0.2036963 0.6045180 0.7687523), wk = 0.0026316 k( 120) = ( 0.1969064 0.5843674 0.7687523), wk = 0.0026316 k( 121) = ( 0.1901165 0.5642168 0.7687523), wk = 0.0026316 k( 122) = ( 0.1833267 0.5440662 0.7687523), wk = 0.0026316 k( 123) = ( 0.1765368 0.5239156 0.7687523), wk = 0.0026316 k( 124) = ( 0.1697469 0.5037650 0.7687523), wk = 0.0026316 k( 125) = ( 0.1629570 0.4836144 0.7687523), wk = 0.0026316 k( 126) = ( 0.1561672 0.4634638 0.7687523), wk = 0.0026316 k( 127) = ( 0.1493773 0.4433132 0.7687523), wk = 0.0026316 k( 128) = ( 0.1425874 0.4231626 0.7687523), wk = 0.0026316 k( 129) = ( 0.1357975 0.4030120 0.7687523), wk = 0.0026316 k( 130) = ( 0.1290077 0.3828614 0.7687523), wk = 0.0026316 k( 131) = ( 0.1222178 0.3627108 0.7687523), wk = 0.0026316 k( 132) = ( 0.1154279 0.3425602 0.7687523), wk = 0.0026316 k( 133) = ( 0.1086380 0.3224096 0.7687523), wk = 0.0026316 k( 134) = ( 0.1018481 0.3022590 0.7687523), wk = 0.0026316 k( 135) = ( 0.0950583 0.2821084 0.7687523), wk = 0.0026316 k( 136) = ( 0.0882684 0.2619578 0.7687523), wk = 0.0026316 k( 137) = ( 0.0814785 0.2418072 0.7687523), wk = 0.0026316 k( 138) = ( 0.0746886 0.2216566 0.7687523), wk = 0.0026316 k( 139) = ( 0.0678988 0.2015060 0.7687523), wk = 0.0026316 k( 140) = ( 0.0611089 0.1813554 0.7687523), wk = 0.0026316 k( 141) = ( 0.0543190 0.1612048 0.7687523), wk = 0.0026316 k( 142) = ( 0.0475291 0.1410542 0.7687523), wk = 0.0026316 k( 143) = ( 0.0407393 0.1209036 0.7687523), wk = 0.0026316 k( 144) = ( 0.0339494 0.1007530 0.7687523), wk = 0.0026316 k( 145) = ( 0.0271595 0.0806024 0.7687523), wk = 0.0026316 k( 146) = ( 0.0203696 0.0604518 0.7687523), wk = 0.0026316 k( 147) = ( 0.0135797 0.0403012 0.7687523), wk = 0.0026316 k( 148) = ( 0.0067899 0.0201506 0.7687523), wk = 0.0026316 k( 149) = ( 0.0000000 0.0000000 0.7687523), wk = 0.0026316 k( 150) = ( 0.0000000 0.0000000 0.7687523), wk = 0.0026316 k( 151) = ( 0.0000000 0.0000000 0.7473981), wk = 0.0026316 k( 152) = ( 0.0000000 0.0000000 0.7260439), wk = 0.0026316 k( 153) = ( 0.0000000 0.0000000 0.7046896), wk = 0.0026316 k( 154) = ( 0.0000000 0.0000000 0.6833354), wk = 0.0026316 k( 155) = ( 0.0000000 0.0000000 0.6619812), wk = 0.0026316 k( 156) = ( 0.0000000 0.0000000 0.6406270), wk = 0.0026316 k( 157) = ( 0.0000000 0.0000000 0.6192727), wk = 0.0026316 k( 158) = ( 0.0000000 0.0000000 0.5979185), wk = 0.0026316 k( 159) = ( 0.0000000 0.0000000 0.5765643), wk = 0.0026316 k( 160) = ( 0.0000000 0.0000000 0.5552100), wk = 0.0026316 k( 161) = ( 0.0000000 0.0000000 0.5338558), wk = 0.0026316 k( 162) = ( 0.0000000 0.0000000 0.5125016), wk = 0.0026316 k( 163) = ( 0.0000000 0.0000000 0.4911473), wk = 0.0026316 k( 164) = ( 0.0000000 0.0000000 0.4697931), wk = 0.0026316 k( 165) = ( 0.0000000 0.0000000 0.4484389), wk = 0.0026316 k( 166) = ( 0.0000000 0.0000000 0.4270846), wk = 0.0026316 k( 167) = ( 0.0000000 0.0000000 0.4057304), wk = 0.0026316 k( 168) = ( 0.0000000 0.0000000 0.3843762), wk = 0.0026316 k( 169) = ( 0.0000000 0.0000000 0.3630219), wk = 0.0026316 k( 170) = ( 0.0000000 0.0000000 0.3416677), wk = 0.0026316 k( 171) = ( 0.0000000 0.0000000 0.3203135), wk = 0.0026316 k( 172) = ( 0.0000000 0.0000000 0.2989592), wk = 0.0026316 k( 173) = ( 0.0000000 0.0000000 0.2776050), wk = 0.0026316 k( 174) = ( 0.0000000 0.0000000 0.2562508), wk = 0.0026316 k( 175) = ( 0.0000000 0.0000000 0.2348966), wk = 0.0026316 k( 176) = ( 0.0000000 0.0000000 0.2135423), wk = 0.0026316 k( 177) = ( 0.0000000 0.0000000 0.1921881), wk = 0.0026316 k( 178) = ( 0.0000000 0.0000000 0.1708339), wk = 0.0026316 k( 179) = ( 0.0000000 0.0000000 0.1494796), wk = 0.0026316 k( 180) = ( 0.0000000 0.0000000 0.1281254), wk = 0.0026316 k( 181) = ( 0.0000000 0.0000000 0.1067712), wk = 0.0026316 k( 182) = ( 0.0000000 0.0000000 0.0854169), wk = 0.0026316 k( 183) = ( 0.0000000 0.0000000 0.0640627), wk = 0.0026316 k( 184) = ( 0.0000000 0.0000000 0.0427085), wk = 0.0026316 k( 185) = ( 0.0000000 0.0000000 0.0213542), wk = 0.0026316 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 188) = ( -0.0200000 0.0067391 0.0000000), wk = 0.0026316 k( 189) = ( -0.0400000 0.0134783 0.0000000), wk = 0.0026316 k( 190) = ( -0.0600000 0.0202174 0.0000000), wk = 0.0026316 k( 191) = ( -0.0800000 0.0269565 0.0000000), wk = 0.0026316 k( 192) = ( -0.1000000 0.0336957 0.0000000), wk = 0.0026316 k( 193) = ( -0.1200000 0.0404348 0.0000000), wk = 0.0026316 k( 194) = ( -0.1400000 0.0471739 0.0000000), wk = 0.0026316 k( 195) = ( -0.1600000 0.0539130 0.0000000), wk = 0.0026316 k( 196) = ( -0.1800000 0.0606522 0.0000000), wk = 0.0026316 k( 197) = ( -0.2000000 0.0673913 0.0000000), wk = 0.0026316 k( 198) = ( -0.2200000 0.0741304 0.0000000), wk = 0.0026316 k( 199) = ( -0.2400000 0.0808696 0.0000000), wk = 0.0026316 k( 200) = ( -0.2600000 0.0876087 0.0000000), wk = 0.0026316 k( 201) = ( -0.2800000 0.0943478 0.0000000), wk = 0.0026316 k( 202) = ( -0.3000000 0.1010870 0.0000000), wk = 0.0026316 k( 203) = ( -0.3200000 0.1078261 0.0000000), wk = 0.0026316 k( 204) = ( -0.3400000 0.1145652 0.0000000), wk = 0.0026316 k( 205) = ( -0.3600000 0.1213043 0.0000000), wk = 0.0026316 k( 206) = ( -0.3800000 0.1280435 0.0000000), wk = 0.0026316 k( 207) = ( -0.4000000 0.1347826 0.0000000), wk = 0.0026316 k( 208) = ( -0.4200000 0.1415217 0.0000000), wk = 0.0026316 k( 209) = ( -0.4400000 0.1482609 0.0000000), wk = 0.0026316 k( 210) = ( -0.4600000 0.1550000 0.0000000), wk = 0.0026316 k( 211) = ( -0.4800000 0.1617391 0.0000000), wk = 0.0026316 k( 212) = ( -0.5000000 0.1684783 0.0000000), wk = 0.0026316 k( 213) = ( -0.5000000 0.1684783 0.0000000), wk = 0.0026316 k( 214) = ( -0.4932844 0.1884085 -0.0000000), wk = 0.0026316 k( 215) = ( -0.4865688 0.2083387 -0.0000000), wk = 0.0026316 k( 216) = ( -0.4798532 0.2282689 -0.0000000), wk = 0.0026316 k( 217) = ( -0.4731376 0.2481990 -0.0000000), wk = 0.0026316 k( 218) = ( -0.4664220 0.2681292 -0.0000000), wk = 0.0026316 k( 219) = ( -0.4597063 0.2880594 -0.0000000), wk = 0.0026316 k( 220) = ( -0.4529907 0.3079896 -0.0000000), wk = 0.0026316 k( 221) = ( -0.4462751 0.3279198 -0.0000000), wk = 0.0026316 k( 222) = ( -0.4395595 0.3478500 -0.0000000), wk = 0.0026316 k( 223) = ( -0.4328439 0.3677802 -0.0000000), wk = 0.0026316 k( 224) = ( -0.4261283 0.3877104 -0.0000000), wk = 0.0026316 k( 225) = ( -0.4194127 0.4076406 -0.0000000), wk = 0.0026316 k( 226) = ( -0.4126971 0.4275708 -0.0000000), wk = 0.0026316 k( 227) = ( -0.4059815 0.4475010 -0.0000000), wk = 0.0026316 k( 228) = ( -0.3992659 0.4674312 -0.0000000), wk = 0.0026316 k( 229) = ( -0.3925503 0.4873613 -0.0000000), wk = 0.0026316 k( 230) = ( -0.3858347 0.5072915 -0.0000000), wk = 0.0026316 k( 231) = ( -0.3791191 0.5272217 -0.0000000), wk = 0.0026316 k( 232) = ( -0.3724034 0.5471519 -0.0000000), wk = 0.0026316 k( 233) = ( -0.3656878 0.5670821 -0.0000000), wk = 0.0026316 k( 234) = ( -0.3589722 0.5870123 -0.0000000), wk = 0.0026316 k( 235) = ( -0.3522566 0.6069425 -0.0000000), wk = 0.0026316 k( 236) = ( -0.3455410 0.6268727 -0.0000000), wk = 0.0026316 k( 237) = ( -0.3388254 0.6468029 -0.0000000), wk = 0.0026316 k( 238) = ( -0.3321098 0.6667331 -0.0000000), wk = 0.0026316 k( 239) = ( -0.3253942 0.6866633 -0.0000000), wk = 0.0026316 k( 240) = ( -0.3186786 0.7065935 -0.0000000), wk = 0.0026316 k( 241) = ( -0.3119630 0.7265236 -0.0000000), wk = 0.0026316 k( 242) = ( -0.3052474 0.7464538 -0.0000000), wk = 0.0026316 k( 243) = ( -0.2985317 0.7663840 -0.0000000), wk = 0.0026316 k( 244) = ( -0.2918161 0.7863142 -0.0000000), wk = 0.0026316 k( 245) = ( -0.2851005 0.8062444 -0.0000000), wk = 0.0026316 k( 246) = ( -0.2783849 0.8261746 -0.0000000), wk = 0.0026316 k( 247) = ( -0.2783849 0.8261746 -0.0000000), wk = 0.0026316 k( 248) = ( -0.2783849 0.8261746 0.0213542), wk = 0.0026316 k( 249) = ( -0.2783849 0.8261746 0.0427085), wk = 0.0026316 k( 250) = ( -0.2783849 0.8261746 0.0640627), wk = 0.0026316 k( 251) = ( -0.2783849 0.8261746 0.0854169), wk = 0.0026316 k( 252) = ( -0.2783849 0.8261746 0.1067712), wk = 0.0026316 k( 253) = ( -0.2783849 0.8261746 0.1281254), wk = 0.0026316 k( 254) = ( -0.2783849 0.8261746 0.1494796), wk = 0.0026316 k( 255) = ( -0.2783849 0.8261746 0.1708339), wk = 0.0026316 k( 256) = ( -0.2783849 0.8261746 0.1921881), wk = 0.0026316 k( 257) = ( -0.2783849 0.8261746 0.2135423), wk = 0.0026316 k( 258) = ( -0.2783849 0.8261746 0.2348966), wk = 0.0026316 k( 259) = ( -0.2783849 0.8261746 0.2562508), wk = 0.0026316 k( 260) = ( -0.2783849 0.8261746 0.2776050), wk = 0.0026316 k( 261) = ( -0.2783849 0.8261746 0.2989592), wk = 0.0026316 k( 262) = ( -0.2783849 0.8261746 0.3203135), wk = 0.0026316 k( 263) = ( -0.2783849 0.8261746 0.3416677), wk = 0.0026316 k( 264) = ( -0.2783849 0.8261746 0.3630219), wk = 0.0026316 k( 265) = ( -0.2783849 0.8261746 0.3843762), wk = 0.0026316 k( 266) = ( -0.2783849 0.8261746 0.4057304), wk = 0.0026316 k( 267) = ( -0.2783849 0.8261746 0.4270846), wk = 0.0026316 k( 268) = ( -0.2783849 0.8261746 0.4484389), wk = 0.0026316 k( 269) = ( -0.2783849 0.8261746 0.4697931), wk = 0.0026316 k( 270) = ( -0.2783849 0.8261746 0.4911473), wk = 0.0026316 k( 271) = ( -0.2783849 0.8261746 0.5125016), wk = 0.0026316 k( 272) = ( -0.2783849 0.8261746 0.5338558), wk = 0.0026316 k( 273) = ( -0.2783849 0.8261746 0.5552100), wk = 0.0026316 k( 274) = ( -0.2783849 0.8261746 0.5765643), wk = 0.0026316 k( 275) = ( -0.2783849 0.8261746 0.5979185), wk = 0.0026316 k( 276) = ( -0.2783849 0.8261746 0.6192727), wk = 0.0026316 k( 277) = ( -0.2783849 0.8261746 0.6406270), wk = 0.0026316 k( 278) = ( -0.2783849 0.8261746 0.6619812), wk = 0.0026316 k( 279) = ( -0.2783849 0.8261746 0.6833354), wk = 0.0026316 k( 280) = ( -0.2783849 0.8261746 0.7046896), wk = 0.0026316 k( 281) = ( -0.2783849 0.8261746 0.7260439), wk = 0.0026316 k( 282) = ( -0.2783849 0.8261746 0.7473981), wk = 0.0026316 k( 283) = ( -0.2783849 0.8261746 0.7687523), wk = 0.0026316 k( 284) = ( -0.2783849 0.8261746 0.7687523), wk = 0.0026316 k( 285) = ( -0.2851005 0.8062444 0.7687523), wk = 0.0026316 k( 286) = ( -0.2918161 0.7863142 0.7687523), wk = 0.0026316 k( 287) = ( -0.2985317 0.7663840 0.7687523), wk = 0.0026316 k( 288) = ( -0.3052474 0.7464538 0.7687523), wk = 0.0026316 k( 289) = ( -0.3119630 0.7265236 0.7687523), wk = 0.0026316 k( 290) = ( -0.3186786 0.7065935 0.7687523), wk = 0.0026316 k( 291) = ( -0.3253942 0.6866633 0.7687523), wk = 0.0026316 k( 292) = ( -0.3321098 0.6667331 0.7687523), wk = 0.0026316 k( 293) = ( -0.3388254 0.6468029 0.7687523), wk = 0.0026316 k( 294) = ( -0.3455410 0.6268727 0.7687523), wk = 0.0026316 k( 295) = ( -0.3522566 0.6069425 0.7687523), wk = 0.0026316 k( 296) = ( -0.3589722 0.5870123 0.7687523), wk = 0.0026316 k( 297) = ( -0.3656878 0.5670821 0.7687523), wk = 0.0026316 k( 298) = ( -0.3724034 0.5471519 0.7687523), wk = 0.0026316 k( 299) = ( -0.3791191 0.5272217 0.7687523), wk = 0.0026316 k( 300) = ( -0.3858347 0.5072915 0.7687523), wk = 0.0026316 k( 301) = ( -0.3925503 0.4873613 0.7687523), wk = 0.0026316 k( 302) = ( -0.3992659 0.4674312 0.7687523), wk = 0.0026316 k( 303) = ( -0.4059815 0.4475010 0.7687523), wk = 0.0026316 k( 304) = ( -0.4126971 0.4275708 0.7687523), wk = 0.0026316 k( 305) = ( -0.4194127 0.4076406 0.7687523), wk = 0.0026316 k( 306) = ( -0.4261283 0.3877104 0.7687523), wk = 0.0026316 k( 307) = ( -0.4328439 0.3677802 0.7687523), wk = 0.0026316 k( 308) = ( -0.4395595 0.3478500 0.7687523), wk = 0.0026316 k( 309) = ( -0.4462751 0.3279198 0.7687523), wk = 0.0026316 k( 310) = ( -0.4529907 0.3079896 0.7687523), wk = 0.0026316 k( 311) = ( -0.4597063 0.2880594 0.7687523), wk = 0.0026316 k( 312) = ( -0.4664220 0.2681292 0.7687523), wk = 0.0026316 k( 313) = ( -0.4731376 0.2481990 0.7687523), wk = 0.0026316 k( 314) = ( -0.4798532 0.2282689 0.7687523), wk = 0.0026316 k( 315) = ( -0.4865688 0.2083387 0.7687523), wk = 0.0026316 k( 316) = ( -0.4932844 0.1884085 0.7687523), wk = 0.0026316 k( 317) = ( -0.5000000 0.1684783 0.7687523), wk = 0.0026316 k( 318) = ( -0.5000000 0.1684783 0.7687523), wk = 0.0026316 k( 319) = ( -0.5000000 0.1684783 0.7473981), wk = 0.0026316 k( 320) = ( -0.5000000 0.1684783 0.7260439), wk = 0.0026316 k( 321) = ( -0.5000000 0.1684783 0.7046896), wk = 0.0026316 k( 322) = ( -0.5000000 0.1684783 0.6833354), wk = 0.0026316 k( 323) = ( -0.5000000 0.1684783 0.6619812), wk = 0.0026316 k( 324) = ( -0.5000000 0.1684783 0.6406270), wk = 0.0026316 k( 325) = ( -0.5000000 0.1684783 0.6192727), wk = 0.0026316 k( 326) = ( -0.5000000 0.1684783 0.5979185), wk = 0.0026316 k( 327) = ( -0.5000000 0.1684783 0.5765643), wk = 0.0026316 k( 328) = ( -0.5000000 0.1684783 0.5552100), wk = 0.0026316 k( 329) = ( -0.5000000 0.1684783 0.5338558), wk = 0.0026316 k( 330) = ( -0.5000000 0.1684783 0.5125016), wk = 0.0026316 k( 331) = ( -0.5000000 0.1684783 0.4911473), wk = 0.0026316 k( 332) = ( -0.5000000 0.1684783 0.4697931), wk = 0.0026316 k( 333) = ( -0.5000000 0.1684783 0.4484389), wk = 0.0026316 k( 334) = ( -0.5000000 0.1684783 0.4270846), wk = 0.0026316 k( 335) = ( -0.5000000 0.1684783 0.4057304), wk = 0.0026316 k( 336) = ( -0.5000000 0.1684783 0.3843762), wk = 0.0026316 k( 337) = ( -0.5000000 0.1684783 0.3630219), wk = 0.0026316 k( 338) = ( -0.5000000 0.1684783 0.3416677), wk = 0.0026316 k( 339) = ( -0.5000000 0.1684783 0.3203135), wk = 0.0026316 k( 340) = ( -0.5000000 0.1684783 0.2989592), wk = 0.0026316 k( 341) = ( -0.5000000 0.1684783 0.2776050), wk = 0.0026316 k( 342) = ( -0.5000000 0.1684783 0.2562508), wk = 0.0026316 k( 343) = ( -0.5000000 0.1684783 0.2348966), wk = 0.0026316 k( 344) = ( -0.5000000 0.1684783 0.2135423), wk = 0.0026316 k( 345) = ( -0.5000000 0.1684783 0.1921881), wk = 0.0026316 k( 346) = ( -0.5000000 0.1684783 0.1708339), wk = 0.0026316 k( 347) = ( -0.5000000 0.1684783 0.1494796), wk = 0.0026316 k( 348) = ( -0.5000000 0.1684783 0.1281254), wk = 0.0026316 k( 349) = ( -0.5000000 0.1684783 0.1067712), wk = 0.0026316 k( 350) = ( -0.5000000 0.1684783 0.0854169), wk = 0.0026316 k( 351) = ( -0.5000000 0.1684783 0.0640627), wk = 0.0026316 k( 352) = ( -0.5000000 0.1684783 0.0427085), wk = 0.0026316 k( 353) = ( -0.5000000 0.1684783 0.0213542), wk = 0.0026316 k( 354) = ( -0.5000000 0.1684783 0.0000000), wk = 0.0026316 k( 355) = ( 0.0000000 0.0000000 0.7687523), wk = 0.0026316 k( 356) = ( -0.0200000 0.0067391 0.7687523), wk = 0.0026316 k( 357) = ( -0.0400000 0.0134783 0.7687523), wk = 0.0026316 k( 358) = ( -0.0600000 0.0202174 0.7687523), wk = 0.0026316 k( 359) = ( -0.0800000 0.0269565 0.7687523), wk = 0.0026316 k( 360) = ( -0.1000000 0.0336957 0.7687523), wk = 0.0026316 k( 361) = ( -0.1200000 0.0404348 0.7687523), wk = 0.0026316 k( 362) = ( -0.1400000 0.0471739 0.7687523), wk = 0.0026316 k( 363) = ( -0.1600000 0.0539130 0.7687523), wk = 0.0026316 k( 364) = ( -0.1800000 0.0606522 0.7687523), wk = 0.0026316 k( 365) = ( -0.2000000 0.0673913 0.7687523), wk = 0.0026316 k( 366) = ( -0.2200000 0.0741304 0.7687523), wk = 0.0026316 k( 367) = ( -0.2400000 0.0808696 0.7687523), wk = 0.0026316 k( 368) = ( -0.2600000 0.0876087 0.7687523), wk = 0.0026316 k( 369) = ( -0.2800000 0.0943478 0.7687523), wk = 0.0026316 k( 370) = ( -0.3000000 0.1010870 0.7687523), wk = 0.0026316 k( 371) = ( -0.3200000 0.1078261 0.7687523), wk = 0.0026316 k( 372) = ( -0.3400000 0.1145652 0.7687523), wk = 0.0026316 k( 373) = ( -0.3600000 0.1213043 0.7687523), wk = 0.0026316 k( 374) = ( -0.3800000 0.1280435 0.7687523), wk = 0.0026316 k( 375) = ( -0.4000000 0.1347826 0.7687523), wk = 0.0026316 k( 376) = ( -0.4200000 0.1415217 0.7687523), wk = 0.0026316 k( 377) = ( -0.4400000 0.1482609 0.7687523), wk = 0.0026316 k( 378) = ( -0.4600000 0.1550000 0.7687523), wk = 0.0026316 k( 379) = ( -0.4800000 0.1617391 0.7687523), wk = 0.0026316 k( 380) = ( -0.5000000 0.1684783 0.7687523), wk = 0.0026316 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 2) = ( 0.0067899 0.0067899 -0.0000000), wk = 0.0026316 k( 3) = ( 0.0135797 0.0135798 0.0000000), wk = 0.0026316 k( 4) = ( 0.0203696 0.0203696 0.0000000), wk = 0.0026316 k( 5) = ( 0.0271595 0.0271595 0.0000000), wk = 0.0026316 k( 6) = ( 0.0339494 0.0339494 -0.0000000), wk = 0.0026316 k( 7) = ( 0.0407393 0.0407393 0.0000000), wk = 0.0026316 k( 8) = ( 0.0475291 0.0475291 -0.0000000), wk = 0.0026316 k( 9) = ( 0.0543190 0.0543190 0.0000000), wk = 0.0026316 k( 10) = ( 0.0611089 0.0611089 -0.0000000), wk = 0.0026316 k( 11) = ( 0.0678988 0.0678988 -0.0000000), wk = 0.0026316 k( 12) = ( 0.0746886 0.0746886 0.0000000), wk = 0.0026316 k( 13) = ( 0.0814785 0.0814785 -0.0000000), wk = 0.0026316 k( 14) = ( 0.0882684 0.0882684 -0.0000000), wk = 0.0026316 k( 15) = ( 0.0950583 0.0950583 0.0000000), wk = 0.0026316 k( 16) = ( 0.1018481 0.1018481 -0.0000000), wk = 0.0026316 k( 17) = ( 0.1086380 0.1086380 0.0000000), wk = 0.0026316 k( 18) = ( 0.1154279 0.1154279 -0.0000000), wk = 0.0026316 k( 19) = ( 0.1222178 0.1222178 -0.0000000), wk = 0.0026316 k( 20) = ( 0.1290077 0.1290077 0.0000000), wk = 0.0026316 k( 21) = ( 0.1357975 0.1357975 -0.0000000), wk = 0.0026316 k( 22) = ( 0.1425874 0.1425874 0.0000000), wk = 0.0026316 k( 23) = ( 0.1493773 0.1493773 0.0000000), wk = 0.0026316 k( 24) = ( 0.1561672 0.1561672 0.0000000), wk = 0.0026316 k( 25) = ( 0.1629570 0.1629570 -0.0000000), wk = 0.0026316 k( 26) = ( 0.1697469 0.1697469 0.0000000), wk = 0.0026316 k( 27) = ( 0.1765368 0.1765368 -0.0000000), wk = 0.0026316 k( 28) = ( 0.1833267 0.1833267 -0.0000000), wk = 0.0026316 k( 29) = ( 0.1901165 0.1901165 0.0000000), wk = 0.0026316 k( 30) = ( 0.1969064 0.1969064 -0.0000000), wk = 0.0026316 k( 31) = ( 0.2036963 0.2036963 0.0000000), wk = 0.0026316 k( 32) = ( 0.2104862 0.2104862 -0.0000000), wk = 0.0026316 k( 33) = ( 0.2172760 0.2172760 0.0000000), wk = 0.0026316 k( 34) = ( 0.2240659 0.2240659 -0.0000000), wk = 0.0026316 k( 35) = ( 0.2308558 0.2308558 -0.0000000), wk = 0.0026316 k( 36) = ( 0.2376457 0.2376457 0.0000000), wk = 0.0026316 k( 37) = ( 0.2444355 0.2444355 -0.0000000), wk = 0.0026316 k( 38) = ( 0.2512254 0.2512254 0.0000000), wk = 0.0026316 k( 39) = ( 0.2580153 0.2580153 0.0000000), wk = 0.0026316 k( 40) = ( 0.2648052 0.2648052 -0.0000000), wk = 0.0026316 k( 41) = ( 0.2715951 0.2715951 -0.0000000), wk = 0.0026316 k( 42) = ( 0.2783849 0.2783849 0.0000000), wk = 0.0026316 k( 43) = ( 0.2783849 0.2783849 0.0000000), wk = 0.0026316 k( 44) = ( 0.2569707 0.2954322 -0.0000000), wk = 0.0026316 k( 45) = ( 0.2355565 0.3124795 -0.0000000), wk = 0.0026316 k( 46) = ( 0.2141423 0.3295269 0.0000000), wk = 0.0026316 k( 47) = ( 0.1927280 0.3465742 -0.0000000), wk = 0.0026316 k( 48) = ( 0.1713138 0.3636215 0.0000000), wk = 0.0026316 k( 49) = ( 0.1498996 0.3806688 0.0000000), wk = 0.0026316 k( 50) = ( 0.1284853 0.3977161 0.0000000), wk = 0.0026316 k( 51) = ( 0.1070711 0.4147634 -0.0000000), wk = 0.0026316 k( 52) = ( 0.0856569 0.4318107 -0.0000000), wk = 0.0026316 k( 53) = ( 0.0642427 0.4488581 -0.0000000), wk = 0.0026316 k( 54) = ( 0.0428284 0.4659054 -0.0000000), wk = 0.0026316 k( 55) = ( 0.0214142 0.4829527 0.0000000), wk = 0.0026316 k( 56) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026316 k( 57) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026316 k( 58) = ( 0.0000000 0.5000000 0.0138889), wk = 0.0026316 k( 59) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0026316 k( 60) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0026316 k( 61) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0026316 k( 62) = ( 0.0000000 0.5000000 0.0694444), wk = 0.0026316 k( 63) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0026316 k( 64) = ( 0.0000000 0.5000000 0.0972222), wk = 0.0026316 k( 65) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0026316 k( 66) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0026316 k( 67) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0026316 k( 68) = ( 0.0000000 0.5000000 0.1527778), wk = 0.0026316 k( 69) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026316 k( 70) = ( 0.0000000 0.5000000 0.1805556), wk = 0.0026316 k( 71) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0026316 k( 72) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0026316 k( 73) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0026316 k( 74) = ( 0.0000000 0.5000000 0.2361111), wk = 0.0026316 k( 75) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0026316 k( 76) = ( 0.0000000 0.5000000 0.2638889), wk = 0.0026316 k( 77) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0026316 k( 78) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0026316 k( 79) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0026316 k( 80) = ( 0.0000000 0.5000000 0.3194444), wk = 0.0026316 k( 81) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026316 k( 82) = ( 0.0000000 0.5000000 0.3472222), wk = 0.0026316 k( 83) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0026316 k( 84) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0026316 k( 85) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0026316 k( 86) = ( 0.0000000 0.5000000 0.4027778), wk = 0.0026316 k( 87) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0026316 k( 88) = ( 0.0000000 0.5000000 0.4305556), wk = 0.0026316 k( 89) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0026316 k( 90) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0026316 k( 91) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0026316 k( 92) = ( 0.0000000 0.5000000 0.4861111), wk = 0.0026316 k( 93) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026316 k( 94) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026316 k( 95) = ( 0.0214142 0.4829527 0.5000000), wk = 0.0026316 k( 96) = ( 0.0428284 0.4659054 0.5000000), wk = 0.0026316 k( 97) = ( 0.0642427 0.4488581 0.5000000), wk = 0.0026316 k( 98) = ( 0.0856569 0.4318107 0.5000000), wk = 0.0026316 k( 99) = ( 0.1070711 0.4147634 0.5000000), wk = 0.0026316 k( 100) = ( 0.1284853 0.3977161 0.5000000), wk = 0.0026316 k( 101) = ( 0.1498996 0.3806688 0.5000000), wk = 0.0026316 k( 102) = ( 0.1713138 0.3636215 0.5000000), wk = 0.0026316 k( 103) = ( 0.1927280 0.3465742 0.5000000), wk = 0.0026316 k( 104) = ( 0.2141423 0.3295269 0.5000000), wk = 0.0026316 k( 105) = ( 0.2355565 0.3124795 0.5000000), wk = 0.0026316 k( 106) = ( 0.2569707 0.2954322 0.5000000), wk = 0.0026316 k( 107) = ( 0.2783849 0.2783849 0.5000000), wk = 0.0026316 k( 108) = ( 0.2783849 0.2783849 0.5000000), wk = 0.0026316 k( 109) = ( 0.2715951 0.2715951 0.5000000), wk = 0.0026316 k( 110) = ( 0.2648052 0.2648052 0.5000000), wk = 0.0026316 k( 111) = ( 0.2580153 0.2580153 0.5000000), wk = 0.0026316 k( 112) = ( 0.2512254 0.2512254 0.5000000), wk = 0.0026316 k( 113) = ( 0.2444355 0.2444355 0.5000000), wk = 0.0026316 k( 114) = ( 0.2376457 0.2376457 0.5000000), wk = 0.0026316 k( 115) = ( 0.2308558 0.2308558 0.5000000), wk = 0.0026316 k( 116) = ( 0.2240659 0.2240659 0.5000000), wk = 0.0026316 k( 117) = ( 0.2172760 0.2172760 0.5000000), wk = 0.0026316 k( 118) = ( 0.2104862 0.2104862 0.5000000), wk = 0.0026316 k( 119) = ( 0.2036963 0.2036963 0.5000000), wk = 0.0026316 k( 120) = ( 0.1969064 0.1969064 0.5000000), wk = 0.0026316 k( 121) = ( 0.1901165 0.1901165 0.5000000), wk = 0.0026316 k( 122) = ( 0.1833267 0.1833267 0.5000000), wk = 0.0026316 k( 123) = ( 0.1765368 0.1765368 0.5000000), wk = 0.0026316 k( 124) = ( 0.1697469 0.1697469 0.5000000), wk = 0.0026316 k( 125) = ( 0.1629570 0.1629570 0.5000000), wk = 0.0026316 k( 126) = ( 0.1561672 0.1561672 0.5000000), wk = 0.0026316 k( 127) = ( 0.1493773 0.1493773 0.5000000), wk = 0.0026316 k( 128) = ( 0.1425874 0.1425874 0.5000000), wk = 0.0026316 k( 129) = ( 0.1357975 0.1357975 0.5000000), wk = 0.0026316 k( 130) = ( 0.1290077 0.1290077 0.5000000), wk = 0.0026316 k( 131) = ( 0.1222178 0.1222178 0.5000000), wk = 0.0026316 k( 132) = ( 0.1154279 0.1154279 0.5000000), wk = 0.0026316 k( 133) = ( 0.1086380 0.1086380 0.5000000), wk = 0.0026316 k( 134) = ( 0.1018481 0.1018481 0.5000000), wk = 0.0026316 k( 135) = ( 0.0950583 0.0950583 0.5000000), wk = 0.0026316 k( 136) = ( 0.0882684 0.0882684 0.5000000), wk = 0.0026316 k( 137) = ( 0.0814785 0.0814785 0.5000000), wk = 0.0026316 k( 138) = ( 0.0746886 0.0746886 0.5000000), wk = 0.0026316 k( 139) = ( 0.0678988 0.0678988 0.5000000), wk = 0.0026316 k( 140) = ( 0.0611089 0.0611089 0.5000000), wk = 0.0026316 k( 141) = ( 0.0543190 0.0543190 0.5000000), wk = 0.0026316 k( 142) = ( 0.0475291 0.0475291 0.5000000), wk = 0.0026316 k( 143) = ( 0.0407393 0.0407393 0.5000000), wk = 0.0026316 k( 144) = ( 0.0339494 0.0339494 0.5000000), wk = 0.0026316 k( 145) = ( 0.0271595 0.0271595 0.5000000), wk = 0.0026316 k( 146) = ( 0.0203696 0.0203696 0.5000000), wk = 0.0026316 k( 147) = ( 0.0135797 0.0135798 0.5000000), wk = 0.0026316 k( 148) = ( 0.0067899 0.0067899 0.5000000), wk = 0.0026316 k( 149) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026316 k( 150) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026316 k( 151) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0026316 k( 152) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0026316 k( 153) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0026316 k( 154) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0026316 k( 155) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0026316 k( 156) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0026316 k( 157) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0026316 k( 158) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0026316 k( 159) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0026316 k( 160) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0026316 k( 161) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0026316 k( 162) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026316 k( 163) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0026316 k( 164) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0026316 k( 165) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0026316 k( 166) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0026316 k( 167) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0026316 k( 168) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026316 k( 169) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0026316 k( 170) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0026316 k( 171) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0026316 k( 172) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0026316 k( 173) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0026316 k( 174) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026316 k( 175) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0026316 k( 176) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0026316 k( 177) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0026316 k( 178) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0026316 k( 179) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0026316 k( 180) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0026316 k( 181) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0026316 k( 182) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0026316 k( 183) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0026316 k( 184) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0026316 k( 185) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0026316 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 188) = ( -0.0200000 0.0200000 -0.0000000), wk = 0.0026316 k( 189) = ( -0.0400000 0.0400000 -0.0000000), wk = 0.0026316 k( 190) = ( -0.0600000 0.0600000 0.0000000), wk = 0.0026316 k( 191) = ( -0.0800000 0.0800000 -0.0000000), wk = 0.0026316 k( 192) = ( -0.1000000 0.1000000 0.0000000), wk = 0.0026316 k( 193) = ( -0.1200000 0.1200000 0.0000000), wk = 0.0026316 k( 194) = ( -0.1400000 0.1400000 0.0000000), wk = 0.0026316 k( 195) = ( -0.1600000 0.1600000 -0.0000000), wk = 0.0026316 k( 196) = ( -0.1800000 0.1800000 0.0000000), wk = 0.0026316 k( 197) = ( -0.2000000 0.2000000 0.0000000), wk = 0.0026316 k( 198) = ( -0.2200000 0.2200000 0.0000000), wk = 0.0026316 k( 199) = ( -0.2400000 0.2400000 0.0000000), wk = 0.0026316 k( 200) = ( -0.2600000 0.2600000 -0.0000000), wk = 0.0026316 k( 201) = ( -0.2800000 0.2800000 0.0000000), wk = 0.0026316 k( 202) = ( -0.3000000 0.3000000 0.0000000), wk = 0.0026316 k( 203) = ( -0.3200000 0.3200000 -0.0000000), wk = 0.0026316 k( 204) = ( -0.3400000 0.3400000 -0.0000000), wk = 0.0026316 k( 205) = ( -0.3600000 0.3600000 0.0000000), wk = 0.0026316 k( 206) = ( -0.3800000 0.3800000 -0.0000000), wk = 0.0026316 k( 207) = ( -0.4000000 0.4000000 0.0000000), wk = 0.0026316 k( 208) = ( -0.4200000 0.4200000 -0.0000000), wk = 0.0026316 k( 209) = ( -0.4400000 0.4400000 0.0000000), wk = 0.0026316 k( 210) = ( -0.4600000 0.4600000 0.0000000), wk = 0.0026316 k( 211) = ( -0.4800000 0.4800000 0.0000000), wk = 0.0026316 k( 212) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026316 k( 213) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026316 k( 214) = ( -0.4932844 0.5067156 -0.0000000), wk = 0.0026316 k( 215) = ( -0.4865688 0.5134312 0.0000000), wk = 0.0026316 k( 216) = ( -0.4798532 0.5201468 0.0000000), wk = 0.0026316 k( 217) = ( -0.4731376 0.5268624 -0.0000000), wk = 0.0026316 k( 218) = ( -0.4664220 0.5335780 0.0000000), wk = 0.0026316 k( 219) = ( -0.4597063 0.5402936 0.0000000), wk = 0.0026316 k( 220) = ( -0.4529907 0.5470093 0.0000000), wk = 0.0026316 k( 221) = ( -0.4462751 0.5537249 -0.0000000), wk = 0.0026316 k( 222) = ( -0.4395595 0.5604405 -0.0000000), wk = 0.0026316 k( 223) = ( -0.4328439 0.5671561 0.0000000), wk = 0.0026316 k( 224) = ( -0.4261283 0.5738717 0.0000000), wk = 0.0026316 k( 225) = ( -0.4194127 0.5805873 0.0000000), wk = 0.0026316 k( 226) = ( -0.4126971 0.5873029 0.0000000), wk = 0.0026316 k( 227) = ( -0.4059815 0.5940185 0.0000000), wk = 0.0026316 k( 228) = ( -0.3992659 0.6007341 -0.0000000), wk = 0.0026316 k( 229) = ( -0.3925503 0.6074497 -0.0000000), wk = 0.0026316 k( 230) = ( -0.3858347 0.6141653 -0.0000000), wk = 0.0026316 k( 231) = ( -0.3791191 0.6208809 -0.0000000), wk = 0.0026316 k( 232) = ( -0.3724034 0.6275966 0.0000000), wk = 0.0026316 k( 233) = ( -0.3656878 0.6343122 0.0000000), wk = 0.0026316 k( 234) = ( -0.3589722 0.6410278 -0.0000000), wk = 0.0026316 k( 235) = ( -0.3522566 0.6477434 0.0000000), wk = 0.0026316 k( 236) = ( -0.3455410 0.6544590 -0.0000000), wk = 0.0026316 k( 237) = ( -0.3388254 0.6611746 -0.0000000), wk = 0.0026316 k( 238) = ( -0.3321098 0.6678902 -0.0000000), wk = 0.0026316 k( 239) = ( -0.3253942 0.6746058 0.0000000), wk = 0.0026316 k( 240) = ( -0.3186786 0.6813214 0.0000000), wk = 0.0026316 k( 241) = ( -0.3119630 0.6880370 -0.0000000), wk = 0.0026316 k( 242) = ( -0.3052474 0.6947526 0.0000000), wk = 0.0026316 k( 243) = ( -0.2985317 0.7014683 -0.0000000), wk = 0.0026316 k( 244) = ( -0.2918161 0.7081839 0.0000000), wk = 0.0026316 k( 245) = ( -0.2851005 0.7148995 -0.0000000), wk = 0.0026316 k( 246) = ( -0.2783849 0.7216151 0.0000000), wk = 0.0026316 k( 247) = ( -0.2783849 0.7216151 0.0000000), wk = 0.0026316 k( 248) = ( -0.2783849 0.7216151 0.0138889), wk = 0.0026316 k( 249) = ( -0.2783849 0.7216151 0.0277778), wk = 0.0026316 k( 250) = ( -0.2783849 0.7216151 0.0416667), wk = 0.0026316 k( 251) = ( -0.2783849 0.7216151 0.0555556), wk = 0.0026316 k( 252) = ( -0.2783849 0.7216151 0.0694444), wk = 0.0026316 k( 253) = ( -0.2783849 0.7216151 0.0833333), wk = 0.0026316 k( 254) = ( -0.2783849 0.7216151 0.0972222), wk = 0.0026316 k( 255) = ( -0.2783849 0.7216151 0.1111111), wk = 0.0026316 k( 256) = ( -0.2783849 0.7216151 0.1250000), wk = 0.0026316 k( 257) = ( -0.2783849 0.7216151 0.1388889), wk = 0.0026316 k( 258) = ( -0.2783849 0.7216151 0.1527778), wk = 0.0026316 k( 259) = ( -0.2783849 0.7216151 0.1666667), wk = 0.0026316 k( 260) = ( -0.2783849 0.7216151 0.1805556), wk = 0.0026316 k( 261) = ( -0.2783849 0.7216151 0.1944444), wk = 0.0026316 k( 262) = ( -0.2783849 0.7216151 0.2083333), wk = 0.0026316 k( 263) = ( -0.2783849 0.7216151 0.2222222), wk = 0.0026316 k( 264) = ( -0.2783849 0.7216151 0.2361111), wk = 0.0026316 k( 265) = ( -0.2783849 0.7216151 0.2500000), wk = 0.0026316 k( 266) = ( -0.2783849 0.7216151 0.2638889), wk = 0.0026316 k( 267) = ( -0.2783849 0.7216151 0.2777778), wk = 0.0026316 k( 268) = ( -0.2783849 0.7216151 0.2916667), wk = 0.0026316 k( 269) = ( -0.2783849 0.7216151 0.3055556), wk = 0.0026316 k( 270) = ( -0.2783849 0.7216151 0.3194444), wk = 0.0026316 k( 271) = ( -0.2783849 0.7216151 0.3333333), wk = 0.0026316 k( 272) = ( -0.2783849 0.7216151 0.3472222), wk = 0.0026316 k( 273) = ( -0.2783849 0.7216151 0.3611111), wk = 0.0026316 k( 274) = ( -0.2783849 0.7216151 0.3750000), wk = 0.0026316 k( 275) = ( -0.2783849 0.7216151 0.3888889), wk = 0.0026316 k( 276) = ( -0.2783849 0.7216151 0.4027778), wk = 0.0026316 k( 277) = ( -0.2783849 0.7216151 0.4166667), wk = 0.0026316 k( 278) = ( -0.2783849 0.7216151 0.4305556), wk = 0.0026316 k( 279) = ( -0.2783849 0.7216151 0.4444444), wk = 0.0026316 k( 280) = ( -0.2783849 0.7216151 0.4583333), wk = 0.0026316 k( 281) = ( -0.2783849 0.7216151 0.4722222), wk = 0.0026316 k( 282) = ( -0.2783849 0.7216151 0.4861111), wk = 0.0026316 k( 283) = ( -0.2783849 0.7216151 0.5000000), wk = 0.0026316 k( 284) = ( -0.2783849 0.7216151 0.5000000), wk = 0.0026316 k( 285) = ( -0.2851005 0.7148995 0.5000000), wk = 0.0026316 k( 286) = ( -0.2918161 0.7081839 0.5000000), wk = 0.0026316 k( 287) = ( -0.2985317 0.7014683 0.5000000), wk = 0.0026316 k( 288) = ( -0.3052474 0.6947526 0.5000000), wk = 0.0026316 k( 289) = ( -0.3119630 0.6880370 0.5000000), wk = 0.0026316 k( 290) = ( -0.3186786 0.6813214 0.5000000), wk = 0.0026316 k( 291) = ( -0.3253942 0.6746058 0.5000000), wk = 0.0026316 k( 292) = ( -0.3321098 0.6678902 0.5000000), wk = 0.0026316 k( 293) = ( -0.3388254 0.6611746 0.5000000), wk = 0.0026316 k( 294) = ( -0.3455410 0.6544590 0.5000000), wk = 0.0026316 k( 295) = ( -0.3522566 0.6477434 0.5000000), wk = 0.0026316 k( 296) = ( -0.3589722 0.6410278 0.5000000), wk = 0.0026316 k( 297) = ( -0.3656878 0.6343122 0.5000000), wk = 0.0026316 k( 298) = ( -0.3724034 0.6275966 0.5000000), wk = 0.0026316 k( 299) = ( -0.3791191 0.6208809 0.5000000), wk = 0.0026316 k( 300) = ( -0.3858347 0.6141653 0.5000000), wk = 0.0026316 k( 301) = ( -0.3925503 0.6074497 0.5000000), wk = 0.0026316 k( 302) = ( -0.3992659 0.6007341 0.5000000), wk = 0.0026316 k( 303) = ( -0.4059815 0.5940185 0.5000000), wk = 0.0026316 k( 304) = ( -0.4126971 0.5873029 0.5000000), wk = 0.0026316 k( 305) = ( -0.4194127 0.5805873 0.5000000), wk = 0.0026316 k( 306) = ( -0.4261283 0.5738717 0.5000000), wk = 0.0026316 k( 307) = ( -0.4328439 0.5671561 0.5000000), wk = 0.0026316 k( 308) = ( -0.4395595 0.5604405 0.5000000), wk = 0.0026316 k( 309) = ( -0.4462751 0.5537249 0.5000000), wk = 0.0026316 k( 310) = ( -0.4529907 0.5470093 0.5000000), wk = 0.0026316 k( 311) = ( -0.4597063 0.5402936 0.5000000), wk = 0.0026316 k( 312) = ( -0.4664220 0.5335780 0.5000000), wk = 0.0026316 k( 313) = ( -0.4731376 0.5268624 0.5000000), wk = 0.0026316 k( 314) = ( -0.4798532 0.5201468 0.5000000), wk = 0.0026316 k( 315) = ( -0.4865688 0.5134312 0.5000000), wk = 0.0026316 k( 316) = ( -0.4932844 0.5067156 0.5000000), wk = 0.0026316 k( 317) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026316 k( 318) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026316 k( 319) = ( -0.5000000 0.5000000 0.4861111), wk = 0.0026316 k( 320) = ( -0.5000000 0.5000000 0.4722222), wk = 0.0026316 k( 321) = ( -0.5000000 0.5000000 0.4583333), wk = 0.0026316 k( 322) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0026316 k( 323) = ( -0.5000000 0.5000000 0.4305556), wk = 0.0026316 k( 324) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0026316 k( 325) = ( -0.5000000 0.5000000 0.4027778), wk = 0.0026316 k( 326) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0026316 k( 327) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0026316 k( 328) = ( -0.5000000 0.5000000 0.3611111), wk = 0.0026316 k( 329) = ( -0.5000000 0.5000000 0.3472222), wk = 0.0026316 k( 330) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0026316 k( 331) = ( -0.5000000 0.5000000 0.3194444), wk = 0.0026316 k( 332) = ( -0.5000000 0.5000000 0.3055556), wk = 0.0026316 k( 333) = ( -0.5000000 0.5000000 0.2916667), wk = 0.0026316 k( 334) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0026316 k( 335) = ( -0.5000000 0.5000000 0.2638889), wk = 0.0026316 k( 336) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0026316 k( 337) = ( -0.5000000 0.5000000 0.2361111), wk = 0.0026316 k( 338) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0026316 k( 339) = ( -0.5000000 0.5000000 0.2083333), wk = 0.0026316 k( 340) = ( -0.5000000 0.5000000 0.1944444), wk = 0.0026316 k( 341) = ( -0.5000000 0.5000000 0.1805556), wk = 0.0026316 k( 342) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0026316 k( 343) = ( -0.5000000 0.5000000 0.1527778), wk = 0.0026316 k( 344) = ( -0.5000000 0.5000000 0.1388889), wk = 0.0026316 k( 345) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0026316 k( 346) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0026316 k( 347) = ( -0.5000000 0.5000000 0.0972222), wk = 0.0026316 k( 348) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0026316 k( 349) = ( -0.5000000 0.5000000 0.0694444), wk = 0.0026316 k( 350) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0026316 k( 351) = ( -0.5000000 0.5000000 0.0416667), wk = 0.0026316 k( 352) = ( -0.5000000 0.5000000 0.0277778), wk = 0.0026316 k( 353) = ( -0.5000000 0.5000000 0.0138889), wk = 0.0026316 k( 354) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026316 k( 355) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026316 k( 356) = ( -0.0200000 0.0200000 0.5000000), wk = 0.0026316 k( 357) = ( -0.0400000 0.0400000 0.5000000), wk = 0.0026316 k( 358) = ( -0.0600000 0.0600000 0.5000000), wk = 0.0026316 k( 359) = ( -0.0800000 0.0800000 0.5000000), wk = 0.0026316 k( 360) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0026316 k( 361) = ( -0.1200000 0.1200000 0.5000000), wk = 0.0026316 k( 362) = ( -0.1400000 0.1400000 0.5000000), wk = 0.0026316 k( 363) = ( -0.1600000 0.1600000 0.5000000), wk = 0.0026316 k( 364) = ( -0.1800000 0.1800000 0.5000000), wk = 0.0026316 k( 365) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0026316 k( 366) = ( -0.2200000 0.2200000 0.5000000), wk = 0.0026316 k( 367) = ( -0.2400000 0.2400000 0.5000000), wk = 0.0026316 k( 368) = ( -0.2600000 0.2600000 0.5000000), wk = 0.0026316 k( 369) = ( -0.2800000 0.2800000 0.5000000), wk = 0.0026316 k( 370) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0026316 k( 371) = ( -0.3200000 0.3200000 0.5000000), wk = 0.0026316 k( 372) = ( -0.3400000 0.3400000 0.5000000), wk = 0.0026316 k( 373) = ( -0.3600000 0.3600000 0.5000000), wk = 0.0026316 k( 374) = ( -0.3800000 0.3800000 0.5000000), wk = 0.0026316 k( 375) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0026316 k( 376) = ( -0.4200000 0.4200000 0.5000000), wk = 0.0026316 k( 377) = ( -0.4400000 0.4400000 0.5000000), wk = 0.0026316 k( 378) = ( -0.4600000 0.4600000 0.5000000), wk = 0.0026316 k( 379) = ( -0.4800000 0.4800000 0.5000000), wk = 0.0026316 k( 380) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026316 Dense grid: 43465 G-vectors FFT dimensions: ( 60, 60, 40) Smooth grid: 36265 G-vectors FFT dimensions: ( 60, 60, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 256, 48) NL pseudopotentials 0.27 Mb ( 128, 136) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1209) G-vector shells 0.00 Mb ( 613) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 256, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.20 Mb ( 136, 2, 48) The potential is recalculated from file : ./PbS.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.7 secs Computing kpt #: 8 total cpu time spent up to now is 7.3 secs Computing kpt #: 9 total cpu time spent up to now is 8.0 secs Computing kpt #: 10 total cpu time spent up to now is 8.6 secs Computing kpt #: 11 total cpu time spent up to now is 9.3 secs Computing kpt #: 12 total cpu time spent up to now is 9.9 secs Computing kpt #: 13 total cpu time spent up to now is 10.5 secs Computing kpt #: 14 total cpu time spent up to now is 11.1 secs Computing kpt #: 15 total cpu time spent up to now is 11.7 secs Computing kpt #: 16 total cpu time spent up to now is 12.3 secs Computing kpt #: 17 total cpu time spent up to now is 12.8 secs Computing kpt #: 18 total cpu time spent up to now is 13.3 secs Computing kpt #: 19 total cpu time spent up to now is 13.8 secs Computing kpt #: 20 total cpu time spent up to now is 14.2 secs Computing kpt #: 21 total cpu time spent up to now is 14.7 secs Computing kpt #: 22 total cpu time spent up to now is 15.2 secs Computing kpt #: 23 total cpu time spent up to now is 15.7 secs Computing kpt #: 24 total cpu time spent up to now is 16.2 secs Computing kpt #: 25 total cpu time spent up to now is 16.6 secs Computing kpt #: 26 total cpu time spent up to now is 17.1 secs Computing kpt #: 27 total cpu time spent up to now is 17.6 secs Computing kpt #: 28 total cpu time spent up to now is 18.1 secs Computing kpt #: 29 total cpu time spent up to now is 18.6 secs Computing kpt #: 30 total cpu time spent up to now is 19.0 secs Computing kpt #: 31 total cpu time spent up to now is 19.5 secs Computing kpt #: 32 total cpu time spent up to now is 20.0 secs Computing kpt #: 33 total cpu time spent up to now is 20.5 secs Computing kpt #: 34 total cpu time spent up to now is 20.9 secs Computing kpt #: 35 total cpu time spent up to now is 21.4 secs Computing kpt #: 36 total cpu time spent up to now is 21.9 secs Computing kpt #: 37 total cpu time spent up to now is 22.4 secs Computing kpt #: 38 total cpu time spent up to now is 22.8 secs Computing kpt #: 39 total cpu time spent up to now is 23.3 secs Computing kpt #: 40 total cpu time spent up to now is 23.8 secs Computing kpt #: 41 total cpu time spent up to now is 24.3 secs Computing kpt #: 42 total cpu time spent up to now is 24.8 secs Computing kpt #: 43 total cpu time spent up to now is 25.3 secs Computing kpt #: 44 total cpu time spent up to now is 25.8 secs Computing kpt #: 45 total cpu time spent up to now is 26.2 secs Computing kpt #: 46 total cpu time spent up to now is 26.7 secs Computing kpt #: 47 total cpu time spent up to now is 27.2 secs Computing kpt #: 48 total cpu time spent up to now is 27.7 secs Computing kpt #: 49 total cpu time spent up to now is 28.2 secs Computing kpt #: 50 total cpu time spent up to now is 28.7 secs Computing kpt #: 51 total cpu time spent up to now is 29.2 secs Computing kpt #: 52 total cpu time spent up to now is 29.7 secs Computing kpt #: 53 total cpu time spent up to now is 30.2 secs Computing kpt #: 54 total cpu time spent up to now is 30.7 secs Computing kpt #: 55 total cpu time spent up to now is 31.3 secs Computing kpt #: 56 total cpu time spent up to now is 31.7 secs Computing kpt #: 57 total cpu time spent up to now is 32.2 secs Computing kpt #: 58 total cpu time spent up to now is 32.8 secs Computing kpt #: 59 total cpu time spent up to now is 33.3 secs Computing kpt #: 60 total cpu time spent up to now is 33.8 secs Computing kpt #: 61 total cpu time spent up to now is 34.3 secs Computing kpt #: 62 total cpu time spent up to now is 34.8 secs Computing kpt #: 63 total cpu time spent up to now is 35.8 secs Computing kpt #: 64 total cpu time spent up to now is 36.3 secs Computing kpt #: 65 total cpu time spent up to now is 36.8 secs Computing kpt #: 66 total cpu time spent up to now is 37.3 secs Computing kpt #: 67 total cpu time spent up to now is 37.8 secs Computing kpt #: 68 total cpu time spent up to now is 38.3 secs Computing kpt #: 69 total cpu time spent up to now is 38.8 secs Computing kpt #: 70 total cpu time spent up to now is 39.3 secs Computing kpt #: 71 total cpu time spent up to now is 39.8 secs Computing kpt #: 72 total cpu time spent up to now is 40.3 secs Computing kpt #: 73 total cpu time spent up to now is 40.8 secs Computing kpt #: 74 total cpu time spent up to now is 41.3 secs Computing kpt #: 75 total cpu time spent up to now is 41.8 secs Computing kpt #: 76 total cpu time spent up to now is 42.3 secs Computing kpt #: 77 total cpu time spent up to now is 42.8 secs Computing kpt #: 78 total cpu time spent up to now is 43.3 secs Computing kpt #: 79 total cpu time spent up to now is 43.8 secs Computing kpt #: 80 total cpu time spent up to now is 44.4 secs Computing kpt #: 81 total cpu time spent up to now is 44.9 secs Computing kpt #: 82 total cpu time spent up to now is 45.4 secs Computing kpt #: 83 total cpu time spent up to now is 45.9 secs Computing kpt #: 84 total cpu time spent up to now is 46.4 secs Computing kpt #: 85 total cpu time spent up to now is 46.9 secs Computing kpt #: 86 total cpu time spent up to now is 47.4 secs Computing kpt #: 87 total cpu time spent up to now is 47.9 secs Computing kpt #: 88 total cpu time spent up to now is 48.4 secs Computing kpt #: 89 total cpu time spent up to now is 48.9 secs Computing kpt #: 90 total cpu time spent up to now is 49.4 secs Computing kpt #: 91 total cpu time spent up to now is 49.9 secs Computing kpt #: 92 total cpu time spent up to now is 50.4 secs Computing kpt #: 93 total cpu time spent up to now is 51.0 secs Computing kpt #: 94 total cpu time spent up to now is 51.5 secs Computing kpt #: 95 total cpu time spent up to now is 52.0 secs Computing kpt #: 96 total cpu time spent up to now is 52.5 secs Computing kpt #: 97 total cpu time spent up to now is 53.0 secs Computing kpt #: 98 total cpu time spent up to now is 53.5 secs Computing kpt #: 99 total cpu time spent up to now is 54.0 secs Computing kpt #: 100 total cpu time spent up to now is 54.5 secs Computing kpt #: 101 total cpu time spent up to now is 55.0 secs Computing kpt #: 102 total cpu time spent up to now is 55.5 secs Computing kpt #: 103 total cpu time spent up to now is 56.0 secs Computing kpt #: 104 total cpu time spent up to now is 56.5 secs Computing kpt #: 105 total cpu time spent up to now is 57.0 secs Computing kpt #: 106 total cpu time spent up to now is 57.5 secs Computing kpt #: 107 total cpu time spent up to now is 58.0 secs Computing kpt #: 108 total cpu time spent up to now is 58.5 secs Computing kpt #: 109 total cpu time spent up to now is 59.1 secs Computing kpt #: 110 total cpu time spent up to now is 59.6 secs Computing kpt #: 111 total cpu time spent up to now is 60.1 secs Computing kpt #: 112 total cpu time spent up to now is 60.6 secs Computing kpt #: 113 total cpu time spent up to now is 61.1 secs Computing kpt #: 114 total cpu time spent up to now is 61.6 secs Computing kpt #: 115 total cpu time spent up to now is 62.1 secs Computing kpt #: 116 total cpu time spent up to now is 62.6 secs Computing kpt #: 117 total cpu time spent up to now is 63.1 secs Computing kpt #: 118 total cpu time spent up to now is 63.6 secs Computing kpt #: 119 total cpu time spent up to now is 64.1 secs Computing kpt #: 120 total cpu time spent up to now is 64.6 secs Computing kpt #: 121 total cpu time spent up to now is 65.2 secs Computing kpt #: 122 total cpu time spent up to now is 65.7 secs Computing kpt #: 123 total cpu time spent up to now is 66.2 secs Computing kpt #: 124 total cpu time spent up to now is 66.8 secs Computing kpt #: 125 total cpu time spent up to now is 67.3 secs Computing kpt #: 126 total cpu time spent up to now is 67.8 secs Computing kpt #: 127 total cpu time spent up to now is 68.4 secs Computing kpt #: 128 total cpu time spent up to now is 68.9 secs Computing kpt #: 129 total cpu time spent up to now is 69.4 secs Computing kpt #: 130 total cpu time spent up to now is 70.0 secs Computing kpt #: 131 total cpu time spent up to now is 70.9 secs Computing kpt #: 132 total cpu time spent up to now is 71.4 secs Computing kpt #: 133 total cpu time spent up to now is 71.9 secs Computing kpt #: 134 total cpu time spent up to now is 72.4 secs Computing kpt #: 135 total cpu time spent up to now is 72.9 secs Computing kpt #: 136 total cpu time spent up to now is 73.4 secs Computing kpt #: 137 total cpu time spent up to now is 73.9 secs Computing kpt #: 138 total cpu time spent up to now is 74.4 secs Computing kpt #: 139 total cpu time spent up to now is 74.9 secs Computing kpt #: 140 total cpu time spent up to now is 75.4 secs Computing kpt #: 141 total cpu time spent up to now is 75.9 secs Computing kpt #: 142 total cpu time spent up to now is 76.3 secs Computing kpt #: 143 total cpu time spent up to now is 76.8 secs Computing kpt #: 144 total cpu time spent up to now is 77.3 secs Computing kpt #: 145 total cpu time spent up to now is 77.8 secs Computing kpt #: 146 total cpu time spent up to now is 78.3 secs Computing kpt #: 147 total cpu time spent up to now is 78.8 secs Computing kpt #: 148 total cpu time spent up to now is 79.3 secs Computing kpt #: 149 total cpu time spent up to now is 79.7 secs Computing kpt #: 150 total cpu time spent up to now is 80.2 secs Computing kpt #: 151 total cpu time spent up to now is 80.7 secs Computing kpt #: 152 total cpu time spent up to now is 81.2 secs Computing kpt #: 153 total cpu time spent up to now is 81.7 secs Computing kpt #: 154 total cpu time spent up to now is 82.2 secs Computing kpt #: 155 total cpu time spent up to now is 82.6 secs Computing kpt #: 156 total cpu time spent up to now is 83.1 secs Computing kpt #: 157 total cpu time spent up to now is 83.6 secs Computing kpt #: 158 total cpu time spent up to now is 84.1 secs Computing kpt #: 159 total cpu time spent up to now is 84.6 secs Computing kpt #: 160 total cpu time spent up to now is 85.1 secs Computing kpt #: 161 total cpu time spent up to now is 85.6 secs Computing kpt #: 162 total cpu time spent up to now is 86.1 secs Computing kpt #: 163 total cpu time spent up to now is 86.6 secs Computing kpt #: 164 total cpu time spent up to now is 87.1 secs Computing kpt #: 165 total cpu time spent up to now is 87.6 secs Computing kpt #: 166 total cpu time spent up to now is 88.1 secs Computing kpt #: 167 total cpu time spent up to now is 88.6 secs Computing kpt #: 168 total cpu time spent up to now is 89.1 secs Computing kpt #: 169 total cpu time spent up to now is 89.6 secs Computing kpt #: 170 total cpu time spent up to now is 90.1 secs Computing kpt #: 171 total cpu time spent up to now is 90.6 secs Computing kpt #: 172 total cpu time spent up to now is 91.1 secs Computing kpt #: 173 total cpu time spent up to now is 91.6 secs Computing kpt #: 174 total cpu time spent up to now is 92.1 secs Computing kpt #: 175 total cpu time spent up to now is 92.6 secs Computing kpt #: 176 total cpu time spent up to now is 93.2 secs Computing kpt #: 177 total cpu time spent up to now is 93.8 secs Computing kpt #: 178 total cpu time spent up to now is 94.3 secs Computing kpt #: 179 total cpu time spent up to now is 94.9 secs Computing kpt #: 180 total cpu time spent up to now is 95.5 secs Computing kpt #: 181 total cpu time spent up to now is 96.0 secs Computing kpt #: 182 total cpu time spent up to now is 96.6 secs Computing kpt #: 183 total cpu time spent up to now is 97.3 secs Computing kpt #: 184 total cpu time spent up to now is 97.9 secs Computing kpt #: 185 total cpu time spent up to now is 98.5 secs Computing kpt #: 186 total cpu time spent up to now is 99.2 secs Computing kpt #: 187 total cpu time spent up to now is 99.8 secs Computing kpt #: 188 total cpu time spent up to now is 100.4 secs Computing kpt #: 189 total cpu time spent up to now is 101.0 secs Computing kpt #: 190 total cpu time spent up to now is 101.7 secs Computing kpt #: 191 total cpu time spent up to now is 102.3 secs Computing kpt #: 192 total cpu time spent up to now is 103.0 secs Computing kpt #: 193 total cpu time spent up to now is 103.6 secs Computing kpt #: 194 total cpu time spent up to now is 104.2 secs Computing kpt #: 195 total cpu time spent up to now is 104.9 secs Computing kpt #: 196 total cpu time spent up to now is 106.0 secs Computing kpt #: 197 total cpu time spent up to now is 106.6 secs Computing kpt #: 198 total cpu time spent up to now is 107.2 secs Computing kpt #: 199 total cpu time spent up to now is 107.8 secs Computing kpt #: 200 total cpu time spent up to now is 108.5 secs Computing kpt #: 201 total cpu time spent up to now is 109.1 secs Computing kpt #: 202 total cpu time spent up to now is 109.8 secs Computing kpt #: 203 total cpu time spent up to now is 110.4 secs Computing kpt #: 204 total cpu time spent up to now is 111.1 secs Computing kpt #: 205 total cpu time spent up to now is 111.7 secs Computing kpt #: 206 total cpu time spent up to now is 112.4 secs Computing kpt #: 207 total cpu time spent up to now is 113.0 secs Computing kpt #: 208 total cpu time spent up to now is 113.6 secs Computing kpt #: 209 total cpu time spent up to now is 114.3 secs Computing kpt #: 210 total cpu time spent up to now is 114.9 secs Computing kpt #: 211 total cpu time spent up to now is 115.5 secs Computing kpt #: 212 total cpu time spent up to now is 116.2 secs Computing kpt #: 213 total cpu time spent up to now is 116.8 secs Computing kpt #: 214 total cpu time spent up to now is 117.4 secs Computing kpt #: 215 total cpu time spent up to now is 118.0 secs Computing kpt #: 216 total cpu time spent up to now is 118.7 secs Computing kpt #: 217 total cpu time spent up to now is 119.4 secs Computing kpt #: 218 total cpu time spent up to now is 120.1 secs Computing kpt #: 219 total cpu time spent up to now is 120.7 secs Computing kpt #: 220 total cpu time spent up to now is 121.3 secs Computing kpt #: 221 total cpu time spent up to now is 121.8 secs Computing kpt #: 222 total cpu time spent up to now is 122.3 secs Computing kpt #: 223 total cpu time spent up to now is 122.7 secs Computing kpt #: 224 total cpu time spent up to now is 123.2 secs Computing kpt #: 225 total cpu time spent up to now is 123.7 secs Computing kpt #: 226 total cpu time spent up to now is 124.2 secs Computing kpt #: 227 total cpu time spent up to now is 124.7 secs Computing kpt #: 228 total cpu time spent up to now is 125.2 secs Computing kpt #: 229 total cpu time spent up to now is 125.6 secs Computing kpt #: 230 total cpu time spent up to now is 126.1 secs Computing kpt #: 231 total cpu time spent up to now is 126.6 secs Computing kpt #: 232 total cpu time spent up to now is 127.0 secs Computing kpt #: 233 total cpu time spent up to now is 127.5 secs Computing kpt #: 234 total cpu time spent up to now is 128.0 secs Computing kpt #: 235 total cpu time spent up to now is 128.4 secs Computing kpt #: 236 total cpu time spent up to now is 128.9 secs Computing kpt #: 237 total cpu time spent up to now is 129.4 secs Computing kpt #: 238 total cpu time spent up to now is 129.8 secs Computing kpt #: 239 total cpu time spent up to now is 130.3 secs Computing kpt #: 240 total cpu time spent up to now is 130.8 secs Computing kpt #: 241 total cpu time spent up to now is 131.2 secs Computing kpt #: 242 total cpu time spent up to now is 131.7 secs Computing kpt #: 243 total cpu time spent up to now is 132.2 secs Computing kpt #: 244 total cpu time spent up to now is 132.7 secs Computing kpt #: 245 total cpu time spent up to now is 133.2 secs Computing kpt #: 246 total cpu time spent up to now is 133.6 secs Computing kpt #: 247 total cpu time spent up to now is 134.1 secs Computing kpt #: 248 total cpu time spent up to now is 134.6 secs Computing kpt #: 249 total cpu time spent up to now is 135.1 secs Computing kpt #: 250 total cpu time spent up to now is 135.6 secs Computing kpt #: 251 total cpu time spent up to now is 136.1 secs Computing kpt #: 252 total cpu time spent up to now is 136.6 secs Computing kpt #: 253 total cpu time spent up to now is 137.1 secs Computing kpt #: 254 total cpu time spent up to now is 137.6 secs Computing kpt #: 255 total cpu time spent up to now is 138.1 secs Computing kpt #: 256 total cpu time spent up to now is 138.6 secs Computing kpt #: 257 total cpu time spent up to now is 139.1 secs Computing kpt #: 258 total cpu time spent up to now is 139.6 secs Computing kpt #: 259 total cpu time spent up to now is 140.1 secs Computing kpt #: 260 total cpu time spent up to now is 140.9 secs Computing kpt #: 261 total cpu time spent up to now is 141.4 secs Computing kpt #: 262 total cpu time spent up to now is 141.9 secs Computing kpt #: 263 total cpu time spent up to now is 142.4 secs Computing kpt #: 264 total cpu time spent up to now is 142.9 secs Computing kpt #: 265 total cpu time spent up to now is 143.4 secs Computing kpt #: 266 total cpu time spent up to now is 143.9 secs Computing kpt #: 267 total cpu time spent up to now is 144.4 secs Computing kpt #: 268 total cpu time spent up to now is 144.9 secs Computing kpt #: 269 total cpu time spent up to now is 145.4 secs Computing kpt #: 270 total cpu time spent up to now is 145.9 secs Computing kpt #: 271 total cpu time spent up to now is 146.4 secs Computing kpt #: 272 total cpu time spent up to now is 147.0 secs Computing kpt #: 273 total cpu time spent up to now is 147.5 secs Computing kpt #: 274 total cpu time spent up to now is 148.1 secs Computing kpt #: 275 total cpu time spent up to now is 148.7 secs Computing kpt #: 276 total cpu time spent up to now is 149.2 secs Computing kpt #: 277 total cpu time spent up to now is 149.7 secs Computing kpt #: 278 total cpu time spent up to now is 150.2 secs Computing kpt #: 279 total cpu time spent up to now is 150.8 secs Computing kpt #: 280 total cpu time spent up to now is 151.3 secs Computing kpt #: 281 total cpu time spent up to now is 151.8 secs Computing kpt #: 282 total cpu time spent up to now is 152.3 secs Computing kpt #: 283 total cpu time spent up to now is 152.8 secs Computing kpt #: 284 total cpu time spent up to now is 153.3 secs Computing kpt #: 285 total cpu time spent up to now is 153.8 secs Computing kpt #: 286 total cpu time spent up to now is 154.4 secs Computing kpt #: 287 total cpu time spent up to now is 154.9 secs Computing kpt #: 288 total cpu time spent up to now is 155.4 secs Computing kpt #: 289 total cpu time spent up to now is 155.9 secs Computing kpt #: 290 total cpu time spent up to now is 156.4 secs Computing kpt #: 291 total cpu time spent up to now is 156.9 secs Computing kpt #: 292 total cpu time spent up to now is 157.4 secs Computing kpt #: 293 total cpu time spent up to now is 158.0 secs Computing kpt #: 294 total cpu time spent up to now is 158.5 secs Computing kpt #: 295 total cpu time spent up to now is 159.0 secs Computing kpt #: 296 total cpu time spent up to now is 159.5 secs Computing kpt #: 297 total cpu time spent up to now is 160.0 secs Computing kpt #: 298 total cpu time spent up to now is 160.6 secs Computing kpt #: 299 total cpu time spent up to now is 161.1 secs Computing kpt #: 300 total cpu time spent up to now is 161.6 secs Computing kpt #: 301 total cpu time spent up to now is 162.1 secs Computing kpt #: 302 total cpu time spent up to now is 162.6 secs Computing kpt #: 303 total cpu time spent up to now is 163.1 secs Computing kpt #: 304 total cpu time spent up to now is 163.6 secs Computing kpt #: 305 total cpu time spent up to now is 164.1 secs Computing kpt #: 306 total cpu time spent up to now is 164.6 secs Computing kpt #: 307 total cpu time spent up to now is 165.1 secs Computing kpt #: 308 total cpu time spent up to now is 165.6 secs Computing kpt #: 309 total cpu time spent up to now is 166.1 secs Computing kpt #: 310 total cpu time spent up to now is 166.6 secs Computing kpt #: 311 total cpu time spent up to now is 167.1 secs Computing kpt #: 312 total cpu time spent up to now is 167.6 secs Computing kpt #: 313 total cpu time spent up to now is 168.1 secs Computing kpt #: 314 total cpu time spent up to now is 168.6 secs Computing kpt #: 315 total cpu time spent up to now is 169.1 secs Computing kpt #: 316 total cpu time spent up to now is 169.5 secs Computing kpt #: 317 total cpu time spent up to now is 170.0 secs Computing kpt #: 318 total cpu time spent up to now is 170.5 secs Computing kpt #: 319 total cpu time spent up to now is 171.0 secs Computing kpt #: 320 total cpu time spent up to now is 171.5 secs Computing kpt #: 321 total cpu time spent up to now is 172.0 secs Computing kpt #: 322 total cpu time spent up to now is 172.5 secs Computing kpt #: 323 total cpu time spent up to now is 173.0 secs Computing kpt #: 324 total cpu time spent up to now is 173.5 secs Computing kpt #: 325 total cpu time spent up to now is 173.9 secs Computing kpt #: 326 total cpu time spent up to now is 174.4 secs Computing kpt #: 327 total cpu time spent up to now is 174.9 secs Computing kpt #: 328 total cpu time spent up to now is 175.9 secs Computing kpt #: 329 total cpu time spent up to now is 176.3 secs Computing kpt #: 330 total cpu time spent up to now is 176.8 secs Computing kpt #: 331 total cpu time spent up to now is 177.3 secs Computing kpt #: 332 total cpu time spent up to now is 177.8 secs Computing kpt #: 333 total cpu time spent up to now is 178.3 secs Computing kpt #: 334 total cpu time spent up to now is 178.7 secs Computing kpt #: 335 total cpu time spent up to now is 179.2 secs Computing kpt #: 336 total cpu time spent up to now is 179.7 secs Computing kpt #: 337 total cpu time spent up to now is 180.2 secs Computing kpt #: 338 total cpu time spent up to now is 180.7 secs Computing kpt #: 339 total cpu time spent up to now is 181.1 secs Computing kpt #: 340 total cpu time spent up to now is 181.6 secs Computing kpt #: 341 total cpu time spent up to now is 182.1 secs Computing kpt #: 342 total cpu time spent up to now is 182.6 secs Computing kpt #: 343 total cpu time spent up to now is 183.1 secs Computing kpt #: 344 total cpu time spent up to now is 183.6 secs Computing kpt #: 345 total cpu time spent up to now is 184.1 secs Computing kpt #: 346 total cpu time spent up to now is 184.6 secs Computing kpt #: 347 total cpu time spent up to now is 185.2 secs Computing kpt #: 348 total cpu time spent up to now is 185.8 secs Computing kpt #: 349 total cpu time spent up to now is 186.4 secs Computing kpt #: 350 total cpu time spent up to now is 187.1 secs Computing kpt #: 351 total cpu time spent up to now is 187.7 secs Computing kpt #: 352 total cpu time spent up to now is 188.3 secs Computing kpt #: 353 total cpu time spent up to now is 188.9 secs Computing kpt #: 354 total cpu time spent up to now is 189.6 secs Computing kpt #: 355 total cpu time spent up to now is 190.1 secs Computing kpt #: 356 total cpu time spent up to now is 190.5 secs Computing kpt #: 357 total cpu time spent up to now is 191.0 secs Computing kpt #: 358 total cpu time spent up to now is 191.5 secs Computing kpt #: 359 total cpu time spent up to now is 192.0 secs Computing kpt #: 360 total cpu time spent up to now is 192.5 secs Computing kpt #: 361 total cpu time spent up to now is 193.0 secs Computing kpt #: 362 total cpu time spent up to now is 193.4 secs Computing kpt #: 363 total cpu time spent up to now is 193.9 secs Computing kpt #: 364 total cpu time spent up to now is 194.4 secs Computing kpt #: 365 total cpu time spent up to now is 194.9 secs Computing kpt #: 366 total cpu time spent up to now is 195.4 secs Computing kpt #: 367 total cpu time spent up to now is 195.9 secs Computing kpt #: 368 total cpu time spent up to now is 196.4 secs Computing kpt #: 369 total cpu time spent up to now is 196.8 secs Computing kpt #: 370 total cpu time spent up to now is 197.3 secs Computing kpt #: 371 total cpu time spent up to now is 197.8 secs Computing kpt #: 372 total cpu time spent up to now is 198.3 secs Computing kpt #: 373 total cpu time spent up to now is 198.8 secs Computing kpt #: 374 total cpu time spent up to now is 199.3 secs Computing kpt #: 375 total cpu time spent up to now is 199.7 secs Computing kpt #: 376 total cpu time spent up to now is 200.2 secs Computing kpt #: 377 total cpu time spent up to now is 200.7 secs Computing kpt #: 378 total cpu time spent up to now is 201.2 secs Computing kpt #: 379 total cpu time spent up to now is 201.7 secs Computing kpt #: 380 total cpu time spent up to now is 202.2 secs ethr = 2.50E-08, avg # of iterations = 18.0 total cpu time spent up to now is 202.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4509 PWs) bands (ev): -11.7733 -11.7733 -11.7672 -11.7672 -11.7569 -11.7569 -11.7521 -11.7521 -9.2696 -9.2696 -9.2175 -9.2175 -9.2160 -9.2160 -9.2055 -9.2055 -9.1892 -9.1892 -9.1511 -9.1511 -6.6350 -6.6350 -5.1112 -5.1112 -1.1818 -1.1818 -0.0419 -0.0419 2.2723 2.2723 3.2450 3.2450 3.6314 3.6314 4.4542 4.4542 4.7168 4.7168 5.4516 5.4516 9.0801 9.0801 9.9374 9.9374 10.7409 10.7409 11.0148 11.0148 k = 0.0068 0.0202-0.0000 ( 4501 PWs) bands (ev): -11.7733 -11.7733 -11.7672 -11.7672 -11.7569 -11.7569 -11.7521 -11.7521 -9.2695 -9.2695 -9.2175 -9.2175 -9.2160 -9.2160 -9.2055 -9.2055 -9.1892 -9.1892 -9.1511 -9.1511 -6.6341 -6.6341 -5.1113 -5.1113 -1.1831 -1.1831 -0.0445 -0.0445 2.2733 2.2733 3.2464 3.2464 3.6327 3.6327 4.4561 4.4561 4.7181 4.7181 5.4511 5.4511 9.0740 9.0740 9.9338 9.9338 10.7438 10.7438 10.9683 10.9683 k = 0.0136 0.0403-0.0000 ( 4505 PWs) bands (ev): -11.7733 -11.7733 -11.7672 -11.7672 -11.7568 -11.7568 -11.7521 -11.7521 -9.2694 -9.2694 -9.2175 -9.2175 -9.2160 -9.2160 -9.2055 -9.2055 -9.1892 -9.1892 -9.1512 -9.1512 -6.6314 -6.6314 -5.1115 -5.1115 -1.1867 -1.1867 -0.0523 -0.0523 2.2764 2.2764 3.2505 3.2505 3.6364 3.6364 4.4617 4.4617 4.7221 4.7221 5.4496 5.4496 9.0557 9.0557 9.9233 9.9233 10.7521 10.7521 10.9062 10.9062 k = 0.0204 0.0605-0.0000 ( 4499 PWs) bands (ev): -11.7733 -11.7733 -11.7672 -11.7672 -11.7568 -11.7568 -11.7520 -11.7520 -9.2691 -9.2691 -9.2175 -9.2175 -9.2159 -9.2159 -9.2055 -9.2055 -9.1892 -9.1892 -9.1513 -9.1513 -6.6269 -6.6269 -5.1120 -5.1120 -1.1927 -1.1927 -0.0651 -0.0651 2.2816 2.2816 3.2572 3.2572 3.6427 3.6427 4.4709 4.4709 4.7289 4.7289 5.4472 5.4472 9.0257 9.0257 9.9061 9.9061 10.7642 10.7642 10.8377 10.8377 k = 0.0272 0.0806-0.0000 ( 4495 PWs) bands (ev): -11.7732 -11.7732 -11.7672 -11.7672 -11.7567 -11.7567 -11.7520 -11.7520 -9.2688 -9.2688 -9.2175 -9.2175 -9.2158 -9.2158 -9.2055 -9.2055 -9.1892 -9.1892 -9.1515 -9.1515 -6.6206 -6.6206 -5.1126 -5.1126 -1.2009 -1.2009 -0.0830 -0.0830 2.2889 2.2889 3.2667 3.2667 3.6515 3.6515 4.4835 4.4835 4.7383 4.7383 5.4437 5.4437 8.9842 8.9842 9.8826 9.8826 10.7526 10.7526 10.7901 10.7901 k = 0.0339 0.1008-0.0000 ( 4493 PWs) bands (ev): -11.7732 -11.7732 -11.7672 -11.7672 -11.7566 -11.7566 -11.7520 -11.7520 -9.2684 -9.2684 -9.2174 -9.2174 -9.2156 -9.2156 -9.2056 -9.2056 -9.1892 -9.1892 -9.1517 -9.1517 -6.6125 -6.6125 -5.1134 -5.1134 -1.2114 -1.2114 -0.1057 -0.1057 2.2983 2.2983 3.2789 3.2789 3.6628 3.6628 4.4992 4.4992 4.7506 4.7506 5.4393 5.4393 8.9319 8.9319 9.8531 9.8531 10.6752 10.6752 10.8043 10.8043 k = 0.0407 0.1209-0.0000 ( 4497 PWs) bands (ev): -11.7732 -11.7732 -11.7672 -11.7672 -11.7564 -11.7564 -11.7519 -11.7519 -9.2678 -9.2678 -9.2174 -9.2174 -9.2155 -9.2155 -9.2056 -9.2056 -9.1892 -9.1892 -9.1520 -9.1520 -6.6027 -6.6027 -5.1145 -5.1145 -1.2239 -1.2239 -0.1330 -0.1330 2.3098 2.3098 3.2937 3.2937 3.6766 3.6766 4.5177 4.5177 4.7657 4.7657 5.4338 5.4338 8.8696 8.8696 9.8180 9.8180 10.5891 10.5891 10.8219 10.8219 k = 0.0475 0.1411-0.0000 ( 4497 PWs) bands (ev): -11.7731 -11.7731 -11.7672 -11.7672 -11.7563 -11.7563 -11.7519 -11.7519 -9.2672 -9.2672 -9.2174 -9.2174 -9.2153 -9.2153 -9.2056 -9.2056 -9.1891 -9.1891 -9.1523 -9.1523 -6.5911 -6.5911 -5.1160 -5.1160 -1.2382 -1.2382 -0.1648 -0.1648 2.3234 2.3234 3.3112 3.3112 3.6928 3.6928 4.5387 4.5387 4.7838 4.7838 5.4274 5.4274 8.7983 8.7983 9.7773 9.7773 10.4984 10.4984 10.8363 10.8363 k = 0.0543 0.1612-0.0000 ( 4495 PWs) bands (ev): -11.7731 -11.7731 -11.7672 -11.7672 -11.7561 -11.7561 -11.7518 -11.7518 -9.2665 -9.2665 -9.2173 -9.2173 -9.2151 -9.2151 -9.2057 -9.2057 -9.1891 -9.1891 -9.1527 -9.1527 -6.5778 -6.5778 -5.1177 -5.1177 -1.2542 -1.2542 -0.2007 -0.2007 2.3392 2.3392 3.3312 3.3312 3.7114 3.7114 4.5616 4.5616 4.8050 4.8050 5.4201 5.4201 8.7190 8.7190 9.7311 9.7311 10.4040 10.4040 10.8436 10.8436 k = 0.0611 0.1814-0.0000 ( 4493 PWs) bands (ev): -11.7730 -11.7730 -11.7672 -11.7672 -11.7559 -11.7559 -11.7518 -11.7518 -9.2657 -9.2657 -9.2173 -9.2173 -9.2148 -9.2148 -9.2057 -9.2057 -9.1891 -9.1891 -9.1531 -9.1531 -6.5627 -6.5627 -5.1199 -5.1199 -1.2716 -1.2716 -0.2406 -0.2406 2.3571 2.3571 3.3539 3.3539 3.7324 3.7324 4.5861 4.5861 4.8292 4.8292 5.4118 5.4118 8.6326 8.6326 9.6794 9.6794 10.3067 10.3067 10.8397 10.8397 k = 0.0679 0.2015-0.0000 ( 4495 PWs) bands (ev): -11.7729 -11.7729 -11.7672 -11.7672 -11.7557 -11.7557 -11.7517 -11.7517 -9.2649 -9.2649 -9.2173 -9.2173 -9.2146 -9.2146 -9.2058 -9.2058 -9.1890 -9.1890 -9.1535 -9.1535 -6.5460 -6.5460 -5.1226 -5.1226 -1.2903 -1.2903 -0.2841 -0.2841 2.3772 2.3772 3.3790 3.3790 3.7557 3.7557 4.6116 4.6116 4.8566 4.8566 5.4026 5.4026 8.5404 8.5404 9.6223 9.6223 10.2070 10.2070 10.8206 10.8206 k = 0.0747 0.2217-0.0000 ( 4503 PWs) bands (ev): -11.7728 -11.7728 -11.7672 -11.7672 -11.7554 -11.7554 -11.7516 -11.7516 -9.2639 -9.2639 -9.2173 -9.2173 -9.2143 -9.2143 -9.2058 -9.2058 -9.1889 -9.1889 -9.1540 -9.1540 -6.5276 -6.5276 -5.1259 -5.1259 -1.3099 -1.3099 -0.3308 -0.3308 2.3994 2.3994 3.4067 3.4067 3.7813 3.7813 4.6378 4.6378 4.8871 4.8871 5.3926 5.3926 8.4433 8.4433 9.5599 9.5599 10.1056 10.1056 10.7844 10.7844 k = 0.0815 0.2418-0.0000 ( 4507 PWs) bands (ev): -11.7728 -11.7728 -11.7673 -11.7673 -11.7552 -11.7552 -11.7516 -11.7516 -9.2629 -9.2629 -9.2173 -9.2173 -9.2140 -9.2140 -9.2058 -9.2058 -9.1888 -9.1888 -9.1545 -9.1545 -6.5076 -6.5076 -5.1298 -5.1298 -1.3303 -1.3303 -0.3806 -0.3806 2.4238 2.4238 3.4368 3.4368 3.8091 3.8091 4.6643 4.6643 4.9205 4.9205 5.3818 5.3818 8.3423 8.3423 9.4923 9.4923 10.0031 10.0031 10.7310 10.7310 k = 0.0883 0.2620-0.0000 ( 4515 PWs) bands (ev): -11.7727 -11.7727 -11.7673 -11.7673 -11.7549 -11.7549 -11.7515 -11.7515 -9.2619 -9.2619 -9.2174 -9.2174 -9.2138 -9.2138 -9.2059 -9.2059 -9.1886 -9.1886 -9.1551 -9.1551 -6.4860 -6.4860 -5.1344 -5.1344 -1.3510 -1.3510 -0.4331 -0.4331 2.4503 2.4503 3.4692 3.4692 3.8391 3.8391 4.6907 4.6907 4.9564 4.9564 5.3705 5.3705 8.2384 8.2384 9.4198 9.4198 9.9002 9.9002 10.6622 10.6622 k = 0.0951 0.2821-0.0000 ( 4519 PWs) bands (ev): -11.7726 -11.7726 -11.7673 -11.7673 -11.7546 -11.7546 -11.7514 -11.7514 -9.2608 -9.2608 -9.2175 -9.2175 -9.2135 -9.2135 -9.2059 -9.2059 -9.1885 -9.1885 -9.1557 -9.1557 -6.4628 -6.4628 -5.1399 -5.1399 -1.3719 -1.3719 -0.4879 -0.4879 2.4789 2.4789 3.5040 3.5040 3.8711 3.8711 4.7168 4.7168 4.9944 4.9944 5.3589 5.3589 8.1324 8.1324 9.3427 9.3427 9.7976 9.7976 10.5809 10.5809 k = 0.1018 0.3023-0.0000 ( 4531 PWs) bands (ev): -11.7725 -11.7725 -11.7674 -11.7674 -11.7543 -11.7543 -11.7514 -11.7514 -9.2596 -9.2596 -9.2176 -9.2176 -9.2132 -9.2132 -9.2058 -9.2058 -9.1883 -9.1883 -9.1563 -9.1563 -6.4382 -6.4382 -5.1462 -5.1462 -1.3927 -1.3927 -0.5448 -0.5448 2.5095 2.5095 3.5411 3.5411 3.9052 3.9052 4.7424 4.7424 5.0338 5.0338 5.3474 5.3474 8.0253 8.0253 9.2614 9.2614 9.6960 9.6960 10.4900 10.4900 k = 0.1086 0.3224-0.0000 ( 4529 PWs) bands (ev): -11.7724 -11.7724 -11.7674 -11.7674 -11.7539 -11.7539 -11.7513 -11.7513 -9.2584 -9.2584 -9.2178 -9.2178 -9.2129 -9.2129 -9.2058 -9.2058 -9.1880 -9.1880 -9.1569 -9.1569 -6.4121 -6.4121 -5.1535 -5.1535 -1.4130 -1.4130 -0.6035 -0.6035 2.5422 2.5422 3.5803 3.5803 3.9413 3.9413 4.7674 4.7674 5.0732 5.0732 5.3369 5.3369 7.9177 7.9177 9.1763 9.1763 9.5960 9.5960 10.3923 10.3923 k = 0.1154 0.3426-0.0000 ( 4533 PWs) bands (ev): -11.7723 -11.7723 -11.7675 -11.7675 -11.7536 -11.7536 -11.7512 -11.7512 -9.2572 -9.2572 -9.2181 -9.2181 -9.2126 -9.2126 -9.2057 -9.2057 -9.1878 -9.1878 -9.1575 -9.1575 -6.3845 -6.3845 -5.1619 -5.1619 -1.4325 -1.4325 -0.6636 -0.6636 2.5770 2.5770 3.6216 3.6216 3.9791 3.9791 4.7915 4.7915 5.1107 5.1107 5.3289 5.3289 7.8106 7.8106 9.0878 9.0878 9.4984 9.4984 10.2898 10.2898 k = 0.1222 0.3627-0.0000 ( 4525 PWs) bands (ev): -11.7722 -11.7722 -11.7675 -11.7675 -11.7533 -11.7533 -11.7511 -11.7511 -9.2560 -9.2560 -9.2184 -9.2184 -9.2123 -9.2123 -9.2056 -9.2056 -9.1875 -9.1875 -9.1582 -9.1582 -6.3556 -6.3556 -5.1715 -5.1715 -1.4511 -1.4511 -0.7249 -0.7249 2.6137 2.6137 3.6649 3.6649 4.0186 4.0186 4.8146 4.8146 5.1429 5.1429 5.3264 5.3264 7.7046 7.7046 8.9962 8.9962 9.4040 9.4040 10.1842 10.1842 k = 0.1290 0.3829-0.0000 ( 4533 PWs) bands (ev): -11.7721 -11.7721 -11.7676 -11.7676 -11.7529 -11.7529 -11.7510 -11.7510 -9.2547 -9.2547 -9.2188 -9.2188 -9.2120 -9.2120 -9.2055 -9.2055 -9.1871 -9.1871 -9.1588 -9.1588 -6.3254 -6.3254 -5.1824 -5.1824 -1.4684 -1.4684 -0.7871 -0.7871 2.6523 2.6523 3.7101 3.7101 4.0596 4.0596 4.8365 4.8365 5.1650 5.1650 5.3338 5.3338 7.6006 7.6006 8.9019 8.9019 9.3132 9.3132 10.0766 10.0766 k = 0.1358 0.4030-0.0000 ( 4543 PWs) bands (ev): -11.7719 -11.7719 -11.7677 -11.7677 -11.7526 -11.7526 -11.7509 -11.7509 -9.2534 -9.2534 -9.2192 -9.2192 -9.2116 -9.2116 -9.2054 -9.2054 -9.1868 -9.1868 -9.1595 -9.1595 -6.2940 -6.2940 -5.1945 -5.1945 -1.4841 -1.4841 -0.8498 -0.8498 2.6928 2.6928 3.7571 3.7571 4.1019 4.1019 4.8570 4.8570 5.1735 5.1735 5.3538 5.3538 7.4994 7.4994 8.8055 8.8055 9.2269 9.2269 9.9682 9.9682 k = 0.1426 0.4232-0.0000 ( 4547 PWs) bands (ev): -11.7718 -11.7718 -11.7677 -11.7677 -11.7523 -11.7523 -11.7508 -11.7508 -9.2522 -9.2522 -9.2197 -9.2197 -9.2113 -9.2113 -9.2052 -9.2052 -9.1864 -9.1864 -9.1602 -9.1602 -6.2614 -6.2614 -5.2081 -5.2081 -1.4980 -1.4980 -0.9129 -0.9129 2.7351 2.7351 3.8058 3.8058 4.1453 4.1453 4.8759 4.8759 5.1703 5.1703 5.3840 5.3840 7.4020 7.4020 8.7074 8.7074 9.1454 9.1454 9.8596 9.8596 k = 0.1494 0.4433-0.0000 ( 4539 PWs) bands (ev): -11.7717 -11.7717 -11.7678 -11.7678 -11.7520 -11.7520 -11.7507 -11.7507 -9.2509 -9.2509 -9.2203 -9.2203 -9.2109 -9.2109 -9.2051 -9.2051 -9.1859 -9.1859 -9.1609 -9.1609 -6.2278 -6.2278 -5.2232 -5.2232 -1.5099 -1.5099 -0.9761 -0.9761 2.7791 2.7791 3.8560 3.8560 4.1895 4.1895 4.8929 4.8929 5.1597 5.1597 5.4194 5.4194 7.3092 7.3092 8.6080 8.6080 9.0693 9.0693 9.7516 9.7516 k = 0.1562 0.4635-0.0000 ( 4543 PWs) bands (ev): -11.7716 -11.7716 -11.7679 -11.7679 -11.7517 -11.7517 -11.7506 -11.7506 -9.2496 -9.2496 -9.2210 -9.2210 -9.2105 -9.2105 -9.2049 -9.2049 -9.1855 -9.1855 -9.1616 -9.1616 -6.1932 -6.1932 -5.2398 -5.2398 -1.5195 -1.5195 -1.0390 -1.0390 2.8248 2.8248 3.9076 3.9076 4.2342 4.2342 4.9079 4.9079 5.1451 5.1451 5.4558 5.4558 7.2225 7.2225 8.5079 8.5079 8.9990 8.9990 9.6449 9.6449 k = 0.1630 0.4836-0.0000 ( 4539 PWs) bands (ev): -11.7715 -11.7715 -11.7680 -11.7680 -11.7515 -11.7515 -11.7504 -11.7504 -9.2484 -9.2484 -9.2217 -9.2217 -9.2101 -9.2101 -9.2047 -9.2047 -9.1850 -9.1850 -9.1623 -9.1623 -6.1576 -6.1576 -5.2579 -5.2579 -1.5267 -1.5267 -1.1016 -1.1016 2.8721 2.8721 3.9603 3.9603 4.2787 4.2787 4.9206 4.9206 5.1285 5.1285 5.4902 5.4902 7.1430 7.1430 8.4076 8.4076 8.9348 8.9348 9.5399 9.5399 k = 0.1697 0.5038-0.0000 ( 4547 PWs) bands (ev): -11.7714 -11.7714 -11.7681 -11.7681 -11.7514 -11.7514 -11.7502 -11.7502 -9.2471 -9.2471 -9.2224 -9.2224 -9.2097 -9.2097 -9.2045 -9.2045 -9.1845 -9.1845 -9.1630 -9.1630 -6.1213 -6.1213 -5.2776 -5.2776 -1.5313 -1.5313 -1.1635 -1.1635 2.9208 2.9208 4.0141 4.0141 4.3225 4.3225 4.9308 4.9308 5.1114 5.1114 5.5205 5.5205 7.0723 7.0723 8.3075 8.3075 8.8769 8.8769 9.4372 9.4372 k = 0.1765 0.5239-0.0000 ( 4547 PWs) bands (ev): -11.7712 -11.7712 -11.7682 -11.7682 -11.7513 -11.7513 -11.7499 -11.7499 -9.2459 -9.2459 -9.2232 -9.2232 -9.2093 -9.2093 -9.2043 -9.2043 -9.1840 -9.1840 -9.1636 -9.1636 -6.0842 -6.0842 -5.2990 -5.2990 -1.5331 -1.5331 -1.2244 -1.2244 2.9710 2.9710 4.0687 4.0687 4.3647 4.3647 4.9381 4.9381 5.0949 5.0949 5.5445 5.5445 7.0120 7.0120 8.2083 8.2083 8.8256 8.8256 9.3373 9.3373 k = 0.1833 0.5441-0.0000 ( 4547 PWs) bands (ev): -11.7711 -11.7711 -11.7683 -11.7683 -11.7512 -11.7512 -11.7496 -11.7496 -9.2447 -9.2447 -9.2240 -9.2240 -9.2089 -9.2089 -9.2041 -9.2041 -9.1835 -9.1835 -9.1643 -9.1643 -6.0465 -6.0465 -5.3219 -5.3219 -1.5320 -1.5320 -1.2843 -1.2843 3.0224 3.0224 4.1237 4.1237 4.4045 4.4045 4.9422 4.9422 5.0804 5.0804 5.5604 5.5604 6.9637 6.9637 8.1103 8.1103 8.7809 8.7809 9.2407 9.2407 k = 0.1901 0.5642-0.0000 ( 4541 PWs) bands (ev): -11.7710 -11.7710 -11.7684 -11.7684 -11.7512 -11.7512 -11.7493 -11.7493 -9.2435 -9.2435 -9.2248 -9.2248 -9.2086 -9.2086 -9.2039 -9.2039 -9.1829 -9.1829 -9.1650 -9.1650 -6.0084 -6.0084 -5.3464 -5.3464 -1.5279 -1.5279 -1.3428 -1.3428 3.0751 3.0751 4.1790 4.1790 4.4404 4.4404 4.9422 4.9422 5.0699 5.0699 5.5667 5.5667 6.9290 6.9290 8.0141 8.0141 8.7428 8.7428 9.1482 9.1482 k = 0.1969 0.5844-0.0000 ( 4531 PWs) bands (ev): -11.7709 -11.7709 -11.7685 -11.7685 -11.7512 -11.7512 -11.7490 -11.7490 -9.2424 -9.2424 -9.2257 -9.2257 -9.2082 -9.2082 -9.2036 -9.2036 -9.1824 -9.1824 -9.1657 -9.1657 -5.9699 -5.9699 -5.3724 -5.3724 -1.5208 -1.5208 -1.3998 -1.3998 3.1288 3.1288 4.2341 4.2341 4.4712 4.4712 4.9370 4.9370 5.0658 5.0658 5.5623 5.5623 6.9086 6.9086 7.9203 7.9203 8.7109 8.7109 9.0604 9.0604 k = 0.2037 0.6045-0.0000 ( 4533 PWs) bands (ev): -11.7708 -11.7708 -11.7686 -11.7686 -11.7513 -11.7513 -11.7487 -11.7487 -9.2413 -9.2413 -9.2266 -9.2266 -9.2080 -9.2080 -9.2033 -9.2033 -9.1818 -9.1818 -9.1663 -9.1663 -5.9311 -5.9311 -5.4000 -5.4000 -1.5106 -1.5106 -1.4550 -1.4550 3.1833 3.1833 4.2884 4.2884 4.4956 4.4956 4.9258 4.9258 5.0701 5.0701 5.5471 5.5471 6.9027 6.9027 7.8293 7.8293 8.6844 8.6844 8.9785 8.9785 k = 0.2105 0.6247-0.0000 ( 4529 PWs) bands (ev): -11.7707 -11.7707 -11.7687 -11.7687 -11.7513 -11.7513 -11.7484 -11.7484 -9.2403 -9.2403 -9.2274 -9.2274 -9.2078 -9.2078 -9.2030 -9.2030 -9.1812 -9.1812 -9.1670 -9.1670 -5.8923 -5.8923 -5.4289 -5.4289 -1.5090 -1.5090 -1.4966 -1.4966 3.2386 3.2386 4.3413 4.3413 4.5129 4.5129 4.9089 4.9089 5.0836 5.0836 5.5216 5.5216 6.9104 6.9104 7.7420 7.7420 8.6617 8.6617 8.9043 8.9043 k = 0.2173 0.6448-0.0000 ( 4537 PWs) bands (ev): -11.7705 -11.7705 -11.7688 -11.7688 -11.7514 -11.7514 -11.7481 -11.7481 -9.2394 -9.2394 -9.2283 -9.2283 -9.2076 -9.2076 -9.2027 -9.2027 -9.1806 -9.1806 -9.1676 -9.1676 -5.8534 -5.8534 -5.4592 -5.4592 -1.5597 -1.5597 -1.4805 -1.4805 3.2945 3.2945 4.3911 4.3911 4.5238 4.5238 4.8872 4.8872 5.1056 5.1056 5.4869 5.4869 6.9302 6.9302 7.6592 7.6592 8.6399 8.6399 8.8407 8.8407 k = 0.2241 0.6650-0.0000 ( 4533 PWs) bands (ev): -11.7704 -11.7704 -11.7689 -11.7689 -11.7515 -11.7515 -11.7478 -11.7478 -9.2385 -9.2385 -9.2291 -9.2291 -9.2076 -9.2076 -9.2023 -9.2023 -9.1800 -9.1800 -9.1683 -9.1683 -5.8148 -5.8148 -5.4908 -5.4908 -1.6086 -1.6086 -1.4610 -1.4610 3.3507 3.3507 4.4337 4.4337 4.5320 4.5320 4.8616 4.8616 5.1352 5.1352 5.4447 5.4447 6.9596 6.9596 7.5823 7.5823 8.6141 8.6141 8.7922 8.7922 k = 0.2309 0.6851-0.0000 ( 4535 PWs) bands (ev): -11.7703 -11.7703 -11.7690 -11.7690 -11.7516 -11.7516 -11.7476 -11.7476 -9.2378 -9.2378 -9.2298 -9.2298 -9.2076 -9.2076 -9.2019 -9.2019 -9.1795 -9.1795 -9.1689 -9.1689 -5.7765 -5.7765 -5.5235 -5.5235 -1.6550 -1.6550 -1.4383 -1.4383 3.4070 3.4070 4.4589 4.4589 4.5482 4.5482 4.8324 4.8324 5.1708 5.1708 5.3968 5.3968 6.9953 6.9953 7.5134 7.5134 8.5803 8.5803 8.7622 8.7622 k = 0.2376 0.7053-0.0000 ( 4535 PWs) bands (ev): -11.7702 -11.7702 -11.7692 -11.7692 -11.7517 -11.7517 -11.7473 -11.7473 -9.2373 -9.2373 -9.2303 -9.2303 -9.2076 -9.2076 -9.2015 -9.2015 -9.1789 -9.1789 -9.1695 -9.1695 -5.7386 -5.7386 -5.5573 -5.5573 -1.6987 -1.6987 -1.4126 -1.4126 3.4631 3.4631 4.4596 4.4596 4.5802 4.5802 4.8002 4.8002 5.2107 5.2107 5.3450 5.3450 7.0324 7.0324 7.4563 7.4563 8.5396 8.5396 8.7483 8.7483 k = 0.2444 0.7254-0.0000 ( 4529 PWs) bands (ev): -11.7701 -11.7701 -11.7693 -11.7693 -11.7519 -11.7519 -11.7471 -11.7471 -9.2372 -9.2372 -9.2305 -9.2305 -9.2077 -9.2077 -9.2011 -9.2011 -9.1783 -9.1783 -9.1701 -9.1701 -5.7014 -5.7014 -5.5920 -5.5920 -1.7396 -1.7396 -1.3840 -1.3840 3.5186 3.5186 4.4447 4.4447 4.6198 4.6198 4.7653 4.7653 5.2524 5.2524 5.2914 5.2914 7.0635 7.0635 7.4176 7.4176 8.4969 8.4969 8.7435 8.7435 k = 0.2512 0.7456-0.0000 ( 4529 PWs) bands (ev): -11.7701 -11.7701 -11.7693 -11.7693 -11.7520 -11.7520 -11.7469 -11.7469 -9.2374 -9.2374 -9.2304 -9.2304 -9.2079 -9.2079 -9.2007 -9.2007 -9.1777 -9.1777 -9.1706 -9.1706 -5.6649 -5.6649 -5.6275 -5.6275 -1.7775 -1.7775 -1.3525 -1.3525 3.5732 3.5732 4.4218 4.4218 4.6602 4.6602 4.7280 4.7280 5.2336 5.2336 5.2982 5.2982 7.0791 7.0791 7.4064 7.4064 8.4562 8.4562 8.7409 8.7409 k = 0.2580 0.7657-0.0000 ( 4513 PWs) bands (ev): -11.7700 -11.7700 -11.7694 -11.7694 -11.7522 -11.7522 -11.7467 -11.7467 -9.2380 -9.2380 -9.2300 -9.2300 -9.2081 -9.2081 -9.2004 -9.2004 -9.1772 -9.1772 -9.1711 -9.1711 -5.6637 -5.6637 -5.6293 -5.6293 -1.8123 -1.8123 -1.3184 -1.3184 3.6264 3.6264 4.3941 4.3941 4.6878 4.6878 4.6996 4.6996 5.1784 5.1784 5.3408 5.3408 7.0741 7.0741 7.4272 7.4272 8.4200 8.4200 8.7350 8.7350 k = 0.2648 0.7859-0.0000 ( 4513 PWs) bands (ev): -11.7700 -11.7700 -11.7694 -11.7694 -11.7524 -11.7524 -11.7465 -11.7465 -9.2387 -9.2387 -9.2294 -9.2294 -9.2084 -9.2084 -9.2000 -9.2000 -9.1767 -9.1767 -9.1715 -9.1715 -5.7005 -5.7005 -5.5949 -5.5949 -1.8439 -1.8439 -1.2816 -1.2816 3.6773 3.6773 4.3631 4.3631 4.6474 4.6474 4.7345 4.7345 5.1237 5.1237 5.3817 5.3817 7.0548 7.0548 7.4737 7.4737 8.3894 8.3894 8.7224 8.7224 k = 0.2716 0.8060-0.0000 ( 4511 PWs) bands (ev): -11.7700 -11.7700 -11.7694 -11.7694 -11.7527 -11.7527 -11.7464 -11.7464 -9.2397 -9.2397 -9.2287 -9.2287 -9.2086 -9.2086 -9.1997 -9.1997 -9.1764 -9.1764 -9.1718 -9.1718 -5.7376 -5.7376 -5.5617 -5.5617 -1.8722 -1.8722 -1.2424 -1.2424 3.7254 3.7254 4.3301 4.3301 4.6051 4.6051 4.7663 4.7663 5.0709 5.0709 5.4190 5.4190 7.0307 7.0307 7.5364 7.5364 8.3652 8.3652 8.7027 8.7027 k = 0.2784 0.8262-0.0000 ( 4511 PWs) bands (ev): -11.7701 -11.7701 -11.7693 -11.7693 -11.7529 -11.7529 -11.7462 -11.7462 -9.2407 -9.2407 -9.2279 -9.2279 -9.2089 -9.2089 -9.1994 -9.1994 -9.1761 -9.1761 -9.1720 -9.1720 -5.7751 -5.7751 -5.5298 -5.5298 -1.8970 -1.8970 -1.2008 -1.2008 3.7695 3.7695 4.2960 4.2960 4.5620 4.5620 4.7940 4.7940 5.0210 5.0210 5.4512 5.4512 7.0086 7.0086 7.6084 7.6084 8.3475 8.3475 8.6785 8.6785 k = 0.2784 0.8262-0.0000 ( 4511 PWs) bands (ev): -11.7701 -11.7701 -11.7693 -11.7693 -11.7529 -11.7529 -11.7462 -11.7462 -9.2407 -9.2407 -9.2279 -9.2279 -9.2089 -9.2089 -9.1994 -9.1994 -9.1761 -9.1761 -9.1720 -9.1720 -5.7751 -5.7751 -5.5298 -5.5298 -1.8970 -1.8970 -1.2008 -1.2008 3.7695 3.7695 4.2960 4.2960 4.5620 4.5620 4.7940 4.7940 5.0210 5.0210 5.4512 5.4512 7.0086 7.0086 7.6084 7.6084 8.3475 8.3475 8.6785 8.6785 k = 0.2570 0.8262-0.0000 ( 4517 PWs) bands (ev): -11.7701 -11.7701 -11.7693 -11.7693 -11.7528 -11.7528 -11.7463 -11.7463 -9.2404 -9.2404 -9.2282 -9.2282 -9.2088 -9.2088 -9.1995 -9.1995 -9.1762 -9.1762 -9.1719 -9.1719 -5.7633 -5.7633 -5.5397 -5.5397 -1.8886 -1.8886 -1.2151 -1.2151 3.7581 3.7581 4.3023 4.3023 4.5751 4.5751 4.7859 4.7859 5.0380 5.0380 5.4414 5.4414 7.0163 7.0163 7.5849 7.5849 8.3540 8.3540 8.6891 8.6891 k = 0.2356 0.8262-0.0000 ( 4514 PWs) bands (ev): -11.7701 -11.7701 -11.7693 -11.7693 -11.7527 -11.7527 -11.7463 -11.7463 -9.2400 -9.2400 -9.2285 -9.2285 -9.2087 -9.2087 -9.1996 -9.1996 -9.1763 -9.1763 -9.1718 -9.1718 -5.7519 -5.7519 -5.5492 -5.5492 -1.8784 -1.8784 -1.2307 -1.2307 3.7508 3.7508 4.2994 4.2994 4.5869 4.5869 4.7781 4.7781 5.0576 5.0576 5.4308 5.4308 7.0268 7.0268 7.5627 7.5627 8.3640 8.3640 8.7043 8.7043 k = 0.2141 0.8262-0.0000 ( 4518 PWs) bands (ev): -11.7701 -11.7701 -11.7693 -11.7693 -11.7526 -11.7526 -11.7464 -11.7464 -9.2396 -9.2396 -9.2288 -9.2288 -9.2085 -9.2085 -9.1998 -9.1998 -9.1765 -9.1765 -9.1717 -9.1717 -5.7411 -5.7411 -5.5585 -5.5585 -1.8665 -1.8665 -1.2472 -1.2472 3.7479 3.7479 4.2879 4.2879 4.5976 4.5976 4.7706 4.7706 5.0790 5.0790 5.4196 5.4196 7.0400 7.0400 7.5411 7.5411 8.3772 8.3772 8.7236 8.7236 k = 0.1927 0.8262-0.0000 ( 4527 PWs) bands (ev): -11.7701 -11.7701 -11.7693 -11.7693 -11.7525 -11.7525 -11.7465 -11.7465 -9.2392 -9.2392 -9.2292 -9.2292 -9.2083 -9.2083 -9.1999 -9.1999 -9.1766 -9.1766 -9.1716 -9.1716 -5.7307 -5.7307 -5.5674 -5.5674 -1.8533 -1.8533 -1.2646 -1.2646 3.7493 3.7493 4.2690 4.2690 4.6075 4.6075 4.7634 4.7634 5.1015 5.1015 5.4079 5.4079 7.0558 7.0558 7.5196 7.5196 8.3931 8.3931 8.7462 8.7462 k = 0.1713 0.8262-0.0000 ( 4529 PWs) bands (ev): -11.7701 -11.7701 -11.7693 -11.7693 -11.7525 -11.7525 -11.7465 -11.7465 -9.2387 -9.2387 -9.2297 -9.2297 -9.2080 -9.2080 -9.2001 -9.2001 -9.1768 -9.1768 -9.1715 -9.1715 -5.7209 -5.7209 -5.5760 -5.5760 -1.8391 -1.8391 -1.2824 -1.2824 3.7551 3.7551 4.2437 4.2437 4.6168 4.6168 4.7565 4.7565 5.1242 5.1242 5.3958 5.3958 7.0739 7.0739 7.4979 7.4979 8.4111 8.4111 8.7710 8.7710 k = 0.1499 0.8262-0.0000 ( 4530 PWs) bands (ev): -11.7701 -11.7701 -11.7693 -11.7693 -11.7524 -11.7524 -11.7466 -11.7466 -9.2383 -9.2383 -9.2301 -9.2301 -9.2077 -9.2077 -9.2004 -9.2004 -9.1769 -9.1769 -9.1714 -9.1714 -5.7116 -5.7116 -5.5843 -5.5843 -1.8242 -1.8242 -1.3005 -1.3005 3.7651 3.7651 4.2135 4.2135 4.6255 4.6255 4.7500 4.7500 5.1465 5.1465 5.3835 5.3835 7.0943 7.0943 7.4753 7.4753 8.4305 8.4305 8.7964 8.7964 k = 0.1285 0.8262-0.0000 ( 4530 PWs) bands (ev): -11.7701 -11.7701 -11.7693 -11.7693 -11.7523 -11.7523 -11.7467 -11.7467 -9.2378 -9.2378 -9.2306 -9.2306 -9.2075 -9.2075 -9.2006 -9.2006 -9.1770 -9.1770 -9.1713 -9.1713 -5.7029 -5.7029 -5.5921 -5.5921 -1.8091 -1.8091 -1.3184 -1.3184 3.7794 3.7794 4.1796 4.1796 4.6336 4.6336 4.7439 4.7439 5.1680 5.1680 5.3711 5.3711 7.1166 7.1166 7.4518 7.4518 8.4506 8.4506 8.8205 8.8205 k = 0.1071 0.8262-0.0000 ( 4528 PWs) bands (ev): -11.7702 -11.7702 -11.7692 -11.7692 -11.7522 -11.7522 -11.7468 -11.7468 -9.2373 -9.2373 -9.2311 -9.2311 -9.2072 -9.2072 -9.2008 -9.2008 -9.1772 -9.1772 -9.1712 -9.1712 -5.6947 -5.6947 -5.5996 -5.5996 -1.7943 -1.7943 -1.3354 -1.3354 3.7976 3.7976 4.1431 4.1431 4.6410 4.6410 4.7382 4.7382 5.1882 5.1882 5.3588 5.3588 7.1407 7.1407 7.4272 7.4272 8.4704 8.4704 8.8410 8.8410 k = 0.0857 0.8262-0.0000 ( 4530 PWs) bands (ev): -11.7702 -11.7702 -11.7692 -11.7692 -11.7521 -11.7521 -11.7468 -11.7468 -9.2368 -9.2368 -9.2317 -9.2317 -9.2069 -9.2069 -9.2010 -9.2010 -9.1773 -9.1773 -9.1711 -9.1711 -5.6872 -5.6872 -5.6065 -5.6065 -1.7805 -1.7805 -1.3510 -1.3510 3.8194 3.8194 4.1053 4.1053 4.6475 4.6475 4.7331 4.7331 5.2070 5.2070 5.3465 5.3465 7.1661 7.1661 7.4016 7.4016 8.4889 8.4889 8.8564 8.8564 k = 0.0642 0.8262-0.0000 ( 4530 PWs) bands (ev): -11.7702 -11.7702 -11.7692 -11.7692 -11.7521 -11.7521 -11.7469 -11.7469 -9.2363 -9.2363 -9.2322 -9.2322 -9.2067 -9.2067 -9.2012 -9.2012 -9.1773 -9.1773 -9.1711 -9.1711 -5.6805 -5.6805 -5.6127 -5.6127 -1.7685 -1.7685 -1.3644 -1.3644 3.8444 3.8444 4.0672 4.0672 4.6530 4.6530 4.7287 4.7287 5.2240 5.2240 5.3347 5.3347 7.1925 7.1925 7.3753 7.3753 8.5052 8.5052 8.8661 8.8661 k = 0.0428 0.8262-0.0000 ( 4528 PWs) bands (ev): -11.7702 -11.7702 -11.7692 -11.7692 -11.7520 -11.7520 -11.7469 -11.7469 -9.2358 -9.2358 -9.2327 -9.2327 -9.2065 -9.2065 -9.2014 -9.2014 -9.1774 -9.1774 -9.1710 -9.1710 -5.6749 -5.6749 -5.6179 -5.6179 -1.7592 -1.7592 -1.3748 -1.3748 3.8715 3.8715 4.0304 4.0304 4.6573 4.6573 4.7253 4.7253 5.2385 5.2385 5.3237 5.3237 7.2188 7.2188 7.3491 7.3491 8.5179 8.5179 8.8710 8.8710 k = 0.0214 0.8262-0.0000 ( 4531 PWs) bands (ev): -11.7702 -11.7702 -11.7692 -11.7692 -11.7520 -11.7520 -11.7470 -11.7470 -9.2355 -9.2355 -9.2330 -9.2330 -9.2064 -9.2064 -9.2015 -9.2015 -9.1774 -9.1774 -9.1710 -9.1710 -5.6711 -5.6711 -5.6216 -5.6216 -1.7531 -1.7531 -1.3815 -1.3815 3.8980 3.8980 3.9980 3.9980 4.6600 4.6600 4.7230 4.7230 5.2493 5.2493 5.3151 5.3151 7.2428 7.2428 7.3252 7.3252 8.5261 8.5261 8.8729 8.8729 k = 0.0000 0.8262-0.0000 ( 4528 PWs) bands (ev): -11.7702 -11.7702 -11.7692 -11.7692 -11.7520 -11.7520 -11.7470 -11.7470 -9.2353 -9.2353 -9.2332 -9.2332 -9.2064 -9.2064 -9.2015 -9.2015 -9.1774 -9.1774 -9.1710 -9.1710 -5.6698 -5.6698 -5.6229 -5.6229 -1.7511 -1.7511 -1.3837 -1.3837 3.9123 3.9123 3.9817 3.9817 4.6610 4.6610 4.7222 4.7222 5.2536 5.2536 5.3116 5.3116 7.2551 7.2551 7.3129 7.3129 8.5289 8.5289 8.8733 8.8733 k = 0.0000 0.8262-0.0000 ( 4528 PWs) bands (ev): -11.7702 -11.7702 -11.7692 -11.7692 -11.7520 -11.7520 -11.7470 -11.7470 -9.2353 -9.2353 -9.2332 -9.2332 -9.2064 -9.2064 -9.2015 -9.2015 -9.1774 -9.1774 -9.1710 -9.1710 -5.6698 -5.6698 -5.6229 -5.6229 -1.7511 -1.7511 -1.3837 -1.3837 3.9123 3.9123 3.9817 3.9817 4.6610 4.6610 4.7222 4.7222 5.2536 5.2536 5.3116 5.3116 7.2551 7.2551 7.3129 7.3129 8.5289 8.5289 8.8733 8.8733 k = 0.0000 0.8262 0.0214 ( 4530 PWs) bands (ev): -11.7703 -11.7703 -11.7692 -11.7692 -11.7520 -11.7520 -11.7470 -11.7470 -9.2360 -9.2360 -9.2326 -9.2326 -9.2067 -9.2067 -9.2012 -9.2012 -9.1774 -9.1774 -9.1710 -9.1710 -5.6692 -5.6692 -5.6224 -5.6224 -1.7501 -1.7501 -1.3829 -1.3829 3.9108 3.9108 3.9800 3.9800 4.6453 4.6453 4.7130 4.7130 5.2594 5.2594 5.3147 5.3147 7.2495 7.2495 7.3220 7.3220 8.5377 8.5377 8.8754 8.8754 k = 0.0000 0.8262 0.0427 ( 4528 PWs) bands (ev): -11.7704 -11.7704 -11.7691 -11.7691 -11.7520 -11.7520 -11.7470 -11.7470 -9.2373 -9.2373 -9.2315 -9.2315 -9.2074 -9.2074 -9.2004 -9.2004 -9.1775 -9.1775 -9.1711 -9.1711 -5.6676 -5.6676 -5.6209 -5.6209 -1.7471 -1.7471 -1.3804 -1.3804 3.9059 3.9059 3.9752 3.9752 4.6021 4.6021 4.6864 4.6864 5.2734 5.2734 5.3226 5.3226 7.2405 7.2405 7.3431 7.3431 8.5631 8.5631 8.8825 8.8825 k = 0.0000 0.8262 0.0641 ( 4534 PWs) bands (ev): -11.7705 -11.7705 -11.7690 -11.7690 -11.7520 -11.7520 -11.7469 -11.7469 -9.2388 -9.2388 -9.2305 -9.2305 -9.2084 -9.2084 -9.1993 -9.1993 -9.1775 -9.1775 -9.1711 -9.1711 -5.6649 -5.6649 -5.6184 -5.6184 -1.7422 -1.7422 -1.3763 -1.3763 3.8965 3.8965 3.9673 3.9673 4.5392 4.5392 4.6462 4.6462 5.2877 5.2877 5.3321 5.3321 7.2363 7.2363 7.3707 7.3707 8.6025 8.6025 8.8964 8.8964 k = 0.0000 0.8262 0.0854 ( 4540 PWs) bands (ev): -11.7707 -11.7707 -11.7690 -11.7690 -11.7519 -11.7519 -11.7469 -11.7469 -9.2403 -9.2403 -9.2297 -9.2297 -9.2093 -9.2093 -9.1982 -9.1982 -9.1775 -9.1775 -9.1713 -9.1713 -5.6611 -5.6611 -5.6149 -5.6149 -1.7354 -1.7354 -1.3706 -1.3706 3.8804 3.8804 3.9569 3.9569 4.4639 4.4639 4.5979 4.5979 5.2936 5.2936 5.3403 5.3403 7.2416 7.2416 7.4044 7.4044 8.6512 8.6512 8.9203 8.9203 k = 0.0000 0.8262 0.1068 ( 4540 PWs) bands (ev): -11.7709 -11.7709 -11.7689 -11.7689 -11.7519 -11.7519 -11.7469 -11.7469 -9.2419 -9.2419 -9.2290 -9.2290 -9.2102 -9.2102 -9.1971 -9.1971 -9.1776 -9.1776 -9.1714 -9.1714 -5.6563 -5.6563 -5.6104 -5.6104 -1.7266 -1.7266 -1.3633 -1.3633 3.8552 3.8552 3.9437 3.9437 4.3821 4.3821 4.5469 4.5469 5.2855 5.2855 5.3439 5.3439 7.2591 7.2591 7.4454 7.4454 8.7031 8.7031 8.9581 8.9581 k = 0.0000 0.8262 0.1281 ( 4536 PWs) bands (ev): -11.7712 -11.7712 -11.7689 -11.7689 -11.7519 -11.7519 -11.7468 -11.7468 -9.2435 -9.2435 -9.2287 -9.2287 -9.2109 -9.2109 -9.1959 -9.1959 -9.1776 -9.1776 -9.1715 -9.1715 -5.6505 -5.6505 -5.6051 -5.6051 -1.7160 -1.7160 -1.3544 -1.3544 3.8192 3.8192 3.9261 3.9261 4.2994 4.2994 4.4979 4.4979 5.2626 5.2626 5.3388 5.3388 7.2900 7.2900 7.4951 7.4951 8.7523 8.7523 9.0136 9.0136 k = 0.0000 0.8262 0.1495 ( 4532 PWs) bands (ev): -11.7714 -11.7714 -11.7689 -11.7689 -11.7519 -11.7519 -11.7468 -11.7468 -9.2451 -9.2451 -9.2286 -9.2286 -9.2114 -9.2114 -9.1948 -9.1948 -9.1777 -9.1777 -9.1717 -9.1717 -5.6438 -5.6438 -5.5988 -5.5988 -1.7034 -1.7034 -1.3439 -1.3439 3.7715 3.7715 3.9001 3.9001 4.2222 4.2222 4.4538 4.4538 5.2255 5.2255 5.3227 5.3227 7.3344 7.3344 7.5545 7.5545 8.7959 8.7959 9.0872 9.0872 k = 0.0000 0.8262 0.1708 ( 4532 PWs) bands (ev): -11.7717 -11.7717 -11.7689 -11.7689 -11.7518 -11.7518 -11.7468 -11.7468 -9.2468 -9.2468 -9.2290 -9.2290 -9.2116 -9.2116 -9.1937 -9.1937 -9.1777 -9.1777 -9.1718 -9.1718 -5.6361 -5.6361 -5.5917 -5.5917 -1.6890 -1.6890 -1.3320 -1.3320 3.7124 3.7124 3.8595 3.8595 4.1577 4.1577 4.4163 4.4163 5.1756 5.1756 5.2947 5.2947 7.3911 7.3911 7.6237 7.6237 8.8351 8.8351 9.1756 9.1756 k = 0.0000 0.8262 0.1922 ( 4526 PWs) bands (ev): -11.7720 -11.7720 -11.7690 -11.7690 -11.7518 -11.7518 -11.7467 -11.7467 -9.2484 -9.2484 -9.2297 -9.2297 -9.2116 -9.2116 -9.1927 -9.1927 -9.1778 -9.1778 -9.1719 -9.1719 -5.6275 -5.6275 -5.5838 -5.5838 -1.6728 -1.6728 -1.3187 -1.3187 3.6433 3.6433 3.7999 3.7999 4.1111 4.1111 4.3859 4.3859 5.1148 5.1148 5.2557 5.2557 7.4585 7.4585 7.7024 7.7024 8.8726 8.8726 9.2741 9.2741 k = 0.0000 0.8262 0.2135 ( 4524 PWs) bands (ev): -11.7723 -11.7723 -11.7690 -11.7690 -11.7517 -11.7517 -11.7466 -11.7466 -9.2501 -9.2501 -9.2307 -9.2307 -9.2113 -9.2113 -9.1917 -9.1917 -9.1778 -9.1778 -9.1720 -9.1720 -5.6182 -5.6182 -5.5751 -5.5751 -1.6549 -1.6549 -1.3040 -1.3040 3.5659 3.5659 3.7230 3.7230 4.0812 4.0812 4.3617 4.3617 5.0454 5.0454 5.2071 5.2071 7.5342 7.5342 7.7896 7.7896 8.9108 8.9108 9.3788 9.3788 k = 0.0000 0.8262 0.2349 ( 4530 PWs) bands (ev): -11.7725 -11.7725 -11.7691 -11.7691 -11.7516 -11.7516 -11.7466 -11.7466 -9.2517 -9.2517 -9.2320 -9.2320 -9.2109 -9.2109 -9.1908 -9.1908 -9.1779 -9.1779 -9.1721 -9.1721 -5.6080 -5.6080 -5.5658 -5.5658 -1.6352 -1.6352 -1.2881 -1.2881 3.4822 3.4822 3.6346 3.6346 4.0625 4.0625 4.3425 4.3425 4.9694 4.9694 5.1507 5.1507 7.6162 7.6162 7.8840 7.8840 8.9512 8.9512 9.4863 9.4863 k = 0.0000 0.8262 0.2563 ( 4534 PWs) bands (ev): -11.7728 -11.7728 -11.7693 -11.7693 -11.7516 -11.7516 -11.7465 -11.7465 -9.2533 -9.2533 -9.2335 -9.2335 -9.2103 -9.2103 -9.1900 -9.1900 -9.1778 -9.1778 -9.1721 -9.1721 -5.5972 -5.5972 -5.5559 -5.5559 -1.6139 -1.6139 -1.2709 -1.2709 3.3941 3.3941 3.5400 3.5400 4.0498 4.0498 4.3269 4.3269 4.8892 4.8892 5.0884 5.0884 7.7020 7.7020 7.9843 7.9843 8.9949 8.9949 9.5942 9.5942 k = 0.0000 0.8262 0.2776 ( 4534 PWs) bands (ev): -11.7731 -11.7731 -11.7694 -11.7694 -11.7514 -11.7514 -11.7465 -11.7465 -9.2550 -9.2550 -9.2352 -9.2352 -9.2097 -9.2097 -9.1893 -9.1893 -9.1778 -9.1778 -9.1721 -9.1721 -5.5858 -5.5858 -5.5454 -5.5454 -1.5909 -1.5909 -1.2526 -1.2526 3.3031 3.3031 3.4424 3.4424 4.0398 4.0398 4.3134 4.3134 4.8069 4.8069 5.0224 5.0224 7.7898 7.7898 8.0891 8.0891 9.0426 9.0426 9.7000 9.7000 k = 0.0000 0.8262 0.2990 ( 4536 PWs) bands (ev): -11.7734 -11.7734 -11.7696 -11.7696 -11.7513 -11.7513 -11.7465 -11.7465 -9.2566 -9.2566 -9.2370 -9.2370 -9.2089 -9.2089 -9.1887 -9.1887 -9.1777 -9.1777 -9.1720 -9.1720 -5.5738 -5.5738 -5.5345 -5.5345 -1.5665 -1.5665 -1.2334 -1.2334 3.2106 3.2106 3.3440 3.3440 4.0304 4.0304 4.3001 4.3001 4.7248 4.7248 4.9545 4.9545 7.8777 7.8777 8.1971 8.1971 9.0947 9.0947 9.8016 9.8016 k = 0.0000 0.8262 0.3203 ( 4532 PWs) bands (ev): -11.7736 -11.7736 -11.7698 -11.7698 -11.7512 -11.7512 -11.7464 -11.7464 -9.2581 -9.2581 -9.2389 -9.2389 -9.2082 -9.2082 -9.1883 -9.1883 -9.1775 -9.1775 -9.1719 -9.1719 -5.5613 -5.5613 -5.5231 -5.5231 -1.5407 -1.5407 -1.2132 -1.2132 3.1176 3.1176 3.2458 3.2458 4.0199 4.0199 4.2848 4.2848 4.6459 4.6459 4.8867 4.8867 7.9642 7.9642 8.3071 8.3071 9.1513 9.1513 9.8970 9.8970 k = 0.0000 0.8262 0.3417 ( 4532 PWs) bands (ev): -11.7739 -11.7739 -11.7701 -11.7701 -11.7511 -11.7511 -11.7464 -11.7464 -9.2596 -9.2596 -9.2408 -9.2408 -9.2075 -9.2075 -9.1880 -9.1880 -9.1772 -9.1772 -9.1717 -9.1717 -5.5485 -5.5485 -5.5115 -5.5115 -1.5135 -1.5135 -1.1924 -1.1924 3.0250 3.0250 3.1488 3.1488 4.0072 4.0072 4.2640 4.2640 4.5741 4.5741 4.8207 4.8207 8.0481 8.0481 8.4178 8.4178 9.2124 9.2124 9.9839 9.9839 k = 0.0000 0.8262 0.3630 ( 4534 PWs) bands (ev): -11.7742 -11.7742 -11.7703 -11.7703 -11.7509 -11.7509 -11.7463 -11.7463 -9.2611 -9.2611 -9.2428 -9.2428 -9.2067 -9.2067 -9.1879 -9.1879 -9.1768 -9.1768 -9.1715 -9.1715 -5.5354 -5.5354 -5.4997 -5.4997 -1.4850 -1.4850 -1.1709 -1.1709 2.9336 2.9336 3.0535 3.0535 3.9910 3.9910 4.2335 4.2335 4.5140 4.5140 4.7583 4.7583 8.1286 8.1286 8.5280 8.5280 9.2775 9.2775 10.0608 10.0608 k = 0.0000 0.8262 0.3844 ( 4534 PWs) bands (ev): -11.7744 -11.7744 -11.7706 -11.7706 -11.7507 -11.7507 -11.7463 -11.7463 -9.2626 -9.2626 -9.2449 -9.2449 -9.2060 -9.2060 -9.1879 -9.1879 -9.1763 -9.1763 -9.1713 -9.1713 -5.5221 -5.5221 -5.4877 -5.4877 -1.4555 -1.4555 -1.1490 -1.1490 2.8438 2.8438 2.9604 2.9604 3.9704 3.9704 4.1898 4.1898 4.4698 4.4698 4.7010 4.7010 8.2052 8.2052 8.6367 8.6367 9.3461 9.3461 10.1263 10.1263 k = 0.0000 0.8262 0.4057 ( 4530 PWs) bands (ev): -11.7747 -11.7747 -11.7709 -11.7709 -11.7506 -11.7506 -11.7463 -11.7463 -9.2639 -9.2639 -9.2469 -9.2469 -9.2053 -9.2053 -9.1880 -9.1880 -9.1757 -9.1757 -9.1710 -9.1710 -5.5087 -5.5087 -5.4757 -5.4757 -1.4249 -1.4249 -1.1269 -1.1269 2.7563 2.7563 2.8698 2.8698 3.9446 3.9446 4.1333 4.1333 4.4412 4.4412 4.6503 4.6503 8.2776 8.2776 8.7426 8.7426 9.4173 9.4173 10.1800 10.1800 k = 0.0000 0.8262 0.4271 ( 4538 PWs) bands (ev): -11.7749 -11.7749 -11.7712 -11.7712 -11.7504 -11.7504 -11.7463 -11.7463 -9.2652 -9.2652 -9.2490 -9.2490 -9.2046 -9.2046 -9.1883 -9.1883 -9.1751 -9.1751 -9.1707 -9.1707 -5.4953 -5.4953 -5.4638 -5.4638 -1.3936 -1.3936 -1.1048 -1.1048 2.6715 2.6715 2.7821 2.7821 3.9133 3.9133 4.0683 4.0683 4.4246 4.4246 4.6069 4.6069 8.3460 8.3460 8.8444 8.8444 9.4901 9.4901 10.2224 10.2224 k = 0.0000 0.8262 0.4484 ( 4546 PWs) bands (ev): -11.7751 -11.7751 -11.7715 -11.7715 -11.7502 -11.7502 -11.7463 -11.7463 -9.2665 -9.2665 -9.2510 -9.2510 -9.2039 -9.2039 -9.1886 -9.1886 -9.1744 -9.1744 -9.1704 -9.1704 -5.4820 -5.4820 -5.4520 -5.4520 -1.3615 -1.3615 -1.0828 -1.0828 2.5898 2.5898 2.6974 2.6974 3.8765 3.8765 3.9994 3.9994 4.4157 4.4157 4.5710 4.5710 8.4106 8.4106 8.9406 8.9406 9.5633 9.5633 10.2550 10.2550 k = 0.0000 0.8262 0.4698 ( 4550 PWs) bands (ev): -11.7753 -11.7753 -11.7718 -11.7718 -11.7500 -11.7500 -11.7463 -11.7463 -9.2676 -9.2676 -9.2530 -9.2530 -9.2033 -9.2033 -9.1890 -9.1890 -9.1738 -9.1738 -9.1700 -9.1700 -5.4688 -5.4688 -5.4405 -5.4405 -1.3289 -1.3289 -1.0613 -1.0613 2.5117 2.5117 2.6162 2.6162 3.8349 3.8349 3.9299 3.9299 4.4115 4.4115 4.5424 4.5424 8.4718 8.4718 9.0298 9.0298 9.6360 9.6360 10.2797 10.2797 k = 0.0000 0.8262 0.4911 ( 4544 PWs) bands (ev): -11.7755 -11.7755 -11.7721 -11.7721 -11.7498 -11.7498 -11.7463 -11.7463 -9.2687 -9.2687 -9.2549 -9.2549 -9.2027 -9.2027 -9.1894 -9.1894 -9.1731 -9.1731 -9.1697 -9.1697 -5.4560 -5.4560 -5.4294 -5.4294 -1.2960 -1.2960 -1.0405 -1.0405 2.4374 2.4374 2.5386 2.5386 3.7895 3.7895 3.8618 3.8618 4.4103 4.4103 4.5204 4.5204 8.5300 8.5300 9.1101 9.1101 9.7073 9.7073 10.2989 10.2989 k = 0.0000 0.8262 0.5125 ( 4548 PWs) bands (ev): -11.7756 -11.7756 -11.7725 -11.7725 -11.7496 -11.7496 -11.7463 -11.7463 -9.2697 -9.2697 -9.2568 -9.2568 -9.2021 -9.2021 -9.1899 -9.1899 -9.1724 -9.1724 -9.1694 -9.1694 -5.4436 -5.4436 -5.4187 -5.4187 -1.2630 -1.2630 -1.0206 -1.0206 2.3673 2.3673 2.4648 2.4648 3.7418 3.7418 3.7965 3.7965 4.4110 4.4110 4.5038 4.5038 8.5858 8.5858 9.1799 9.1799 9.7767 9.7767 10.3147 10.3147 k = 0.0000 0.8262 0.5339 ( 4548 PWs) bands (ev): -11.7758 -11.7758 -11.7728 -11.7728 -11.7494 -11.7494 -11.7463 -11.7463 -9.2705 -9.2705 -9.2587 -9.2587 -9.2015 -9.2015 -9.1903 -9.1903 -9.1718 -9.1718 -9.1690 -9.1690 -5.4316 -5.4316 -5.4086 -5.4086 -1.2301 -1.2301 -1.0019 -1.0019 2.3019 2.3019 2.3952 2.3952 3.6930 3.6930 3.7350 3.7350 4.4131 4.4131 4.4915 4.4915 8.6394 8.6394 9.2376 9.2376 9.8438 9.8438 10.3288 10.3288 k = 0.0000 0.8262 0.5552 ( 4544 PWs) bands (ev): -11.7759 -11.7759 -11.7731 -11.7731 -11.7492 -11.7492 -11.7464 -11.7464 -9.2713 -9.2713 -9.2604 -9.2604 -9.2009 -9.2009 -9.1908 -9.1908 -9.1712 -9.1712 -9.1687 -9.1687 -5.4202 -5.4202 -5.3991 -5.3991 -1.1975 -1.1975 -0.9847 -0.9847 2.2414 2.2414 2.3298 2.3298 3.6445 3.6445 3.6778 3.6778 4.4161 4.4161 4.4827 4.4827 8.6913 8.6913 9.2820 9.2820 9.9087 9.9087 10.3425 10.3425 k = 0.0000 0.8262 0.5766 ( 4538 PWs) bands (ev): -11.7759 -11.7759 -11.7734 -11.7734 -11.7490 -11.7490 -11.7464 -11.7464 -9.2719 -9.2719 -9.2621 -9.2621 -9.2004 -9.2004 -9.1913 -9.1913 -9.1706 -9.1706 -9.1684 -9.1684 -5.4095 -5.4095 -5.3903 -5.3903 -1.1656 -1.1656 -0.9693 -0.9693 2.1861 2.1861 2.2690 2.2690 3.5976 3.5976 3.6252 3.6252 4.4197 4.4197 4.4763 4.4763 8.7418 8.7418 9.3127 9.3127 9.9712 9.9712 10.3562 10.3562 k = 0.0000 0.8262 0.5979 ( 4540 PWs) bands (ev): -11.7760 -11.7760 -11.7737 -11.7737 -11.7488 -11.7488 -11.7465 -11.7465 -9.2725 -9.2725 -9.2637 -9.2637 -9.1998 -9.1998 -9.1918 -9.1918 -9.1701 -9.1701 -9.1682 -9.1682 -5.3996 -5.3996 -5.3823 -5.3823 -1.1345 -1.1345 -0.9561 -0.9561 2.1364 2.1364 2.2130 2.2130 3.5534 3.5534 3.5773 3.5773 4.4237 4.4237 4.4718 4.4718 8.7912 8.7912 9.3300 9.3300 10.0313 10.0313 10.3695 10.3695 k = 0.0000 0.8262 0.6193 ( 4540 PWs) bands (ev): -11.7761 -11.7761 -11.7740 -11.7740 -11.7486 -11.7486 -11.7466 -11.7466 -9.2729 -9.2729 -9.2652 -9.2652 -9.1993 -9.1993 -9.1923 -9.1923 -9.1696 -9.1696 -9.1679 -9.1679 -5.3904 -5.3904 -5.3753 -5.3753 -1.1046 -1.1046 -0.9452 -0.9452 2.0925 2.0925 2.1620 2.1620 3.5130 3.5130 3.5342 3.5342 4.4278 4.4278 4.4685 4.4685 8.8397 8.8397 9.3349 9.3349 10.0886 10.0886 10.3818 10.3818 k = 0.0000 0.8262 0.6406 ( 4544 PWs) bands (ev): -11.7761 -11.7761 -11.7743 -11.7743 -11.7484 -11.7484 -11.7467 -11.7467 -9.2732 -9.2732 -9.2665 -9.2665 -9.1988 -9.1988 -9.1928 -9.1928 -9.1691 -9.1691 -9.1677 -9.1677 -5.3822 -5.3822 -5.3691 -5.3691 -1.0761 -1.0761 -0.9369 -0.9369 2.0548 2.0548 2.1163 2.1163 3.4772 3.4772 3.4960 3.4960 4.4321 4.4321 4.4659 4.4659 8.8873 8.8873 9.3289 9.3289 10.1427 10.1427 10.3922 10.3922 k = 0.0000 0.8262 0.6620 ( 4540 PWs) bands (ev): -11.7761 -11.7761 -11.7746 -11.7746 -11.7482 -11.7482 -11.7467 -11.7467 -9.2734 -9.2734 -9.2678 -9.2678 -9.1983 -9.1983 -9.1933 -9.1933 -9.1687 -9.1687 -9.1676 -9.1676 -5.3750 -5.3750 -5.3640 -5.3640 -1.0494 -1.0494 -0.9315 -0.9315 2.0234 2.0234 2.0761 2.0761 3.4466 3.4466 3.4629 3.4629 4.4363 4.4363 4.4639 4.4639 8.9342 8.9342 9.3139 9.3139 10.1927 10.1927 10.3996 10.3996 k = 0.0000 0.8262 0.6833 ( 4544 PWs) bands (ev): -11.7760 -11.7760 -11.7748 -11.7748 -11.7480 -11.7480 -11.7468 -11.7468 -9.2734 -9.2734 -9.2689 -9.2689 -9.1978 -9.1978 -9.1938 -9.1938 -9.1683 -9.1683 -9.1675 -9.1675 -5.3688 -5.3688 -5.3599 -5.3599 -1.0248 -1.0248 -0.9291 -0.9291 1.9985 1.9985 2.0418 2.0418 3.4215 3.4215 3.4351 3.4351 4.4403 4.4403 4.4620 4.4620 8.9804 8.9804 9.2915 9.2915 10.2383 10.2383 10.4031 10.4031 k = 0.0000 0.8262 0.7047 ( 4550 PWs) bands (ev): -11.7760 -11.7760 -11.7751 -11.7751 -11.7479 -11.7479 -11.7470 -11.7470 -9.2733 -9.2733 -9.2700 -9.2700 -9.1973 -9.1973 -9.1943 -9.1943 -9.1681 -9.1681 -9.1674 -9.1674 -5.3636 -5.3636 -5.3570 -5.3570 -1.0025 -1.0025 -0.9299 -0.9299 1.9804 1.9804 2.0135 2.0135 3.4022 3.4022 3.4127 3.4127 4.4441 4.4441 4.4602 4.4602 9.0257 9.0257 9.2632 9.2632 10.2788 10.2788 10.4021 10.4021 k = 0.0000 0.8262 0.7260 ( 4548 PWs) bands (ev): -11.7759 -11.7759 -11.7753 -11.7753 -11.7477 -11.7477 -11.7471 -11.7471 -9.2731 -9.2731 -9.2709 -9.2709 -9.1968 -9.1968 -9.1948 -9.1948 -9.1678 -9.1678 -9.1674 -9.1674 -5.3596 -5.3596 -5.3552 -5.3552 -0.9828 -0.9828 -0.9340 -0.9340 1.9690 1.9690 1.9914 1.9914 3.3889 3.3889 3.3961 3.3961 4.4476 4.4476 4.4583 4.4583 9.0700 9.0700 9.2302 9.2302 10.3139 10.3139 10.3959 10.3959 k = 0.0000 0.8262 0.7474 ( 4538 PWs) bands (ev): -11.7758 -11.7758 -11.7755 -11.7755 -11.7475 -11.7475 -11.7472 -11.7472 -9.2727 -9.2727 -9.2716 -9.2716 -9.1963 -9.1963 -9.1953 -9.1953 -9.1676 -9.1676 -9.1674 -9.1674 -5.3567 -5.3567 -5.3545 -5.3545 -0.9659 -0.9659 -0.9414 -0.9414 1.9645 1.9645 1.9758 1.9758 3.3816 3.3816 3.3853 3.3853 4.4508 4.4508 4.4561 4.4561 9.1130 9.1130 9.1937 9.1937 10.3432 10.3432 10.3841 10.3841 k = 0.0000 0.8262 0.7688 ( 4532 PWs) bands (ev): -11.7756 -11.7756 -11.7756 -11.7756 -11.7474 -11.7474 -11.7474 -11.7474 -9.2722 -9.2722 -9.2722 -9.2722 -9.1958 -9.1958 -9.1958 -9.1958 -9.1675 -9.1675 -9.1675 -9.1675 -5.3550 -5.3550 -5.3550 -5.3550 -0.9521 -0.9521 -0.9521 -0.9521 1.9668 1.9668 1.9668 1.9668 3.3804 3.3804 3.3804 3.3804 4.4536 4.4536 4.4536 4.4536 9.1544 9.1544 9.1544 9.1544 10.3666 10.3666 10.3666 10.3666 k = 0.0000 0.8262 0.7688 ( 4532 PWs) bands (ev): -11.7756 -11.7756 -11.7756 -11.7756 -11.7474 -11.7474 -11.7474 -11.7474 -9.2722 -9.2722 -9.2722 -9.2722 -9.1958 -9.1958 -9.1958 -9.1958 -9.1675 -9.1675 -9.1675 -9.1675 -5.3550 -5.3550 -5.3550 -5.3550 -0.9521 -0.9521 -0.9521 -0.9521 1.9668 1.9668 1.9668 1.9668 3.3804 3.3804 3.3804 3.3804 4.4536 4.4536 4.4536 4.4536 9.1544 9.1544 9.1544 9.1544 10.3666 10.3666 10.3666 10.3666 k = 0.0214 0.8262 0.7688 ( 4546 PWs) bands (ev): -11.7758 -11.7758 -11.7755 -11.7755 -11.7475 -11.7475 -11.7472 -11.7472 -9.2723 -9.2723 -9.2722 -9.2722 -9.1964 -9.1964 -9.1952 -9.1952 -9.1681 -9.1681 -9.1669 -9.1669 -5.3551 -5.3551 -5.3550 -5.3550 -0.9526 -0.9526 -0.9523 -0.9523 1.9640 1.9640 1.9695 1.9695 3.3780 3.3780 3.3861 3.3861 4.4529 4.4529 4.4536 4.4536 9.1230 9.1230 9.1825 9.1825 10.3309 10.3309 10.4100 10.4100 k = 0.0428 0.8262 0.7688 ( 4552 PWs) bands (ev): -11.7759 -11.7759 -11.7753 -11.7753 -11.7477 -11.7477 -11.7471 -11.7471 -9.2723 -9.2723 -9.2721 -9.2721 -9.1970 -9.1970 -9.1945 -9.1945 -9.1686 -9.1686 -9.1664 -9.1664 -5.3553 -5.3553 -5.3551 -5.3551 -0.9538 -0.9538 -0.9533 -0.9533 1.9614 1.9614 1.9721 1.9721 3.3789 3.3789 3.3949 3.3949 4.4517 4.4517 4.4531 4.4531 9.0890 9.0890 9.2061 9.2061 10.3034 10.3034 10.4602 10.4602 k = 0.0642 0.8262 0.7688 ( 4552 PWs) bands (ev): -11.7760 -11.7760 -11.7752 -11.7752 -11.7478 -11.7478 -11.7469 -11.7469 -9.2723 -9.2723 -9.2720 -9.2720 -9.1976 -9.1976 -9.1938 -9.1938 -9.1693 -9.1693 -9.1659 -9.1659 -5.3556 -5.3556 -5.3553 -5.3553 -0.9558 -0.9558 -0.9550 -0.9550 1.9589 1.9589 1.9747 1.9747 3.3830 3.3830 3.4067 3.4067 4.4499 4.4499 4.4521 4.4521 9.0534 9.0534 9.2245 9.2245 10.2848 10.2848 10.5164 10.5164 k = 0.0857 0.8262 0.7688 ( 4554 PWs) bands (ev): -11.7762 -11.7762 -11.7750 -11.7750 -11.7479 -11.7479 -11.7468 -11.7468 -9.2723 -9.2723 -9.2719 -9.2719 -9.1981 -9.1981 -9.1932 -9.1932 -9.1699 -9.1699 -9.1655 -9.1655 -5.3559 -5.3559 -5.3556 -5.3556 -0.9584 -0.9584 -0.9574 -0.9574 1.9568 1.9568 1.9773 1.9773 3.3900 3.3900 3.4210 3.4210 4.4477 4.4477 4.4509 4.4509 9.0170 9.0170 9.2370 9.2370 10.2751 10.2751 10.5779 10.5779 k = 0.1071 0.8262 0.7688 ( 4554 PWs) bands (ev): -11.7763 -11.7763 -11.7749 -11.7749 -11.7481 -11.7481 -11.7467 -11.7467 -9.2723 -9.2723 -9.2718 -9.2718 -9.1986 -9.1986 -9.1925 -9.1925 -9.1705 -9.1705 -9.1651 -9.1651 -5.3564 -5.3564 -5.3560 -5.3560 -0.9617 -0.9617 -0.9604 -0.9604 1.9552 1.9552 1.9800 1.9800 3.3995 3.3995 3.4374 3.4374 4.4453 4.4453 4.4495 4.4495 8.9803 8.9803 9.2434 9.2434 10.2740 10.2740 10.6438 10.6438 k = 0.1285 0.8262 0.7688 ( 4554 PWs) bands (ev): -11.7764 -11.7764 -11.7748 -11.7748 -11.7482 -11.7482 -11.7466 -11.7466 -9.2723 -9.2723 -9.2717 -9.2717 -9.1991 -9.1991 -9.1918 -9.1918 -9.1711 -9.1711 -9.1647 -9.1647 -5.3569 -5.3569 -5.3565 -5.3565 -0.9656 -0.9656 -0.9641 -0.9641 1.9543 1.9543 1.9829 1.9829 3.4112 3.4112 3.4553 3.4553 4.4429 4.4429 4.4483 4.4483 8.9440 8.9440 9.2438 9.2438 10.2804 10.2804 10.7131 10.7131 k = 0.1499 0.8262 0.7688 ( 4558 PWs) bands (ev): -11.7765 -11.7765 -11.7746 -11.7746 -11.7483 -11.7483 -11.7464 -11.7464 -9.2723 -9.2723 -9.2715 -9.2715 -9.1995 -9.1995 -9.1912 -9.1912 -9.1717 -9.1717 -9.1644 -9.1644 -5.3575 -5.3575 -5.3571 -5.3571 -0.9700 -0.9700 -0.9683 -0.9683 1.9542 1.9542 1.9860 1.9860 3.4244 3.4244 3.4742 3.4742 4.4408 4.4408 4.4474 4.4474 8.9086 8.9086 9.2386 9.2386 10.2929 10.2929 10.7849 10.7849 k = 0.1713 0.8262 0.7688 ( 4558 PWs) bands (ev): -11.7766 -11.7766 -11.7745 -11.7745 -11.7484 -11.7484 -11.7463 -11.7463 -9.2723 -9.2723 -9.2713 -9.2713 -9.1999 -9.1999 -9.1906 -9.1906 -9.1722 -9.1722 -9.1641 -9.1641 -5.3583 -5.3583 -5.3578 -5.3578 -0.9748 -0.9748 -0.9729 -0.9729 1.9551 1.9551 1.9896 1.9896 3.4386 3.4386 3.4935 3.4935 4.4392 4.4392 4.4472 4.4472 8.8744 8.8744 9.2289 9.2289 10.3094 10.3094 10.8578 10.8578 k = 0.1927 0.8262 0.7688 ( 4552 PWs) bands (ev): -11.7767 -11.7767 -11.7744 -11.7744 -11.7485 -11.7485 -11.7463 -11.7463 -9.2722 -9.2722 -9.2711 -9.2711 -9.2002 -9.2002 -9.1901 -9.1901 -9.1727 -9.1727 -9.1639 -9.1639 -5.3592 -5.3592 -5.3586 -5.3586 -0.9801 -0.9801 -0.9780 -0.9780 1.9572 1.9572 1.9938 1.9938 3.4533 3.4533 3.5124 3.5124 4.4384 4.4384 4.4480 4.4480 8.8420 8.8420 9.2156 9.2156 10.3274 10.3274 10.9299 10.9299 k = 0.2141 0.8262 0.7688 ( 4560 PWs) bands (ev): -11.7767 -11.7767 -11.7743 -11.7743 -11.7486 -11.7486 -11.7462 -11.7462 -9.2722 -9.2722 -9.2708 -9.2708 -9.2005 -9.2005 -9.1896 -9.1896 -9.1731 -9.1731 -9.1638 -9.1638 -5.3601 -5.3601 -5.3596 -5.3596 -0.9856 -0.9856 -0.9833 -0.9833 1.9606 1.9606 1.9986 1.9986 3.4678 3.4678 3.5304 3.5304 4.4386 4.4386 4.4499 4.4499 8.8117 8.8117 9.1997 9.1997 10.3443 10.3443 10.9981 10.9981 k = 0.2356 0.8262 0.7688 ( 4562 PWs) bands (ev): -11.7768 -11.7768 -11.7742 -11.7742 -11.7486 -11.7486 -11.7461 -11.7461 -9.2722 -9.2722 -9.2706 -9.2706 -9.2007 -9.2007 -9.1892 -9.1892 -9.1734 -9.1734 -9.1637 -9.1637 -5.3612 -5.3612 -5.3607 -5.3607 -0.9914 -0.9914 -0.9889 -0.9889 1.9654 1.9654 2.0042 2.0042 3.4816 3.4816 3.5469 3.5469 4.4399 4.4399 4.4531 4.4531 8.7839 8.7839 9.1824 9.1824 10.3575 10.3575 11.0577 11.0577 k = 0.2570 0.8262 0.7688 ( 4566 PWs) bands (ev): -11.7768 -11.7768 -11.7741 -11.7741 -11.7487 -11.7487 -11.7461 -11.7461 -9.2722 -9.2722 -9.2703 -9.2703 -9.2009 -9.2009 -9.1890 -9.1890 -9.1737 -9.1737 -9.1637 -9.1637 -5.3624 -5.3624 -5.3619 -5.3619 -0.9973 -0.9973 -0.9947 -0.9947 1.9717 1.9717 2.0106 2.0106 3.4942 3.4942 3.5615 3.5615 4.4425 4.4425 4.4576 4.4576 8.7589 8.7589 9.1646 9.1646 10.3648 10.3648 11.1014 11.1014 k = 0.2784 0.8262 0.7688 ( 4572 PWs) bands (ev): -11.7769 -11.7769 -11.7741 -11.7741 -11.7487 -11.7487 -11.7461 -11.7461 -9.2721 -9.2721 -9.2699 -9.2699 -9.2010 -9.2010 -9.1888 -9.1888 -9.1738 -9.1738 -9.1637 -9.1637 -5.3638 -5.3638 -5.3633 -5.3633 -1.0032 -1.0032 -1.0005 -1.0005 1.9794 1.9794 2.0180 2.0180 3.5054 3.5054 3.5737 3.5737 4.4463 4.4463 4.4633 4.4633 8.7373 8.7373 9.1473 9.1473 10.3647 10.3647 11.1194 11.1194 k = 0.2784 0.8262 0.7688 ( 4572 PWs) bands (ev): -11.7769 -11.7769 -11.7741 -11.7741 -11.7487 -11.7487 -11.7461 -11.7461 -9.2721 -9.2721 -9.2699 -9.2699 -9.2010 -9.2010 -9.1888 -9.1888 -9.1738 -9.1738 -9.1637 -9.1637 -5.3638 -5.3638 -5.3633 -5.3633 -1.0032 -1.0032 -1.0005 -1.0005 1.9794 1.9794 2.0180 2.0180 3.5054 3.5054 3.5737 3.5737 4.4463 4.4463 4.4633 4.4633 8.7373 8.7373 9.1473 9.1473 10.3647 10.3647 11.1194 11.1194 k = 0.2716 0.8060 0.7688 ( 4568 PWs) bands (ev): -11.7768 -11.7768 -11.7743 -11.7743 -11.7486 -11.7486 -11.7461 -11.7461 -9.2721 -9.2721 -9.2709 -9.2709 -9.2007 -9.2007 -9.1892 -9.1892 -9.1736 -9.1736 -9.1636 -9.1636 -5.3599 -5.3599 -5.3593 -5.3593 -0.9861 -0.9861 -0.9838 -0.9838 1.9561 1.9561 1.9969 1.9969 3.4759 3.4759 3.5425 3.5425 4.4326 4.4326 4.4434 4.4434 8.7980 8.7980 9.1980 9.1980 10.3753 10.3753 11.1083 11.1083 k = 0.2648 0.7859 0.7688 ( 4560 PWs) bands (ev): -11.7767 -11.7767 -11.7745 -11.7745 -11.7486 -11.7486 -11.7462 -11.7462 -9.2720 -9.2720 -9.2718 -9.2718 -9.2003 -9.2003 -9.1896 -9.1896 -9.1733 -9.1733 -9.1635 -9.1635 -5.3573 -5.3573 -5.3565 -5.3565 -0.9720 -0.9720 -0.9700 -0.9700 1.9392 1.9392 1.9823 1.9823 3.4523 3.4523 3.5174 3.5174 4.4182 4.4182 4.4232 4.4232 8.8565 8.8565 9.2452 9.2452 10.3816 10.3816 11.0923 11.0923 k = 0.2580 0.7657 0.7688 ( 4568 PWs) bands (ev): -11.7766 -11.7766 -11.7746 -11.7746 -11.7485 -11.7485 -11.7463 -11.7463 -9.2725 -9.2725 -9.2718 -9.2718 -9.1999 -9.1999 -9.1901 -9.1901 -9.1731 -9.1731 -9.1635 -9.1635 -5.3557 -5.3557 -5.3549 -5.3549 -0.9609 -0.9609 -0.9593 -0.9593 1.9289 1.9289 1.9744 1.9744 3.4346 3.4346 3.4985 3.4985 4.4026 4.4026 4.4033 4.4033 8.9125 8.9125 9.2885 9.2885 10.3838 10.3838 11.0724 11.0724 k = 0.2512 0.7456 0.7688 ( 4564 PWs) bands (ev): -11.7764 -11.7764 -11.7748 -11.7748 -11.7484 -11.7484 -11.7464 -11.7464 -9.2731 -9.2731 -9.2714 -9.2714 -9.1995 -9.1995 -9.1906 -9.1906 -9.1730 -9.1730 -9.1635 -9.1635 -5.3554 -5.3554 -5.3545 -5.3545 -0.9531 -0.9531 -0.9519 -0.9519 1.9252 1.9252 1.9733 1.9733 3.4230 3.4230 3.4860 3.4860 4.3817 4.3817 4.3878 4.3878 8.9657 8.9657 9.3275 9.3275 10.3825 10.3825 11.0494 11.0494 k = 0.2444 0.7254 0.7688 ( 4564 PWs) bands (ev): -11.7763 -11.7763 -11.7749 -11.7749 -11.7483 -11.7483 -11.7465 -11.7465 -9.2736 -9.2736 -9.2709 -9.2709 -9.1991 -9.1991 -9.1910 -9.1910 -9.1729 -9.1729 -9.1636 -9.1636 -5.3563 -5.3563 -5.3553 -5.3553 -0.9486 -0.9486 -0.9477 -0.9477 1.9283 1.9283 1.9789 1.9789 3.4177 3.4177 3.4799 3.4799 4.3605 4.3605 4.3719 4.3719 9.0157 9.0157 9.3615 9.3615 10.3781 10.3781 11.0237 11.0237 k = 0.2376 0.7053 0.7688 ( 4564 PWs) bands (ev): -11.7761 -11.7761 -11.7750 -11.7750 -11.7483 -11.7483 -11.7466 -11.7466 -9.2739 -9.2739 -9.2703 -9.2703 -9.1987 -9.1987 -9.1915 -9.1915 -9.1728 -9.1728 -9.1638 -9.1638 -5.3584 -5.3584 -5.3573 -5.3573 -0.9474 -0.9474 -0.9469 -0.9469 1.9379 1.9379 1.9913 1.9913 3.4187 3.4187 3.4802 3.4802 4.3391 4.3391 4.3557 4.3557 9.0621 9.0621 9.3901 9.3901 10.3708 10.3708 10.9957 10.9957 k = 0.2309 0.6851 0.7688 ( 4556 PWs) bands (ev): -11.7759 -11.7759 -11.7751 -11.7751 -11.7482 -11.7482 -11.7467 -11.7467 -9.2741 -9.2741 -9.2695 -9.2695 -9.1983 -9.1983 -9.1921 -9.1921 -9.1728 -9.1728 -9.1640 -9.1640 -5.3617 -5.3617 -5.3605 -5.3605 -0.9496 -0.9496 -0.9494 -0.9494 1.9541 1.9541 2.0103 2.0103 3.4259 3.4259 3.4869 3.4869 4.3175 4.3175 4.3392 4.3392 9.1046 9.1046 9.4126 9.4126 10.3613 10.3613 10.9653 10.9653 k = 0.2241 0.6650 0.7688 ( 4548 PWs) bands (ev): -11.7756 -11.7756 -11.7752 -11.7752 -11.7482 -11.7482 -11.7469 -11.7469 -9.2742 -9.2742 -9.2686 -9.2686 -9.1979 -9.1979 -9.1926 -9.1926 -9.1728 -9.1728 -9.1643 -9.1643 -5.3662 -5.3662 -5.3649 -5.3649 -0.9551 -0.9551 -0.9549 -0.9549 1.9767 1.9767 2.0357 2.0357 3.4394 3.4394 3.4999 3.4999 4.2959 4.2959 4.3227 4.3227 9.1426 9.1426 9.4283 9.4283 10.3497 10.3497 10.9329 10.9329 k = 0.2173 0.6448 0.7688 ( 4544 PWs) bands (ev): -11.7754 -11.7754 -11.7752 -11.7752 -11.7482 -11.7482 -11.7470 -11.7470 -9.2742 -9.2742 -9.2676 -9.2676 -9.1974 -9.1974 -9.1931 -9.1931 -9.1728 -9.1728 -9.1646 -9.1646 -5.3718 -5.3718 -5.3704 -5.3704 -0.9637 -0.9637 -0.9632 -0.9632 2.0054 2.0054 2.0674 2.0674 3.4590 3.4590 3.5191 3.5191 4.2742 4.2742 4.3062 4.3062 9.1755 9.1755 9.4368 9.4368 10.3365 10.3365 10.8985 10.8985 k = 0.2105 0.6247 0.7688 ( 4544 PWs) bands (ev): -11.7752 -11.7752 -11.7751 -11.7751 -11.7482 -11.7482 -11.7472 -11.7472 -9.2741 -9.2741 -9.2665 -9.2665 -9.1970 -9.1970 -9.1937 -9.1937 -9.1729 -9.1729 -9.1650 -9.1650 -5.3784 -5.3784 -5.3770 -5.3770 -0.9752 -0.9752 -0.9745 -0.9745 2.0401 2.0401 2.1051 2.1051 3.4847 3.4847 3.5444 3.5444 4.2528 4.2528 4.2900 4.2900 9.2027 9.2027 9.4372 9.4372 10.3219 10.3219 10.8623 10.8623 k = 0.2037 0.6045 0.7688 ( 4544 PWs) bands (ev): -11.7752 -11.7752 -11.7749 -11.7749 -11.7481 -11.7481 -11.7473 -11.7473 -9.2738 -9.2738 -9.2653 -9.2653 -9.1965 -9.1965 -9.1943 -9.1943 -9.1730 -9.1730 -9.1655 -9.1655 -5.3861 -5.3861 -5.3846 -5.3846 -0.9893 -0.9893 -0.9883 -0.9883 2.0804 2.0804 2.1486 2.1486 3.5161 3.5161 3.5754 3.5754 4.2317 4.2317 4.2743 4.2743 9.2235 9.2235 9.4291 9.4291 10.3062 10.3062 10.8248 10.8248 k = 0.1969 0.5844 0.7688 ( 4540 PWs) bands (ev): -11.7752 -11.7752 -11.7746 -11.7746 -11.7481 -11.7481 -11.7475 -11.7475 -9.2734 -9.2734 -9.2640 -9.2640 -9.1960 -9.1960 -9.1949 -9.1949 -9.1731 -9.1731 -9.1660 -9.1660 -5.3948 -5.3948 -5.3932 -5.3932 -1.0057 -1.0057 -1.0045 -1.0045 2.1261 2.1261 2.1975 2.1975 3.5531 3.5531 3.6118 3.6118 4.2113 4.2113 4.2595 4.2595 9.2369 9.2369 9.4121 9.4121 10.2894 10.2894 10.7862 10.7862 k = 0.1901 0.5642 0.7688 ( 4532 PWs) bands (ev): -11.7752 -11.7752 -11.7743 -11.7743 -11.7481 -11.7481 -11.7476 -11.7476 -9.2729 -9.2729 -9.2625 -9.2625 -9.1956 -9.1956 -9.1956 -9.1956 -9.1733 -9.1733 -9.1666 -9.1666 -5.4043 -5.4043 -5.4027 -5.4027 -1.0242 -1.0242 -1.0228 -1.0228 2.1768 2.1768 2.2516 2.2516 3.5953 3.5953 3.6533 3.6533 4.1917 4.1917 4.2458 4.2458 9.2422 9.2422 9.3858 9.3858 10.2714 10.2714 10.7472 10.7472 k = 0.1833 0.5441 0.7688 ( 4544 PWs) bands (ev): -11.7751 -11.7751 -11.7740 -11.7740 -11.7482 -11.7482 -11.7478 -11.7478 -9.2723 -9.2723 -9.2610 -9.2610 -9.1963 -9.1963 -9.1951 -9.1951 -9.1734 -9.1734 -9.1672 -9.1672 -5.4147 -5.4147 -5.4130 -5.4130 -1.0444 -1.0444 -1.0429 -1.0429 2.2322 2.2322 2.3105 2.3105 3.6420 3.6420 3.6991 3.6991 4.1736 4.1736 4.2340 4.2340 9.2384 9.2384 9.3501 9.3501 10.2519 10.2519 10.7084 10.7084 k = 0.1765 0.5239 0.7688 ( 4544 PWs) bands (ev): -11.7750 -11.7750 -11.7737 -11.7737 -11.7482 -11.7482 -11.7480 -11.7480 -9.2716 -9.2716 -9.2594 -9.2594 -9.1970 -9.1970 -9.1946 -9.1946 -9.1736 -9.1736 -9.1679 -9.1679 -5.4257 -5.4257 -5.4240 -5.4240 -1.0661 -1.0661 -1.0645 -1.0645 2.2918 2.2918 2.3739 2.3739 3.6924 3.6924 3.7484 3.7484 4.1576 4.1576 4.2248 4.2248 9.2248 9.2248 9.3050 9.3050 10.2305 10.2305 10.6704 10.6704 k = 0.1697 0.5038 0.7688 ( 4544 PWs) bands (ev): -11.7749 -11.7749 -11.7734 -11.7734 -11.7482 -11.7482 -11.7481 -11.7481 -9.2708 -9.2708 -9.2577 -9.2577 -9.1977 -9.1977 -9.1941 -9.1941 -9.1738 -9.1738 -9.1686 -9.1686 -5.4375 -5.4375 -5.4357 -5.4357 -1.0891 -1.0891 -1.0873 -1.0873 2.3554 2.3554 2.4415 2.4415 3.7452 3.7452 3.7998 3.7998 4.1449 4.1449 4.2195 4.2195 9.2005 9.2005 9.2509 9.2509 10.2065 10.2065 10.6336 10.6336 k = 0.1630 0.4836 0.7688 ( 4532 PWs) bands (ev): -11.7748 -11.7748 -11.7730 -11.7730 -11.7483 -11.7483 -11.7482 -11.7482 -9.2698 -9.2698 -9.2560 -9.2560 -9.1985 -9.1985 -9.1935 -9.1935 -9.1739 -9.1739 -9.1693 -9.1693 -5.4498 -5.4498 -5.4479 -5.4479 -1.1129 -1.1129 -1.1112 -1.1112 2.4225 2.4225 2.5128 2.5128 3.7982 3.7982 3.8513 3.8513 4.1377 4.1377 4.2200 4.2200 9.1652 9.1652 9.1881 9.1881 10.1792 10.1792 10.5981 10.5981 k = 0.1562 0.4635 0.7688 ( 4532 PWs) bands (ev): -11.7747 -11.7747 -11.7727 -11.7727 -11.7485 -11.7485 -11.7483 -11.7483 -9.2688 -9.2688 -9.2542 -9.2542 -9.1993 -9.1993 -9.1930 -9.1930 -9.1741 -9.1741 -9.1701 -9.1701 -5.4625 -5.4625 -5.4606 -5.4606 -1.1375 -1.1375 -1.1357 -1.1357 2.4927 2.4927 2.5876 2.5876 3.8475 3.8475 3.8998 3.8998 4.1396 4.1396 4.2294 4.2294 9.1170 9.1170 9.1185 9.1185 10.1479 10.1479 10.5632 10.5632 k = 0.1494 0.4433 0.7688 ( 4528 PWs) bands (ev): -11.7745 -11.7745 -11.7724 -11.7724 -11.7487 -11.7487 -11.7483 -11.7483 -9.2678 -9.2678 -9.2523 -9.2523 -9.2001 -9.2001 -9.1925 -9.1925 -9.1743 -9.1743 -9.1709 -9.1709 -5.4756 -5.4756 -5.4737 -5.4737 -1.1625 -1.1625 -1.1606 -1.1606 2.5656 2.5656 2.6654 2.6654 3.8878 3.8878 3.9416 3.9416 4.1559 4.1559 4.2512 4.2512 9.0383 9.0383 9.0608 9.0608 10.1119 10.1119 10.5270 10.5270 k = 0.1426 0.4232 0.7688 ( 4528 PWs) bands (ev): -11.7743 -11.7743 -11.7721 -11.7721 -11.7488 -11.7488 -11.7484 -11.7484 -9.2666 -9.2666 -9.2504 -9.2504 -9.2010 -9.2010 -9.1920 -9.1920 -9.1744 -9.1744 -9.1717 -9.1717 -5.4890 -5.4890 -5.4870 -5.4870 -1.1877 -1.1877 -1.1858 -1.1858 2.6405 2.6405 2.7457 2.7457 3.9142 3.9142 3.9737 3.9737 4.1913 4.1913 4.2884 4.2884 8.9527 8.9527 8.9925 8.9925 10.0706 10.0706 10.4855 10.4855 k = 0.1358 0.4030 0.7688 ( 4534 PWs) bands (ev): -11.7741 -11.7741 -11.7718 -11.7718 -11.7490 -11.7490 -11.7485 -11.7485 -9.2654 -9.2654 -9.2485 -9.2485 -9.2019 -9.2019 -9.1916 -9.1916 -9.1746 -9.1746 -9.1725 -9.1725 -5.5025 -5.5025 -5.5006 -5.5006 -1.2128 -1.2128 -1.2110 -1.2110 2.7171 2.7171 2.8282 2.8282 3.9272 3.9272 3.9959 3.9959 4.2452 4.2452 4.3411 4.3411 8.8610 8.8610 8.9146 8.9146 10.0235 10.0235 10.4335 10.4335 k = 0.1290 0.3829 0.7688 ( 4540 PWs) bands (ev): -11.7739 -11.7739 -11.7715 -11.7715 -11.7492 -11.7492 -11.7485 -11.7485 -9.2641 -9.2641 -9.2465 -9.2465 -9.2028 -9.2028 -9.1912 -9.1912 -9.1747 -9.1747 -9.1734 -9.1734 -5.5161 -5.5161 -5.5141 -5.5141 -1.2378 -1.2378 -1.2361 -1.2361 2.7946 2.7946 2.9121 2.9121 3.9314 3.9314 4.0111 4.0111 4.3128 4.3128 4.4064 4.4064 8.7639 8.7639 8.8282 8.8282 9.9704 9.9704 10.3675 10.3675 k = 0.1222 0.3627 0.7688 ( 4532 PWs) bands (ev): -11.7737 -11.7737 -11.7712 -11.7712 -11.7493 -11.7493 -11.7486 -11.7486 -9.2628 -9.2628 -9.2446 -9.2446 -9.2038 -9.2038 -9.1908 -9.1908 -9.1748 -9.1748 -9.1742 -9.1742 -5.5296 -5.5296 -5.5277 -5.5277 -1.2624 -1.2624 -1.2607 -1.2607 2.8723 2.8723 2.9966 2.9966 3.9319 3.9319 4.0228 4.0228 4.3894 4.3894 4.4809 4.4809 8.6623 8.6623 8.7345 8.7345 9.9114 9.9114 10.2883 10.2883 k = 0.1154 0.3426 0.7688 ( 4536 PWs) bands (ev): -11.7735 -11.7735 -11.7710 -11.7710 -11.7495 -11.7495 -11.7487 -11.7487 -9.2614 -9.2614 -9.2427 -9.2427 -9.2047 -9.2047 -9.1905 -9.1905 -9.1749 -9.1749 -9.1749 -9.1749 -5.5430 -5.5430 -5.5411 -5.5411 -1.2864 -1.2864 -1.2848 -1.2848 2.9494 2.9494 3.0809 3.0809 3.9320 3.9320 4.0340 4.0340 4.4718 4.4718 4.5616 4.5616 8.5571 8.5571 8.6348 8.6348 9.8468 9.8468 10.1995 10.1995 k = 0.1086 0.3224 0.7688 ( 4530 PWs) bands (ev): -11.7733 -11.7733 -11.7707 -11.7707 -11.7496 -11.7496 -11.7488 -11.7488 -9.2599 -9.2599 -9.2408 -9.2408 -9.2057 -9.2057 -9.1903 -9.1903 -9.1756 -9.1756 -9.1749 -9.1749 -5.5562 -5.5562 -5.5544 -5.5544 -1.3098 -1.3098 -1.3082 -1.3082 3.0247 3.0247 3.1634 3.1634 3.9344 3.9344 4.0472 4.0472 4.5577 4.5577 4.6462 4.6462 8.4494 8.4494 8.5307 8.5307 9.7769 9.7769 10.1042 10.1042 k = 0.1018 0.3023 0.7688 ( 4534 PWs) bands (ev): -11.7730 -11.7730 -11.7705 -11.7705 -11.7497 -11.7497 -11.7488 -11.7488 -9.2585 -9.2585 -9.2390 -9.2390 -9.2066 -9.2066 -9.1902 -9.1902 -9.1762 -9.1762 -9.1750 -9.1750 -5.5691 -5.5691 -5.5673 -5.5673 -1.3323 -1.3323 -1.3308 -1.3308 3.0971 3.0971 3.2426 3.2426 3.9416 3.9416 4.0640 4.0640 4.6455 4.6455 4.7332 4.7332 8.3400 8.3400 8.4234 8.4234 9.7024 9.7024 10.0045 10.0045 k = 0.0951 0.2821 0.7688 ( 4522 PWs) bands (ev): -11.7728 -11.7728 -11.7703 -11.7703 -11.7498 -11.7498 -11.7489 -11.7489 -9.2570 -9.2570 -9.2372 -9.2372 -9.2075 -9.2075 -9.1902 -9.1902 -9.1767 -9.1767 -9.1750 -9.1750 -5.5816 -5.5816 -5.5798 -5.5798 -1.3538 -1.3538 -1.3524 -1.3524 3.1655 3.1655 3.3161 3.3161 3.9559 3.9559 4.0862 4.0862 4.7341 4.7341 4.8210 4.8210 8.2301 8.2301 8.3143 8.3143 9.6239 9.6239 9.9018 9.9018 k = 0.0883 0.2620 0.7688 ( 4518 PWs) bands (ev): -11.7726 -11.7726 -11.7701 -11.7701 -11.7499 -11.7499 -11.7490 -11.7490 -9.2554 -9.2554 -9.2355 -9.2355 -9.2084 -9.2084 -9.1904 -9.1904 -9.1771 -9.1771 -9.1750 -9.1750 -5.5936 -5.5936 -5.5919 -5.5919 -1.3743 -1.3743 -1.3730 -1.3730 3.2284 3.2284 3.3812 3.3812 3.9801 3.9801 4.1151 4.1151 4.8221 4.8221 4.9082 4.9082 8.1209 8.1209 8.2049 8.2049 9.5424 9.5424 9.7970 9.7970 k = 0.0815 0.2418 0.7688 ( 4526 PWs) bands (ev): -11.7723 -11.7723 -11.7699 -11.7699 -11.7500 -11.7500 -11.7491 -11.7491 -9.2539 -9.2539 -9.2340 -9.2340 -9.2092 -9.2092 -9.1908 -9.1908 -9.1774 -9.1774 -9.1750 -9.1750 -5.6050 -5.6050 -5.6034 -5.6034 -1.3936 -1.3936 -1.3924 -1.3924 3.2849 3.2849 3.4356 3.4356 4.0164 4.0164 4.1517 4.1517 4.9084 4.9084 4.9936 4.9936 8.0135 8.0135 8.0965 8.0965 9.4586 9.4586 9.6911 9.6911 k = 0.0747 0.2217 0.7688 ( 4530 PWs) bands (ev): -11.7721 -11.7721 -11.7698 -11.7698 -11.7501 -11.7501 -11.7492 -11.7492 -9.2523 -9.2523 -9.2326 -9.2326 -9.2099 -9.2099 -9.1913 -9.1913 -9.1775 -9.1775 -9.1750 -9.1750 -5.6158 -5.6158 -5.6143 -5.6143 -1.4117 -1.4117 -1.4105 -1.4105 3.3341 3.3341 3.4778 3.4778 4.0659 4.0659 4.1963 4.1963 4.9916 4.9916 5.0755 5.0755 7.9095 7.9095 7.9905 7.9905 9.3735 9.3735 9.5850 9.5850 k = 0.0679 0.2015 0.7688 ( 4526 PWs) bands (ev): -11.7719 -11.7719 -11.7697 -11.7697 -11.7502 -11.7502 -11.7493 -11.7493 -9.2507 -9.2507 -9.2315 -9.2315 -9.2104 -9.2104 -9.1920 -9.1920 -9.1775 -9.1775 -9.1750 -9.1750 -5.6259 -5.6259 -5.6245 -5.6245 -1.4284 -1.4284 -1.4274 -1.4274 3.3757 3.3757 3.5082 3.5082 4.1278 4.1278 4.2489 4.2489 5.0704 5.0704 5.1525 5.1525 7.8103 7.8103 7.8885 7.8885 9.2883 9.2883 9.4797 9.4797 k = 0.0611 0.1814 0.7688 ( 4530 PWs) bands (ev): -11.7716 -11.7716 -11.7696 -11.7696 -11.7502 -11.7502 -11.7494 -11.7494 -9.2492 -9.2492 -9.2306 -9.2306 -9.2107 -9.2107 -9.1928 -9.1928 -9.1774 -9.1774 -9.1750 -9.1750 -5.6352 -5.6352 -5.6339 -5.6339 -1.4437 -1.4437 -1.4428 -1.4428 3.4102 3.4102 3.5285 3.5285 4.1997 4.1997 4.3085 4.3085 5.1433 5.1433 5.2229 5.2229 7.7174 7.7174 7.7921 7.7921 9.2040 9.2040 9.3760 9.3760 k = 0.0543 0.1612 0.7688 ( 4518 PWs) bands (ev): -11.7714 -11.7714 -11.7695 -11.7695 -11.7502 -11.7502 -11.7495 -11.7495 -9.2476 -9.2476 -9.2301 -9.2301 -9.2108 -9.2108 -9.1938 -9.1938 -9.1772 -9.1772 -9.1750 -9.1750 -5.6437 -5.6437 -5.6425 -5.6425 -1.4576 -1.4576 -1.4567 -1.4567 3.4382 3.4382 3.5411 3.5411 4.2787 4.2787 4.3738 4.3738 5.2088 5.2088 5.2848 5.2848 7.6325 7.6325 7.7026 7.7026 9.1221 9.1221 9.2752 9.2752 k = 0.0475 0.1411 0.7688 ( 4518 PWs) bands (ev): -11.7712 -11.7712 -11.7695 -11.7695 -11.7503 -11.7503 -11.7496 -11.7496 -9.2460 -9.2460 -9.2299 -9.2299 -9.2105 -9.2105 -9.1948 -9.1948 -9.1770 -9.1770 -9.1750 -9.1750 -5.6513 -5.6513 -5.6503 -5.6503 -1.4699 -1.4699 -1.4692 -1.4692 3.4606 3.4606 3.5481 3.5481 4.3614 4.3614 4.4426 4.4426 5.2654 5.2654 5.3367 5.3367 7.5572 7.5572 7.6217 7.6217 9.0441 9.0441 9.1787 9.1787 k = 0.0407 0.1209 0.7688 ( 4510 PWs) bands (ev): -11.7709 -11.7709 -11.7695 -11.7695 -11.7503 -11.7503 -11.7496 -11.7496 -9.2444 -9.2444 -9.2300 -9.2300 -9.2100 -9.2100 -9.1959 -9.1959 -9.1768 -9.1768 -9.1750 -9.1750 -5.6580 -5.6580 -5.6571 -5.6571 -1.4807 -1.4807 -1.4801 -1.4801 3.4785 3.4785 3.5512 3.5512 4.4449 4.4449 4.5126 4.5126 5.3120 5.3120 5.3770 5.3770 7.4929 7.4929 7.5506 7.5506 8.9718 8.9718 9.0879 9.0879 k = 0.0339 0.1008 0.7688 ( 4510 PWs) bands (ev): -11.7707 -11.7707 -11.7695 -11.7695 -11.7503 -11.7503 -11.7497 -11.7497 -9.2429 -9.2429 -9.2304 -9.2304 -9.2093 -9.2093 -9.1971 -9.1971 -9.1765 -9.1765 -9.1750 -9.1750 -5.6637 -5.6637 -5.6629 -5.6629 -1.4899 -1.4899 -1.4893 -1.4893 3.4928 3.4928 3.5516 3.5516 4.5261 4.5261 4.5811 4.5811 5.3479 5.3479 5.4051 5.4051 7.4406 7.4406 7.4903 7.4903 8.9069 8.9069 9.0045 9.0045 k = 0.0272 0.0806 0.7688 ( 4514 PWs) bands (ev): -11.7705 -11.7705 -11.7695 -11.7695 -11.7503 -11.7503 -11.7498 -11.7498 -9.2414 -9.2414 -9.2311 -9.2311 -9.2084 -9.2084 -9.1984 -9.1984 -9.1763 -9.1763 -9.1750 -9.1750 -5.6684 -5.6684 -5.6678 -5.6678 -1.4974 -1.4974 -1.4970 -1.4970 3.5044 3.5044 3.5502 3.5502 4.6020 4.6020 4.6450 4.6450 5.3733 5.3733 5.4212 5.4212 7.4004 7.4004 7.4412 7.4412 8.8516 8.8516 8.9305 8.9305 k = 0.0204 0.0605 0.7688 ( 4514 PWs) bands (ev): -11.7704 -11.7704 -11.7696 -11.7696 -11.7502 -11.7502 -11.7499 -11.7499 -9.2399 -9.2399 -9.2320 -9.2320 -9.2073 -9.2073 -9.1996 -9.1996 -9.1760 -9.1760 -9.1751 -9.1751 -5.6721 -5.6721 -5.6716 -5.6716 -1.5033 -1.5033 -1.5030 -1.5030 3.5139 3.5139 3.5475 3.5475 4.6689 4.6689 4.7005 4.7005 5.3895 5.3895 5.4267 5.4267 7.3722 7.3722 7.4032 7.4032 8.8080 8.8080 8.8677 8.8677 k = 0.0136 0.0403 0.7688 ( 4510 PWs) bands (ev): -11.7702 -11.7702 -11.7697 -11.7697 -11.7502 -11.7502 -11.7500 -11.7500 -9.2384 -9.2384 -9.2331 -9.2331 -9.2061 -9.2061 -9.2009 -9.2009 -9.1758 -9.1758 -9.1752 -9.1752 -5.6747 -5.6747 -5.6744 -5.6744 -1.5075 -1.5075 -1.5073 -1.5073 3.5218 3.5218 3.5439 3.5439 4.7229 4.7229 4.7436 4.7436 5.3991 5.3991 5.4245 5.4245 7.3548 7.3548 7.3756 7.3756 8.7781 8.7781 8.8182 8.8182 k = 0.0068 0.0202 0.7688 ( 4502 PWs) bands (ev): -11.7700 -11.7700 -11.7698 -11.7698 -11.7501 -11.7501 -11.7500 -11.7500 -9.2370 -9.2370 -9.2343 -9.2343 -9.2048 -9.2048 -9.2022 -9.2022 -9.1756 -9.1756 -9.1753 -9.1753 -5.6762 -5.6762 -5.6761 -5.6761 -1.5100 -1.5100 -1.5099 -1.5099 3.5286 3.5286 3.5395 3.5395 4.7596 4.7596 4.7699 4.7699 5.4055 5.4055 5.4183 5.4183 7.3471 7.3471 7.3575 7.3575 8.7635 8.7635 8.7837 8.7837 k = 0.0000 0.0000 0.7688 ( 4510 PWs) bands (ev): -11.7699 -11.7699 -11.7699 -11.7699 -11.7501 -11.7501 -11.7501 -11.7501 -9.2356 -9.2356 -9.2356 -9.2356 -9.2035 -9.2035 -9.2035 -9.2035 -9.1754 -9.1754 -9.1754 -9.1754 -5.6767 -5.6767 -5.6767 -5.6767 -1.5108 -1.5108 -1.5108 -1.5108 3.5344 3.5344 3.5344 3.5344 4.7757 4.7757 4.7757 4.7757 5.4115 5.4115 5.4115 5.4115 7.3481 7.3481 7.3481 7.3481 8.7652 8.7652 8.7652 8.7652 k = 0.0000 0.0000 0.7688 ( 4510 PWs) bands (ev): -11.7699 -11.7699 -11.7699 -11.7699 -11.7501 -11.7501 -11.7501 -11.7501 -9.2356 -9.2356 -9.2356 -9.2356 -9.2035 -9.2035 -9.2035 -9.2035 -9.1754 -9.1754 -9.1754 -9.1754 -5.6767 -5.6767 -5.6767 -5.6767 -1.5108 -1.5108 -1.5108 -1.5108 3.5344 3.5344 3.5344 3.5344 4.7757 4.7757 4.7757 4.7757 5.4115 5.4115 5.4115 5.4115 7.3481 7.3481 7.3481 7.3481 8.7652 8.7652 8.7652 8.7652 k = 0.0000 0.0000 0.7474 ( 4506 PWs) bands (ev): -11.7700 -11.7700 -11.7698 -11.7698 -11.7502 -11.7502 -11.7500 -11.7500 -9.2365 -9.2365 -9.2347 -9.2347 -9.2041 -9.2041 -9.2030 -9.2030 -9.1762 -9.1762 -9.1747 -9.1747 -5.7157 -5.7157 -5.6384 -5.6384 -1.5404 -1.5404 -1.4782 -1.4782 3.4786 3.4786 3.5893 3.5893 4.7383 4.7383 4.8100 4.8100 5.3656 5.3656 5.4535 5.4535 7.3041 7.3041 7.4005 7.4005 8.7344 8.7344 8.8036 8.8036 k = 0.0000 0.0000 0.7260 ( 4502 PWs) bands (ev): -11.7701 -11.7701 -11.7697 -11.7697 -11.7503 -11.7503 -11.7500 -11.7500 -9.2375 -9.2375 -9.2338 -9.2338 -9.2047 -9.2047 -9.2025 -9.2025 -9.1770 -9.1770 -9.1739 -9.1739 -5.7552 -5.7552 -5.6008 -5.6008 -1.5669 -1.5669 -1.4428 -1.4428 3.4221 3.4221 3.6427 3.6427 4.6981 4.6981 4.8409 4.8409 5.3173 5.3173 5.4905 5.4905 7.2694 7.2694 7.4603 7.4603 8.7115 8.7115 8.8491 8.8491 k = 0.0000 0.0000 0.7047 ( 4502 PWs) bands (ev): -11.7703 -11.7703 -11.7695 -11.7695 -11.7504 -11.7504 -11.7499 -11.7499 -9.2384 -9.2384 -9.2330 -9.2330 -9.2053 -9.2053 -9.2020 -9.2020 -9.1777 -9.1777 -9.1730 -9.1730 -5.7951 -5.7951 -5.5642 -5.5642 -1.5902 -1.5902 -1.4048 -1.4048 3.3654 3.3654 3.6941 3.6941 4.6557 4.6557 4.8680 4.8680 5.2677 5.2677 5.5213 5.5213 7.2452 7.2452 7.5265 7.5265 8.6967 8.6967 8.9013 8.9013 k = 0.0000 0.0000 0.6833 ( 4502 PWs) bands (ev): -11.7704 -11.7704 -11.7694 -11.7694 -11.7506 -11.7506 -11.7499 -11.7499 -9.2394 -9.2394 -9.2322 -9.2322 -9.2059 -9.2059 -9.2016 -9.2016 -9.1784 -9.1784 -9.1722 -9.1722 -5.8351 -5.8351 -5.5287 -5.5287 -1.6102 -1.6102 -1.3642 -1.3642 3.3087 3.3087 3.7429 3.7429 4.6113 4.6113 4.8910 4.8910 5.2179 5.2179 5.5446 5.5446 7.2322 7.2322 7.5983 7.5983 8.6904 8.6904 8.9597 8.9597 k = 0.0000 0.0000 0.6620 ( 4512 PWs) bands (ev): -11.7705 -11.7705 -11.7693 -11.7693 -11.7507 -11.7507 -11.7499 -11.7499 -9.2405 -9.2405 -9.2314 -9.2314 -9.2065 -9.2065 -9.2012 -9.2012 -9.1791 -9.1791 -9.1714 -9.1714 -5.8753 -5.8753 -5.4943 -5.4943 -1.6269 -1.6269 -1.3213 -1.3213 3.2523 3.2523 3.7884 3.7884 4.5655 4.5655 4.9099 4.9099 5.1693 5.1693 5.5599 5.5599 7.2312 7.2312 7.6750 7.6750 8.6927 8.6927 9.0240 9.0240 k = 0.0000 0.0000 0.6406 ( 4508 PWs) bands (ev): -11.7706 -11.7706 -11.7692 -11.7692 -11.7509 -11.7509 -11.7499 -11.7499 -9.2415 -9.2415 -9.2306 -9.2306 -9.2071 -9.2071 -9.2009 -9.2009 -9.1798 -9.1798 -9.1705 -9.1705 -5.9155 -5.9155 -5.4613 -5.4613 -1.6401 -1.6401 -1.2763 -1.2763 3.1964 3.1964 3.8295 3.8295 4.5189 4.5189 4.9244 4.9244 5.1232 5.1232 5.5666 5.5666 7.2423 7.2423 7.7560 7.7560 8.7036 8.7036 9.0936 9.0936 k = 0.0000 0.0000 0.6193 ( 4504 PWs) bands (ev): -11.7708 -11.7708 -11.7691 -11.7691 -11.7511 -11.7511 -11.7499 -11.7499 -9.2426 -9.2426 -9.2299 -9.2299 -9.2077 -9.2077 -9.2006 -9.2006 -9.1805 -9.1805 -9.1697 -9.1697 -5.9554 -5.9554 -5.4297 -5.4297 -1.6498 -1.6498 -1.2292 -1.2292 3.1411 3.1411 3.8653 3.8653 4.4718 4.4718 4.9343 4.9343 5.0809 5.0809 5.5647 5.5647 7.2654 7.2654 7.8408 7.8408 8.7233 8.7233 9.1681 9.1681 k = 0.0000 0.0000 0.5979 ( 4516 PWs) bands (ev): -11.7709 -11.7709 -11.7690 -11.7690 -11.7513 -11.7513 -11.7499 -11.7499 -9.2438 -9.2438 -9.2291 -9.2291 -9.2083 -9.2083 -9.2004 -9.2004 -9.1811 -9.1811 -9.1688 -9.1688 -5.9950 -5.9950 -5.3996 -5.3996 -1.6561 -1.6561 -1.1804 -1.1804 3.0867 3.0867 3.8945 3.8945 4.4250 4.4250 4.9387 4.9387 5.0444 5.0444 5.5548 5.5548 7.2998 7.2998 7.9288 7.9288 8.7515 8.7515 9.2469 9.2469 k = 0.0000 0.0000 0.5766 ( 4520 PWs) bands (ev): -11.7710 -11.7710 -11.7688 -11.7688 -11.7515 -11.7515 -11.7500 -11.7500 -9.2449 -9.2449 -9.2284 -9.2284 -9.2088 -9.2088 -9.2002 -9.2002 -9.1817 -9.1817 -9.1679 -9.1679 -6.0343 -6.0343 -5.3711 -5.3711 -1.6589 -1.6589 -1.1300 -1.1300 3.0333 3.0333 3.9161 3.9161 4.3788 4.3788 4.9361 4.9361 5.0167 5.0167 5.5375 5.5375 7.3448 7.3448 8.0197 8.0197 8.7883 8.7883 9.3296 9.3296 k = 0.0000 0.0000 0.5552 ( 4524 PWs) bands (ev): -11.7711 -11.7711 -11.7687 -11.7687 -11.7517 -11.7517 -11.7500 -11.7500 -9.2461 -9.2461 -9.2277 -9.2277 -9.2094 -9.2094 -9.2001 -9.2001 -9.1823 -9.1823 -9.1671 -9.1671 -6.0729 -6.0729 -5.3443 -5.3443 -1.6582 -1.6582 -1.0783 -1.0783 2.9811 2.9811 3.9288 3.9288 4.3339 4.3339 4.9253 4.9253 5.0002 5.0002 5.5138 5.5138 7.3990 7.3990 8.1132 8.1132 8.8332 8.8332 9.4156 9.4156 k = 0.0000 0.0000 0.5339 ( 4520 PWs) bands (ev): -11.7713 -11.7713 -11.7686 -11.7686 -11.7520 -11.7520 -11.7501 -11.7501 -9.2473 -9.2473 -9.2270 -9.2270 -9.2099 -9.2099 -9.2000 -9.2000 -9.1829 -9.1829 -9.1662 -9.1662 -6.1109 -6.1109 -5.3191 -5.3191 -1.6543 -1.6543 -1.0253 -1.0253 2.9302 2.9302 3.9318 3.9318 4.2905 4.2905 4.9086 4.9086 4.9935 4.9935 5.4849 5.4849 7.4614 7.4614 8.2088 8.2088 8.8861 8.8861 9.5044 9.5044 k = 0.0000 0.0000 0.5125 ( 4528 PWs) bands (ev): -11.7714 -11.7714 -11.7685 -11.7685 -11.7522 -11.7522 -11.7502 -11.7502 -9.2486 -9.2486 -9.2264 -9.2264 -9.2104 -9.2104 -9.2000 -9.2000 -9.1834 -9.1834 -9.1653 -9.1653 -6.1482 -6.1482 -5.2957 -5.2957 -1.6470 -1.6470 -0.9714 -0.9714 2.8806 2.8806 3.9250 3.9250 4.2489 4.2489 4.8901 4.8901 4.9931 4.9931 5.4518 5.4518 7.5305 7.5305 8.3062 8.3062 8.9466 8.9466 9.5953 9.5953 k = 0.0000 0.0000 0.4911 ( 4524 PWs) bands (ev): -11.7715 -11.7715 -11.7684 -11.7684 -11.7525 -11.7525 -11.7503 -11.7503 -9.2498 -9.2498 -9.2257 -9.2257 -9.2109 -9.2109 -9.2001 -9.2001 -9.1840 -9.1840 -9.1644 -9.1644 -6.1845 -6.1845 -5.2740 -5.2740 -1.6367 -1.6367 -0.9168 -0.9168 2.8326 2.8326 3.9088 3.9088 4.2088 4.2088 4.8718 4.8718 4.9972 4.9972 5.4157 5.4157 7.6054 7.6054 8.4051 8.4051 9.0143 9.0143 9.6877 9.6877 k = 0.0000 0.0000 0.4698 ( 4518 PWs) bands (ev): -11.7716 -11.7716 -11.7683 -11.7683 -11.7528 -11.7528 -11.7503 -11.7503 -9.2511 -9.2511 -9.2251 -9.2251 -9.2114 -9.2114 -9.2002 -9.2002 -9.1844 -9.1844 -9.1635 -9.1635 -6.2200 -6.2200 -5.2541 -5.2541 -1.6234 -1.6234 -0.8616 -0.8616 2.7861 2.7861 3.8846 3.8846 4.1699 4.1699 4.8536 4.8536 5.0052 5.0052 5.3776 5.3776 7.6847 7.6847 8.5051 8.5051 9.0888 9.0888 9.7808 9.7808 k = 0.0000 0.0000 0.4484 ( 4520 PWs) bands (ev): -11.7718 -11.7718 -11.7682 -11.7682 -11.7530 -11.7530 -11.7504 -11.7504 -9.2523 -9.2523 -9.2245 -9.2245 -9.2118 -9.2118 -9.2003 -9.2003 -9.1849 -9.1849 -9.1626 -9.1626 -6.2544 -6.2544 -5.2358 -5.2358 -1.6074 -1.6074 -0.8062 -0.8062 2.7414 2.7414 3.8539 3.8539 4.1317 4.1317 4.8349 4.8349 5.0169 5.0169 5.3387 5.3387 7.7676 7.7676 8.6060 8.6060 9.1697 9.1697 9.8736 9.8736 k = 0.0000 0.0000 0.4271 ( 4524 PWs) bands (ev): -11.7719 -11.7719 -11.7681 -11.7681 -11.7533 -11.7533 -11.7505 -11.7505 -9.2536 -9.2536 -9.2239 -9.2239 -9.2122 -9.2122 -9.2005 -9.2005 -9.1853 -9.1853 -9.1618 -9.1618 -6.2876 -6.2876 -5.2192 -5.2192 -1.5888 -1.5888 -0.7508 -0.7508 2.6984 2.6984 3.8184 3.8184 4.0939 4.0939 4.8152 4.8152 5.0311 5.0311 5.3004 5.3004 7.8531 7.8531 8.7072 8.7072 9.2565 9.2565 9.9650 9.9650 k = 0.0000 0.0000 0.4057 ( 4518 PWs) bands (ev): -11.7720 -11.7720 -11.7680 -11.7680 -11.7536 -11.7536 -11.7507 -11.7507 -9.2549 -9.2549 -9.2234 -9.2234 -9.2126 -9.2126 -9.2008 -9.2008 -9.1857 -9.1857 -9.1609 -9.1609 -6.3197 -6.3197 -5.2042 -5.2042 -1.5680 -1.5680 -0.6956 -0.6956 2.6573 2.6573 3.7797 3.7797 4.0563 4.0563 4.7944 4.7944 5.0457 5.0457 5.2647 5.2647 7.9404 7.9404 8.8084 8.8084 9.3489 9.3489 10.0537 10.0537 k = 0.0000 0.0000 0.3844 ( 4516 PWs) bands (ev): -11.7721 -11.7721 -11.7680 -11.7680 -11.7538 -11.7538 -11.7508 -11.7508 -9.2561 -9.2561 -9.2229 -9.2229 -9.2129 -9.2129 -9.2010 -9.2010 -9.1861 -9.1861 -9.1600 -9.1600 -6.3505 -6.3505 -5.1908 -5.1908 -1.5452 -1.5452 -0.6409 -0.6409 2.6180 2.6180 3.7389 3.7389 4.0192 4.0192 4.7724 4.7724 5.0567 5.0567 5.2353 5.2353 8.0287 8.0287 8.9091 8.9091 9.4463 9.4463 10.1382 10.1382 k = 0.0000 0.0000 0.3630 ( 4514 PWs) bands (ev): -11.7722 -11.7722 -11.7679 -11.7679 -11.7541 -11.7541 -11.7509 -11.7509 -9.2574 -9.2574 -9.2223 -9.2223 -9.2132 -9.2132 -9.2013 -9.2013 -9.1865 -9.1865 -9.1592 -9.1592 -6.3800 -6.3800 -5.1788 -5.1788 -1.5207 -1.5207 -0.5869 -0.5869 2.5807 2.5807 3.6971 3.6971 3.9825 3.9825 4.7494 4.7494 5.0581 5.0581 5.2177 5.2177 8.1173 8.1173 9.0087 9.0087 9.5483 9.5483 10.2165 10.2165 k = 0.0000 0.0000 0.3417 ( 4510 PWs) bands (ev): -11.7723 -11.7723 -11.7678 -11.7678 -11.7544 -11.7544 -11.7510 -11.7510 -9.2586 -9.2586 -9.2219 -9.2219 -9.2135 -9.2135 -9.2017 -9.2017 -9.1868 -9.1868 -9.1584 -9.1584 -6.4080 -6.4080 -5.1681 -5.1681 -1.4948 -1.4948 -0.5340 -0.5340 2.5455 2.5455 3.6550 3.6550 3.9466 3.9466 4.7257 4.7257 5.0454 5.0454 5.2162 5.2162 8.2055 8.2055 9.1067 9.1067 9.6544 9.6544 10.2870 10.2870 k = 0.0000 0.0000 0.3203 ( 4514 PWs) bands (ev): -11.7724 -11.7724 -11.7677 -11.7677 -11.7546 -11.7546 -11.7511 -11.7511 -9.2597 -9.2597 -9.2214 -9.2214 -9.2138 -9.2138 -9.2020 -9.2020 -9.1871 -9.1871 -9.1576 -9.1576 -6.4347 -6.4347 -5.1588 -5.1588 -1.4680 -1.4680 -0.4823 -0.4823 2.5123 2.5123 3.6132 3.6132 3.9117 3.9117 4.7015 4.7015 5.0209 5.0209 5.2280 5.2280 8.2926 8.2926 9.2024 9.2024 9.7640 9.7640 10.3484 10.3484 k = 0.0000 0.0000 0.2990 ( 4514 PWs) bands (ev): -11.7725 -11.7725 -11.7677 -11.7677 -11.7549 -11.7549 -11.7512 -11.7512 -9.2609 -9.2609 -9.2209 -9.2209 -9.2141 -9.2141 -9.2023 -9.2023 -9.1874 -9.1874 -9.1568 -9.1568 -6.4598 -6.4598 -5.1506 -5.1506 -1.4404 -1.4404 -0.4322 -0.4322 2.4812 2.4812 3.5722 3.5722 3.8781 3.8781 4.6771 4.6771 4.9904 4.9904 5.2471 5.2471 8.3781 8.3781 9.2951 9.2951 9.8765 9.8765 10.4002 10.4002 k = 0.0000 0.0000 0.2776 ( 4514 PWs) bands (ev): -11.7726 -11.7726 -11.7676 -11.7676 -11.7551 -11.7551 -11.7513 -11.7513 -9.2620 -9.2620 -9.2205 -9.2205 -9.2143 -9.2143 -9.2027 -9.2027 -9.1876 -9.1876 -9.1561 -9.1561 -6.4834 -6.4834 -5.1435 -5.1435 -1.4125 -1.4125 -0.3840 -0.3840 2.4522 2.4522 3.5323 3.5323 3.8461 3.8461 4.6528 4.6528 4.9579 4.9579 5.2693 5.2693 8.4614 8.4614 9.3840 9.3840 9.9912 9.9912 10.4432 10.4432 k = 0.0000 0.0000 0.2563 ( 4510 PWs) bands (ev): -11.7727 -11.7727 -11.7675 -11.7675 -11.7554 -11.7554 -11.7514 -11.7514 -9.2630 -9.2630 -9.2201 -9.2201 -9.2146 -9.2146 -9.2030 -9.2030 -9.1879 -9.1879 -9.1554 -9.1554 -6.5054 -6.5054 -5.1374 -5.1374 -1.3847 -1.3847 -0.3379 -0.3379 2.4254 2.4254 3.4940 3.4940 3.8158 3.8158 4.6287 4.6287 4.9254 4.9254 5.2925 5.2925 8.5418 8.5418 9.4683 9.4683 10.1072 10.1072 10.4790 10.4790 k = 0.0000 0.0000 0.2349 ( 4510 PWs) bands (ev): -11.7728 -11.7728 -11.7675 -11.7675 -11.7556 -11.7556 -11.7515 -11.7515 -9.2640 -9.2640 -9.2197 -9.2197 -9.2148 -9.2148 -9.2034 -9.2034 -9.1881 -9.1881 -9.1548 -9.1548 -6.5258 -6.5258 -5.1321 -5.1321 -1.3574 -1.3574 -0.2942 -0.2942 2.4007 2.4007 3.4575 3.4575 3.7875 3.7875 4.6052 4.6052 4.8940 4.8940 5.3155 5.3155 8.6187 8.6187 9.5471 9.5471 10.2236 10.2236 10.5097 10.5097 k = 0.0000 0.0000 0.2135 ( 4510 PWs) bands (ev): -11.7729 -11.7729 -11.7674 -11.7674 -11.7558 -11.7558 -11.7516 -11.7516 -9.2649 -9.2649 -9.2194 -9.2194 -9.2150 -9.2150 -9.2037 -9.2037 -9.1883 -9.1883 -9.1542 -9.1542 -6.5445 -6.5445 -5.1277 -5.1277 -1.3309 -1.3309 -0.2532 -0.2532 2.3782 2.3782 3.4232 3.4232 3.7612 3.7612 4.5825 4.5825 4.8644 4.8644 5.3376 5.3376 8.6916 8.6916 9.6195 9.6195 10.3390 10.3390 10.5375 10.5375 k = 0.0000 0.0000 0.1922 ( 4504 PWs) bands (ev): -11.7730 -11.7730 -11.7674 -11.7674 -11.7560 -11.7560 -11.7517 -11.7517 -9.2658 -9.2658 -9.2191 -9.2191 -9.2152 -9.2152 -9.2040 -9.2040 -9.1885 -9.1885 -9.1536 -9.1536 -6.5615 -6.5615 -5.1240 -5.1240 -1.3055 -1.3055 -0.2151 -0.2151 2.3579 2.3579 3.3913 3.3913 3.7371 3.7371 4.5608 4.5608 4.8371 4.8371 5.3582 5.3582 8.7599 8.7599 9.6848 9.6848 10.4514 10.4514 10.5644 10.5644 k = 0.0000 0.0000 0.1708 ( 4497 PWs) bands (ev): -11.7730 -11.7730 -11.7673 -11.7673 -11.7562 -11.7562 -11.7518 -11.7518 -9.2665 -9.2665 -9.2188 -9.2188 -9.2153 -9.2153 -9.2043 -9.2043 -9.1886 -9.1886 -9.1531 -9.1531 -6.5768 -6.5768 -5.1209 -5.1209 -1.2817 -1.2817 -0.1803 -0.1803 2.3398 2.3398 3.3619 3.3619 3.7153 3.7153 4.5404 4.5404 4.8122 4.8122 5.3772 5.3772 8.8230 8.8230 9.7425 9.7425 10.5552 10.5552 10.5953 10.5953 k = 0.0000 0.0000 0.1495 ( 4489 PWs) bands (ev): -11.7731 -11.7731 -11.7673 -11.7673 -11.7563 -11.7563 -11.7518 -11.7518 -9.2672 -9.2672 -9.2185 -9.2185 -9.2155 -9.2155 -9.2045 -9.2045 -9.1887 -9.1887 -9.1526 -9.1526 -6.5904 -6.5904 -5.1183 -5.1183 -1.2598 -1.2598 -0.1489 -0.1489 2.3239 2.3239 3.3355 3.3355 3.6959 3.6959 4.5216 4.5216 4.7901 4.7901 5.3943 5.3943 8.8803 8.8803 9.7921 9.7921 10.6086 10.6086 10.6701 10.6701 k = 0.0000 0.0000 0.1281 ( 4493 PWs) bands (ev): -11.7731 -11.7731 -11.7673 -11.7673 -11.7565 -11.7565 -11.7519 -11.7519 -9.2678 -9.2678 -9.2183 -9.2183 -9.2156 -9.2156 -9.2048 -9.2048 -9.1889 -9.1889 -9.1522 -9.1522 -6.6021 -6.6021 -5.1163 -5.1163 -1.2401 -1.2401 -0.1212 -0.1212 2.3101 2.3101 3.3121 3.3121 3.6789 3.6789 4.5047 4.5047 4.7707 4.7707 5.4093 5.4093 8.9314 8.9314 9.8337 9.8337 10.6366 10.6366 10.7616 10.7616 k = 0.0000 0.0000 0.1068 ( 4493 PWs) bands (ev): -11.7732 -11.7732 -11.7673 -11.7673 -11.7566 -11.7566 -11.7519 -11.7519 -9.2684 -9.2684 -9.2180 -9.2180 -9.2157 -9.2157 -9.2050 -9.2050 -9.1890 -9.1890 -9.1519 -9.1519 -6.6122 -6.6122 -5.1146 -5.1146 -1.2229 -1.2229 -0.0973 -0.0973 2.2985 2.2985 3.2920 3.2920 3.6645 3.6645 4.4898 4.4898 4.7543 4.7543 5.4221 5.4221 8.9757 8.9757 9.8674 9.8674 10.6625 10.6625 10.8430 10.8430 k = 0.0000 0.0000 0.0854 ( 4493 PWs) bands (ev): -11.7732 -11.7732 -11.7672 -11.7672 -11.7567 -11.7567 -11.7520 -11.7520 -9.2688 -9.2688 -9.2179 -9.2179 -9.2158 -9.2158 -9.2052 -9.2052 -9.1890 -9.1890 -9.1516 -9.1516 -6.6204 -6.6204 -5.1133 -5.1133 -1.2084 -1.2084 -0.0776 -0.0776 2.2891 2.2891 3.2753 3.2753 3.6526 3.6526 4.4773 4.4773 4.7408 4.7408 5.4327 5.4327 9.0126 9.0126 9.8938 9.8938 10.6868 10.6868 10.9108 10.9108 k = 0.0000 0.0000 0.0641 ( 4493 PWs) bands (ev): -11.7733 -11.7733 -11.7672 -11.7672 -11.7568 -11.7568 -11.7520 -11.7520 -9.2691 -9.2691 -9.2177 -9.2177 -9.2159 -9.2159 -9.2053 -9.2053 -9.1891 -9.1891 -9.1514 -9.1514 -6.6268 -6.6268 -5.1124 -5.1124 -1.1969 -1.1969 -0.0621 -0.0621 2.2817 2.2817 3.2621 3.2621 3.6433 3.6433 4.4674 4.4674 4.7303 4.7303 5.4409 5.4409 9.0418 9.0418 9.9134 9.9134 10.7083 10.7083 10.9633 10.9633 k = 0.0000 0.0000 0.0427 ( 4501 PWs) bands (ev): -11.7733 -11.7733 -11.7672 -11.7672 -11.7568 -11.7568 -11.7521 -11.7521 -9.2694 -9.2694 -9.2176 -9.2176 -9.2160 -9.2160 -9.2054 -9.2054 -9.1891 -9.1891 -9.1512 -9.1512 -6.6313 -6.6313 -5.1117 -5.1117 -1.1886 -1.1886 -0.0509 -0.0509 2.2765 2.2765 3.2527 3.2527 3.6367 3.6367 4.4601 4.4601 4.7228 4.7228 5.4469 5.4469 9.0630 9.0630 9.9269 9.9269 10.7255 10.7255 10.9996 10.9996 k = 0.0000 0.0000 0.0214 ( 4509 PWs) bands (ev): -11.7733 -11.7733 -11.7672 -11.7672 -11.7569 -11.7569 -11.7521 -11.7521 -9.2695 -9.2695 -9.2176 -9.2176 -9.2160 -9.2160 -9.2055 -9.2055 -9.1892 -9.1892 -9.1511 -9.1511 -6.6341 -6.6341 -5.1113 -5.1113 -1.1835 -1.1835 -0.0442 -0.0442 2.2733 2.2733 3.2469 3.2469 3.6327 3.6327 4.4557 4.4557 4.7183 4.7183 5.4504 5.4504 9.0758 9.0758 9.9348 9.9348 10.7369 10.7369 11.0158 11.0158 k = 0.0000 0.0000 0.0000 ( 4509 PWs) bands (ev): -11.7733 -11.7733 -11.7672 -11.7672 -11.7569 -11.7569 -11.7521 -11.7521 -9.2696 -9.2696 -9.2175 -9.2175 -9.2160 -9.2160 -9.2055 -9.2055 -9.1892 -9.1892 -9.1511 -9.1511 -6.6350 -6.6350 -5.1112 -5.1112 -1.1818 -1.1818 -0.0419 -0.0419 2.2723 2.2723 3.2450 3.2450 3.6314 3.6314 4.4542 4.4542 4.7168 4.7168 5.4516 5.4516 9.0801 9.0801 9.9374 9.9374 10.7409 10.7409 11.0148 11.0148 k = 0.0000 0.0000 0.0000 ( 4509 PWs) bands (ev): -11.7733 -11.7733 -11.7672 -11.7672 -11.7569 -11.7569 -11.7521 -11.7521 -9.2696 -9.2696 -9.2175 -9.2175 -9.2160 -9.2160 -9.2055 -9.2055 -9.1892 -9.1892 -9.1511 -9.1511 -6.6350 -6.6350 -5.1112 -5.1112 -1.1818 -1.1818 -0.0419 -0.0419 2.2723 2.2723 3.2450 3.2450 3.6314 3.6314 4.4542 4.4542 4.7168 4.7168 5.4516 5.4516 9.0801 9.0801 9.9374 9.9374 10.7409 10.7409 11.0148 11.0148 k =-0.0200 0.0067 0.0000 ( 4509 PWs) bands (ev): -11.7733 -11.7733 -11.7672 -11.7672 -11.7569 -11.7569 -11.7520 -11.7520 -9.2696 -9.2696 -9.2175 -9.2175 -9.2160 -9.2160 -9.2055 -9.2055 -9.1892 -9.1892 -9.1511 -9.1511 -6.6347 -6.6347 -5.1117 -5.1117 -1.1841 -1.1841 -0.0405 -0.0405 2.2761 2.2761 3.2455 3.2455 3.6309 3.6309 4.4544 4.4544 4.7167 4.7167 5.4518 5.4518 9.0745 9.0745 9.9371 9.9371 10.7398 10.7398 10.9806 10.9806 k =-0.0400 0.0135 0.0000 ( 4513 PWs) bands (ev): -11.7733 -11.7733 -11.7672 -11.7672 -11.7570 -11.7570 -11.7519 -11.7519 -9.2697 -9.2697 -9.2175 -9.2175 -9.2160 -9.2160 -9.2054 -9.2054 -9.1891 -9.1891 -9.1512 -9.1512 -6.6338 -6.6338 -5.1132 -5.1132 -1.1906 -1.1906 -0.0364 -0.0364 2.2877 2.2877 3.2469 3.2469 3.6296 3.6296 4.4551 4.4551 4.7164 4.7164 5.4522 5.4522 9.0575 9.0575 9.9362 9.9362 10.7361 10.7361 10.9169 10.9169 k =-0.0600 0.0202 0.0000 ( 4515 PWs) bands (ev): -11.7733 -11.7733 -11.7672 -11.7672 -11.7572 -11.7572 -11.7517 -11.7517 -9.2698 -9.2698 -9.2174 -9.2174 -9.2160 -9.2160 -9.2052 -9.2052 -9.1891 -9.1891 -9.1513 -9.1513 -6.6324 -6.6324 -5.1156 -5.1156 -1.2013 -1.2013 -0.0299 -0.0299 2.3067 2.3067 3.2493 3.2493 3.6274 3.6274 4.4560 4.4560 4.7159 4.7159 5.4529 5.4529 9.0288 9.0288 9.9348 9.9348 10.7265 10.7265 10.8399 10.8399 k =-0.0800 0.0270 0.0000 ( 4521 PWs) bands (ev): -11.7733 -11.7733 -11.7673 -11.7673 -11.7575 -11.7575 -11.7514 -11.7514 -9.2699 -9.2699 -9.2173 -9.2173 -9.2160 -9.2160 -9.2050 -9.2050 -9.1890 -9.1890 -9.1514 -9.1514 -6.6303 -6.6303 -5.1189 -5.1189 -1.2156 -1.2156 -0.0212 -0.0212 2.3332 2.3332 3.2526 3.2526 3.6245 3.6245 4.4572 4.4572 4.7154 4.7154 5.4539 5.4539 8.9879 8.9879 9.9329 9.9329 10.6929 10.6929 10.7763 10.7763 k =-0.1000 0.0337 0.0000 ( 4515 PWs) bands (ev): -11.7732 -11.7732 -11.7673 -11.7673 -11.7577 -11.7577 -11.7511 -11.7511 -9.2700 -9.2700 -9.2172 -9.2172 -9.2160 -9.2160 -9.2047 -9.2047 -9.1889 -9.1889 -9.1515 -9.1515 -6.6278 -6.6278 -5.1231 -5.1231 -1.2332 -1.2332 -0.0107 -0.0107 2.3667 2.3667 3.2568 3.2568 3.6209 3.6209 4.4584 4.4584 4.7148 4.7148 5.4552 5.4552 8.9343 8.9343 9.9301 9.9301 10.6158 10.6158 10.7525 10.7525 k =-0.1200 0.0404 0.0000 ( 4509 PWs) bands (ev): -11.7732 -11.7732 -11.7673 -11.7673 -11.7580 -11.7580 -11.7508 -11.7508 -9.2702 -9.2702 -9.2171 -9.2171 -9.2159 -9.2159 -9.2044 -9.2044 -9.1888 -9.1888 -9.1517 -9.1517 -6.6247 -6.6247 -5.1281 -5.1281 -1.2534 -1.2534 0.0010 0.0010 2.4071 2.4071 3.2620 3.2620 3.6168 3.6168 4.4594 4.4594 4.7145 4.7145 5.4567 5.4567 8.8675 8.8675 9.9264 9.9264 10.5258 10.5258 10.7437 10.7437 k =-0.1400 0.0472 0.0000 ( 4519 PWs) bands (ev): -11.7732 -11.7732 -11.7673 -11.7673 -11.7583 -11.7583 -11.7504 -11.7504 -9.2704 -9.2704 -9.2170 -9.2170 -9.2159 -9.2159 -9.2040 -9.2040 -9.1887 -9.1887 -9.1520 -9.1520 -6.6212 -6.6212 -5.1339 -5.1339 -1.2758 -1.2758 0.0137 0.0137 2.4538 2.4538 3.2682 3.2682 3.6123 3.6123 4.4600 4.4600 4.7144 4.7144 5.4584 5.4584 8.7874 8.7874 9.9212 9.9212 10.4387 10.4387 10.7385 10.7385 k =-0.1600 0.0539 0.0000 ( 4525 PWs) bands (ev): -11.7732 -11.7732 -11.7673 -11.7673 -11.7586 -11.7586 -11.7500 -11.7500 -9.2706 -9.2706 -9.2168 -9.2168 -9.2158 -9.2158 -9.2036 -9.2036 -9.1885 -9.1885 -9.1522 -9.1522 -6.6173 -6.6173 -5.1404 -5.1404 -1.2996 -1.2996 0.0268 0.0268 2.5062 2.5062 3.2755 3.2755 3.6076 3.6076 4.4600 4.4600 4.7148 4.7148 5.4603 5.4603 8.6945 8.6945 9.9136 9.9136 10.3604 10.3604 10.7350 10.7350 k =-0.1800 0.0607 0.0000 ( 4529 PWs) bands (ev): -11.7731 -11.7731 -11.7674 -11.7674 -11.7589 -11.7589 -11.7497 -11.7497 -9.2709 -9.2709 -9.2167 -9.2167 -9.2158 -9.2158 -9.2031 -9.2031 -9.1883 -9.1883 -9.1525 -9.1525 -6.6130 -6.6130 -5.1474 -5.1474 -1.3245 -1.3245 0.0400 0.0400 2.5637 2.5637 3.2841 3.2841 3.6029 3.6029 4.4592 4.4592 4.7157 4.7157 5.4623 5.4623 8.5896 8.5896 9.9027 9.9027 10.2939 10.2939 10.7328 10.7328 k =-0.2000 0.0674 0.0000 ( 4511 PWs) bands (ev): -11.7731 -11.7731 -11.7674 -11.7674 -11.7592 -11.7592 -11.7493 -11.7493 -9.2711 -9.2711 -9.2166 -9.2166 -9.2157 -9.2157 -9.2027 -9.2027 -9.1880 -9.1880 -9.1528 -9.1528 -6.6083 -6.6083 -5.1550 -5.1550 -1.3498 -1.3498 0.0531 0.0531 2.6254 2.6254 3.2940 3.2940 3.5983 3.5983 4.4575 4.4575 4.7172 4.7172 5.4645 5.4645 8.4743 8.4743 9.8874 9.8874 10.2412 10.2412 10.7322 10.7322 k =-0.2200 0.0741 0.0000 ( 4515 PWs) bands (ev): -11.7730 -11.7730 -11.7674 -11.7674 -11.7595 -11.7595 -11.7489 -11.7489 -9.2713 -9.2713 -9.2165 -9.2165 -9.2157 -9.2157 -9.2022 -9.2022 -9.1878 -9.1878 -9.1532 -9.1532 -6.6034 -6.6034 -5.1629 -5.1629 -1.3752 -1.3752 0.0657 0.0657 2.6903 2.6903 3.3057 3.3057 3.5939 3.5939 4.4549 4.4549 4.7194 4.7194 5.4667 5.4667 8.3504 8.3504 9.8671 9.8671 10.2027 10.2027 10.7332 10.7332 k =-0.2400 0.0809 0.0000 ( 4517 PWs) bands (ev): -11.7730 -11.7730 -11.7675 -11.7675 -11.7598 -11.7598 -11.7486 -11.7486 -9.2716 -9.2716 -9.2164 -9.2164 -9.2156 -9.2156 -9.2017 -9.2017 -9.1874 -9.1874 -9.1536 -9.1536 -6.5984 -6.5984 -5.1711 -5.1711 -1.4001 -1.4001 0.0777 0.0777 2.7570 2.7570 3.3196 3.3196 3.5899 3.5899 4.4512 4.4512 4.7222 4.7222 5.4690 5.4690 8.2201 8.2201 9.8425 9.8425 10.1776 10.1776 10.7360 10.7360 k =-0.2600 0.0876 0.0000 ( 4525 PWs) bands (ev): -11.7730 -11.7730 -11.7675 -11.7675 -11.7601 -11.7601 -11.7482 -11.7482 -9.2718 -9.2718 -9.2164 -9.2164 -9.2156 -9.2156 -9.2012 -9.2012 -9.1871 -9.1871 -9.1539 -9.1539 -6.5932 -6.5932 -5.1794 -5.1794 -1.4244 -1.4244 0.0889 0.0889 2.8239 2.8239 3.3365 3.3365 3.5864 3.5864 4.4465 4.4465 4.7256 4.7256 5.4713 5.4713 8.0858 8.0858 9.8150 9.8150 10.1636 10.1636 10.7405 10.7405 k =-0.2800 0.0943 0.0000 ( 4524 PWs) bands (ev): -11.7729 -11.7729 -11.7676 -11.7676 -11.7603 -11.7603 -11.7479 -11.7479 -9.2720 -9.2720 -9.2163 -9.2163 -9.2155 -9.2155 -9.2008 -9.2008 -9.1867 -9.1867 -9.1543 -9.1543 -6.5881 -6.5881 -5.1877 -5.1877 -1.4477 -1.4477 0.0993 0.0993 2.8889 2.8889 3.3574 3.3574 3.5835 3.5835 4.4411 4.4411 4.7294 4.7294 5.4736 5.4736 7.9497 7.9497 9.7865 9.7865 10.1579 10.1579 10.7466 10.7466 k =-0.3000 0.1011 0.0000 ( 4520 PWs) bands (ev): -11.7729 -11.7729 -11.7676 -11.7676 -11.7606 -11.7606 -11.7476 -11.7476 -9.2722 -9.2722 -9.2162 -9.2162 -9.2155 -9.2155 -9.2004 -9.2004 -9.1862 -9.1862 -9.1548 -9.1548 -6.5830 -6.5830 -5.1959 -5.1959 -1.4696 -1.4696 0.1088 0.1088 2.9496 2.9496 3.3835 3.3835 3.5812 3.5812 4.4349 4.4349 4.7335 4.7335 5.4758 5.4758 7.8141 7.8141 9.7585 9.7585 10.1584 10.1584 10.7540 10.7540 k =-0.3200 0.1078 0.0000 ( 4530 PWs) bands (ev): -11.7728 -11.7728 -11.7676 -11.7676 -11.7608 -11.7608 -11.7473 -11.7473 -9.2724 -9.2724 -9.2162 -9.2162 -9.2155 -9.2155 -9.2000 -9.2000 -9.1858 -9.1858 -9.1552 -9.1552 -6.5780 -6.5780 -5.2038 -5.2038 -1.4900 -1.4900 0.1174 0.1174 3.0036 3.0036 3.4161 3.4161 3.5795 3.5795 4.4283 4.4283 4.7377 4.7377 5.4779 5.4779 7.6813 7.6813 9.7320 9.7320 10.1631 10.1631 10.7623 10.7623 k =-0.3400 0.1146 0.0000 ( 4534 PWs) bands (ev): -11.7728 -11.7728 -11.7677 -11.7677 -11.7610 -11.7610 -11.7471 -11.7471 -9.2726 -9.2726 -9.2161 -9.2161 -9.2154 -9.2154 -9.1996 -9.1996 -9.1853 -9.1853 -9.1556 -9.1556 -6.5732 -6.5732 -5.2114 -5.2114 -1.5087 -1.5087 0.1250 0.1250 3.0492 3.0492 3.4555 3.4555 3.5785 3.5785 4.4214 4.4214 4.7419 4.7419 5.4799 5.4799 7.5534 7.5534 9.7077 9.7077 10.1707 10.1707 10.7707 10.7707 k =-0.3600 0.1213 0.0000 ( 4538 PWs) bands (ev): -11.7728 -11.7728 -11.7677 -11.7677 -11.7611 -11.7611 -11.7468 -11.7468 -9.2728 -9.2728 -9.2160 -9.2160 -9.2154 -9.2154 -9.1994 -9.1994 -9.1848 -9.1848 -9.1559 -9.1559 -6.5688 -6.5688 -5.2184 -5.2184 -1.5256 -1.5256 0.1316 0.1316 3.0854 3.0854 3.5009 3.5009 3.5781 3.5781 4.4144 4.4144 4.7460 4.7460 5.4817 5.4817 7.4326 7.4326 9.6859 9.6859 10.1801 10.1801 10.7785 10.7785 k =-0.3800 0.1280 0.0000 ( 4536 PWs) bands (ev): -11.7727 -11.7727 -11.7677 -11.7677 -11.7613 -11.7613 -11.7466 -11.7466 -9.2729 -9.2729 -9.2160 -9.2160 -9.2154 -9.2154 -9.1991 -9.1991 -9.1844 -9.1844 -9.1563 -9.1563 -6.5648 -6.5648 -5.2247 -5.2247 -1.5404 -1.5404 0.1373 0.1373 3.1130 3.1130 3.5490 3.5490 3.5792 3.5792 4.4077 4.4077 4.7498 4.7498 5.4833 5.4833 7.3213 7.3213 9.6668 9.6668 10.1905 10.1905 10.7851 10.7851 k =-0.4000 0.1348 0.0000 ( 4540 PWs) bands (ev): -11.7727 -11.7727 -11.7678 -11.7678 -11.7614 -11.7614 -11.7465 -11.7465 -9.2731 -9.2731 -9.2159 -9.2159 -9.2154 -9.2154 -9.1989 -9.1989 -9.1839 -9.1839 -9.1567 -9.1567 -6.5612 -6.5612 -5.2304 -5.2304 -1.5531 -1.5531 0.1421 0.1421 3.1334 3.1334 3.5751 3.5751 3.6030 3.6030 4.4014 4.4014 4.7532 4.7532 5.4847 5.4847 7.2215 7.2215 9.6505 9.6505 10.2010 10.2010 10.7897 10.7897 k =-0.4200 0.1415 0.0000 ( 4528 PWs) bands (ev): -11.7727 -11.7727 -11.7678 -11.7678 -11.7615 -11.7615 -11.7463 -11.7463 -9.2732 -9.2732 -9.2159 -9.2159 -9.2155 -9.2155 -9.1987 -9.1987 -9.1836 -9.1836 -9.1569 -9.1569 -6.5582 -6.5582 -5.2351 -5.2351 -1.5636 -1.5636 0.1460 0.1460 3.1480 3.1480 3.5769 3.5769 3.6485 3.6485 4.3957 4.3957 4.7560 4.7560 5.4858 5.4858 7.1358 7.1358 9.6371 9.6371 10.2110 10.2110 10.7923 10.7923 k =-0.4400 0.1483 0.0000 ( 4532 PWs) bands (ev): -11.7727 -11.7727 -11.7678 -11.7678 -11.7616 -11.7616 -11.7462 -11.7462 -9.2733 -9.2733 -9.2158 -9.2158 -9.2155 -9.2155 -9.1986 -9.1986 -9.1832 -9.1832 -9.1572 -9.1572 -6.5558 -6.5558 -5.2389 -5.2389 -1.5719 -1.5719 0.1490 0.1490 3.1581 3.1581 3.5775 3.5775 3.6886 3.6886 4.3910 4.3910 4.7583 4.7583 5.4867 5.4867 7.0662 7.0662 9.6267 9.6267 10.2196 10.2196 10.7930 10.7930 k =-0.4600 0.1550 0.0000 ( 4540 PWs) bands (ev): -11.7726 -11.7726 -11.7678 -11.7678 -11.7616 -11.7616 -11.7461 -11.7461 -9.2733 -9.2733 -9.2158 -9.2158 -9.2155 -9.2155 -9.1985 -9.1985 -9.1830 -9.1830 -9.1574 -9.1574 -6.5540 -6.5540 -5.2416 -5.2416 -1.5778 -1.5778 0.1512 0.1512 3.1648 3.1648 3.5780 3.5780 3.7197 3.7197 4.3874 4.3874 4.7599 4.7599 5.4873 5.4873 7.0148 7.0148 9.6193 9.6193 10.2263 10.2263 10.7928 10.7928 k =-0.4800 0.1617 0.0000 ( 4546 PWs) bands (ev): -11.7726 -11.7726 -11.7678 -11.7678 -11.7617 -11.7617 -11.7461 -11.7461 -9.2734 -9.2734 -9.2158 -9.2158 -9.2155 -9.2155 -9.1985 -9.1985 -9.1829 -9.1829 -9.1575 -9.1575 -6.5530 -6.5530 -5.2433 -5.2433 -1.5814 -1.5814 0.1524 0.1524 3.1685 3.1685 3.5783 3.5783 3.7393 3.7393 4.3851 4.3851 4.7609 4.7609 5.4877 5.4877 6.9832 6.9832 9.6148 9.6148 10.2306 10.2306 10.7922 10.7922 k =-0.5000 0.1685 0.0000 ( 4558 PWs) bands (ev): -11.7726 -11.7726 -11.7678 -11.7678 -11.7617 -11.7617 -11.7461 -11.7461 -9.2734 -9.2734 -9.2158 -9.2158 -9.2155 -9.2155 -9.1985 -9.1985 -9.1828 -9.1828 -9.1575 -9.1575 -6.5526 -6.5526 -5.2439 -5.2439 -1.5826 -1.5826 0.1529 0.1529 3.1697 3.1697 3.5784 3.5784 3.7460 3.7460 4.3843 4.3843 4.7612 4.7612 5.4878 5.4878 6.9726 6.9726 9.6133 9.6133 10.2320 10.2320 10.7920 10.7920 k =-0.5000 0.1685 0.0000 ( 4558 PWs) bands (ev): -11.7726 -11.7726 -11.7678 -11.7678 -11.7617 -11.7617 -11.7461 -11.7461 -9.2734 -9.2734 -9.2158 -9.2158 -9.2155 -9.2155 -9.1985 -9.1985 -9.1828 -9.1828 -9.1575 -9.1575 -6.5526 -6.5526 -5.2439 -5.2439 -1.5826 -1.5826 0.1529 0.1529 3.1697 3.1697 3.5784 3.5784 3.7460 3.7460 4.3843 4.3843 4.7612 4.7612 5.4878 5.4878 6.9726 6.9726 9.6133 9.6133 10.2320 10.2320 10.7920 10.7920 k =-0.4933 0.1884-0.0000 ( 4548 PWs) bands (ev): -11.7726 -11.7726 -11.7678 -11.7678 -11.7617 -11.7617 -11.7461 -11.7461 -9.2733 -9.2733 -9.2158 -9.2158 -9.2155 -9.2155 -9.1985 -9.1985 -9.1828 -9.1828 -9.1575 -9.1575 -6.5518 -6.5518 -5.2438 -5.2438 -1.5839 -1.5839 0.1507 0.1507 3.1710 3.1710 3.5795 3.5795 3.7468 3.7468 4.3855 4.3855 4.7627 4.7627 5.4867 5.4867 6.9733 6.9733 9.6079 9.6079 10.2276 10.2276 10.7947 10.7947 k =-0.4866 0.2083-0.0000 ( 4548 PWs) bands (ev): -11.7726 -11.7726 -11.7678 -11.7678 -11.7616 -11.7616 -11.7460 -11.7460 -9.2732 -9.2732 -9.2157 -9.2157 -9.2155 -9.2155 -9.1985 -9.1985 -9.1828 -9.1828 -9.1576 -9.1576 -6.5492 -6.5492 -5.2436 -5.2436 -1.5877 -1.5877 0.1442 0.1442 3.1747 3.1747 3.5828 3.5828 3.7492 3.7492 4.3888 4.3888 4.7671 4.7671 5.4835 5.4835 6.9754 6.9754 9.5917 9.5917 10.2146 10.2146 10.8026 10.8026 k =-0.4799 0.2283-0.0000 ( 4544 PWs) bands (ev): -11.7726 -11.7726 -11.7678 -11.7678 -11.7616 -11.7616 -11.7460 -11.7460 -9.2729 -9.2729 -9.2157 -9.2157 -9.2155 -9.2155 -9.1985 -9.1985 -9.1828 -9.1828 -9.1577 -9.1577 -6.5450 -6.5450 -5.2432 -5.2432 -1.5941 -1.5941 0.1334 0.1334 3.1809 3.1809 3.5883 3.5883 3.7531 3.7531 4.3944 4.3944 4.7744 4.7744 5.4779 5.4779 6.9789 6.9789 9.5651 9.5651 10.1933 10.1933 10.8128 10.8128 k =-0.4731 0.2482-0.0000 ( 4549 PWs) bands (ev): -11.7726 -11.7726 -11.7678 -11.7678 -11.7615 -11.7615 -11.7460 -11.7460 -9.2726 -9.2726 -9.2157 -9.2157 -9.2154 -9.2154 -9.1986 -9.1986 -9.1827 -9.1827 -9.1579 -9.1579 -6.5390 -6.5390 -5.2427 -5.2427 -1.6030 -1.6030 0.1185 0.1185 3.1895 3.1895 3.5959 3.5959 3.7586 3.7586 4.4021 4.4021 4.7845 4.7845 5.4702 5.4702 6.9837 6.9837 9.5285 9.5285 10.1640 10.1640 10.8018 10.8018 k =-0.4664 0.2681-0.0000 ( 4549 PWs) bands (ev): -11.7726 -11.7726 -11.7678 -11.7678 -11.7614 -11.7614 -11.7460 -11.7460 -9.2722 -9.2722 -9.2156 -9.2156 -9.2154 -9.2154 -9.1986 -9.1986 -9.1827 -9.1827 -9.1581 -9.1581 -6.5314 -6.5314 -5.2421 -5.2421 -1.6142 -1.6142 0.0995 0.0995 3.2005 3.2005 3.6058 3.6058 3.7657 3.7657 4.4119 4.4119 4.7973 4.7973 5.4603 5.4603 6.9900 6.9900 9.4825 9.4825 10.1273 10.1273 10.7292 10.7292 k =-0.4597 0.2881-0.0000 ( 4551 PWs) bands (ev): -11.7725 -11.7725 -11.7678 -11.7678 -11.7612 -11.7612 -11.7460 -11.7460 -9.2717 -9.2717 -9.2155 -9.2155 -9.2153 -9.2153 -9.1987 -9.1987 -9.1826 -9.1826 -9.1584 -9.1584 -6.5222 -6.5222 -5.2415 -5.2415 -1.6276 -1.6276 0.0765 0.0765 3.2140 3.2140 3.6177 3.6177 3.7743 3.7743 4.4237 4.4237 4.8129 4.8129 5.4481 5.4481 6.9977 6.9977 9.4279 9.4279 10.0835 10.0835 10.6357 10.6357 k =-0.4530 0.3080-0.0000 ( 4547 PWs) bands (ev): -11.7725 -11.7725 -11.7678 -11.7678 -11.7611 -11.7611 -11.7460 -11.7460 -9.2711 -9.2711 -9.2155 -9.2155 -9.2153 -9.2153 -9.1987 -9.1987 -9.1825 -9.1825 -9.1587 -9.1587 -6.5112 -6.5112 -5.2409 -5.2409 -1.6430 -1.6430 0.0498 0.0498 3.2298 3.2298 3.6318 3.6318 3.7845 3.7845 4.4374 4.4374 4.8309 4.8309 5.4337 5.4337 7.0067 7.0067 9.3655 9.3655 10.0328 10.0328 10.5325 10.5325 k =-0.4463 0.3279-0.0000 ( 4549 PWs) bands (ev): -11.7725 -11.7725 -11.7678 -11.7678 -11.7609 -11.7609 -11.7459 -11.7459 -9.2704 -9.2704 -9.2154 -9.2154 -9.2153 -9.2153 -9.1988 -9.1988 -9.1824 -9.1824 -9.1590 -9.1590 -6.4987 -6.4987 -5.2404 -5.2404 -1.6602 -1.6602 0.0196 0.0196 3.2479 3.2479 3.6479 3.6479 3.7962 3.7962 4.4529 4.4529 4.8513 4.8513 5.4171 5.4171 7.0170 7.0170 9.2963 9.2963 9.9758 9.9758 10.4229 10.4229 k =-0.4396 0.3479-0.0000 ( 4545 PWs) bands (ev): -11.7724 -11.7724 -11.7678 -11.7678 -11.7607 -11.7607 -11.7459 -11.7459 -9.2696 -9.2696 -9.2153 -9.2153 -9.2152 -9.2152 -9.1988 -9.1988 -9.1823 -9.1823 -9.1594 -9.1594 -6.4845 -6.4845 -5.2400 -5.2400 -1.6791 -1.6791 -0.0141 -0.0141 3.2683 3.2683 3.6661 3.6661 3.8095 3.8095 4.4700 4.4700 4.8739 4.8739 5.3985 5.3985 7.0286 7.0286 9.2212 9.2212 9.9126 9.9126 10.3091 10.3091 k =-0.4328 0.3678-0.0000 ( 4557 PWs) bands (ev): -11.7724 -11.7724 -11.7678 -11.7678 -11.7604 -11.7604 -11.7459 -11.7459 -9.2688 -9.2688 -9.2153 -9.2153 -9.2151 -9.2151 -9.1989 -9.1989 -9.1822 -9.1822 -9.1599 -9.1599 -6.4687 -6.4687 -5.2399 -5.2399 -1.6993 -1.6993 -0.0508 -0.0508 3.2909 3.2909 3.6863 3.6863 3.8242 3.8242 4.4887 4.4887 4.8984 4.8984 5.3780 5.3780 7.0412 7.0412 9.1412 9.1412 9.8438 9.8438 10.1926 10.1926 k =-0.4261 0.3877-0.0000 ( 4553 PWs) bands (ev): -11.7723 -11.7723 -11.7678 -11.7678 -11.7602 -11.7602 -11.7458 -11.7458 -9.2679 -9.2679 -9.2154 -9.2154 -9.2150 -9.2150 -9.1989 -9.1989 -9.1820 -9.1820 -9.1603 -9.1603 -6.4514 -6.4514 -5.2401 -5.2401 -1.7206 -1.7206 -0.0905 -0.0905 3.3157 3.3157 3.7084 3.7084 3.8405 3.8405 4.5087 4.5087 4.9245 4.9245 5.3558 5.3558 7.0548 7.0548 9.0575 9.0575 9.7698 9.7698 10.0747 10.0747 k =-0.4194 0.4076-0.0000 ( 4547 PWs) bands (ev): -11.7723 -11.7723 -11.7678 -11.7678 -11.7599 -11.7599 -11.7458 -11.7458 -9.2669 -9.2669 -9.2154 -9.2154 -9.2148 -9.2148 -9.1989 -9.1989 -9.1819 -9.1819 -9.1608 -9.1608 -6.4325 -6.4325 -5.2406 -5.2406 -1.7428 -1.7428 -0.1328 -0.1328 3.3425 3.3425 3.7324 3.7324 3.8582 3.8582 4.5298 4.5298 4.9517 4.9517 5.3324 5.3324 7.0692 7.0692 8.9710 8.9710 9.6911 9.6911 9.9565 9.9565 k =-0.4127 0.4276-0.0000 ( 4543 PWs) bands (ev): -11.7722 -11.7722 -11.7679 -11.7679 -11.7596 -11.7596 -11.7457 -11.7457 -9.2659 -9.2659 -9.2156 -9.2156 -9.2146 -9.2146 -9.1989 -9.1989 -9.1817 -9.1817 -9.1613 -9.1613 -6.4121 -6.4121 -5.2417 -5.2417 -1.7655 -1.7655 -0.1775 -0.1775 3.3713 3.3713 3.7581 3.7581 3.8773 3.8773 4.5519 4.5519 4.9793 4.9793 5.3083 5.3083 7.0839 7.0839 8.8830 8.8830 9.6084 9.6084 9.8389 9.8389 k =-0.4060 0.4475-0.0000 ( 4535 PWs) bands (ev): -11.7721 -11.7721 -11.7679 -11.7679 -11.7593 -11.7593 -11.7457 -11.7457 -9.2648 -9.2648 -9.2158 -9.2158 -9.2144 -9.2144 -9.1989 -9.1989 -9.1815 -9.1815 -9.1618 -9.1618 -6.3903 -6.3903 -5.2434 -5.2434 -1.7884 -1.7884 -0.2243 -0.2243 3.4020 3.4020 3.7855 3.7855 3.8979 3.8979 4.5747 4.5747 5.0061 5.0061 5.2849 5.2849 7.0986 7.0986 8.7946 8.7946 9.5223 9.5223 9.7224 9.7224 k =-0.3993 0.4674-0.0000 ( 4541 PWs) bands (ev): -11.7720 -11.7720 -11.7679 -11.7679 -11.7589 -11.7589 -11.7457 -11.7457 -9.2636 -9.2636 -9.2160 -9.2160 -9.2142 -9.2142 -9.1989 -9.1989 -9.1813 -9.1813 -9.1624 -9.1624 -6.3670 -6.3670 -5.2459 -5.2459 -1.8113 -1.8113 -0.2731 -0.2731 3.4345 3.4345 3.8144 3.8144 3.9198 3.9198 4.5981 4.5981 5.0301 5.0301 5.2640 5.2640 7.1128 7.1128 8.7070 8.7070 9.4334 9.4334 9.6078 9.6078 k =-0.3926 0.4874-0.0000 ( 4537 PWs) bands (ev): -11.7719 -11.7719 -11.7680 -11.7680 -11.7586 -11.7586 -11.7456 -11.7456 -9.2624 -9.2624 -9.2163 -9.2163 -9.2140 -9.2140 -9.1989 -9.1989 -9.1811 -9.1811 -9.1630 -9.1630 -6.3424 -6.3424 -5.2492 -5.2492 -1.8337 -1.8337 -0.3234 -0.3234 3.4686 3.4686 3.8445 3.8445 3.9430 3.9430 4.6216 4.6216 5.0479 5.0479 5.2493 5.2493 7.1259 7.1259 8.6214 8.6214 9.3425 9.3425 9.4955 9.4955 k =-0.3858 0.5073-0.0000 ( 4537 PWs) bands (ev): -11.7719 -11.7719 -11.7680 -11.7680 -11.7583 -11.7583 -11.7456 -11.7456 -9.2612 -9.2612 -9.2167 -9.2167 -9.2138 -9.2138 -9.1988 -9.1988 -9.1808 -9.1808 -9.1636 -9.1636 -6.3164 -6.3164 -5.2535 -5.2535 -1.8555 -1.8555 -0.3751 -0.3751 3.5043 3.5043 3.8757 3.8757 3.9676 3.9676 4.6451 4.6451 5.0549 5.0549 5.2454 5.2454 7.1371 7.1371 8.5392 8.5392 9.2501 9.2501 9.3860 9.3860 k =-0.3791 0.5272-0.0000 ( 4533 PWs) bands (ev): -11.7718 -11.7718 -11.7681 -11.7681 -11.7579 -11.7579 -11.7456 -11.7456 -9.2600 -9.2600 -9.2171 -9.2171 -9.2136 -9.2136 -9.1987 -9.1987 -9.1806 -9.1806 -9.1642 -9.1642 -6.2891 -6.2891 -5.2589 -5.2589 -1.8763 -1.8763 -0.4280 -0.4280 3.5413 3.5413 3.9076 3.9076 3.9936 3.9936 4.6682 4.6682 5.0487 5.0487 5.2549 5.2549 7.1456 7.1456 8.4619 8.4619 9.1567 9.1567 9.2802 9.2802 k =-0.3724 0.5472-0.0000 ( 4519 PWs) bands (ev): -11.7717 -11.7717 -11.7681 -11.7681 -11.7575 -11.7575 -11.7456 -11.7456 -9.2587 -9.2587 -9.2175 -9.2175 -9.2133 -9.2133 -9.1987 -9.1987 -9.1803 -9.1803 -9.1648 -9.1648 -6.2606 -6.2606 -5.2655 -5.2655 -1.8957 -1.8957 -0.4817 -0.4817 3.5793 3.5793 3.9398 3.9398 4.0210 4.0210 4.6905 4.6905 5.0319 5.0319 5.2755 5.2755 7.1505 7.1505 8.3906 8.3906 9.0628 9.0628 9.1788 9.1788 k =-0.3657 0.5671-0.0000 ( 4525 PWs) bands (ev): -11.7716 -11.7716 -11.7682 -11.7682 -11.7572 -11.7572 -11.7455 -11.7455 -9.2573 -9.2573 -9.2181 -9.2181 -9.2130 -9.2130 -9.1986 -9.1986 -9.1800 -9.1800 -9.1654 -9.1654 -6.2310 -6.2310 -5.2734 -5.2734 -1.9135 -1.9135 -0.5360 -0.5360 3.6182 3.6182 3.9715 3.9715 4.0500 4.0500 4.7115 4.7115 5.0093 5.0093 5.3028 5.3028 7.1507 7.1507 8.3267 8.3267 8.9684 8.9684 9.0829 9.0829 k =-0.3590 0.5870-0.0000 ( 4519 PWs) bands (ev): -11.7714 -11.7714 -11.7683 -11.7683 -11.7568 -11.7568 -11.7455 -11.7455 -9.2560 -9.2560 -9.2186 -9.2186 -9.2128 -9.2128 -9.1985 -9.1985 -9.1797 -9.1797 -9.1660 -9.1660 -6.2002 -6.2002 -5.2828 -5.2828 -1.9294 -1.9294 -0.5908 -0.5908 3.6576 3.6576 4.0021 4.0021 4.0808 4.0808 4.7310 4.7310 4.9845 4.9845 5.3334 5.3334 7.1457 7.1457 8.2711 8.2711 8.8739 8.8739 8.9936 8.9936 k =-0.3523 0.6069-0.0000 ( 4513 PWs) bands (ev): -11.7713 -11.7713 -11.7684 -11.7684 -11.7564 -11.7564 -11.7455 -11.7455 -9.2547 -9.2547 -9.2193 -9.2193 -9.2125 -9.2125 -9.1984 -9.1984 -9.1793 -9.1793 -9.1667 -9.1667 -6.1684 -6.1684 -5.2937 -5.2937 -1.9432 -1.9432 -0.6457 -0.6457 3.6970 3.6970 4.0307 4.0307 4.1136 4.1136 4.7484 4.7484 4.9604 4.9604 5.3652 5.3652 7.1349 7.1349 8.2241 8.2241 8.7802 8.7802 8.9117 8.9117 k =-0.3455 0.6269-0.0000 ( 4521 PWs) bands (ev): -11.7712 -11.7712 -11.7684 -11.7684 -11.7561 -11.7561 -11.7455 -11.7455 -9.2533 -9.2533 -9.2199 -9.2199 -9.2122 -9.2122 -9.1984 -9.1984 -9.1790 -9.1790 -9.1673 -9.1673 -6.1357 -6.1357 -5.3063 -5.3063 -1.9545 -1.9545 -0.7006 -0.7006 3.7358 3.7358 4.0566 4.0566 4.1484 4.1484 4.7636 4.7636 4.9388 4.9388 5.3964 5.3964 7.1187 7.1187 8.1849 8.1849 8.6886 8.6886 8.8379 8.8379 k =-0.3388 0.6468-0.0000 ( 4525 PWs) bands (ev): -11.7711 -11.7711 -11.7685 -11.7685 -11.7557 -11.7557 -11.7455 -11.7455 -9.2520 -9.2520 -9.2206 -9.2206 -9.2119 -9.2119 -9.1983 -9.1983 -9.1786 -9.1786 -9.1679 -9.1679 -6.1020 -6.1020 -5.3206 -5.3206 -1.9631 -1.9631 -0.7551 -0.7551 3.7730 3.7730 4.0794 4.0794 4.1853 4.1853 4.7767 4.7767 4.9209 4.9209 5.4260 5.4260 7.0979 7.0979 8.1515 8.1515 8.6013 8.6013 8.7731 8.7731 k =-0.3321 0.6667-0.0000 ( 4521 PWs) bands (ev): -11.7710 -11.7710 -11.7686 -11.7686 -11.7554 -11.7554 -11.7456 -11.7456 -9.2507 -9.2507 -9.2213 -9.2213 -9.2115 -9.2115 -9.1983 -9.1983 -9.1782 -9.1782 -9.1686 -9.1686 -6.0676 -6.0676 -5.3366 -5.3366 -1.9689 -1.9689 -0.8092 -0.8092 3.8074 3.8074 4.0991 4.0991 4.2238 4.2238 4.7885 4.7885 4.9072 4.9072 5.4527 5.4527 7.0741 7.0741 8.1201 8.1201 8.5215 8.5215 8.7180 8.7180 k =-0.3254 0.6867-0.0000 ( 4521 PWs) bands (ev): -11.7709 -11.7709 -11.7687 -11.7687 -11.7550 -11.7550 -11.7456 -11.7456 -9.2493 -9.2493 -9.2221 -9.2221 -9.2112 -9.2112 -9.1983 -9.1983 -9.1778 -9.1778 -9.1692 -9.1692 -6.0325 -6.0325 -5.3545 -5.3545 -1.9717 -1.9717 -0.8626 -0.8626 3.8371 3.8371 4.1165 4.1165 4.2636 4.2636 4.8005 4.8005 4.8972 4.8972 5.4755 5.4755 7.0492 7.0492 8.0851 8.0851 8.4533 8.4533 8.6735 8.6735 k =-0.3187 0.7066-0.0000 ( 4521 PWs) bands (ev): -11.7708 -11.7708 -11.7688 -11.7688 -11.7547 -11.7547 -11.7456 -11.7456 -9.2480 -9.2480 -9.2229 -9.2229 -9.2109 -9.2109 -9.1984 -9.1984 -9.1774 -9.1774 -9.1698 -9.1698 -5.9967 -5.9967 -5.3742 -5.3742 -1.9713 -1.9713 -0.9151 -0.9151 3.8596 3.8596 4.1332 4.1332 4.3046 4.3046 4.8146 4.8146 4.8895 4.8895 5.4933 5.4933 7.0255 7.0255 8.0407 8.0407 8.4008 8.4008 8.6408 8.6408 k =-0.3120 0.7265-0.0000 ( 4525 PWs) bands (ev): -11.7707 -11.7707 -11.7689 -11.7689 -11.7543 -11.7543 -11.7457 -11.7457 -9.2467 -9.2467 -9.2237 -9.2237 -9.2106 -9.2106 -9.1984 -9.1984 -9.1770 -9.1770 -9.1703 -9.1703 -5.9605 -5.9605 -5.3958 -5.3958 -1.9675 -1.9675 -0.9665 -0.9665 3.8723 3.8723 4.1515 4.1515 4.3464 4.3464 4.8318 4.8318 4.8834 4.8834 5.5049 5.5049 7.0053 7.0053 7.9840 7.9840 8.3654 8.3654 8.6206 8.6206 k =-0.3052 0.7465-0.0000 ( 4521 PWs) bands (ev): -11.7705 -11.7705 -11.7690 -11.7690 -11.7540 -11.7540 -11.7458 -11.7458 -9.2455 -9.2455 -9.2245 -9.2245 -9.2102 -9.2102 -9.1985 -9.1985 -9.1767 -9.1767 -9.1709 -9.1709 -5.9238 -5.9238 -5.4192 -5.4192 -1.9604 -1.9604 -1.0166 -1.0166 3.8730 3.8730 4.1734 4.1734 4.3890 4.3890 4.8480 4.8480 4.8825 4.8825 5.5095 5.5095 6.9907 6.9907 7.9162 7.9162 8.3446 8.3446 8.6133 8.6133 k =-0.2985 0.7664-0.0000 ( 4525 PWs) bands (ev): -11.7704 -11.7704 -11.7691 -11.7691 -11.7537 -11.7537 -11.7459 -11.7459 -9.2442 -9.2442 -9.2254 -9.2254 -9.2099 -9.2099 -9.1987 -9.1987 -9.1764 -9.1764 -9.1713 -9.1713 -5.8868 -5.8868 -5.4443 -5.4443 -1.9498 -1.9498 -1.0653 -1.0653 3.8616 3.8616 4.1997 4.1997 4.4320 4.4320 4.8482 4.8482 4.9010 4.9010 5.5065 5.5065 6.9832 6.9832 7.8414 7.8414 8.3344 8.3344 8.6179 8.6179 k =-0.2918 0.7863-0.0000 ( 4523 PWs) bands (ev): -11.7703 -11.7703 -11.7692 -11.7692 -11.7534 -11.7534 -11.7460 -11.7460 -9.2430 -9.2430 -9.2262 -9.2262 -9.2096 -9.2096 -9.1989 -9.1989 -9.1761 -9.1761 -9.1717 -9.1717 -5.8496 -5.8496 -5.4712 -5.4712 -1.9356 -1.9356 -1.1123 -1.1123 3.8391 3.8391 4.2298 4.2298 4.4753 4.4753 4.8356 4.8356 4.9346 4.9346 5.4956 5.4956 6.9837 6.9837 7.7632 7.7632 8.3321 8.3321 8.6324 8.6324 k =-0.2851 0.8062-0.0000 ( 4519 PWs) bands (ev): -11.7702 -11.7702 -11.7692 -11.7692 -11.7532 -11.7532 -11.7461 -11.7461 -9.2418 -9.2418 -9.2271 -9.2271 -9.2092 -9.2092 -9.1991 -9.1991 -9.1760 -9.1760 -9.1719 -9.1719 -5.8123 -5.8123 -5.4997 -5.4997 -1.9180 -1.9180 -1.1575 -1.1575 3.8077 3.8077 4.2623 4.2623 4.5187 4.5187 4.8171 4.8171 4.9753 4.9753 5.4770 5.4770 6.9924 6.9924 7.6846 7.6846 8.3366 8.3366 8.6538 8.6538 k =-0.2784 0.8262-0.0000 ( 4511 PWs) bands (ev): -11.7701 -11.7701 -11.7693 -11.7693 -11.7529 -11.7529 -11.7462 -11.7462 -9.2407 -9.2407 -9.2279 -9.2279 -9.2089 -9.2089 -9.1994 -9.1994 -9.1761 -9.1761 -9.1720 -9.1720 -5.7751 -5.7751 -5.5298 -5.5298 -1.8970 -1.8970 -1.2008 -1.2008 3.7695 3.7695 4.2960 4.2960 4.5620 4.5620 4.7940 4.7940 5.0210 5.0210 5.4512 5.4512 7.0086 7.0086 7.6084 7.6084 8.3475 8.3475 8.6785 8.6785 k =-0.2784 0.8262-0.0000 ( 4511 PWs) bands (ev): -11.7701 -11.7701 -11.7693 -11.7693 -11.7529 -11.7529 -11.7462 -11.7462 -9.2407 -9.2407 -9.2279 -9.2279 -9.2089 -9.2089 -9.1994 -9.1994 -9.1761 -9.1761 -9.1720 -9.1720 -5.7751 -5.7751 -5.5298 -5.5298 -1.8970 -1.8970 -1.2008 -1.2008 3.7695 3.7695 4.2960 4.2960 4.5620 4.5620 4.7940 4.7940 5.0210 5.0210 5.4512 5.4512 7.0086 7.0086 7.6084 7.6084 8.3475 8.3475 8.6785 8.6785 k =-0.2784 0.8262 0.0214 ( 4518 PWs) bands (ev): -11.7702 -11.7702 -11.7693 -11.7693 -11.7529 -11.7529 -11.7462 -11.7462 -9.2409 -9.2409 -9.2278 -9.2278 -9.2090 -9.2090 -9.1992 -9.1992 -9.1761 -9.1761 -9.1720 -9.1720 -5.7745 -5.7745 -5.5294 -5.5294 -1.8959 -1.8959 -1.2002 -1.2002 3.7665 3.7665 4.2934 4.2934 4.5484 4.5484 4.7851 4.7851 5.0354 5.0354 5.4449 5.4449 7.0152 7.0152 7.6037 7.6037 8.3558 8.3558 8.6849 8.6849 k =-0.2784 0.8262 0.0427 ( 4520 PWs) bands (ev): -11.7703 -11.7703 -11.7692 -11.7692 -11.7529 -11.7529 -11.7462 -11.7462 -9.2413 -9.2413 -9.2277 -9.2277 -9.2094 -9.2094 -9.1988 -9.1988 -9.1761 -9.1761 -9.1720 -9.1720 -5.7727 -5.7727 -5.5281 -5.5281 -1.8928 -1.8928 -1.1983 -1.1983 3.7575 3.7575 4.2847 4.2847 4.5138 4.5138 4.7592 4.7592 5.0727 5.0727 5.4261 5.4261 7.0343 7.0343 7.5914 7.5914 8.3801 8.3801 8.7041 8.7041 k =-0.2784 0.8262 0.0641 ( 4522 PWs) bands (ev): -11.7705 -11.7705 -11.7691 -11.7691 -11.7529 -11.7529 -11.7462 -11.7462 -9.2420 -9.2420 -9.2275 -9.2275 -9.2098 -9.2098 -9.1982 -9.1982 -9.1762 -9.1762 -9.1721 -9.1721 -5.7696 -5.7696 -5.5260 -5.5260 -1.8876 -1.8876 -1.1951 -1.1951 3.7415 3.7415 4.2683 4.2683 4.4709 4.4709 4.7187 4.7187 5.1213 5.1213 5.3955 5.3955 7.0633 7.0633 7.5761 7.5761 8.4184 8.4184 8.7352 8.7352 k =-0.2784 0.8262 0.0854 ( 4524 PWs) bands (ev): -11.7707 -11.7707 -11.7691 -11.7691 -11.7528 -11.7528 -11.7462 -11.7462 -9.2429 -9.2429 -9.2274 -9.2274 -9.2103 -9.2103 -9.1974 -9.1974 -9.1762 -9.1762 -9.1722 -9.1722 -5.7654 -5.7654 -5.5230 -5.5230 -1.8804 -1.8804 -1.1907 -1.1907 3.7173 3.7173 4.2420 4.2420 4.4299 4.4299 4.6672 4.6672 5.1709 5.1709 5.3548 5.3548 7.0978 7.0978 7.5652 7.5652 8.4681 8.4681 8.7777 8.7777 k =-0.2784 0.8262 0.1068 ( 4529 PWs) bands (ev): -11.7709 -11.7709 -11.7690 -11.7690 -11.7528 -11.7528 -11.7462 -11.7462 -9.2440 -9.2440 -9.2275 -9.2275 -9.2107 -9.2107 -9.1965 -9.1965 -9.1762 -9.1762 -9.1724 -9.1724 -5.7599 -5.7599 -5.5193 -5.5193 -1.8711 -1.8711 -1.1851 -1.1851 3.6834 3.6834 4.2062 4.2062 4.3953 4.3953 4.6091 4.6091 5.2087 5.2087 5.3116 5.3116 7.1314 7.1314 7.5677 7.5677 8.5259 8.5259 8.8316 8.8316 k =-0.2784 0.8262 0.1281 ( 4525 PWs) bands (ev): -11.7711 -11.7711 -11.7690 -11.7690 -11.7527 -11.7527 -11.7461 -11.7461 -9.2452 -9.2452 -9.2277 -9.2277 -9.2109 -9.2109 -9.1956 -9.1956 -9.1763 -9.1763 -9.1725 -9.1725 -5.7534 -5.7534 -5.5148 -5.5148 -1.8598 -1.8598 -1.1784 -1.1784 3.6387 3.6387 4.1643 4.1643 4.3640 4.3640 4.5508 4.5508 5.1990 5.1990 5.2984 5.2984 7.1581 7.1581 7.5920 7.5920 8.5890 8.5890 8.8970 8.8970 k =-0.2784 0.8262 0.1495 ( 4526 PWs) bands (ev): -11.7714 -11.7714 -11.7690 -11.7690 -11.7527 -11.7527 -11.7461 -11.7461 -9.2465 -9.2465 -9.2281 -9.2281 -9.2110 -9.2110 -9.1946 -9.1946 -9.1764 -9.1764 -9.1726 -9.1726 -5.7457 -5.7457 -5.5096 -5.5096 -1.8465 -1.8465 -1.1705 -1.1705 3.5828 3.5828 4.1190 4.1190 4.3294 4.3294 4.5000 4.5000 5.1394 5.1394 5.3164 5.3164 7.1760 7.1760 7.6418 7.6418 8.6550 8.6550 8.9738 8.9738 k =-0.2784 0.8262 0.1708 ( 4524 PWs) bands (ev): -11.7717 -11.7717 -11.7690 -11.7690 -11.7526 -11.7526 -11.7461 -11.7461 -9.2478 -9.2478 -9.2288 -9.2288 -9.2110 -9.2110 -9.1937 -9.1937 -9.1765 -9.1765 -9.1728 -9.1728 -5.7370 -5.7370 -5.5036 -5.5036 -1.8312 -1.8312 -1.1616 -1.1616 3.5168 3.5168 4.0697 4.0697 4.2883 4.2883 4.4628 4.4628 5.0644 5.0644 5.3305 5.3305 7.1888 7.1888 7.7143 7.7143 8.7226 8.7226 9.0615 9.0615 k =-0.2784 0.8262 0.1922 ( 4524 PWs) bands (ev): -11.7720 -11.7720 -11.7690 -11.7690 -11.7525 -11.7525 -11.7461 -11.7461 -9.2492 -9.2492 -9.2298 -9.2298 -9.2107 -9.2107 -9.1928 -9.1928 -9.1766 -9.1766 -9.1729 -9.1729 -5.7272 -5.7272 -5.4971 -5.4971 -1.8140 -1.8140 -1.1517 -1.1517 3.4424 3.4424 4.0124 4.0124 4.2455 4.2455 4.4386 4.4386 4.9832 4.9832 5.3321 5.3321 7.2024 7.2024 7.8040 7.8040 8.7915 8.7915 9.1586 9.1586 k =-0.2784 0.8262 0.2135 ( 4526 PWs) bands (ev): -11.7722 -11.7722 -11.7691 -11.7691 -11.7524 -11.7524 -11.7460 -11.7460 -9.2506 -9.2506 -9.2310 -9.2310 -9.2103 -9.2103 -9.1919 -9.1919 -9.1767 -9.1767 -9.1729 -9.1729 -5.7165 -5.7165 -5.4899 -5.4899 -1.7949 -1.7949 -1.1408 -1.1408 3.3617 3.3617 3.9434 3.9434 4.2092 4.2092 4.4223 4.4223 4.8991 4.8991 5.3193 5.3193 7.2214 7.2214 7.9055 7.9055 8.8620 8.8620 9.2632 9.2632 k =-0.2784 0.8262 0.2349 ( 4532 PWs) bands (ev): -11.7725 -11.7725 -11.7692 -11.7692 -11.7523 -11.7523 -11.7460 -11.7460 -9.2521 -9.2521 -9.2324 -9.2324 -9.2098 -9.2098 -9.1911 -9.1911 -9.1768 -9.1768 -9.1729 -9.1729 -5.7048 -5.7048 -5.4823 -5.4823 -1.7740 -1.7740 -1.1291 -1.1291 3.2769 3.2769 3.8626 3.8626 4.1821 4.1821 4.4095 4.4095 4.8148 4.8148 5.2923 5.2923 7.2484 7.2484 8.0151 8.0151 8.9347 8.9347 9.3734 9.3734 k =-0.2784 0.8262 0.2563 ( 4533 PWs) bands (ev): -11.7728 -11.7728 -11.7693 -11.7693 -11.7522 -11.7522 -11.7460 -11.7460 -9.2535 -9.2535 -9.2339 -9.2339 -9.2092 -9.2092 -9.1903 -9.1903 -9.1769 -9.1769 -9.1729 -9.1729 -5.6923 -5.6923 -5.4742 -5.4742 -1.7513 -1.7513 -1.1166 -1.1166 3.1895 3.1895 3.7730 3.7730 4.1627 4.1627 4.3972 4.3972 4.7329 4.7329 5.2523 5.2523 7.2838 7.2838 8.1299 8.1299 9.0098 9.0098 9.4875 9.4875 k =-0.2784 0.8262 0.2776 ( 4533 PWs) bands (ev): -11.7731 -11.7731 -11.7694 -11.7694 -11.7521 -11.7521 -11.7459 -11.7459 -9.2550 -9.2550 -9.2356 -9.2356 -9.2086 -9.2086 -9.1896 -9.1896 -9.1770 -9.1770 -9.1727 -9.1727 -5.6791 -5.6791 -5.4657 -5.4657 -1.7268 -1.7268 -1.1035 -1.1035 3.1011 3.1011 3.6778 3.6778 4.1477 4.1477 4.3828 4.3828 4.6567 4.6567 5.2012 5.2012 7.3272 7.3272 8.2478 8.2478 9.0875 9.0875 9.6039 9.6039 k =-0.2784 0.8262 0.2990 ( 4541 PWs) bands (ev): -11.7734 -11.7734 -11.7696 -11.7696 -11.7519 -11.7519 -11.7459 -11.7459 -9.2564 -9.2564 -9.2373 -9.2373 -9.2080 -9.2080 -9.1890 -9.1890 -9.1771 -9.1771 -9.1725 -9.1725 -5.6651 -5.6651 -5.4570 -5.4570 -1.7008 -1.7008 -1.0898 -1.0898 3.0127 3.0127 3.5794 3.5794 4.1337 4.1337 4.3635 4.3635 4.5902 4.5902 5.1411 5.1411 7.3776 7.3776 8.3673 8.3673 9.1675 9.1675 9.7212 9.7212 k =-0.2784 0.8262 0.3203 ( 4538 PWs) bands (ev): -11.7737 -11.7737 -11.7698 -11.7698 -11.7518 -11.7518 -11.7459 -11.7459 -9.2579 -9.2579 -9.2392 -9.2392 -9.2073 -9.2073 -9.1885 -9.1885 -9.1772 -9.1772 -9.1723 -9.1723 -5.6505 -5.6505 -5.4480 -5.4480 -1.6731 -1.6731 -1.0758 -1.0758 2.9251 2.9251 3.4793 3.4793 4.1168 4.1168 4.3380 4.3380 4.5378 4.5378 5.0743 5.0743 7.4336 7.4336 8.4869 8.4869 9.2494 9.2494 9.8382 9.8382 k =-0.2784 0.8262 0.3417 ( 4544 PWs) bands (ev): -11.7740 -11.7740 -11.7700 -11.7700 -11.7516 -11.7516 -11.7459 -11.7459 -9.2593 -9.2593 -9.2410 -9.2410 -9.2066 -9.2066 -9.1881 -9.1881 -9.1772 -9.1772 -9.1719 -9.1719 -5.6353 -5.6353 -5.4389 -5.4389 -1.6440 -1.6440 -1.0614 -1.0614 2.8391 2.8391 3.3787 3.3787 4.0925 4.0925 4.3089 4.3089 4.5003 4.5003 5.0031 5.0031 7.4940 7.4940 8.6054 8.6054 9.3324 9.3324 9.9537 9.9537 k =-0.2784 0.8262 0.3630 ( 4553 PWs) bands (ev): -11.7742 -11.7742 -11.7702 -11.7702 -11.7515 -11.7515 -11.7458 -11.7458 -9.2606 -9.2606 -9.2430 -9.2430 -9.2060 -9.2060 -9.1879 -9.1879 -9.1771 -9.1771 -9.1715 -9.1715 -5.6197 -5.6197 -5.4297 -5.4297 -1.6135 -1.6135 -1.0470 -1.0470 2.7551 2.7551 3.2784 3.2784 4.0568 4.0568 4.2827 4.2827 4.4743 4.4743 4.9298 4.9298 7.5577 7.5577 8.7216 8.7216 9.4155 9.4155 10.0665 10.0665 k =-0.2784 0.8262 0.3844 ( 4547 PWs) bands (ev): -11.7745 -11.7745 -11.7704 -11.7704 -11.7513 -11.7513 -11.7458 -11.7458 -9.2620 -9.2620 -9.2449 -9.2449 -9.2054 -9.2054 -9.1877 -9.1877 -9.1770 -9.1770 -9.1711 -9.1711 -5.6038 -5.6038 -5.4206 -5.4206 -1.5817 -1.5817 -1.0325 -1.0325 2.6738 2.6738 3.1791 3.1791 4.0096 4.0096 4.2640 4.2640 4.4544 4.4544 4.8567 4.8567 7.6238 7.6238 8.8344 8.8344 9.4975 9.4975 10.1757 10.1757 k =-0.2784 0.8262 0.4057 ( 4543 PWs) bands (ev): -11.7747 -11.7747 -11.7707 -11.7707 -11.7511 -11.7511 -11.7458 -11.7458 -9.2632 -9.2632 -9.2469 -9.2469 -9.2049 -9.2049 -9.1876 -9.1876 -9.1769 -9.1769 -9.1706 -9.1706 -5.5875 -5.5875 -5.4117 -5.4117 -1.5489 -1.5489 -1.0183 -1.0183 2.5955 2.5955 3.0812 3.0812 3.9544 3.9544 4.2519 4.2519 4.4365 4.4365 4.7866 4.7866 7.6916 7.6916 8.9425 8.9425 9.5770 9.5770 10.2799 10.2799 k =-0.2784 0.8262 0.4271 ( 4550 PWs) bands (ev): -11.7750 -11.7750 -11.7710 -11.7710 -11.7509 -11.7509 -11.7458 -11.7458 -9.2645 -9.2645 -9.2488 -9.2488 -9.2043 -9.2043 -9.1876 -9.1876 -9.1767 -9.1767 -9.1701 -9.1701 -5.5711 -5.5711 -5.4030 -5.4030 -1.5150 -1.5150 -1.0045 -1.0045 2.5205 2.5205 2.9852 2.9852 3.8958 3.8958 4.2426 4.2426 4.4180 4.4180 4.7224 4.7224 7.7607 7.7607 9.0443 9.0443 9.6526 9.6526 10.3781 10.3781 k =-0.2784 0.8262 0.4484 ( 4550 PWs) bands (ev): -11.7752 -11.7752 -11.7712 -11.7712 -11.7507 -11.7507 -11.7458 -11.7458 -9.2656 -9.2656 -9.2507 -9.2507 -9.2038 -9.2038 -9.1876 -9.1876 -9.1765 -9.1765 -9.1695 -9.1695 -5.5546 -5.5546 -5.3946 -5.3946 -1.4802 -1.4802 -0.9913 -0.9913 2.4493 2.4493 2.8915 2.8915 3.8370 3.8370 4.2312 4.2312 4.3981 4.3981 4.6672 4.6672 7.8305 7.8305 9.1380 9.1380 9.7235 9.7235 10.4693 10.4693 k =-0.2784 0.8262 0.4698 ( 4552 PWs) bands (ev): -11.7754 -11.7754 -11.7715 -11.7715 -11.7505 -11.7505 -11.7458 -11.7458 -9.2667 -9.2667 -9.2526 -9.2526 -9.2034 -9.2034 -9.1877 -9.1877 -9.1763 -9.1763 -9.1689 -9.1689 -5.5382 -5.5382 -5.3866 -5.3866 -1.4448 -1.4448 -0.9789 -0.9789 2.3820 2.3820 2.8005 2.8005 3.7803 3.7803 4.2123 4.2123 4.3790 4.3790 4.6233 4.6233 7.9009 7.9009 9.2214 9.2214 9.7891 9.7891 10.5529 10.5529 k =-0.2784 0.8262 0.4911 ( 4550 PWs) bands (ev): -11.7756 -11.7756 -11.7718 -11.7718 -11.7504 -11.7504 -11.7458 -11.7458 -9.2677 -9.2677 -9.2545 -9.2545 -9.2030 -9.2030 -9.1878 -9.1878 -9.1760 -9.1760 -9.1683 -9.1683 -5.5218 -5.5218 -5.3792 -5.3792 -1.4089 -1.4089 -0.9675 -0.9675 2.3190 2.3190 2.7126 2.7126 3.7269 3.7269 4.1807 4.1807 4.3650 4.3650 4.5906 4.5906 7.9716 7.9716 9.2922 9.2922 9.8498 9.8498 10.6292 10.6292 k =-0.2784 0.8262 0.5125 ( 4561 PWs) bands (ev): -11.7758 -11.7758 -11.7721 -11.7721 -11.7502 -11.7502 -11.7458 -11.7458 -9.2686 -9.2686 -9.2563 -9.2563 -9.2027 -9.2027 -9.1879 -9.1879 -9.1758 -9.1758 -9.1677 -9.1677 -5.5057 -5.5057 -5.3724 -5.3724 -1.3727 -1.3727 -0.9573 -0.9573 2.2606 2.2606 2.6282 2.6282 3.6777 3.6777 4.1358 4.1358 4.3585 4.3585 4.5671 4.5671 8.0424 8.0424 9.3479 9.3479 9.9070 9.9070 10.6992 10.6992 k =-0.2784 0.8262 0.5339 ( 4557 PWs) bands (ev): -11.7760 -11.7760 -11.7723 -11.7723 -11.7500 -11.7500 -11.7458 -11.7458 -9.2695 -9.2695 -9.2580 -9.2580 -9.2024 -9.2024 -9.1880 -9.1880 -9.1755 -9.1755 -9.1672 -9.1672 -5.4899 -5.4899 -5.3662 -5.3662 -1.3364 -1.3364 -0.9486 -0.9486 2.2070 2.2070 2.5475 2.5475 3.6334 3.6334 4.0814 4.0814 4.3585 4.3585 4.5501 4.5501 8.1133 8.1133 9.3864 9.3864 9.9624 9.9624 10.7638 10.7638 k =-0.2784 0.8262 0.5552 ( 4549 PWs) bands (ev): -11.7762 -11.7762 -11.7726 -11.7726 -11.7498 -11.7498 -11.7458 -11.7458 -9.2702 -9.2702 -9.2597 -9.2597 -9.2021 -9.2021 -9.1881 -9.1881 -9.1752 -9.1752 -9.1666 -9.1666 -5.4746 -5.4746 -5.3609 -5.3609 -1.3002 -1.3002 -0.9416 -0.9416 2.1584 2.1584 2.4710 2.4710 3.5944 3.5944 4.0221 4.0221 4.3627 4.3627 4.5372 4.5372 8.1840 8.1840 9.4073 9.4073 10.0171 10.0171 10.8238 10.8238 k =-0.2784 0.8262 0.5766 ( 4551 PWs) bands (ev): -11.7763 -11.7763 -11.7728 -11.7728 -11.7496 -11.7496 -11.7458 -11.7458 -9.2708 -9.2708 -9.2613 -9.2613 -9.2019 -9.2019 -9.1883 -9.1883 -9.1750 -9.1750 -9.1661 -9.1661 -5.4597 -5.4597 -5.3564 -5.3564 -1.2644 -1.2644 -0.9364 -0.9364 2.1151 2.1151 2.3990 2.3990 3.5610 3.5610 3.9610 3.9610 4.3694 4.3694 4.5269 4.5269 8.2544 8.2544 9.4112 9.4112 10.0713 10.0713 10.8793 10.8793 k =-0.2784 0.8262 0.5979 ( 4553 PWs) bands (ev): -11.7764 -11.7764 -11.7731 -11.7731 -11.7495 -11.7495 -11.7459 -11.7459 -9.2714 -9.2714 -9.2628 -9.2628 -9.2017 -9.2017 -9.1884 -9.1884 -9.1748 -9.1748 -9.1656 -9.1656 -5.4455 -5.4455 -5.3528 -5.3528 -1.2293 -1.2293 -0.9334 -0.9334 2.0773 2.0773 2.3319 2.3319 3.5334 3.5334 3.9005 3.9005 4.3776 4.3776 4.5182 4.5182 8.3243 8.3243 9.4004 9.4004 10.1243 10.1243 10.9300 10.9300 k =-0.2784 0.8262 0.6193 ( 4555 PWs) bands (ev): -11.7765 -11.7765 -11.7733 -11.7733 -11.7493 -11.7493 -11.7459 -11.7459 -9.2718 -9.2718 -9.2642 -9.2642 -9.2015 -9.2015 -9.1885 -9.1885 -9.1746 -9.1746 -9.1652 -9.1652 -5.4320 -5.4320 -5.3502 -5.3502 -1.1950 -1.1950 -0.9326 -0.9326 2.0452 2.0452 2.2699 2.2699 3.5117 3.5117 3.8420 3.8420 4.3868 4.3868 4.5104 4.5104 8.3932 8.3932 9.3776 9.3776 10.1749 10.1749 10.9753 10.9753 k =-0.2784 0.8262 0.6406 ( 4556 PWs) bands (ev): -11.7766 -11.7766 -11.7735 -11.7735 -11.7492 -11.7492 -11.7459 -11.7459 -9.2721 -9.2721 -9.2654 -9.2654 -9.2014 -9.2014 -9.1885 -9.1885 -9.1744 -9.1744 -9.1648 -9.1648 -5.4193 -5.4193 -5.3487 -5.3487 -1.1619 -1.1619 -0.9343 -0.9343 2.0190 2.0190 2.2134 2.2134 3.4961 3.4961 3.7866 3.7866 4.3964 4.3964 4.5030 4.5030 8.4607 8.4607 9.3455 9.3455 10.2216 10.2216 11.0146 11.0146 k =-0.2784 0.8262 0.6620 ( 4558 PWs) bands (ev): -11.7767 -11.7767 -11.7736 -11.7736 -11.7490 -11.7490 -11.7460 -11.7460 -9.2723 -9.2723 -9.2666 -9.2666 -9.2013 -9.2013 -9.1886 -9.1886 -9.1742 -9.1742 -9.1645 -9.1645 -5.4075 -5.4075 -5.3483 -5.3483 -1.1303 -1.1303 -0.9386 -0.9386 1.9988 1.9988 2.1628 2.1628 3.4865 3.4865 3.7350 3.7350 4.4062 4.4062 4.4957 4.4957 8.5261 8.5261 9.3070 9.3070 10.2632 10.2632 11.0476 11.0476 k =-0.2784 0.8262 0.6833 ( 4564 PWs) bands (ev): -11.7768 -11.7768 -11.7738 -11.7738 -11.7489 -11.7489 -11.7460 -11.7460 -9.2724 -9.2724 -9.2676 -9.2676 -9.2012 -9.2012 -9.1887 -9.1887 -9.1741 -9.1741 -9.1642 -9.1642 -5.3966 -5.3966 -5.3490 -5.3490 -1.1003 -1.1003 -0.9456 -0.9456 1.9847 1.9847 2.1183 2.1183 3.4828 3.4828 3.6879 3.6879 4.4159 4.4159 4.4884 4.4884 8.5881 8.5881 9.2651 9.2651 10.2987 10.2987 11.0741 11.0741 k =-0.2784 0.8262 0.7047 ( 4568 PWs) bands (ev): -11.7768 -11.7768 -11.7739 -11.7739 -11.7488 -11.7488 -11.7460 -11.7460 -9.2724 -9.2724 -9.2685 -9.2685 -9.2011 -9.2011 -9.1887 -9.1887 -9.1740 -9.1740 -9.1640 -9.1640 -5.3867 -5.3867 -5.3508 -5.3508 -1.0722 -1.0722 -0.9554 -0.9554 1.9767 1.9767 2.0803 2.0803 3.4847 3.4847 3.6462 3.6462 4.4254 4.4254 4.4811 4.4811 8.6446 8.6446 9.2229 9.2229 10.3271 10.3271 11.0943 11.0943 k =-0.2784 0.8262 0.7260 ( 4576 PWs) bands (ev): -11.7768 -11.7768 -11.7740 -11.7740 -11.7488 -11.7488 -11.7460 -11.7460 -9.2723 -9.2723 -9.2693 -9.2693 -9.2011 -9.2011 -9.1887 -9.1887 -9.1739 -9.1739 -9.1638 -9.1638 -5.3779 -5.3779 -5.3539 -5.3539 -1.0464 -1.0464 -0.9681 -0.9681 1.9746 1.9746 2.0494 2.0494 3.4913 3.4913 3.6109 3.6109 4.4345 4.4345 4.4737 4.4737 8.6921 8.6921 9.1851 9.1851 10.3478 10.3478 11.1084 11.1084 k =-0.2784 0.8262 0.7474 ( 4572 PWs) bands (ev): -11.7769 -11.7769 -11.7740 -11.7740 -11.7487 -11.7487 -11.7461 -11.7461 -9.2722 -9.2722 -9.2698 -9.2698 -9.2011 -9.2011 -9.1888 -9.1888 -9.1738 -9.1738 -9.1637 -9.1637 -5.3701 -5.3701 -5.3581 -5.3581 -1.0229 -1.0229 -0.9835 -0.9835 1.9769 1.9769 2.0271 2.0271 3.5003 3.5003 3.5846 3.5846 4.4423 4.4423 4.4669 4.4669 8.7252 8.7252 9.1576 9.1576 10.3605 10.3605 11.1167 11.1167 k =-0.2784 0.8262 0.7688 ( 4572 PWs) bands (ev): -11.7769 -11.7769 -11.7741 -11.7741 -11.7487 -11.7487 -11.7461 -11.7461 -9.2721 -9.2721 -9.2699 -9.2699 -9.2010 -9.2010 -9.1888 -9.1888 -9.1738 -9.1738 -9.1637 -9.1637 -5.3638 -5.3638 -5.3633 -5.3633 -1.0032 -1.0032 -1.0005 -1.0005 1.9794 1.9794 2.0180 2.0180 3.5054 3.5054 3.5737 3.5737 4.4463 4.4463 4.4633 4.4633 8.7373 8.7373 9.1473 9.1473 10.3647 10.3647 11.1194 11.1194 k =-0.2784 0.8262 0.7688 ( 4572 PWs) bands (ev): -11.7769 -11.7769 -11.7741 -11.7741 -11.7487 -11.7487 -11.7461 -11.7461 -9.2721 -9.2721 -9.2699 -9.2699 -9.2010 -9.2010 -9.1888 -9.1888 -9.1738 -9.1738 -9.1637 -9.1637 -5.3638 -5.3638 -5.3633 -5.3633 -1.0032 -1.0032 -1.0005 -1.0005 1.9794 1.9794 2.0180 2.0180 3.5054 3.5054 3.5737 3.5737 4.4463 4.4463 4.4633 4.4633 8.7373 8.7373 9.1473 9.1473 10.3647 10.3647 11.1194 11.1194 k =-0.2851 0.8062 0.7688 ( 4576 PWs) bands (ev): -11.7769 -11.7769 -11.7738 -11.7738 -11.7488 -11.7488 -11.7460 -11.7460 -9.2720 -9.2720 -9.2689 -9.2689 -9.2014 -9.2014 -9.1884 -9.1884 -9.1741 -9.1741 -9.1639 -9.1639 -5.3687 -5.3687 -5.3683 -5.3683 -1.0227 -1.0227 -1.0197 -1.0197 2.0088 2.0088 2.0453 2.0453 3.5401 3.5401 3.6105 3.6105 4.4592 4.4592 4.4828 4.4828 8.6752 8.6752 9.0940 9.0940 10.3495 10.3495 11.1239 11.1239 k =-0.2918 0.7863 0.7688 ( 4580 PWs) bands (ev): -11.7769 -11.7769 -11.7736 -11.7736 -11.7489 -11.7489 -11.7460 -11.7460 -9.2718 -9.2718 -9.2677 -9.2677 -9.2018 -9.2018 -9.1880 -9.1880 -9.1744 -9.1744 -9.1641 -9.1641 -5.3747 -5.3747 -5.3744 -5.3744 -1.0447 -1.0447 -1.0414 -1.0414 2.0441 2.0441 2.0787 2.0787 3.5800 3.5800 3.6529 3.6529 4.4714 4.4714 4.5020 4.5020 8.6113 8.6113 9.0381 9.0381 10.3292 10.3292 11.1198 11.1198 k =-0.2985 0.7664 0.7688 ( 4580 PWs) bands (ev): -11.7769 -11.7769 -11.7734 -11.7734 -11.7490 -11.7490 -11.7459 -11.7459 -9.2714 -9.2714 -9.2664 -9.2664 -9.2021 -9.2021 -9.1876 -9.1876 -9.1748 -9.1748 -9.1644 -9.1644 -5.3817 -5.3817 -5.3814 -5.3814 -1.0687 -1.0687 -1.0652 -1.0652 2.0852 2.0852 2.1179 2.1179 3.6248 3.6248 3.7007 3.7007 4.4829 4.4829 4.5211 4.5211 8.5458 8.5458 8.9797 8.9797 10.3036 10.3036 11.1047 11.1047 k =-0.3052 0.7465 0.7688 ( 4570 PWs) bands (ev): -11.7769 -11.7769 -11.7731 -11.7731 -11.7491 -11.7491 -11.7459 -11.7459 -9.2709 -9.2709 -9.2651 -9.2651 -9.2025 -9.2025 -9.1873 -9.1873 -9.1751 -9.1751 -9.1647 -9.1647 -5.3896 -5.3896 -5.3894 -5.3894 -1.0945 -1.0945 -1.0909 -1.0909 2.1319 2.1319 2.1629 2.1629 3.6742 3.6742 3.7537 3.7537 4.4937 4.4937 4.5402 4.5402 8.4787 8.4787 8.9191 8.9191 10.2725 10.2725 11.0766 11.0766 k =-0.3120 0.7265 0.7688 ( 4570 PWs) bands (ev): -11.7769 -11.7769 -11.7729 -11.7729 -11.7492 -11.7492 -11.7459 -11.7459 -9.2703 -9.2703 -9.2636 -9.2636 -9.2028 -9.2028 -9.1870 -9.1870 -9.1755 -9.1755 -9.1650 -9.1650 -5.3983 -5.3983 -5.3983 -5.3983 -1.1219 -1.1219 -1.1181 -1.1181 2.1840 2.1840 2.2134 2.2134 3.7277 3.7277 3.8117 3.8117 4.5038 4.5038 4.5596 4.5596 8.4103 8.4103 8.8564 8.8564 10.2358 10.2358 11.0346 11.0346 k =-0.3187 0.7066 0.7688 ( 4566 PWs) bands (ev): -11.7768 -11.7768 -11.7726 -11.7726 -11.7493 -11.7493 -11.7459 -11.7459 -9.2696 -9.2696 -9.2621 -9.2621 -9.2031 -9.2031 -9.1868 -9.1868 -9.1758 -9.1758 -9.1654 -9.1654 -5.4080 -5.4080 -5.4079 -5.4079 -1.1506 -1.1506 -1.1466 -1.1466 2.2412 2.2412 2.2690 2.2690 3.7848 3.7848 3.8742 3.8742 4.5133 4.5133 4.5794 4.5794 8.3407 8.3407 8.7918 8.7918 10.1933 10.1933 10.9790 10.9790 k =-0.3254 0.6867 0.7688 ( 4570 PWs) bands (ev): -11.7768 -11.7768 -11.7724 -11.7724 -11.7494 -11.7494 -11.7459 -11.7459 -9.2688 -9.2688 -9.2605 -9.2605 -9.2035 -9.2035 -9.1866 -9.1866 -9.1762 -9.1762 -9.1658 -9.1658 -5.4184 -5.4184 -5.4182 -5.4182 -1.1802 -1.1802 -1.1762 -1.1762 2.3032 2.3032 2.3296 2.3296 3.8450 3.8450 3.9410 3.9410 4.5223 4.5223 4.5999 4.5999 8.2698 8.2698 8.7255 8.7255 10.1454 10.1454 10.9116 10.9116 k =-0.3321 0.6667 0.7688 ( 4566 PWs) bands (ev): -11.7767 -11.7767 -11.7721 -11.7721 -11.7495 -11.7495 -11.7459 -11.7459 -9.2680 -9.2680 -9.2588 -9.2588 -9.2038 -9.2038 -9.1865 -9.1865 -9.1764 -9.1764 -9.1662 -9.1662 -5.4294 -5.4294 -5.4291 -5.4291 -1.2105 -1.2105 -1.2065 -1.2065 2.3700 2.3700 2.3950 2.3950 3.9074 3.9074 4.0115 4.0115 4.5309 4.5309 4.6217 4.6217 8.1978 8.1978 8.6575 8.6575 10.0923 10.0923 10.8346 10.8346 k =-0.3388 0.6468 0.7688 ( 4558 PWs) bands (ev): -11.7765 -11.7765 -11.7719 -11.7719 -11.7496 -11.7496 -11.7459 -11.7459 -9.2670 -9.2670 -9.2571 -9.2571 -9.2042 -9.2042 -9.1865 -9.1865 -9.1767 -9.1767 -9.1667 -9.1667 -5.4409 -5.4409 -5.4406 -5.4406 -1.2413 -1.2413 -1.2372 -1.2372 2.4411 2.4411 2.4648 2.4648 3.9712 3.9712 4.0851 4.0851 4.5393 4.5393 4.6453 4.6453 8.1247 8.1247 8.5878 8.5878 10.0343 10.0343 10.7499 10.7499 k =-0.3455 0.6269 0.7688 ( 4554 PWs) bands (ev): -11.7764 -11.7764 -11.7716 -11.7716 -11.7496 -11.7496 -11.7459 -11.7459 -9.2659 -9.2659 -9.2554 -9.2554 -9.2045 -9.2045 -9.1866 -9.1866 -9.1768 -9.1768 -9.1671 -9.1671 -5.4529 -5.4529 -5.4525 -5.4525 -1.2722 -1.2722 -1.2682 -1.2682 2.5164 2.5164 2.5389 2.5389 4.0354 4.0354 4.1612 4.1612 4.5480 4.5480 4.6715 4.6715 8.0507 8.0507 8.5165 8.5165 9.9720 9.9720 10.6594 10.6594 k =-0.3523 0.6069 0.7688 ( 4554 PWs) bands (ev): -11.7762 -11.7762 -11.7714 -11.7714 -11.7497 -11.7497 -11.7460 -11.7460 -9.2648 -9.2648 -9.2536 -9.2536 -9.2049 -9.2049 -9.1869 -9.1869 -9.1769 -9.1769 -9.1676 -9.1676 -5.4653 -5.4653 -5.4648 -5.4648 -1.3032 -1.3032 -1.2992 -1.2992 2.5956 2.5956 2.6169 2.6169 4.0987 4.0987 4.2385 4.2385 4.5578 4.5578 4.7011 4.7011 7.9758 7.9758 8.4437 8.4437 9.9061 9.9061 10.5645 10.5645 k =-0.3590 0.5870 0.7688 ( 4550 PWs) bands (ev): -11.7761 -11.7761 -11.7712 -11.7712 -11.7498 -11.7498 -11.7460 -11.7460 -9.2636 -9.2636 -9.2518 -9.2518 -9.2053 -9.2053 -9.1872 -9.1872 -9.1769 -9.1769 -9.1680 -9.1680 -5.4779 -5.4779 -5.4773 -5.4773 -1.3339 -1.3339 -1.3299 -1.3299 2.6786 2.6786 2.6987 2.6987 4.1597 4.1597 4.3149 4.3149 4.5702 4.5702 4.7351 4.7351 7.9001 7.9001 8.3694 8.3694 9.8371 9.8371 10.4665 10.4665 k =-0.3657 0.5671 0.7688 ( 4550 PWs) bands (ev): -11.7759 -11.7759 -11.7710 -11.7710 -11.7498 -11.7498 -11.7461 -11.7461 -9.2624 -9.2624 -9.2500 -9.2500 -9.2056 -9.2056 -9.1876 -9.1876 -9.1767 -9.1767 -9.1684 -9.1684 -5.4906 -5.4906 -5.4901 -5.4901 -1.3641 -1.3641 -1.3603 -1.3603 2.7651 2.7651 2.7841 2.7841 4.2168 4.2168 4.3864 4.3864 4.5891 4.5891 4.7746 4.7746 7.8238 7.8238 8.2937 8.2937 9.7659 9.7659 10.3666 10.3666 k =-0.3724 0.5472 0.7688 ( 4558 PWs) bands (ev): -11.7757 -11.7757 -11.7708 -11.7708 -11.7498 -11.7498 -11.7461 -11.7461 -9.2611 -9.2611 -9.2482 -9.2482 -9.2060 -9.2060 -9.1882 -9.1882 -9.1766 -9.1766 -9.1689 -9.1689 -5.5035 -5.5035 -5.5029 -5.5029 -1.3938 -1.3938 -1.3901 -1.3901 2.8549 2.8549 2.8727 2.8727 4.2689 4.2689 4.4451 4.4451 4.6214 4.6214 4.8204 4.8204 7.7470 7.7470 8.2167 8.2167 9.6931 9.6931 10.2655 10.2655 k =-0.3791 0.5272 0.7688 ( 4554 PWs) bands (ev): -11.7755 -11.7755 -11.7706 -11.7706 -11.7499 -11.7499 -11.7462 -11.7462 -9.2598 -9.2598 -9.2465 -9.2465 -9.2064 -9.2064 -9.1888 -9.1888 -9.1763 -9.1763 -9.1692 -9.1692 -5.5163 -5.5163 -5.5156 -5.5156 -1.4227 -1.4227 -1.4191 -1.4191 2.9478 2.9478 2.9643 2.9643 4.3149 4.3149 4.4840 4.4840 4.6740 4.6740 4.8729 4.8729 7.6701 7.6701 8.1387 8.1387 9.6195 9.6195 10.1640 10.1640 k =-0.3858 0.5073 0.7688 ( 4554 PWs) bands (ev): -11.7753 -11.7753 -11.7704 -11.7704 -11.7499 -11.7499 -11.7463 -11.7463 -9.2584 -9.2584 -9.2447 -9.2447 -9.2067 -9.2067 -9.1895 -9.1895 -9.1760 -9.1760 -9.1696 -9.1696 -5.5290 -5.5290 -5.5283 -5.5283 -1.4508 -1.4508 -1.4473 -1.4473 3.0436 3.0436 3.0587 3.0587 4.3546 4.3546 4.5053 4.5053 4.7435 4.7435 4.9316 4.9316 7.5935 7.5935 8.0599 8.0599 9.5457 9.5457 10.0628 10.0628 k =-0.3926 0.4874 0.7688 ( 4548 PWs) bands (ev): -11.7751 -11.7751 -11.7703 -11.7703 -11.7499 -11.7499 -11.7464 -11.7464 -9.2570 -9.2570 -9.2431 -9.2431 -9.2071 -9.2071 -9.1903 -9.1903 -9.1757 -9.1757 -9.1699 -9.1699 -5.5416 -5.5416 -5.5408 -5.5408 -1.4777 -1.4777 -1.4744 -1.4744 3.1419 3.1419 3.1556 3.1556 4.3883 4.3883 4.5169 4.5169 4.8215 4.8215 4.9954 4.9954 7.5176 7.5176 7.9809 7.9809 9.4722 9.4722 9.9624 9.9624 k =-0.3993 0.4674 0.7688 ( 4548 PWs) bands (ev): -11.7748 -11.7748 -11.7702 -11.7702 -11.7499 -11.7499 -11.7465 -11.7465 -9.2555 -9.2555 -9.2414 -9.2414 -9.2075 -9.2075 -9.1911 -9.1911 -9.1753 -9.1753 -9.1702 -9.1702 -5.5538 -5.5538 -5.5530 -5.5530 -1.5036 -1.5036 -1.5004 -1.5004 3.2426 3.2426 3.2546 3.2546 4.4167 4.4167 4.5236 4.5236 4.9023 4.9023 5.0627 5.0627 7.4432 7.4432 7.9022 7.9022 9.3996 9.3996 9.8632 9.8632 k =-0.4060 0.4475 0.7688 ( 4556 PWs) bands (ev): -11.7746 -11.7746 -11.7701 -11.7701 -11.7498 -11.7498 -11.7466 -11.7466 -9.2541 -9.2541 -9.2399 -9.2399 -9.2079 -9.2079 -9.1920 -9.1920 -9.1749 -9.1749 -9.1705 -9.1705 -5.5656 -5.5656 -5.5649 -5.5649 -1.5282 -1.5282 -1.5252 -1.5252 3.3454 3.3454 3.3554 3.3554 4.4406 4.4406 4.5275 4.5275 4.9824 4.9824 5.1313 5.1313 7.3713 7.3713 7.8246 7.8246 9.3280 9.3280 9.7654 9.7654 k =-0.4127 0.4276 0.7688 ( 4552 PWs) bands (ev): -11.7744 -11.7744 -11.7701 -11.7701 -11.7498 -11.7498 -11.7467 -11.7467 -9.2526 -9.2526 -9.2385 -9.2385 -9.2082 -9.2082 -9.1929 -9.1929 -9.1745 -9.1745 -9.1707 -9.1707 -5.5770 -5.5770 -5.5763 -5.5763 -1.5514 -1.5514 -1.5486 -1.5486 3.4500 3.4500 3.4576 3.4576 4.4612 4.4612 4.5298 4.5298 5.0597 5.0597 5.1988 5.1988 7.3032 7.3032 7.7492 7.7492 9.2578 9.2578 9.6693 9.6693 k =-0.4194 0.4076 0.7688 ( 4546 PWs) bands (ev): -11.7741 -11.7741 -11.7700 -11.7700 -11.7497 -11.7497 -11.7468 -11.7468 -9.2511 -9.2511 -9.2372 -9.2372 -9.2085 -9.2085 -9.1938 -9.1938 -9.1742 -9.1742 -9.1709 -9.1709 -5.5879 -5.5879 -5.5871 -5.5871 -1.5732 -1.5732 -1.5706 -1.5706 3.5559 3.5559 3.5607 3.5607 4.4792 4.4792 4.5311 4.5311 5.1320 5.1320 5.2628 5.2628 7.2402 7.2402 7.6770 7.6770 9.1890 9.1890 9.5748 9.5748 k =-0.4261 0.3877 0.7688 ( 4546 PWs) bands (ev): -11.7739 -11.7739 -11.7700 -11.7700 -11.7497 -11.7497 -11.7469 -11.7469 -9.2497 -9.2497 -9.2360 -9.2360 -9.2087 -9.2087 -9.1948 -9.1948 -9.1738 -9.1738 -9.1710 -9.1710 -5.5982 -5.5982 -5.5974 -5.5974 -1.5935 -1.5935 -1.5911 -1.5911 3.6630 3.6630 3.6642 3.6642 4.4954 4.4954 4.5317 4.5317 5.1973 5.1973 5.3203 5.3203 7.1844 7.1844 7.6095 7.6095 9.1218 9.1218 9.4821 9.4821 k =-0.4328 0.3678 0.7688 ( 4548 PWs) bands (ev): -11.7736 -11.7736 -11.7700 -11.7700 -11.7496 -11.7496 -11.7470 -11.7470 -9.2482 -9.2482 -9.2351 -9.2351 -9.2089 -9.2089 -9.1957 -9.1957 -9.1734 -9.1734 -9.1711 -9.1711 -5.6078 -5.6078 -5.6071 -5.6071 -1.6122 -1.6122 -1.6100 -1.6100 3.7673 3.7673 3.7705 3.7705 4.5108 4.5108 4.5319 4.5319 5.2537 5.2537 5.3687 5.3687 7.1379 7.1379 7.5480 7.5480 9.0562 9.0562 9.3910 9.3910 k =-0.4396 0.3479 0.7688 ( 4552 PWs) bands (ev): -11.7734 -11.7734 -11.7701 -11.7701 -11.7495 -11.7495 -11.7471 -11.7471 -9.2468 -9.2468 -9.2342 -9.2342 -9.2090 -9.2090 -9.1967 -9.1967 -9.1731 -9.1731 -9.1712 -9.1712 -5.6166 -5.6166 -5.6160 -5.6160 -1.6293 -1.6293 -1.6273 -1.6273 3.8691 3.8691 3.8779 3.8779 4.5259 4.5259 4.5319 4.5319 5.2994 5.2994 5.4049 5.4049 7.1027 7.1027 7.4939 7.4939 8.9924 8.9924 9.3016 9.3016 k =-0.4463 0.3279 0.7688 ( 4552 PWs) bands (ev): -11.7731 -11.7731 -11.7701 -11.7701 -11.7494 -11.7494 -11.7472 -11.7472 -9.2453 -9.2453 -9.2336 -9.2336 -9.2090 -9.2090 -9.1977 -9.1977 -9.1727 -9.1727 -9.1712 -9.1712 -5.6247 -5.6247 -5.6241 -5.6241 -1.6447 -1.6447 -1.6430 -1.6430 3.9683 3.9683 3.9844 3.9844 4.5323 4.5323 4.5419 4.5419 5.3325 5.3325 5.4268 5.4268 7.0806 7.0806 7.4483 7.4483 8.9309 8.9309 9.2141 9.2141 k =-0.4530 0.3080 0.7688 ( 4556 PWs) bands (ev): -11.7729 -11.7729 -11.7702 -11.7702 -11.7493 -11.7493 -11.7474 -11.7474 -9.2439 -9.2439 -9.2332 -9.2332 -9.2089 -9.2089 -9.1986 -9.1986 -9.1724 -9.1724 -9.1712 -9.1712 -5.6320 -5.6320 -5.6314 -5.6314 -1.6584 -1.6584 -1.6569 -1.6569 4.0631 4.0631 4.0885 4.0885 4.5336 4.5336 4.5598 4.5598 5.3519 5.3519 5.4329 5.4329 7.0728 7.0728 7.4115 7.4115 8.8725 8.8725 9.1287 9.1287 k =-0.4597 0.2881 0.7688 ( 4554 PWs) bands (ev): -11.7726 -11.7726 -11.7703 -11.7703 -11.7491 -11.7491 -11.7475 -11.7475 -9.2426 -9.2426 -9.2330 -9.2330 -9.2086 -9.2086 -9.1996 -9.1996 -9.1722 -9.1722 -9.1712 -9.1712 -5.6383 -5.6383 -5.6379 -5.6379 -1.6703 -1.6703 -1.6690 -1.6690 4.1512 4.1512 4.1881 4.1881 4.5371 4.5371 4.5811 4.5811 5.3571 5.3571 5.4229 5.4229 7.0789 7.0789 7.3832 7.3832 8.8182 8.8182 9.0463 9.0463 k =-0.4664 0.2681 0.7688 ( 4566 PWs) bands (ev): -11.7724 -11.7724 -11.7704 -11.7704 -11.7490 -11.7490 -11.7476 -11.7476 -9.2413 -9.2413 -9.2330 -9.2330 -9.2083 -9.2083 -9.2006 -9.2006 -9.1719 -9.1719 -9.1712 -9.1712 -5.6438 -5.6438 -5.6434 -5.6434 -1.6804 -1.6804 -1.6793 -1.6793 4.2294 4.2294 4.2791 4.2791 4.5456 4.5456 4.6075 4.6075 5.3487 5.3487 5.3985 5.3985 7.0975 7.0975 7.3620 7.3620 8.7700 8.7700 8.9678 8.9678 k =-0.4731 0.2482 0.7688 ( 4556 PWs) bands (ev): -11.7721 -11.7721 -11.7706 -11.7706 -11.7489 -11.7489 -11.7478 -11.7478 -9.2400 -9.2400 -9.2332 -9.2332 -9.2078 -9.2078 -9.2015 -9.2015 -9.1717 -9.1717 -9.1712 -9.1712 -5.6483 -5.6483 -5.6479 -5.6479 -1.6887 -1.6887 -1.6878 -1.6878 4.2947 4.2947 4.3536 4.3536 4.5652 4.5652 4.6398 4.6398 5.3288 5.3288 5.3627 5.3627 7.1257 7.1257 7.3454 7.3454 8.7299 8.7299 8.8948 8.8948 k =-0.4799 0.2283 0.7688 ( 4560 PWs) bands (ev): -11.7719 -11.7719 -11.7707 -11.7707 -11.7487 -11.7487 -11.7479 -11.7479 -9.2388 -9.2388 -9.2336 -9.2336 -9.2073 -9.2073 -9.2025 -9.2025 -9.1715 -9.1715 -9.1712 -9.1712 -5.6518 -5.6518 -5.6515 -5.6515 -1.6952 -1.6952 -1.6945 -1.6945 4.3452 4.3452 4.4017 4.4017 4.6026 4.6026 4.6764 4.6764 5.3006 5.3006 5.3204 5.3204 7.1603 7.1603 7.3303 7.3303 8.7007 8.7007 8.8291 8.8291 k =-0.4866 0.2083 0.7688 ( 4564 PWs) bands (ev): -11.7717 -11.7717 -11.7709 -11.7709 -11.7486 -11.7486 -11.7480 -11.7480 -9.2377 -9.2377 -9.2341 -9.2341 -9.2066 -9.2066 -9.2034 -9.2034 -9.1714 -9.1714 -9.1712 -9.1712 -5.6543 -5.6543 -5.6541 -5.6541 -1.6998 -1.6998 -1.6993 -1.6993 4.3814 4.3814 4.4230 4.4230 4.6538 4.6538 4.7110 4.7110 5.2699 5.2699 5.2787 5.2787 7.1973 7.1973 7.3135 7.3135 8.6846 8.6846 8.7729 8.7729 k =-0.4933 0.1884 0.7688 ( 4568 PWs) bands (ev): -11.7715 -11.7715 -11.7711 -11.7711 -11.7485 -11.7485 -11.7482 -11.7482 -9.2366 -9.2366 -9.2348 -9.2348 -9.2059 -9.2059 -9.2043 -9.2043 -9.1713 -9.1713 -9.1712 -9.1712 -5.6558 -5.6558 -5.6557 -5.6557 -1.7025 -1.7025 -1.7022 -1.7022 4.4058 4.4058 4.4272 4.4272 4.7018 4.7018 4.7329 4.7329 5.2447 5.2447 5.2471 5.2471 7.2334 7.2334 7.2924 7.2924 8.6835 8.6835 8.7286 8.7286 k =-0.5000 0.1685 0.7688 ( 4568 PWs) bands (ev): -11.7713 -11.7713 -11.7713 -11.7713 -11.7483 -11.7483 -11.7483 -11.7483 -9.2357 -9.2357 -9.2357 -9.2357 -9.2051 -9.2051 -9.2051 -9.2051 -9.1712 -9.1712 -9.1712 -9.1712 -5.6563 -5.6563 -5.6563 -5.6563 -1.7033 -1.7033 -1.7033 -1.7033 4.4208 4.4208 4.4208 4.4208 4.7309 4.7309 4.7309 4.7309 5.2349 5.2349 5.2349 5.2349 7.2657 7.2657 7.2657 7.2657 8.6983 8.6983 8.6983 8.6983 k =-0.5000 0.1685 0.7688 ( 4568 PWs) bands (ev): -11.7713 -11.7713 -11.7713 -11.7713 -11.7483 -11.7483 -11.7483 -11.7483 -9.2357 -9.2357 -9.2357 -9.2357 -9.2051 -9.2051 -9.2051 -9.2051 -9.1712 -9.1712 -9.1712 -9.1712 -5.6563 -5.6563 -5.6563 -5.6563 -1.7033 -1.7033 -1.7033 -1.7033 4.4208 4.4208 4.4208 4.4208 4.7309 4.7309 4.7309 4.7309 5.2349 5.2349 5.2349 5.2349 7.2657 7.2657 7.2657 7.2657 8.6983 8.6983 8.6983 8.6983 k =-0.5000 0.1685 0.7474 ( 4564 PWs) bands (ev): -11.7714 -11.7714 -11.7711 -11.7711 -11.7486 -11.7486 -11.7480 -11.7480 -9.2370 -9.2370 -9.2344 -9.2344 -9.2054 -9.2054 -9.2048 -9.2048 -9.1719 -9.1719 -9.1706 -9.1706 -5.6911 -5.6911 -5.6223 -5.6223 -1.7411 -1.7411 -1.6623 -1.6623 4.3852 4.3852 4.4519 4.4519 4.6917 4.6917 4.7688 4.7688 5.1768 5.1768 5.2952 5.2952 7.1931 7.1931 7.3396 7.3396 8.6679 8.6679 8.7310 8.7310 k =-0.5000 0.1685 0.7260 ( 4558 PWs) bands (ev): -11.7715 -11.7715 -11.7710 -11.7710 -11.7490 -11.7490 -11.7477 -11.7477 -9.2383 -9.2383 -9.2331 -9.2331 -9.2057 -9.2057 -9.2046 -9.2046 -9.1725 -9.1725 -9.1700 -9.1700 -5.7267 -5.7267 -5.5893 -5.5893 -1.7755 -1.7755 -1.6182 -1.6182 4.3462 4.3462 4.4769 4.4769 4.6517 4.6517 4.8046 4.8046 5.1226 5.1226 5.3560 5.3560 7.1232 7.1232 7.4136 7.4136 8.6413 8.6413 8.7643 8.7643 k =-0.5000 0.1685 0.7047 ( 4550 PWs) bands (ev): -11.7716 -11.7716 -11.7709 -11.7709 -11.7493 -11.7493 -11.7475 -11.7475 -9.2396 -9.2396 -9.2318 -9.2318 -9.2061 -9.2061 -9.2044 -9.2044 -9.1731 -9.1731 -9.1694 -9.1694 -5.7628 -5.7628 -5.5574 -5.5574 -1.8065 -1.8065 -1.5711 -1.5711 4.3046 4.3046 4.4931 4.4931 4.6124 4.6124 4.8382 4.8382 5.0742 5.0742 5.4157 5.4157 7.0574 7.0574 7.4862 7.4862 8.6199 8.6199 8.7966 8.7966 k =-0.5000 0.1685 0.6833 ( 4542 PWs) bands (ev): -11.7717 -11.7717 -11.7708 -11.7708 -11.7497 -11.7497 -11.7472 -11.7472 -9.2410 -9.2410 -9.2305 -9.2305 -9.2064 -9.2064 -9.2042 -9.2042 -9.1737 -9.1737 -9.1688 -9.1688 -5.7993 -5.7993 -5.5268 -5.5268 -1.8339 -1.8339 -1.5213 -1.5213 4.2608 4.2608 4.4959 4.4959 4.5767 4.5767 4.8692 4.8692 5.0339 5.0339 5.4725 5.4725 6.9973 6.9973 7.5559 7.5559 8.6053 8.6053 8.8266 8.8266 k =-0.5000 0.1685 0.6620 ( 4534 PWs) bands (ev): -11.7718 -11.7718 -11.7706 -11.7706 -11.7501 -11.7501 -11.7470 -11.7470 -9.2423 -9.2423 -9.2293 -9.2293 -9.2068 -9.2068 -9.2040 -9.2040 -9.1743 -9.1743 -9.1682 -9.1682 -5.8361 -5.8361 -5.4976 -5.4976 -1.8577 -1.8577 -1.4688 -1.4688 4.2154 4.2154 4.4802 4.4802 4.5482 4.5482 4.8978 4.8978 5.0037 5.0037 5.5244 5.5244 6.9447 6.9447 7.6208 7.6208 8.5989 8.5989 8.8536 8.8536 k =-0.5000 0.1685 0.6406 ( 4538 PWs) bands (ev): -11.7719 -11.7719 -11.7705 -11.7705 -11.7505 -11.7505 -11.7468 -11.7468 -9.2437 -9.2437 -9.2281 -9.2281 -9.2072 -9.2072 -9.2039 -9.2039 -9.1749 -9.1749 -9.1676 -9.1676 -5.8730 -5.8730 -5.4698 -5.4698 -1.8779 -1.8779 -1.4138 -1.4138 4.1686 4.1686 4.4487 4.4487 4.5235 4.5235 4.9235 4.9235 4.9846 4.9846 5.5693 5.5693 6.9015 6.9015 7.6791 7.6791 8.6025 8.6025 8.8780 8.8780 k =-0.5000 0.1685 0.6193 ( 4536 PWs) bands (ev): -11.7720 -11.7720 -11.7704 -11.7704 -11.7509 -11.7509 -11.7467 -11.7467 -9.2450 -9.2450 -9.2268 -9.2268 -9.2077 -9.2077 -9.2038 -9.2038 -9.1755 -9.1755 -9.1670 -9.1670 -5.9099 -5.9099 -5.4437 -5.4437 -1.8945 -1.8945 -1.3565 -1.3565 4.1206 4.1206 4.4101 4.4101 4.4946 4.4946 4.9449 4.9449 4.9777 4.9777 5.6048 5.6048 6.8699 6.8699 7.7291 7.7291 8.6174 8.6174 8.9010 8.9010 k =-0.5000 0.1685 0.5979 ( 4528 PWs) bands (ev): -11.7721 -11.7721 -11.7702 -11.7702 -11.7514 -11.7514 -11.7465 -11.7465 -9.2464 -9.2464 -9.2257 -9.2257 -9.2081 -9.2081 -9.2037 -9.2037 -9.1760 -9.1760 -9.1665 -9.1665 -5.9467 -5.9467 -5.4192 -5.4192 -1.9074 -1.9074 -1.2971 -1.2971 4.0719 4.0719 4.3692 4.3692 4.4592 4.4592 4.9556 4.9556 4.9874 4.9874 5.6287 5.6287 6.8516 6.8516 7.7696 7.7696 8.6449 8.6449 8.9246 8.9246 k =-0.5000 0.1685 0.5766 ( 4532 PWs) bands (ev): -11.7722 -11.7722 -11.7701 -11.7701 -11.7518 -11.7518 -11.7463 -11.7463 -9.2477 -9.2477 -9.2245 -9.2245 -9.2085 -9.2085 -9.2036 -9.2036 -9.1766 -9.1766 -9.1659 -9.1659 -5.9832 -5.9832 -5.3964 -5.3964 -1.9167 -1.9167 -1.2358 -1.2358 4.0225 4.0225 4.3278 4.3278 4.4182 4.4182 4.9580 4.9580 5.0085 5.0085 5.6395 5.6395 6.8477 6.8477 7.8004 7.8004 8.6852 8.6852 8.9508 8.9508 k =-0.5000 0.1685 0.5552 ( 4526 PWs) bands (ev): -11.7723 -11.7723 -11.7700 -11.7700 -11.7523 -11.7523 -11.7462 -11.7462 -9.2491 -9.2491 -9.2234 -9.2234 -9.2090 -9.2090 -9.2035 -9.2035 -9.1771 -9.1771 -9.1654 -9.1654 -6.0192 -6.0192 -5.3754 -5.3754 -1.9225 -1.9225 -1.1728 -1.1728 3.9729 3.9729 4.2868 4.2868 4.3733 4.3733 4.9583 4.9583 5.0326 5.0326 5.6368 5.6368 6.8580 6.8580 7.8225 7.8225 8.7377 8.7377 8.9814 8.9814 k =-0.5000 0.1685 0.5339 ( 4534 PWs) bands (ev): -11.7723 -11.7723 -11.7698 -11.7698 -11.7527 -11.7527 -11.7461 -11.7461 -9.2505 -9.2505 -9.2223 -9.2223 -9.2094 -9.2094 -9.2035 -9.2035 -9.1776 -9.1776 -9.1649 -9.1649 -6.0548 -6.0548 -5.3561 -5.3561 -1.9249 -1.9249 -1.1083 -1.1083 3.9232 3.9232 4.2464 4.2464 4.3262 4.3262 4.9568 4.9568 5.0575 5.0575 5.6211 5.6211 6.8812 6.8812 7.8381 7.8381 8.8007 8.8007 9.0176 9.0176 k =-0.5000 0.1685 0.5125 ( 4542 PWs) bands (ev): -11.7724 -11.7724 -11.7697 -11.7697 -11.7532 -11.7532 -11.7460 -11.7460 -9.2519 -9.2519 -9.2213 -9.2213 -9.2099 -9.2099 -9.2034 -9.2034 -9.1781 -9.1781 -9.1644 -9.1644 -6.0898 -6.0898 -5.3387 -5.3387 -1.9240 -1.9240 -1.0425 -1.0425 3.8736 3.8736 4.2070 4.2070 4.2781 4.2781 4.9530 4.9530 5.0825 5.0825 5.5943 5.5943 6.9145 6.9145 7.8500 7.8500 8.8723 8.8723 9.0604 9.0604 k =-0.5000 0.1685 0.4911 ( 4544 PWs) bands (ev): -11.7725 -11.7725 -11.7696 -11.7696 -11.7537 -11.7537 -11.7459 -11.7459 -9.2532 -9.2532 -9.2203 -9.2203 -9.2103 -9.2103 -9.2034 -9.2034 -9.1786 -9.1786 -9.1639 -9.1639 -6.1240 -6.1240 -5.3230 -5.3230 -1.9199 -1.9199 -0.9756 -0.9756 3.8245 3.8245 4.1684 4.1684 4.2301 4.2301 4.9466 4.9466 5.1069 5.1069 5.5586 5.5586 6.9543 6.9543 7.8616 7.8616 8.9502 8.9502 9.1106 9.1106 k =-0.5000 0.1685 0.4698 ( 4536 PWs) bands (ev): -11.7725 -11.7725 -11.7695 -11.7695 -11.7542 -11.7542 -11.7459 -11.7459 -9.2546 -9.2546 -9.2194 -9.2194 -9.2107 -9.2107 -9.2033 -9.2033 -9.1791 -9.1791 -9.1634 -9.1634 -6.1574 -6.1574 -5.3090 -5.3090 -1.9129 -1.9129 -0.9079 -0.9079 3.7760 3.7760 4.1307 4.1307 4.1828 4.1828 4.9376 4.9376 5.1299 5.1299 5.5167 5.5167 6.9966 6.9966 7.8766 7.8766 9.0320 9.0320 9.1688 9.1688 k =-0.5000 0.1685 0.4484 ( 4534 PWs) bands (ev): -11.7726 -11.7726 -11.7693 -11.7693 -11.7547 -11.7547 -11.7458 -11.7458 -9.2559 -9.2559 -9.2186 -9.2186 -9.2112 -9.2112 -9.2032 -9.2032 -9.1795 -9.1795 -9.1629 -9.1629 -6.1898 -6.1898 -5.2966 -5.2966 -1.9032 -1.9032 -0.8396 -0.8396 3.7284 3.7284 4.0936 4.0936 4.1372 4.1372 4.9260 4.9260 5.1501 5.1501 5.4716 5.4716 7.0375 7.0375 7.8984 7.8984 9.1152 9.1152 9.2358 9.2358 k =-0.5000 0.1685 0.4271 ( 4534 PWs) bands (ev): -11.7726 -11.7726 -11.7692 -11.7692 -11.7552 -11.7552 -11.7458 -11.7458 -9.2573 -9.2573 -9.2178 -9.2178 -9.2116 -9.2116 -9.2031 -9.2031 -9.1799 -9.1799 -9.1625 -9.1625 -6.2213 -6.2213 -5.2859 -5.2859 -1.8909 -1.8909 -0.7711 -0.7711 3.6819 3.6819 4.0565 4.0565 4.0940 4.0940 4.9118 4.9118 5.1657 5.1657 5.4268 5.4268 7.0734 7.0734 7.9303 7.9303 9.1979 9.1979 9.3120 9.3120 k =-0.5000 0.1685 0.4057 ( 4534 PWs) bands (ev): -11.7727 -11.7727 -11.7691 -11.7691 -11.7557 -11.7557 -11.7458 -11.7458 -9.2586 -9.2586 -9.2172 -9.2172 -9.2120 -9.2120 -9.2029 -9.2029 -9.1803 -9.1803 -9.1620 -9.1620 -6.2517 -6.2517 -5.2766 -5.2766 -1.8765 -1.8765 -0.7024 -0.7024 3.6366 3.6366 4.0187 4.0187 4.0544 4.0544 4.8953 4.8953 5.1727 5.1727 5.3875 5.3875 7.1015 7.1015 7.9743 7.9743 9.2789 9.2789 9.3967 9.3967 k =-0.5000 0.1685 0.3844 ( 4534 PWs) bands (ev): -11.7727 -11.7727 -11.7690 -11.7690 -11.7562 -11.7562 -11.7458 -11.7458 -9.2599 -9.2599 -9.2166 -9.2166 -9.2123 -9.2123 -9.2027 -9.2027 -9.1807 -9.1807 -9.1616 -9.1616 -6.2809 -6.2809 -5.2688 -5.2688 -1.8601 -1.8601 -0.6340 -0.6340 3.5926 3.5926 3.9800 3.9800 4.0188 4.0188 4.8764 4.8764 5.1658 5.1658 5.3602 5.3602 7.1207 7.1207 8.0316 8.0316 9.3588 9.3588 9.4883 9.4883 k =-0.5000 0.1685 0.3630 ( 4534 PWs) bands (ev): -11.7727 -11.7727 -11.7688 -11.7688 -11.7567 -11.7567 -11.7458 -11.7458 -9.2611 -9.2611 -9.2161 -9.2161 -9.2127 -9.2127 -9.2025 -9.2025 -9.1810 -9.1810 -9.1612 -9.1612 -6.3089 -6.3089 -5.2622 -5.2622 -1.8421 -1.8421 -0.5662 -0.5662 3.5503 3.5503 3.9411 3.9411 3.9867 3.9867 4.8552 4.8552 5.1418 5.1418 5.3493 5.3493 7.1308 7.1308 8.1018 8.1018 9.4380 9.4380 9.5847 9.5847 k =-0.5000 0.1685 0.3417 ( 4534 PWs) bands (ev): -11.7728 -11.7728 -11.7687 -11.7687 -11.7571 -11.7571 -11.7458 -11.7458 -9.2624 -9.2624 -9.2157 -9.2157 -9.2131 -9.2131 -9.2022 -9.2022 -9.1813 -9.1813 -9.1608 -9.1608 -6.3357 -6.3357 -5.2568 -5.2568 -1.8227 -1.8227 -0.4992 -0.4992 3.5096 3.5096 3.9028 3.9028 3.9575 3.9575 4.8316 4.8316 5.1049 5.1049 5.3515 5.3515 7.1330 7.1330 8.1834 8.1834 9.5171 9.5171 9.6841 9.6841 k =-0.5000 0.1685 0.3203 ( 4524 PWs) bands (ev): -11.7728 -11.7728 -11.7686 -11.7686 -11.7576 -11.7576 -11.7458 -11.7458 -9.2636 -9.2636 -9.2154 -9.2154 -9.2134 -9.2134 -9.2019 -9.2019 -9.1815 -9.1815 -9.1604 -9.1604 -6.3610 -6.3610 -5.2525 -5.2525 -1.8024 -1.8024 -0.4334 -0.4334 3.4708 3.4708 3.8658 3.8658 3.9306 3.9306 4.8053 4.8053 5.0622 5.0622 5.3610 5.3610 7.1290 7.1290 8.2746 8.2746 9.5958 9.5958 9.7852 9.7852 k =-0.5000 0.1685 0.2990 ( 4528 PWs) bands (ev): -11.7728 -11.7728 -11.7685 -11.7685 -11.7581 -11.7581 -11.7458 -11.7458 -9.2647 -9.2647 -9.2152 -9.2152 -9.2137 -9.2137 -9.2016 -9.2016 -9.1818 -9.1818 -9.1601 -9.1601 -6.3850 -6.3850 -5.2491 -5.2491 -1.7813 -1.7813 -0.3692 -0.3692 3.4339 3.4339 3.8304 3.8304 3.9058 3.9058 4.7761 4.7761 5.0188 5.0188 5.3736 5.3736 7.1202 7.1202 8.3735 8.3735 9.6736 9.6736 9.8873 9.8873 k =-0.5000 0.1685 0.2776 ( 4528 PWs) bands (ev): -11.7728 -11.7728 -11.7684 -11.7684 -11.7585 -11.7585 -11.7458 -11.7458 -9.2658 -9.2658 -9.2151 -9.2151 -9.2139 -9.2139 -9.2013 -9.2013 -9.1820 -9.1820 -9.1598 -9.1598 -6.4075 -6.4075 -5.2465 -5.2465 -1.7600 -1.7600 -0.3068 -0.3068 3.3990 3.3990 3.7970 3.7970 3.8830 3.8830 4.7439 4.7439 4.9775 4.9775 5.3873 5.3873 7.1082 7.1082 8.4782 8.4782 9.7499 9.7499 9.9895 9.9895 k =-0.5000 0.1685 0.2563 ( 4520 PWs) bands (ev): -11.7728 -11.7728 -11.7683 -11.7683 -11.7589 -11.7589 -11.7458 -11.7458 -9.2668 -9.2668 -9.2150 -9.2150 -9.2142 -9.2142 -9.2009 -9.2009 -9.1822 -9.1822 -9.1594 -9.1594 -6.4285 -6.4285 -5.2447 -5.2447 -1.7386 -1.7386 -0.2467 -0.2467 3.3664 3.3664 3.7656 3.7656 3.8620 3.8620 4.7086 4.7086 4.9400 4.9400 5.4010 5.4010 7.0941 7.0941 8.5870 8.5870 9.8237 9.8237 10.0913 10.0913 k =-0.5000 0.1685 0.2349 ( 4524 PWs) bands (ev): -11.7728 -11.7728 -11.7683 -11.7683 -11.7593 -11.7593 -11.7459 -11.7459 -9.2678 -9.2678 -9.2150 -9.2150 -9.2144 -9.2144 -9.2006 -9.2006 -9.1823 -9.1823 -9.1592 -9.1592 -6.4480 -6.4480 -5.2434 -5.2434 -1.7175 -1.7175 -0.1894 -0.1894 3.3359 3.3359 3.7364 3.7364 3.8428 3.8428 4.6710 4.6710 4.9071 4.9071 5.4143 5.4143 7.0789 7.0789 8.6985 8.6985 9.8941 9.8941 10.1922 10.1922 k =-0.5000 0.1685 0.2135 ( 4528 PWs) bands (ev): -11.7728 -11.7728 -11.7682 -11.7682 -11.7597 -11.7597 -11.7459 -11.7459 -9.2687 -9.2687 -9.2151 -9.2151 -9.2146 -9.2146 -9.2003 -9.2003 -9.1824 -9.1824 -9.1589 -9.1589 -6.4659 -6.4659 -5.2426 -5.2426 -1.6970 -1.6970 -0.1351 -0.1351 3.3078 3.3078 3.7095 3.7095 3.8254 3.8254 4.6320 4.6320 4.8786 4.8786 5.4267 5.4267 7.0635 7.0635 8.8114 8.8114 9.9601 9.9601 10.2914 10.2914 k =-0.5000 0.1685 0.1922 ( 4528 PWs) bands (ev): -11.7728 -11.7728 -11.7681 -11.7681 -11.7601 -11.7601 -11.7459 -11.7459 -9.2696 -9.2696 -9.2152 -9.2152 -9.2148 -9.2148 -9.1999 -9.1999 -9.1825 -9.1825 -9.1586 -9.1586 -6.4822 -6.4822 -5.2422 -5.2422 -1.6775 -1.6775 -0.0843 -0.0843 3.2821 3.2821 3.6850 3.6850 3.8099 3.8099 4.5927 4.5927 4.8542 4.8542 5.4382 5.4382 7.0482 7.0482 8.9241 8.9241 10.0206 10.0206 10.3883 10.3883 k =-0.5000 0.1685 0.1708 ( 4528 PWs) bands (ev): -11.7728 -11.7728 -11.7681 -11.7681 -11.7604 -11.7604 -11.7459 -11.7459 -9.2704 -9.2704 -9.2153 -9.2153 -9.2149 -9.2149 -9.1996 -9.1996 -9.1826 -9.1826 -9.1584 -9.1584 -6.4968 -6.4968 -5.2421 -5.2421 -1.6591 -1.6591 -0.0374 -0.0374 3.2589 3.2589 3.6629 3.6629 3.7961 3.7961 4.5545 4.5545 4.8334 4.8334 5.4486 5.4486 7.0337 7.0337 9.0355 9.0355 10.0747 10.0747 10.4820 10.4820 k =-0.5000 0.1685 0.1495 ( 4526 PWs) bands (ev): -11.7727 -11.7727 -11.7680 -11.7680 -11.7607 -11.7607 -11.7460 -11.7460 -9.2710 -9.2710 -9.2154 -9.2154 -9.2150 -9.2150 -9.1994 -9.1994 -9.1827 -9.1827 -9.1582 -9.1582 -6.5098 -6.5098 -5.2422 -5.2422 -1.6423 -1.6423 0.0052 0.0052 3.2383 3.2383 3.6433 3.6433 3.7841 3.7841 4.5183 4.5183 4.8157 4.8157 5.4578 5.4578 7.0203 7.0203 9.1438 9.1438 10.1214 10.1214 10.5713 10.5713 k =-0.5000 0.1685 0.1281 ( 4526 PWs) bands (ev): -11.7727 -11.7727 -11.7680 -11.7680 -11.7609 -11.7609 -11.7460 -11.7460 -9.2717 -9.2717 -9.2155 -9.2155 -9.2152 -9.2152 -9.1991 -9.1991 -9.1827 -9.1827 -9.1580 -9.1580 -6.5211 -6.5211 -5.2425 -5.2425 -1.6271 -1.6271 0.0430 0.0430 3.2203 3.2203 3.6262 3.6262 3.7738 3.7738 4.4851 4.4851 4.8008 4.8008 5.4657 5.4657 7.0081 7.0081 9.2474 9.2474 10.1600 10.1600 10.6544 10.6544 k =-0.5000 0.1685 0.1068 ( 4536 PWs) bands (ev): -11.7727 -11.7727 -11.7679 -11.7679 -11.7612 -11.7612 -11.7460 -11.7460 -9.2722 -9.2722 -9.2156 -9.2156 -9.2153 -9.2153 -9.1989 -9.1989 -9.1828 -9.1828 -9.1579 -9.1579 -6.5307 -6.5307 -5.2428 -5.2428 -1.6139 -1.6139 0.0758 0.0758 3.2049 3.2049 3.6117 3.6117 3.7652 3.7652 4.4557 4.4557 4.7885 4.7885 5.4725 5.4725 6.9976 6.9976 9.3441 9.3441 10.1898 10.1898 10.7278 10.7278 k =-0.5000 0.1685 0.0854 ( 4546 PWs) bands (ev): -11.7727 -11.7727 -11.7679 -11.7679 -11.7614 -11.7614 -11.7460 -11.7460 -9.2726 -9.2726 -9.2156 -9.2156 -9.2153 -9.2153 -9.1988 -9.1988 -9.1828 -9.1828 -9.1577 -9.1577 -6.5386 -6.5386 -5.2431 -5.2431 -1.6029 -1.6029 0.1031 0.1031 3.1923 3.1923 3.5997 3.5997 3.7582 3.7582 4.4307 4.4307 4.7786 4.7786 5.4780 5.4780 6.9887 6.9887 9.4313 9.4313 10.2108 10.2108 10.7817 10.7817 k =-0.5000 0.1685 0.0641 ( 4540 PWs) bands (ev): -11.7727 -11.7727 -11.7679 -11.7679 -11.7615 -11.7615 -11.7460 -11.7460 -9.2729 -9.2729 -9.2157 -9.2157 -9.2154 -9.2154 -9.1986 -9.1986 -9.1828 -9.1828 -9.1576 -9.1576 -6.5447 -6.5447 -5.2434 -5.2434 -1.5941 -1.5941 0.1247 0.1247 3.1825 3.1825 3.5904 3.5904 3.7528 3.7528 4.4107 4.4107 4.7710 4.7710 5.4823 5.4823 6.9817 6.9817 9.5057 9.5057 10.2235 10.2235 10.8013 10.8013 k =-0.5000 0.1685 0.0427 ( 4544 PWs) bands (ev): -11.7726 -11.7726 -11.7678 -11.7678 -11.7616 -11.7616 -11.7460 -11.7460 -9.2732 -9.2732 -9.2157 -9.2157 -9.2155 -9.2155 -9.1985 -9.1985 -9.1828 -9.1828 -9.1576 -9.1576 -6.5491 -6.5491 -5.2437 -5.2437 -1.5877 -1.5877 0.1403 0.1403 3.1754 3.1754 3.5838 3.5838 3.7490 3.7490 4.3962 4.3962 4.7655 4.7655 5.4854 5.4854 6.9767 6.9767 9.5635 9.5635 10.2297 10.2297 10.7992 10.7992 k =-0.5000 0.1685 0.0214 ( 4552 PWs) bands (ev): -11.7726 -11.7726 -11.7678 -11.7678 -11.7617 -11.7617 -11.7461 -11.7461 -9.2733 -9.2733 -9.2158 -9.2158 -9.2155 -9.2155 -9.1985 -9.1985 -9.1828 -9.1828 -9.1575 -9.1575 -6.5517 -6.5517 -5.2438 -5.2438 -1.5839 -1.5839 0.1497 0.1497 3.1711 3.1711 3.5798 3.5798 3.7468 3.7468 4.3873 4.3873 4.7623 4.7623 5.4872 5.4872 6.9736 6.9736 9.6005 9.6005 10.2317 10.2317 10.7941 10.7941 k =-0.5000 0.1685 0.0000 ( 4558 PWs) bands (ev): -11.7726 -11.7726 -11.7678 -11.7678 -11.7617 -11.7617 -11.7461 -11.7461 -9.2734 -9.2734 -9.2158 -9.2158 -9.2155 -9.2155 -9.1985 -9.1985 -9.1828 -9.1828 -9.1575 -9.1575 -6.5526 -6.5526 -5.2439 -5.2439 -1.5826 -1.5826 0.1529 0.1529 3.1697 3.1697 3.5784 3.5784 3.7460 3.7460 4.3843 4.3843 4.7612 4.7612 5.4878 5.4878 6.9726 6.9726 9.6133 9.6133 10.2320 10.2320 10.7920 10.7920 k = 0.0000 0.0000 0.7688 ( 4510 PWs) bands (ev): -11.7699 -11.7699 -11.7699 -11.7699 -11.7501 -11.7501 -11.7501 -11.7501 -9.2356 -9.2356 -9.2356 -9.2356 -9.2035 -9.2035 -9.2035 -9.2035 -9.1754 -9.1754 -9.1754 -9.1754 -5.6767 -5.6767 -5.6767 -5.6767 -1.5108 -1.5108 -1.5108 -1.5108 3.5344 3.5344 3.5344 3.5344 4.7757 4.7757 4.7757 4.7757 5.4115 5.4115 5.4115 5.4115 7.3481 7.3481 7.3481 7.3481 8.7652 8.7652 8.7652 8.7652 k =-0.0200 0.0067 0.7688 ( 4514 PWs) bands (ev): -11.7699 -11.7699 -11.7699 -11.7699 -11.7501 -11.7501 -11.7501 -11.7501 -9.2356 -9.2356 -9.2356 -9.2356 -9.2035 -9.2035 -9.2035 -9.2035 -9.1754 -9.1754 -9.1754 -9.1754 -5.6766 -5.6766 -5.6766 -5.6766 -1.5116 -1.5116 -1.5116 -1.5116 3.5373 3.5373 3.5373 3.5373 4.7755 4.7755 4.7755 4.7755 5.4110 5.4110 5.4110 5.4110 7.3485 7.3485 7.3485 7.3485 8.7657 8.7657 8.7657 8.7657 k =-0.0400 0.0135 0.7688 ( 4514 PWs) bands (ev): -11.7699 -11.7699 -11.7699 -11.7699 -11.7501 -11.7501 -11.7501 -11.7501 -9.2356 -9.2356 -9.2356 -9.2356 -9.2036 -9.2036 -9.2036 -9.2036 -9.1754 -9.1754 -9.1754 -9.1754 -5.6764 -5.6764 -5.6764 -5.6764 -1.5140 -1.5140 -1.5140 -1.5140 3.5458 3.5458 3.5458 3.5458 4.7749 4.7749 4.7749 4.7749 5.4094 5.4094 5.4094 5.4094 7.3498 7.3498 7.3498 7.3498 8.7670 8.7670 8.7670 8.7670 k =-0.0600 0.0202 0.7688 ( 4510 PWs) bands (ev): -11.7699 -11.7699 -11.7699 -11.7699 -11.7500 -11.7500 -11.7500 -11.7500 -9.2356 -9.2356 -9.2356 -9.2356 -9.2036 -9.2036 -9.2036 -9.2036 -9.1753 -9.1753 -9.1753 -9.1753 -5.6760 -5.6760 -5.6760 -5.6760 -1.5180 -1.5180 -1.5180 -1.5180 3.5600 3.5600 3.5600 3.5600 4.7739 4.7739 4.7739 4.7739 5.4068 5.4068 5.4068 5.4068 7.3517 7.3517 7.3517 7.3517 8.7690 8.7690 8.7690 8.7690 k =-0.0800 0.0270 0.7688 ( 4522 PWs) bands (ev): -11.7700 -11.7700 -11.7700 -11.7700 -11.7500 -11.7500 -11.7500 -11.7500 -9.2356 -9.2356 -9.2356 -9.2356 -9.2036 -9.2036 -9.2036 -9.2036 -9.1752 -9.1752 -9.1752 -9.1752 -5.6755 -5.6755 -5.6755 -5.6755 -1.5234 -1.5234 -1.5234 -1.5234 3.5797 3.5797 3.5797 3.5797 4.7725 4.7725 4.7725 4.7725 5.4033 5.4033 5.4033 5.4033 7.3543 7.3543 7.3543 7.3543 8.7717 8.7717 8.7717 8.7717 k =-0.1000 0.0337 0.7688 ( 4528 PWs) bands (ev): -11.7700 -11.7700 -11.7700 -11.7700 -11.7499 -11.7499 -11.7499 -11.7499 -9.2356 -9.2356 -9.2356 -9.2356 -9.2037 -9.2037 -9.2037 -9.2037 -9.1750 -9.1750 -9.1750 -9.1750 -5.6748 -5.6748 -5.6748 -5.6748 -1.5302 -1.5302 -1.5302 -1.5302 3.6046 3.6046 3.6046 3.6046 4.7708 4.7708 4.7708 4.7708 5.3988 5.3988 5.3988 5.3988 7.3572 7.3572 7.3572 7.3572 8.7749 8.7749 8.7749 8.7749 k =-0.1200 0.0404 0.7688 ( 4532 PWs) bands (ev): -11.7701 -11.7701 -11.7701 -11.7701 -11.7498 -11.7498 -11.7498 -11.7498 -9.2356 -9.2356 -9.2356 -9.2356 -9.2038 -9.2038 -9.2038 -9.2038 -9.1748 -9.1748 -9.1748 -9.1748 -5.6740 -5.6740 -5.6740 -5.6740 -1.5383 -1.5383 -1.5383 -1.5383 3.6346 3.6346 3.6346 3.6346 4.7687 4.7687 4.7687 4.7687 5.3934 5.3934 5.3934 5.3934 7.3605 7.3605 7.3605 7.3605 8.7783 8.7783 8.7783 8.7783 k =-0.1400 0.0472 0.7688 ( 4536 PWs) bands (ev): -11.7702 -11.7702 -11.7702 -11.7702 -11.7498 -11.7498 -11.7498 -11.7498 -9.2356 -9.2356 -9.2356 -9.2356 -9.2039 -9.2039 -9.2039 -9.2039 -9.1746 -9.1746 -9.1746 -9.1746 -5.6730 -5.6730 -5.6730 -5.6730 -1.5475 -1.5475 -1.5475 -1.5475 3.6693 3.6693 3.6693 3.6693 4.7664 4.7664 4.7664 4.7664 5.3872 5.3872 5.3872 5.3872 7.3637 7.3637 7.3637 7.3637 8.7818 8.7818 8.7818 8.7818 k =-0.1600 0.0539 0.7688 ( 4528 PWs) bands (ev): -11.7702 -11.7702 -11.7702 -11.7702 -11.7497 -11.7497 -11.7497 -11.7497 -9.2356 -9.2356 -9.2356 -9.2356 -9.2039 -9.2039 -9.2039 -9.2039 -9.1744 -9.1744 -9.1744 -9.1744 -5.6720 -5.6720 -5.6720 -5.6720 -1.5576 -1.5576 -1.5576 -1.5576 3.7084 3.7084 3.7084 3.7084 4.7638 4.7638 4.7638 4.7638 5.3802 5.3802 5.3802 5.3802 7.3666 7.3666 7.3666 7.3666 8.7850 8.7850 8.7850 8.7850 k =-0.1800 0.0607 0.7688 ( 4528 PWs) bands (ev): -11.7703 -11.7703 -11.7703 -11.7703 -11.7496 -11.7496 -11.7496 -11.7496 -9.2356 -9.2356 -9.2356 -9.2356 -9.2040 -9.2040 -9.2040 -9.2040 -9.1742 -9.1742 -9.1742 -9.1742 -5.6709 -5.6709 -5.6709 -5.6709 -1.5685 -1.5685 -1.5685 -1.5685 3.7514 3.7514 3.7514 3.7514 4.7610 4.7610 4.7610 4.7610 5.3725 5.3725 5.3725 5.3725 7.3689 7.3689 7.3689 7.3689 8.7875 8.7875 8.7875 8.7875 k =-0.2000 0.0674 0.7688 ( 4528 PWs) bands (ev): -11.7704 -11.7704 -11.7704 -11.7704 -11.7495 -11.7495 -11.7495 -11.7495 -9.2356 -9.2356 -9.2356 -9.2356 -9.2041 -9.2041 -9.2041 -9.2041 -9.1739 -9.1739 -9.1739 -9.1739 -5.6697 -5.6697 -5.6697 -5.6697 -1.5800 -1.5800 -1.5800 -1.5800 3.7980 3.7980 3.7980 3.7980 4.7581 4.7581 4.7581 4.7581 5.3641 5.3641 5.3641 5.3641 7.3703 7.3703 7.3703 7.3703 8.7891 8.7891 8.7891 8.7891 k =-0.2200 0.0741 0.7688 ( 4530 PWs) bands (ev): -11.7705 -11.7705 -11.7705 -11.7705 -11.7493 -11.7493 -11.7493 -11.7493 -9.2356 -9.2356 -9.2356 -9.2356 -9.2042 -9.2042 -9.2042 -9.2042 -9.1737 -9.1737 -9.1737 -9.1737 -5.6685 -5.6685 -5.6685 -5.6685 -1.5918 -1.5918 -1.5918 -1.5918 3.8475 3.8475 3.8475 3.8475 4.7551 4.7551 4.7551 4.7551 5.3552 5.3552 5.3552 5.3552 7.3706 7.3706 7.3706 7.3706 8.7894 8.7894 8.7894 8.7894 k =-0.2400 0.0809 0.7688 ( 4536 PWs) bands (ev): -11.7706 -11.7706 -11.7706 -11.7706 -11.7492 -11.7492 -11.7492 -11.7492 -9.2356 -9.2356 -9.2356 -9.2356 -9.2043 -9.2043 -9.2043 -9.2043 -9.1734 -9.1734 -9.1734 -9.1734 -5.6672 -5.6672 -5.6672 -5.6672 -1.6039 -1.6039 -1.6039 -1.6039 3.8995 3.8995 3.8995 3.8995 4.7520 4.7520 4.7520 4.7520 5.3458 5.3458 5.3458 5.3458 7.3693 7.3693 7.3693 7.3693 8.7882 8.7882 8.7882 8.7882 k =-0.2600 0.0876 0.7688 ( 4546 PWs) bands (ev): -11.7706 -11.7706 -11.7706 -11.7706 -11.7491 -11.7491 -11.7491 -11.7491 -9.2356 -9.2356 -9.2356 -9.2356 -9.2044 -9.2044 -9.2044 -9.2044 -9.1731 -9.1731 -9.1731 -9.1731 -5.6659 -5.6659 -5.6659 -5.6659 -1.6159 -1.6159 -1.6159 -1.6159 3.9533 3.9533 3.9533 3.9533 4.7490 4.7490 4.7490 4.7490 5.3359 5.3359 5.3359 5.3359 7.3663 7.3663 7.3663 7.3663 8.7851 8.7851 8.7851 8.7851 k =-0.2800 0.0943 0.7688 ( 4544 PWs) bands (ev): -11.7707 -11.7707 -11.7707 -11.7707 -11.7490 -11.7490 -11.7490 -11.7490 -9.2356 -9.2356 -9.2356 -9.2356 -9.2045 -9.2045 -9.2045 -9.2045 -9.1729 -9.1729 -9.1729 -9.1729 -5.6647 -5.6647 -5.6647 -5.6647 -1.6278 -1.6278 -1.6278 -1.6278 4.0081 4.0081 4.0081 4.0081 4.7461 4.7461 4.7461 4.7461 5.3257 5.3257 5.3257 5.3257 7.3615 7.3615 7.3615 7.3615 8.7801 8.7801 8.7801 8.7801 k =-0.3000 0.1011 0.7688 ( 4548 PWs) bands (ev): -11.7708 -11.7708 -11.7708 -11.7708 -11.7489 -11.7489 -11.7489 -11.7489 -9.2356 -9.2356 -9.2356 -9.2356 -9.2046 -9.2046 -9.2046 -9.2046 -9.1726 -9.1726 -9.1726 -9.1726 -5.6634 -5.6634 -5.6634 -5.6634 -1.6393 -1.6393 -1.6393 -1.6393 4.0633 4.0633 4.0633 4.0633 4.7432 4.7432 4.7432 4.7432 5.3151 5.3151 5.3151 5.3151 7.3548 7.3548 7.3548 7.3548 8.7733 8.7733 8.7733 8.7733 k =-0.3200 0.1078 0.7688 ( 4546 PWs) bands (ev): -11.7709 -11.7709 -11.7709 -11.7709 -11.7488 -11.7488 -11.7488 -11.7488 -9.2356 -9.2356 -9.2356 -9.2356 -9.2047 -9.2047 -9.2047 -9.2047 -9.1724 -9.1724 -9.1724 -9.1724 -5.6622 -5.6622 -5.6622 -5.6622 -1.6503 -1.6503 -1.6503 -1.6503 4.1180 4.1180 4.1180 4.1180 4.7406 4.7406 4.7406 4.7406 5.3044 5.3044 5.3044 5.3044 7.3462 7.3462 7.3462 7.3462 8.7648 8.7648 8.7648 8.7648 k =-0.3400 0.1146 0.7688 ( 4562 PWs) bands (ev): -11.7710 -11.7710 -11.7710 -11.7710 -11.7487 -11.7487 -11.7487 -11.7487 -9.2357 -9.2357 -9.2357 -9.2357 -9.2048 -9.2048 -9.2048 -9.2048 -9.1722 -9.1722 -9.1722 -9.1722 -5.6611 -5.6611 -5.6611 -5.6611 -1.6606 -1.6606 -1.6606 -1.6606 4.1713 4.1713 4.1713 4.1713 4.7383 4.7383 4.7383 4.7383 5.2936 5.2936 5.2936 5.2936 7.3360 7.3360 7.3360 7.3360 8.7552 8.7552 8.7552 8.7552 k =-0.3600 0.1213 0.7688 ( 4558 PWs) bands (ev): -11.7710 -11.7710 -11.7710 -11.7710 -11.7486 -11.7486 -11.7486 -11.7486 -9.2357 -9.2357 -9.2357 -9.2357 -9.2049 -9.2049 -9.2049 -9.2049 -9.1720 -9.1720 -9.1720 -9.1720 -5.6600 -5.6600 -5.6600 -5.6600 -1.6701 -1.6701 -1.6701 -1.6701 4.2222 4.2222 4.2222 4.2222 4.7362 4.7362 4.7362 4.7362 5.2828 5.2828 5.2828 5.2828 7.3247 7.3247 7.3247 7.3247 8.7448 8.7448 8.7448 8.7448 k =-0.3800 0.1280 0.7688 ( 4558 PWs) bands (ev): -11.7711 -11.7711 -11.7711 -11.7711 -11.7486 -11.7486 -11.7486 -11.7486 -9.2357 -9.2357 -9.2357 -9.2357 -9.2049 -9.2049 -9.2049 -9.2049 -9.1718 -9.1718 -9.1718 -9.1718 -5.6591 -5.6591 -5.6591 -5.6591 -1.6785 -1.6785 -1.6785 -1.6785 4.2696 4.2696 4.2696 4.2696 4.7345 4.7345 4.7345 4.7345 5.2724 5.2724 5.2724 5.2724 7.3126 7.3126 7.3126 7.3126 8.7344 8.7344 8.7344 8.7344 k =-0.4000 0.1348 0.7688 ( 4562 PWs) bands (ev): -11.7711 -11.7711 -11.7711 -11.7711 -11.7485 -11.7485 -11.7485 -11.7485 -9.2357 -9.2357 -9.2357 -9.2357 -9.2050 -9.2050 -9.2050 -9.2050 -9.1716 -9.1716 -9.1716 -9.1716 -5.6583 -5.6583 -5.6583 -5.6583 -1.6859 -1.6859 -1.6859 -1.6859 4.3125 4.3125 4.3125 4.3125 4.7331 4.7331 4.7331 4.7331 5.2625 5.2625 5.2625 5.2625 7.3006 7.3006 7.3006 7.3006 8.7245 8.7245 8.7245 8.7245 k =-0.4200 0.1415 0.7688 ( 4564 PWs) bands (ev): -11.7712 -11.7712 -11.7712 -11.7712 -11.7484 -11.7484 -11.7484 -11.7484 -9.2357 -9.2357 -9.2357 -9.2357 -9.2050 -9.2050 -9.2050 -9.2050 -9.1715 -9.1715 -9.1715 -9.1715 -5.6576 -5.6576 -5.6576 -5.6576 -1.6920 -1.6920 -1.6920 -1.6920 4.3496 4.3496 4.3496 4.3496 4.7321 4.7321 4.7321 4.7321 5.2535 5.2535 5.2535 5.2535 7.2893 7.2893 7.2893 7.2893 8.7157 8.7157 8.7157 8.7157 k =-0.4400 0.1483 0.7688 ( 4560 PWs) bands (ev): -11.7712 -11.7712 -11.7712 -11.7712 -11.7484 -11.7484 -11.7484 -11.7484 -9.2357 -9.2357 -9.2357 -9.2357 -9.2050 -9.2050 -9.2050 -9.2050 -9.1714 -9.1714 -9.1714 -9.1714 -5.6570 -5.6570 -5.6570 -5.6570 -1.6969 -1.6969 -1.6969 -1.6969 4.3799 4.3799 4.3799 4.3799 4.7315 4.7315 4.7315 4.7315 5.2458 5.2458 5.2458 5.2458 7.2796 7.2796 7.2796 7.2796 8.7083 8.7083 8.7083 8.7083 k =-0.4600 0.1550 0.7688 ( 4572 PWs) bands (ev): -11.7712 -11.7712 -11.7712 -11.7712 -11.7484 -11.7484 -11.7484 -11.7484 -9.2357 -9.2357 -9.2357 -9.2357 -9.2051 -9.2051 -9.2051 -9.2051 -9.1713 -9.1713 -9.1713 -9.1713 -5.6566 -5.6566 -5.6566 -5.6566 -1.7004 -1.7004 -1.7004 -1.7004 4.4023 4.4023 4.4023 4.4023 4.7311 4.7311 4.7311 4.7311 5.2399 5.2399 5.2399 5.2399 7.2721 7.2721 7.2721 7.2721 8.7029 8.7029 8.7029 8.7029 k =-0.4800 0.1617 0.7688 ( 4568 PWs) bands (ev): -11.7713 -11.7713 -11.7713 -11.7713 -11.7483 -11.7483 -11.7483 -11.7483 -9.2357 -9.2357 -9.2357 -9.2357 -9.2051 -9.2051 -9.2051 -9.2051 -9.1713 -9.1713 -9.1713 -9.1713 -5.6564 -5.6564 -5.6564 -5.6564 -1.7026 -1.7026 -1.7026 -1.7026 4.4161 4.4161 4.4161 4.4161 4.7310 4.7310 4.7310 4.7310 5.2362 5.2362 5.2362 5.2362 7.2673 7.2673 7.2673 7.2673 8.6995 8.6995 8.6995 8.6995 k =-0.5000 0.1685 0.7688 ( 4568 PWs) bands (ev): -11.7713 -11.7713 -11.7713 -11.7713 -11.7483 -11.7483 -11.7483 -11.7483 -9.2357 -9.2357 -9.2357 -9.2357 -9.2051 -9.2051 -9.2051 -9.2051 -9.1712 -9.1712 -9.1712 -9.1712 -5.6563 -5.6563 -5.6563 -5.6563 -1.7033 -1.7033 -1.7033 -1.7033 4.4208 4.4208 4.4208 4.4208 4.7309 4.7309 4.7309 4.7309 5.2349 5.2349 5.2349 5.2349 7.2657 7.2657 7.2657 7.2657 8.6983 8.6983 8.6983 8.6983 Writing output data file PbS.save init_run : 0.31s CPU 0.44s WALL ( 1 calls) electrons : 197.48s CPU 199.92s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 197.48s CPU 199.92s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 380 calls) cegterg : 177.73s CPU 179.57s WALL ( 445 calls) Called by sum_band: Called by *egterg: h_psi : 128.93s CPU 130.43s WALL ( 7675 calls) s_psi : 4.82s CPU 4.98s WALL ( 7675 calls) g_psi : 0.23s CPU 0.24s WALL ( 6850 calls) cdiaghg : 43.11s CPU 43.50s WALL ( 7230 calls) cegterg:over : 5.62s CPU 5.60s WALL ( 6850 calls) cegterg:upda : 4.55s CPU 4.72s WALL ( 6850 calls) cegterg:last : 2.72s CPU 2.63s WALL ( 1205 calls) cdiaghg:chol : 2.55s CPU 2.46s WALL ( 7230 calls) cdiaghg:inve : 1.56s CPU 1.58s WALL ( 7230 calls) cdiaghg:para : 2.54s CPU 2.46s WALL ( 14460 calls) Called by h_psi: h_psi:vloc : 117.59s CPU 118.98s WALL ( 7675 calls) h_psi:vnl : 11.15s CPU 11.23s WALL ( 7675 calls) add_vuspsi : 5.62s CPU 5.79s WALL ( 7675 calls) General routines calbec : 5.50s CPU 5.42s WALL ( 7675 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 110.80s CPU 112.18s WALL ( 748436 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.24s WALL ( 760 calls) Parallel routines fft_scatter : 27.10s CPU 27.59s WALL ( 748459 calls) PWSCF : 3m35.64s CPU 4m 0.24s WALL This run was terminated on: 21: 8:52 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=